USER MOD reduce.3.24.130724 H: found=0, std=0, add=2093, rem=0, adj=77 USER MOD reduce.3.24.130724 removed 2093 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 99 ASN : amide:sc= 0.2 K(o=-0.41,f=-5.2!) USER MOD Set 1.2: B 117 HIS : no HD1:sc= -0.613! C(o=-0.41!,f=-10!) USER MOD Set 2.1: B 109 SER OG : rot 104:sc= 2.12 USER MOD Set 2.2: B 110 CYS SG : rot 72:sc= -2.25! USER MOD Set 2.3: B 111 LYS NZ :NH3+ 174:sc= 2.19 (180deg=1.06) USER MOD Set 3.1: B 88 ASN : amide:sc= -0.339 K(o=0.55,f=-0.93) USER MOD Set 3.2: B 90 TYR OH : rot 180:sc= 0.891 USER MOD Set 4.1: B 85 ASN : amide:sc= 0.0486 K(o=2,f=-15!) USER MOD Set 4.2: B 121 LYS NZ :NH3+ -145:sc= 1.92 (180deg=-2.28!) USER MOD Set 5.1: B 69 SER OG : rot 86:sc= 1.1 USER MOD Set 5.2: B 70 GLN : amide:sc= -0.172 X(o=0.93,f=0.88) USER MOD Set 6.1: B 51 SER OG : rot -160:sc= 0.764 USER MOD Set 6.2: B 56 GLN : amide:sc= -3.75! C(o=-3!,f=-14!) USER MOD Set 7.1: B 33 GLN : amide:sc= 0.985 K(o=-0.85,f=-3.9) USER MOD Set 7.2: B 36 GLN : amide:sc= -2.82! C(o=-0.85!,f=-3.9!) USER MOD Set 7.3: B 54 THR OG1 : rot 11:sc= 0.99 USER MOD Set 8.1: B 43 SER OG : rot 159:sc= 0.817 USER MOD Set 8.2: B 48 TYR OH : rot 13:sc= 0.0415 USER MOD Set 9.1: B 5 LYS NZ :NH3+ 149:sc= 1.85 (180deg=-0.028) USER MOD Set 9.2: B 38 GLN : amide:sc= 1.11 K(o=4.8,f=-18!) USER MOD Set 9.3: B 40 SER OG : rot -10:sc= 1.84 USER MOD Set10.1: B 1 TYR OH : rot 130:sc= 0.621 USER MOD Set10.2: B 3 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0) USER MOD Set11.1: B 1 TYR N :NH3+ -166:sc= 1.67 (180deg=0.757) USER MOD Set11.2: B 132 SER OG : rot -150:sc= 0.106! USER MOD Set12.1: A 124 GLN : amide:sc= 2.64 K(o=4,f=-23!) USER MOD Set12.2: B 105 LYS NZ :NH3+ -179:sc= 1.69 (180deg=0.874) USER MOD Set12.3: B 107 ASN : amide:sc= -0.288 K(o=4,f=-2.3!) USER MOD Set13.1: A 70 GLN : amide:sc= -0.657 K(o=0.34,f=1.4) USER MOD Set13.2: A 72 THR OG1 : rot 180:sc= 0.995 USER MOD Set14.1: A 41 TYR OH : rot 51:sc= 1.05 USER MOD Set14.2: A 43 LYS NZ :NH3+ -160:sc= 0.193 (180deg=0) USER MOD Set15.1: A 25 GLN : amide:sc= -0.687 K(o=-0.88,f=-3.4) USER MOD Set15.2: A 64 ASN : amide:sc= -0.197 K(o=-0.88,f=-7.2!) USER MOD Single : A 1 GLU N :NH3+ -124:sc= 1.11 (180deg=-1.08) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.6) USER MOD Single : A 8 TYR OH : rot -29:sc= 1.45 USER MOD Single : A 9 SER OG : rot 47:sc= 0.00175 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 1.07 K(o=1.1,f=-0.045) USER MOD Single : A 16 ASN : amide:sc= -5.61! C(o=-5.6!,f=-18!) USER MOD Single : A 17 ASN : amide:sc= -2.73! C(o=-2.7!,f=-7.9!) USER MOD Single : A 18 GLN : amide:sc= -5.06! C(o=-5.1!,f=-10!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -74:sc= 1.19 USER MOD Single : A 38 SER OG : rot 146:sc= -1.01! USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= -0.0174 (180deg=-0.145) USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= 1.19 (180deg=0.403) USER MOD Single : A 52 LYS NZ :NH3+ 140:sc= 0.345 (180deg=-0.406!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -81:sc= 0.865 USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 1.25 (180deg=-0.431) USER MOD Single : A 59 HIS : no HE2:sc= 0.666 K(o=0.73,f=-8!) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 2.58 (180deg=2.32) USER MOD Single : A 62 THR OG1 : rot 170:sc= 0.108 USER MOD Single : A 68 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.28) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= -0.0028 (180deg=-0.0707) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.11 USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 2.12 (180deg=2.07) USER MOD Single : A 84 THR OG1 : rot 143:sc= 1.2 USER MOD Single : A 87 MET CE :methyl 161:sc= -1.71! (180deg=-3.04!) USER MOD Single : A 90 TYR OH : rot -39:sc= -0.435! USER MOD Single : A 96 SER OG : rot 61:sc= 1.06 USER MOD Single : A 97 LYS NZ :NH3+ -169:sc=-0.000426 (180deg=-0.0951) USER MOD Single : A 98 HIS : no HE2:sc= 0.32 K(o=0.32,f=-5.2!) USER MOD Single : A 105 LYS NZ :NH3+ 166:sc= 2.58 (180deg=1.89) USER MOD Single : A 108 MET CE :methyl 176:sc= -6.77! (180deg=-6.88!) USER MOD Single : A 109 ASN : amide:sc= -0.0856 K(o=-0.086,f=-6.2!) USER MOD Single : A 110 THR OG1 : rot 146:sc= -0.888 USER MOD Single : A 115 HIS : no HD1:sc= -0.768 K(o=-0.77,f=-1.4) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -90:sc= 0.179 USER MOD Single : A 128 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.354) USER MOD Single : B 2 LYS NZ :NH3+ -171:sc= 1.09 (180deg=0.975) USER MOD Single : B 8 TYR OH : rot 180:sc= -1.02 USER MOD Single : B 9 CYS SG : rot 74:sc= -6.64! USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 ASN : amide:sc= -0.391 K(o=-0.39,f=-9.5!) USER MOD Single : B 14 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-9.1!) USER MOD Single : B 23 THR OG1 : rot 86:sc= 1.21 USER MOD Single : B 27 THR OG1 : rot -1:sc= -0.174! USER MOD Single : B 31 SER OG : rot 63:sc= 1.21 USER MOD Single : B 34 HIS : no HE2:sc= 0.745 K(o=0.75,f=-6.4!) USER MOD Single : B 50 LYS NZ :NH3+ 153:sc= 1.26 (180deg=0.963) USER MOD Single : B 52 THR OG1 : rot 103:sc= 0.907 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl -147:sc= -3.37! (180deg=-7.43!) USER MOD Single : B 62 THR OG1 : rot 29:sc= 0.715 USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.014 USER MOD Single : B 73 ASN : amide:sc= -0.0908 K(o=-0.091,f=-5!) USER MOD Single : B 76 CYS SG : rot -30:sc= -0.385 USER MOD Single : B 86 HIS : no HE2:sc= 0.049 K(o=0.049,f=-5.3!) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 THR OG1 : rot 74:sc= 1.03 USER MOD Single : B 92 SER OG : rot 141:sc= 1.13 USER MOD Single : B 93 LYS NZ :NH3+ 151:sc= 1.09 (180deg=0.769) USER MOD Single : B 94 LYS NZ :NH3+ -160:sc= 2.19 (180deg=1.9) USER MOD Single : B 95 HIS : no HE2:sc= -4.57! C(o=-2.7!,f=-15!) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 LYS NZ :NH3+ 180:sc= 2.23 (180deg=2.23) USER MOD Single : B 116 THR OG1 : rot 174:sc= -0.938 USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 GLN : amide:sc= -0.465 K(o=-0.46,f=-4!) USER MOD Single : B 131 SER OG : rot 180:sc= 0.0603 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -2.729 -8.875 -8.875 1.00 1.27 N ATOM 2 CA GLU A 1 -4.015 -9.338 -8.293 1.00 1.19 C ATOM 3 C GLU A 1 -5.191 -8.810 -9.120 1.00 1.13 C ATOM 4 O GLU A 1 -4.989 -8.051 -10.072 1.00 1.23 O ATOM 5 CB GLU A 1 -4.139 -8.885 -6.829 1.00 1.29 C ATOM 6 CG GLU A 1 -3.095 -9.498 -5.898 1.00 1.33 C ATOM 7 CD GLU A 1 -1.780 -8.735 -5.884 1.00 1.34 C ATOM 8 OE1 GLU A 1 -1.537 -7.934 -6.817 1.00 1.58 O ATOM 9 OE2 GLU A 1 -0.987 -8.921 -4.937 1.00 1.78 O ATOM 0 H1 GLU A 1 -2.126 -9.697 -9.082 1.00 1.27 H new ATOM 0 H2 GLU A 1 -2.914 -8.351 -9.754 1.00 1.27 H new ATOM 0 H3 GLU A 1 -2.245 -8.253 -8.197 1.00 1.27 H new ATOM 0 HA GLU A 1 -4.035 -10.428 -8.316 1.00 1.19 H new ATOM 0 HB2 GLU A 1 -4.055 -7.799 -6.787 1.00 1.29 H new ATOM 0 HB3 GLU A 1 -5.133 -9.142 -6.463 1.00 1.29 H new ATOM 0 HG2 GLU A 1 -3.497 -9.534 -4.886 1.00 1.33 H new ATOM 0 HG3 GLU A 1 -2.907 -10.528 -6.202 1.00 1.33 H new ATOM 18 N LYS A 2 -6.413 -9.209 -8.765 1.00 1.06 N ATOM 19 CA LYS A 2 -7.605 -8.767 -9.491 1.00 1.06 C ATOM 20 C LYS A 2 -8.855 -8.843 -8.609 1.00 1.00 C ATOM 21 O LYS A 2 -9.257 -9.924 -8.175 1.00 1.09 O ATOM 22 CB LYS A 2 -7.808 -9.594 -10.780 1.00 1.15 C ATOM 23 CG LYS A 2 -7.319 -11.042 -10.710 1.00 1.28 C ATOM 24 CD LYS A 2 -8.198 -11.917 -9.822 1.00 1.45 C ATOM 25 CE LYS A 2 -9.663 -11.901 -10.253 1.00 1.55 C ATOM 26 NZ LYS A 2 -9.872 -12.563 -11.568 1.00 1.60 N ATOM 0 H LYS A 2 -6.603 -9.835 -7.982 1.00 1.06 H new ATOM 0 HA LYS A 2 -7.448 -7.725 -9.770 1.00 1.06 H new ATOM 0 HB2 LYS A 2 -8.870 -9.598 -11.027 1.00 1.15 H new ATOM 0 HB3 LYS A 2 -7.292 -9.093 -11.599 1.00 1.15 H new ATOM 0 HG2 LYS A 2 -7.293 -11.462 -11.716 1.00 1.28 H new ATOM 0 HG3 LYS A 2 -6.297 -11.058 -10.332 1.00 1.28 H new ATOM 0 HD2 LYS A 2 -7.827 -12.942 -9.845 1.00 1.45 H new ATOM 0 HD3 LYS A 2 -8.122 -11.574 -8.790 1.00 1.45 H new ATOM 0 HE2 LYS A 2 -10.267 -12.402 -9.497 1.00 1.55 H new ATOM 0 HE3 LYS A 2 -10.012 -10.870 -10.308 1.00 1.55 H new ATOM 0 HZ1 LYS A 2 -10.881 -12.527 -11.818 1.00 1.60 H new ATOM 0 HZ2 LYS A 2 -9.317 -12.071 -12.297 1.00 1.60 H new ATOM 0 HZ3 LYS A 2 -9.565 -13.555 -11.510 1.00 1.60 H new ATOM 40 N LEU A 3 -9.438 -7.691 -8.313 1.00 0.93 N ATOM 41 CA LEU A 3 -10.643 -7.631 -7.492 1.00 0.89 C ATOM 42 C LEU A 3 -11.833 -7.086 -8.296 1.00 0.92 C ATOM 43 O LEU A 3 -12.975 -7.147 -7.839 1.00 1.07 O ATOM 44 CB LEU A 3 -10.390 -6.769 -6.247 1.00 0.81 C ATOM 45 CG LEU A 3 -11.614 -6.520 -5.355 1.00 0.78 C ATOM 46 CD1 LEU A 3 -12.007 -7.785 -4.614 1.00 0.85 C ATOM 47 CD2 LEU A 3 -11.344 -5.388 -4.377 1.00 0.73 C ATOM 0 H LEU A 3 -9.097 -6.783 -8.628 1.00 0.93 H new ATOM 0 HA LEU A 3 -10.893 -8.643 -7.174 1.00 0.89 H new ATOM 0 HB2 LEU A 3 -9.616 -7.247 -5.647 1.00 0.81 H new ATOM 0 HB3 LEU A 3 -9.994 -5.805 -6.568 1.00 0.81 H new ATOM 0 HG LEU A 3 -12.447 -6.228 -5.995 1.00 0.78 H new ATOM 0 HD11 LEU A 3 -12.877 -7.585 -3.988 1.00 0.85 H new ATOM 0 HD12 LEU A 3 -12.250 -8.567 -5.333 1.00 0.85 H new ATOM 0 HD13 LEU A 3 -11.177 -8.113 -3.988 1.00 0.85 H new ATOM 0 HD21 LEU A 3 -12.224 -5.228 -3.754 1.00 0.73 H new ATOM 0 HD22 LEU A 3 -10.495 -5.648 -3.745 1.00 0.73 H new ATOM 0 HD23 LEU A 3 -11.119 -4.476 -4.929 1.00 0.73 H new ATOM 59 N GLY A 4 -11.565 -6.555 -9.491 1.00 0.98 N ATOM 60 CA GLY A 4 -12.623 -6.021 -10.325 1.00 1.00 C ATOM 61 C GLY A 4 -12.521 -4.515 -10.477 1.00 0.95 C ATOM 62 O GLY A 4 -11.447 -3.987 -10.780 1.00 0.95 O ATOM 0 H GLY A 4 -10.630 -6.487 -9.893 1.00 0.98 H new ATOM 0 HA2 GLY A 4 -12.580 -6.488 -11.309 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -13.590 -6.277 -9.892 1.00 1.00 H new ATOM 66 N LYS A 5 -13.626 -3.818 -10.251 1.00 0.94 N ATOM 67 CA LYS A 5 -13.658 -2.363 -10.358 1.00 0.93 C ATOM 68 C LYS A 5 -14.687 -1.781 -9.396 1.00 0.91 C ATOM 69 O LYS A 5 -15.729 -2.398 -9.144 1.00 0.93 O ATOM 70 CB LYS A 5 -13.982 -1.927 -11.792 1.00 1.03 C ATOM 71 CG LYS A 5 -12.809 -2.053 -12.756 1.00 1.24 C ATOM 72 CD LYS A 5 -13.076 -1.302 -14.054 1.00 1.33 C ATOM 73 CE LYS A 5 -11.848 -1.268 -14.956 1.00 1.48 C ATOM 74 NZ LYS A 5 -11.551 -2.594 -15.560 1.00 1.80 N ATOM 0 H LYS A 5 -14.518 -4.238 -9.991 1.00 0.94 H new ATOM 0 HA LYS A 5 -12.670 -1.985 -10.094 1.00 0.93 H new ATOM 0 HB2 LYS A 5 -14.812 -2.527 -12.165 1.00 1.03 H new ATOM 0 HB3 LYS A 5 -14.319 -0.890 -11.779 1.00 1.03 H new ATOM 0 HG2 LYS A 5 -11.906 -1.662 -12.287 1.00 1.24 H new ATOM 0 HG3 LYS A 5 -12.626 -3.105 -12.973 1.00 1.24 H new ATOM 0 HD2 LYS A 5 -13.902 -1.776 -14.584 1.00 1.33 H new ATOM 0 HD3 LYS A 5 -13.387 -0.282 -13.826 1.00 1.33 H new ATOM 0 HE2 LYS A 5 -12.004 -0.537 -15.749 1.00 1.48 H new ATOM 0 HE3 LYS A 5 -10.986 -0.933 -14.379 1.00 1.48 H new ATOM 0 HZ1 LYS A 5 -10.708 -2.519 -16.164 1.00 1.80 H new ATOM 0 HZ2 LYS A 5 -11.376 -3.288 -14.805 1.00 1.80 H new ATOM 0 HZ3 LYS A 5 -12.362 -2.904 -16.133 1.00 1.80 H new ATOM 88 N LEU A 6 -14.384 -0.603 -8.860 1.00 0.87 N ATOM 89 CA LEU A 6 -15.272 0.080 -7.934 1.00 0.86 C ATOM 90 C LEU A 6 -15.468 1.531 -8.362 1.00 0.89 C ATOM 91 O LEU A 6 -14.692 2.417 -7.994 1.00 1.02 O ATOM 92 CB LEU A 6 -14.732 0.021 -6.498 1.00 0.81 C ATOM 93 CG LEU A 6 -15.604 0.728 -5.449 1.00 0.88 C ATOM 94 CD1 LEU A 6 -16.944 0.024 -5.293 1.00 1.09 C ATOM 95 CD2 LEU A 6 -14.879 0.799 -4.112 1.00 1.20 C ATOM 0 H LEU A 6 -13.519 -0.099 -9.056 1.00 0.87 H new ATOM 0 HA LEU A 6 -16.235 -0.431 -7.954 1.00 0.86 H new ATOM 0 HB2 LEU A 6 -14.619 -1.024 -6.211 1.00 0.81 H new ATOM 0 HB3 LEU A 6 -13.737 0.465 -6.481 1.00 0.81 H new ATOM 0 HG LEU A 6 -15.793 1.744 -5.795 1.00 0.88 H new ATOM 0 HD11 LEU A 6 -17.543 0.543 -4.545 1.00 1.09 H new ATOM 0 HD12 LEU A 6 -17.471 0.029 -6.247 1.00 1.09 H new ATOM 0 HD13 LEU A 6 -16.779 -1.005 -4.975 1.00 1.09 H new ATOM 0 HD21 LEU A 6 -15.512 1.303 -3.381 1.00 1.20 H new ATOM 0 HD22 LEU A 6 -14.656 -0.210 -3.765 1.00 1.20 H new ATOM 0 HD23 LEU A 6 -13.949 1.355 -4.231 1.00 1.20 H new ATOM 107 N GLN A 7 -16.493 1.759 -9.169 1.00 0.89 N ATOM 108 CA GLN A 7 -16.814 3.102 -9.644 1.00 0.92 C ATOM 109 C GLN A 7 -17.350 3.939 -8.488 1.00 0.87 C ATOM 110 O GLN A 7 -18.315 3.542 -7.823 1.00 0.87 O ATOM 111 CB GLN A 7 -17.842 3.054 -10.784 1.00 1.02 C ATOM 112 CG GLN A 7 -18.895 1.966 -10.627 1.00 1.10 C ATOM 113 CD GLN A 7 -18.526 0.688 -11.368 1.00 1.29 C ATOM 114 OE1 GLN A 7 -18.086 0.728 -12.516 1.00 1.60 O ATOM 115 NE2 GLN A 7 -18.668 -0.453 -10.707 1.00 1.41 N ATOM 0 H GLN A 7 -17.120 1.031 -9.511 1.00 0.89 H new ATOM 0 HA GLN A 7 -15.904 3.559 -10.032 1.00 0.92 H new ATOM 0 HB2 GLN A 7 -18.341 4.021 -10.849 1.00 1.02 H new ATOM 0 HB3 GLN A 7 -17.316 2.902 -11.727 1.00 1.02 H new ATOM 0 HG2 GLN A 7 -19.028 1.743 -9.568 1.00 1.10 H new ATOM 0 HG3 GLN A 7 -19.852 2.334 -10.998 1.00 1.10 H new ATOM 0 HE21 GLN A 7 -19.036 -0.449 -9.756 1.00 1.41 H new ATOM 0 HE22 GLN A 7 -18.409 -1.335 -11.150 1.00 1.41 H new ATOM 124 N TYR A 8 -16.723 5.085 -8.232 1.00 0.86 N ATOM 125 CA TYR A 8 -17.152 5.946 -7.138 1.00 0.83 C ATOM 126 C TYR A 8 -17.013 7.424 -7.482 1.00 0.85 C ATOM 127 O TYR A 8 -16.326 7.798 -8.436 1.00 0.88 O ATOM 128 CB TYR A 8 -16.361 5.636 -5.856 1.00 0.77 C ATOM 129 CG TYR A 8 -14.853 5.682 -6.004 1.00 0.74 C ATOM 130 CD1 TYR A 8 -14.202 6.813 -6.486 1.00 0.90 C ATOM 131 CD2 TYR A 8 -14.080 4.587 -5.646 1.00 0.84 C ATOM 132 CE1 TYR A 8 -12.825 6.845 -6.609 1.00 0.88 C ATOM 133 CE2 TYR A 8 -12.707 4.613 -5.765 1.00 0.85 C ATOM 134 CZ TYR A 8 -12.081 5.741 -6.246 1.00 0.73 C ATOM 135 OH TYR A 8 -10.705 5.756 -6.369 1.00 0.74 O ATOM 0 H TYR A 8 -15.925 5.434 -8.762 1.00 0.86 H new ATOM 0 HA TYR A 8 -18.209 5.738 -6.970 1.00 0.83 H new ATOM 0 HB2 TYR A 8 -16.657 6.347 -5.084 1.00 0.77 H new ATOM 0 HB3 TYR A 8 -16.646 4.645 -5.503 1.00 0.77 H new ATOM 0 HD1 TYR A 8 -14.781 7.680 -6.769 1.00 0.90 H new ATOM 0 HD2 TYR A 8 -14.563 3.698 -5.267 1.00 0.84 H new ATOM 0 HE1 TYR A 8 -12.334 7.730 -6.987 1.00 0.88 H new ATOM 0 HE2 TYR A 8 -12.123 3.750 -5.481 1.00 0.85 H new ATOM 0 HH TYR A 8 -10.449 6.352 -7.103 1.00 0.74 H new ATOM 145 N SER A 9 -17.683 8.248 -6.691 1.00 0.85 N ATOM 146 CA SER A 9 -17.645 9.690 -6.845 1.00 0.89 C ATOM 147 C SER A 9 -17.388 10.310 -5.474 1.00 0.85 C ATOM 148 O SER A 9 -18.292 10.398 -4.639 1.00 0.90 O ATOM 149 CB SER A 9 -18.963 10.193 -7.454 1.00 1.00 C ATOM 150 OG SER A 9 -20.075 9.472 -6.943 1.00 1.20 O ATOM 0 H SER A 9 -18.271 7.931 -5.920 1.00 0.85 H new ATOM 0 HA SER A 9 -16.845 9.981 -7.525 1.00 0.89 H new ATOM 0 HB2 SER A 9 -19.084 11.254 -7.238 1.00 1.00 H new ATOM 0 HB3 SER A 9 -18.928 10.091 -8.539 1.00 1.00 H new ATOM 0 HG SER A 9 -20.002 9.405 -5.968 1.00 1.20 H new ATOM 156 N LEU A 10 -16.147 10.702 -5.231 1.00 0.80 N ATOM 157 CA LEU A 10 -15.762 11.264 -3.944 1.00 0.78 C ATOM 158 C LEU A 10 -15.663 12.784 -4.005 1.00 0.82 C ATOM 159 O LEU A 10 -15.271 13.345 -5.026 1.00 0.94 O ATOM 160 CB LEU A 10 -14.418 10.674 -3.495 1.00 0.75 C ATOM 161 CG LEU A 10 -14.121 9.250 -3.987 1.00 0.71 C ATOM 162 CD1 LEU A 10 -12.757 8.786 -3.496 1.00 0.75 C ATOM 163 CD2 LEU A 10 -15.209 8.287 -3.538 1.00 0.76 C ATOM 0 H LEU A 10 -15.387 10.641 -5.909 1.00 0.80 H new ATOM 0 HA LEU A 10 -16.536 11.004 -3.222 1.00 0.78 H new ATOM 0 HB2 LEU A 10 -13.620 11.332 -3.839 1.00 0.75 H new ATOM 0 HB3 LEU A 10 -14.386 10.677 -2.405 1.00 0.75 H new ATOM 0 HG LEU A 10 -14.106 9.262 -5.077 1.00 0.71 H new ATOM 0 HD11 LEU A 10 -12.566 7.775 -3.855 1.00 0.75 H new ATOM 0 HD12 LEU A 10 -11.986 9.458 -3.874 1.00 0.75 H new ATOM 0 HD13 LEU A 10 -12.741 8.793 -2.406 1.00 0.75 H new ATOM 0 HD21 LEU A 10 -14.978 7.284 -3.898 1.00 0.76 H new ATOM 0 HD22 LEU A 10 -15.261 8.279 -2.449 1.00 0.76 H new ATOM 0 HD23 LEU A 10 -16.168 8.607 -3.945 1.00 0.76 H new ATOM 175 N ASP A 11 -16.024 13.442 -2.914 1.00 0.80 N ATOM 176 CA ASP A 11 -15.954 14.899 -2.835 1.00 0.87 C ATOM 177 C ASP A 11 -15.422 15.320 -1.466 1.00 0.82 C ATOM 178 O ASP A 11 -15.128 14.468 -0.626 1.00 0.80 O ATOM 179 CB ASP A 11 -17.318 15.544 -3.126 1.00 0.97 C ATOM 180 CG ASP A 11 -18.356 15.285 -2.051 1.00 0.99 C ATOM 181 OD1 ASP A 11 -18.345 15.997 -1.026 1.00 1.15 O ATOM 182 OD2 ASP A 11 -19.212 14.396 -2.251 1.00 1.17 O ATOM 0 H ASP A 11 -16.370 12.991 -2.067 1.00 0.80 H new ATOM 0 HA ASP A 11 -15.264 15.254 -3.601 1.00 0.87 H new ATOM 0 HB2 ASP A 11 -17.185 16.620 -3.238 1.00 0.97 H new ATOM 0 HB3 ASP A 11 -17.692 15.168 -4.078 1.00 0.97 H new ATOM 187 N TYR A 12 -15.293 16.622 -1.233 1.00 0.87 N ATOM 188 CA TYR A 12 -14.762 17.113 0.036 1.00 0.86 C ATOM 189 C TYR A 12 -15.679 18.151 0.676 1.00 0.89 C ATOM 190 O TYR A 12 -16.519 18.760 0.005 1.00 0.96 O ATOM 191 CB TYR A 12 -13.369 17.720 -0.179 1.00 0.89 C ATOM 192 CG TYR A 12 -13.393 19.168 -0.629 1.00 0.95 C ATOM 193 CD1 TYR A 12 -13.732 19.508 -1.933 1.00 1.02 C ATOM 194 CD2 TYR A 12 -13.080 20.193 0.257 1.00 1.02 C ATOM 195 CE1 TYR A 12 -13.759 20.829 -2.341 1.00 1.14 C ATOM 196 CE2 TYR A 12 -13.103 21.514 -0.145 1.00 1.14 C ATOM 197 CZ TYR A 12 -13.442 21.827 -1.444 1.00 1.19 C ATOM 198 OH TYR A 12 -13.468 23.145 -1.843 1.00 1.36 O ATOM 0 H TYR A 12 -15.546 17.352 -1.899 1.00 0.87 H new ATOM 0 HA TYR A 12 -14.697 16.262 0.714 1.00 0.86 H new ATOM 0 HB2 TYR A 12 -12.804 17.648 0.751 1.00 0.89 H new ATOM 0 HB3 TYR A 12 -12.836 17.127 -0.922 1.00 0.89 H new ATOM 0 HD1 TYR A 12 -13.978 18.728 -2.639 1.00 1.02 H new ATOM 0 HD2 TYR A 12 -12.815 19.952 1.276 1.00 1.02 H new ATOM 0 HE1 TYR A 12 -14.027 21.078 -3.357 1.00 1.14 H new ATOM 0 HE2 TYR A 12 -12.856 22.298 0.555 1.00 1.14 H new ATOM 0 HH TYR A 12 -13.220 23.720 -1.089 1.00 1.36 H new ATOM 208 N ASP A 13 -15.507 18.339 1.981 1.00 0.88 N ATOM 209 CA ASP A 13 -16.277 19.315 2.739 1.00 0.93 C ATOM 210 C ASP A 13 -15.340 20.142 3.614 1.00 0.93 C ATOM 211 O ASP A 13 -14.589 19.591 4.422 1.00 0.99 O ATOM 212 CB ASP A 13 -17.327 18.620 3.608 1.00 0.99 C ATOM 213 CG ASP A 13 -18.312 19.598 4.215 1.00 1.09 C ATOM 214 OD1 ASP A 13 -17.882 20.523 4.929 1.00 1.22 O ATOM 215 OD2 ASP A 13 -19.528 19.458 3.957 1.00 1.24 O ATOM 0 H ASP A 13 -14.831 17.819 2.540 1.00 0.88 H new ATOM 0 HA ASP A 13 -16.792 19.972 2.038 1.00 0.93 H new ATOM 0 HB2 ASP A 13 -17.868 17.890 3.006 1.00 0.99 H new ATOM 0 HB3 ASP A 13 -16.828 18.069 4.405 1.00 0.99 H new ATOM 220 N PHE A 14 -15.378 21.459 3.443 1.00 0.97 N ATOM 221 CA PHE A 14 -14.519 22.362 4.210 1.00 1.01 C ATOM 222 C PHE A 14 -15.241 22.941 5.430 1.00 1.06 C ATOM 223 O PHE A 14 -14.619 23.610 6.258 1.00 1.16 O ATOM 224 CB PHE A 14 -13.993 23.495 3.317 1.00 1.11 C ATOM 225 CG PHE A 14 -15.066 24.243 2.574 1.00 1.25 C ATOM 226 CD1 PHE A 14 -15.796 25.242 3.201 1.00 1.37 C ATOM 227 CD2 PHE A 14 -15.344 23.949 1.249 1.00 1.36 C ATOM 228 CE1 PHE A 14 -16.781 25.929 2.521 1.00 1.55 C ATOM 229 CE2 PHE A 14 -16.329 24.634 0.564 1.00 1.55 C ATOM 230 CZ PHE A 14 -17.048 25.627 1.200 1.00 1.62 C ATOM 0 H PHE A 14 -15.995 21.928 2.780 1.00 0.97 H new ATOM 0 HA PHE A 14 -13.676 21.775 4.574 1.00 1.01 H new ATOM 0 HB2 PHE A 14 -13.435 24.200 3.934 1.00 1.11 H new ATOM 0 HB3 PHE A 14 -13.291 23.078 2.596 1.00 1.11 H new ATOM 0 HD1 PHE A 14 -15.591 25.485 4.233 1.00 1.37 H new ATOM 0 HD2 PHE A 14 -14.784 23.175 0.745 1.00 1.36 H new ATOM 0 HE1 PHE A 14 -17.343 26.703 3.022 1.00 1.55 H new ATOM 0 HE2 PHE A 14 -16.537 24.393 -0.468 1.00 1.55 H new ATOM 0 HZ PHE A 14 -17.817 26.166 0.666 1.00 1.62 H new ATOM 240 N GLN A 15 -16.543 22.681 5.551 1.00 1.08 N ATOM 241 CA GLN A 15 -17.312 23.185 6.680 1.00 1.15 C ATOM 242 C GLN A 15 -17.074 22.296 7.897 1.00 1.10 C ATOM 243 O GLN A 15 -16.884 22.787 9.013 1.00 1.16 O ATOM 244 CB GLN A 15 -18.808 23.261 6.329 1.00 1.24 C ATOM 245 CG GLN A 15 -19.648 22.097 6.848 1.00 1.28 C ATOM 246 CD GLN A 15 -21.027 22.050 6.219 1.00 1.41 C ATOM 247 OE1 GLN A 15 -21.967 22.670 6.713 1.00 1.78 O ATOM 248 NE2 GLN A 15 -21.165 21.310 5.130 1.00 1.48 N ATOM 0 H GLN A 15 -17.081 22.128 4.884 1.00 1.08 H new ATOM 0 HA GLN A 15 -16.981 24.196 6.917 1.00 1.15 H new ATOM 0 HB2 GLN A 15 -19.214 24.190 6.729 1.00 1.24 H new ATOM 0 HB3 GLN A 15 -18.910 23.309 5.245 1.00 1.24 H new ATOM 0 HG2 GLN A 15 -19.128 21.160 6.647 1.00 1.28 H new ATOM 0 HG3 GLN A 15 -19.748 22.180 7.930 1.00 1.28 H new ATOM 0 HE21 GLN A 15 -20.362 20.809 4.748 1.00 1.48 H new ATOM 0 HE22 GLN A 15 -22.074 21.240 4.672 1.00 1.48 H new ATOM 257 N ASN A 16 -17.084 20.988 7.668 1.00 1.02 N ATOM 258 CA ASN A 16 -16.841 20.013 8.726 1.00 0.99 C ATOM 259 C ASN A 16 -15.397 19.501 8.659 1.00 0.94 C ATOM 260 O ASN A 16 -14.922 18.846 9.589 1.00 0.96 O ATOM 261 CB ASN A 16 -17.825 18.835 8.624 1.00 1.01 C ATOM 262 CG ASN A 16 -17.759 18.120 7.285 1.00 1.01 C ATOM 263 OD1 ASN A 16 -16.838 18.332 6.503 1.00 1.15 O ATOM 264 ND2 ASN A 16 -18.734 17.260 7.019 1.00 1.10 N ATOM 0 H ASN A 16 -17.259 20.575 6.752 1.00 1.02 H new ATOM 0 HA ASN A 16 -16.996 20.508 9.685 1.00 0.99 H new ATOM 0 HB2 ASN A 16 -17.613 18.122 9.421 1.00 1.01 H new ATOM 0 HB3 ASN A 16 -18.839 19.201 8.785 1.00 1.01 H new ATOM 0 HD21 ASN A 16 -18.735 16.747 6.137 1.00 1.10 H new ATOM 0 HD22 ASN A 16 -19.482 17.112 7.696 1.00 1.10 H new ATOM 271 N ASN A 17 -14.712 19.802 7.546 1.00 0.91 N ATOM 272 CA ASN A 17 -13.322 19.400 7.338 1.00 0.88 C ATOM 273 C ASN A 17 -13.196 17.885 7.222 1.00 0.81 C ATOM 274 O ASN A 17 -12.746 17.203 8.151 1.00 0.82 O ATOM 275 CB ASN A 17 -12.418 19.937 8.459 1.00 0.92 C ATOM 276 CG ASN A 17 -11.275 20.791 7.929 1.00 0.99 C ATOM 277 OD1 ASN A 17 -10.815 20.611 6.798 1.00 1.02 O ATOM 278 ND2 ASN A 17 -10.797 21.719 8.743 1.00 1.25 N ATOM 0 H ASN A 17 -15.109 20.330 6.769 1.00 0.91 H new ATOM 0 HA ASN A 17 -12.990 19.837 6.396 1.00 0.88 H new ATOM 0 HB2 ASN A 17 -13.017 20.527 9.152 1.00 0.92 H new ATOM 0 HB3 ASN A 17 -12.009 19.099 9.024 1.00 0.92 H new ATOM 0 HD21 ASN A 17 -10.024 22.313 8.442 1.00 1.25 H new ATOM 0 HD22 ASN A 17 -11.201 21.840 9.671 1.00 1.25 H new ATOM 285 N GLN A 18 -13.614 17.362 6.074 1.00 0.79 N ATOM 286 CA GLN A 18 -13.546 15.929 5.802 1.00 0.75 C ATOM 287 C GLN A 18 -13.901 15.639 4.346 1.00 0.73 C ATOM 288 O GLN A 18 -14.434 16.506 3.638 1.00 0.79 O ATOM 289 CB GLN A 18 -14.477 15.155 6.748 1.00 0.79 C ATOM 290 CG GLN A 18 -15.956 15.449 6.561 1.00 0.92 C ATOM 291 CD GLN A 18 -16.597 14.599 5.480 1.00 1.07 C ATOM 292 OE1 GLN A 18 -16.983 13.460 5.719 1.00 1.40 O ATOM 293 NE2 GLN A 18 -16.728 15.153 4.284 1.00 1.27 N ATOM 0 H GLN A 18 -14.007 17.914 5.311 1.00 0.79 H new ATOM 0 HA GLN A 18 -12.523 15.596 5.978 1.00 0.75 H new ATOM 0 HB2 GLN A 18 -14.312 14.087 6.606 1.00 0.79 H new ATOM 0 HB3 GLN A 18 -14.201 15.386 7.777 1.00 0.79 H new ATOM 0 HG2 GLN A 18 -16.476 15.281 7.504 1.00 0.92 H new ATOM 0 HG3 GLN A 18 -16.083 16.502 6.310 1.00 0.92 H new ATOM 0 HE21 GLN A 18 -16.395 16.103 4.123 1.00 1.27 H new ATOM 0 HE22 GLN A 18 -17.162 14.629 3.524 1.00 1.27 H new ATOM 302 N LEU A 19 -13.601 14.426 3.901 1.00 0.68 N ATOM 303 CA LEU A 19 -13.901 14.018 2.531 1.00 0.68 C ATOM 304 C LEU A 19 -15.144 13.139 2.493 1.00 0.70 C ATOM 305 O LEU A 19 -15.398 12.360 3.414 1.00 0.73 O ATOM 306 CB LEU A 19 -12.729 13.259 1.900 1.00 0.63 C ATOM 307 CG LEU A 19 -11.422 14.037 1.768 1.00 0.70 C ATOM 308 CD1 LEU A 19 -10.364 13.167 1.112 1.00 0.70 C ATOM 309 CD2 LEU A 19 -11.636 15.311 0.966 1.00 0.87 C ATOM 0 H LEU A 19 -13.151 13.707 4.467 1.00 0.68 H new ATOM 0 HA LEU A 19 -14.078 14.927 1.956 1.00 0.68 H new ATOM 0 HB2 LEU A 19 -12.538 12.365 2.494 1.00 0.63 H new ATOM 0 HB3 LEU A 19 -13.031 12.924 0.908 1.00 0.63 H new ATOM 0 HG LEU A 19 -11.079 14.316 2.764 1.00 0.70 H new ATOM 0 HD11 LEU A 19 -9.435 13.730 1.022 1.00 0.70 H new ATOM 0 HD12 LEU A 19 -10.193 12.280 1.722 1.00 0.70 H new ATOM 0 HD13 LEU A 19 -10.704 12.866 0.121 1.00 0.70 H new ATOM 0 HD21 LEU A 19 -10.693 15.851 0.883 1.00 0.87 H new ATOM 0 HD22 LEU A 19 -11.998 15.057 -0.030 1.00 0.87 H new ATOM 0 HD23 LEU A 19 -12.371 15.939 1.470 1.00 0.87 H new ATOM 321 N LEU A 20 -15.906 13.262 1.419 1.00 0.73 N ATOM 322 CA LEU A 20 -17.120 12.484 1.244 1.00 0.76 C ATOM 323 C LEU A 20 -16.876 11.394 0.205 1.00 0.73 C ATOM 324 O LEU A 20 -16.878 11.658 -1.002 1.00 0.78 O ATOM 325 CB LEU A 20 -18.275 13.397 0.810 1.00 0.87 C ATOM 326 CG LEU A 20 -19.683 12.876 1.105 1.00 0.95 C ATOM 327 CD1 LEU A 20 -19.946 11.574 0.365 1.00 0.95 C ATOM 328 CD2 LEU A 20 -19.882 12.698 2.602 1.00 0.96 C ATOM 0 H LEU A 20 -15.702 13.899 0.649 1.00 0.73 H new ATOM 0 HA LEU A 20 -17.393 12.017 2.190 1.00 0.76 H new ATOM 0 HB2 LEU A 20 -18.155 14.362 1.302 1.00 0.87 H new ATOM 0 HB3 LEU A 20 -18.191 13.573 -0.262 1.00 0.87 H new ATOM 0 HG LEU A 20 -20.402 13.614 0.749 1.00 0.95 H new ATOM 0 HD11 LEU A 20 -20.953 11.224 0.591 1.00 0.95 H new ATOM 0 HD12 LEU A 20 -19.852 11.740 -0.708 1.00 0.95 H new ATOM 0 HD13 LEU A 20 -19.222 10.823 0.681 1.00 0.95 H new ATOM 0 HD21 LEU A 20 -20.889 12.327 2.794 1.00 0.96 H new ATOM 0 HD22 LEU A 20 -19.153 11.983 2.983 1.00 0.96 H new ATOM 0 HD23 LEU A 20 -19.747 13.656 3.103 1.00 0.96 H new ATOM 340 N VAL A 21 -16.632 10.179 0.676 1.00 0.67 N ATOM 341 CA VAL A 21 -16.378 9.056 -0.215 1.00 0.65 C ATOM 342 C VAL A 21 -17.678 8.340 -0.569 1.00 0.69 C ATOM 343 O VAL A 21 -18.299 7.705 0.289 1.00 0.72 O ATOM 344 CB VAL A 21 -15.383 8.048 0.406 1.00 0.61 C ATOM 345 CG1 VAL A 21 -15.208 6.823 -0.487 1.00 0.62 C ATOM 346 CG2 VAL A 21 -14.041 8.715 0.664 1.00 0.61 C ATOM 0 H VAL A 21 -16.605 9.946 1.669 1.00 0.67 H new ATOM 0 HA VAL A 21 -15.933 9.462 -1.123 1.00 0.65 H new ATOM 0 HB VAL A 21 -15.795 7.713 1.358 1.00 0.61 H new ATOM 0 HG11 VAL A 21 -14.503 6.133 -0.024 1.00 0.62 H new ATOM 0 HG12 VAL A 21 -16.170 6.327 -0.616 1.00 0.62 H new ATOM 0 HG13 VAL A 21 -14.826 7.133 -1.460 1.00 0.62 H new ATOM 0 HG21 VAL A 21 -13.353 7.991 1.101 1.00 0.61 H new ATOM 0 HG22 VAL A 21 -13.631 9.083 -0.276 1.00 0.61 H new ATOM 0 HG23 VAL A 21 -14.176 9.549 1.353 1.00 0.61 H new ATOM 356 N GLY A 22 -18.095 8.476 -1.825 1.00 0.74 N ATOM 357 CA GLY A 22 -19.308 7.834 -2.286 1.00 0.79 C ATOM 358 C GLY A 22 -19.031 6.825 -3.385 1.00 0.82 C ATOM 359 O GLY A 22 -18.830 7.203 -4.544 1.00 0.89 O ATOM 0 H GLY A 22 -17.608 9.024 -2.534 1.00 0.74 H new ATOM 0 HA2 GLY A 22 -19.795 7.334 -1.449 1.00 0.79 H new ATOM 0 HA3 GLY A 22 -20.002 8.590 -2.654 1.00 0.79 H new ATOM 363 N ILE A 23 -19.002 5.545 -3.027 1.00 0.80 N ATOM 364 CA ILE A 23 -18.745 4.488 -4.003 1.00 0.85 C ATOM 365 C ILE A 23 -20.055 3.908 -4.526 1.00 0.93 C ATOM 366 O ILE A 23 -20.922 3.496 -3.748 1.00 1.14 O ATOM 367 CB ILE A 23 -17.836 3.354 -3.446 1.00 0.84 C ATOM 368 CG1 ILE A 23 -18.603 2.399 -2.514 1.00 0.98 C ATOM 369 CG2 ILE A 23 -16.628 3.945 -2.731 1.00 0.72 C ATOM 370 CD1 ILE A 23 -19.104 3.041 -1.237 1.00 1.04 C ATOM 0 H ILE A 23 -19.152 5.214 -2.074 1.00 0.80 H new ATOM 0 HA ILE A 23 -18.202 4.953 -4.826 1.00 0.85 H new ATOM 0 HB ILE A 23 -17.493 2.765 -4.297 1.00 0.84 H new ATOM 0 HG12 ILE A 23 -19.453 1.986 -3.057 1.00 0.98 H new ATOM 0 HG13 ILE A 23 -17.953 1.563 -2.256 1.00 0.98 H new ATOM 0 HG21 ILE A 23 -16.002 3.139 -2.347 1.00 0.72 H new ATOM 0 HG22 ILE A 23 -16.052 4.550 -3.430 1.00 0.72 H new ATOM 0 HG23 ILE A 23 -16.965 4.569 -1.903 1.00 0.72 H new ATOM 0 HD11 ILE A 23 -19.633 2.298 -0.639 1.00 1.04 H new ATOM 0 HD12 ILE A 23 -18.259 3.429 -0.669 1.00 1.04 H new ATOM 0 HD13 ILE A 23 -19.782 3.858 -1.482 1.00 1.04 H new ATOM 382 N ILE A 24 -20.192 3.877 -5.847 1.00 0.91 N ATOM 383 CA ILE A 24 -21.403 3.376 -6.486 1.00 0.98 C ATOM 384 C ILE A 24 -21.578 1.877 -6.254 1.00 0.97 C ATOM 385 O ILE A 24 -22.487 1.451 -5.530 1.00 1.00 O ATOM 386 CB ILE A 24 -21.399 3.652 -8.009 1.00 1.03 C ATOM 387 CG1 ILE A 24 -21.208 5.146 -8.288 1.00 1.05 C ATOM 388 CG2 ILE A 24 -22.691 3.152 -8.646 1.00 1.11 C ATOM 389 CD1 ILE A 24 -21.011 5.465 -9.755 1.00 1.10 C ATOM 0 H ILE A 24 -19.475 4.195 -6.499 1.00 0.91 H new ATOM 0 HA ILE A 24 -22.237 3.909 -6.029 1.00 0.98 H new ATOM 0 HB ILE A 24 -20.563 3.111 -8.452 1.00 1.03 H new ATOM 0 HG12 ILE A 24 -22.077 5.691 -7.919 1.00 1.05 H new ATOM 0 HG13 ILE A 24 -20.345 5.505 -7.727 1.00 1.05 H new ATOM 0 HG21 ILE A 24 -22.671 3.354 -9.717 1.00 1.11 H new ATOM 0 HG22 ILE A 24 -22.786 2.079 -8.481 1.00 1.11 H new ATOM 0 HG23 ILE A 24 -23.541 3.665 -8.196 1.00 1.11 H new ATOM 0 HD11 ILE A 24 -20.882 6.540 -9.879 1.00 1.10 H new ATOM 0 HD12 ILE A 24 -20.125 4.948 -10.124 1.00 1.10 H new ATOM 0 HD13 ILE A 24 -21.884 5.137 -10.319 1.00 1.10 H new ATOM 401 N GLN A 25 -20.698 1.078 -6.856 1.00 0.94 N ATOM 402 CA GLN A 25 -20.776 -0.370 -6.732 1.00 0.94 C ATOM 403 C GLN A 25 -19.502 -1.044 -7.228 1.00 0.91 C ATOM 404 O GLN A 25 -18.792 -0.498 -8.080 1.00 0.92 O ATOM 405 CB GLN A 25 -21.971 -0.891 -7.535 1.00 1.02 C ATOM 406 CG GLN A 25 -21.823 -0.718 -9.041 1.00 1.06 C ATOM 407 CD GLN A 25 -21.930 -2.026 -9.813 1.00 1.27 C ATOM 408 OE1 GLN A 25 -22.427 -2.049 -10.939 1.00 1.74 O ATOM 409 NE2 GLN A 25 -21.458 -3.120 -9.230 1.00 1.29 N ATOM 0 H GLN A 25 -19.926 1.412 -7.433 1.00 0.94 H new ATOM 0 HA GLN A 25 -20.899 -0.610 -5.676 1.00 0.94 H new ATOM 0 HB2 GLN A 25 -22.113 -1.949 -7.313 1.00 1.02 H new ATOM 0 HB3 GLN A 25 -22.872 -0.373 -7.206 1.00 1.02 H new ATOM 0 HG2 GLN A 25 -22.590 -0.030 -9.397 1.00 1.06 H new ATOM 0 HG3 GLN A 25 -20.858 -0.257 -9.253 1.00 1.06 H new ATOM 0 HE21 GLN A 25 -21.052 -3.065 -8.296 1.00 1.29 H new ATOM 0 HE22 GLN A 25 -21.501 -4.016 -9.716 1.00 1.29 H new ATOM 418 N ALA A 26 -19.232 -2.230 -6.696 1.00 0.91 N ATOM 419 CA ALA A 26 -18.067 -3.010 -7.086 1.00 0.90 C ATOM 420 C ALA A 26 -18.517 -4.180 -7.950 1.00 0.94 C ATOM 421 O ALA A 26 -19.581 -4.752 -7.705 1.00 1.02 O ATOM 422 CB ALA A 26 -17.316 -3.506 -5.859 1.00 0.89 C ATOM 0 H ALA A 26 -19.812 -2.675 -5.985 1.00 0.91 H new ATOM 0 HA ALA A 26 -17.387 -2.379 -7.658 1.00 0.90 H new ATOM 0 HB1 ALA A 26 -16.449 -4.087 -6.173 1.00 0.89 H new ATOM 0 HB2 ALA A 26 -16.986 -2.654 -5.265 1.00 0.89 H new ATOM 0 HB3 ALA A 26 -17.975 -4.133 -5.258 1.00 0.89 H new ATOM 428 N ALA A 27 -17.727 -4.528 -8.956 1.00 0.96 N ATOM 429 CA ALA A 27 -18.084 -5.621 -9.855 1.00 1.02 C ATOM 430 C ALA A 27 -16.916 -6.573 -10.097 1.00 1.02 C ATOM 431 O ALA A 27 -15.775 -6.134 -10.265 1.00 1.02 O ATOM 432 CB ALA A 27 -18.587 -5.058 -11.176 1.00 1.11 C ATOM 0 H ALA A 27 -16.839 -4.074 -9.171 1.00 0.96 H new ATOM 0 HA ALA A 27 -18.875 -6.198 -9.376 1.00 1.02 H new ATOM 0 HB1 ALA A 27 -18.852 -5.878 -11.844 1.00 1.11 H new ATOM 0 HB2 ALA A 27 -19.465 -4.438 -10.996 1.00 1.11 H new ATOM 0 HB3 ALA A 27 -17.804 -4.454 -11.636 1.00 1.11 H new ATOM 438 N GLU A 28 -17.230 -7.873 -10.118 1.00 1.05 N ATOM 439 CA GLU A 28 -16.249 -8.937 -10.359 1.00 1.08 C ATOM 440 C GLU A 28 -15.421 -9.242 -9.111 1.00 1.03 C ATOM 441 O GLU A 28 -14.202 -9.411 -9.184 1.00 1.07 O ATOM 442 CB GLU A 28 -15.334 -8.591 -11.541 1.00 1.13 C ATOM 443 CG GLU A 28 -16.079 -8.434 -12.856 1.00 1.26 C ATOM 444 CD GLU A 28 -15.146 -8.349 -14.043 1.00 1.40 C ATOM 445 OE1 GLU A 28 -14.603 -7.256 -14.301 1.00 1.70 O ATOM 446 OE2 GLU A 28 -14.951 -9.372 -14.729 1.00 1.65 O ATOM 0 H GLU A 28 -18.178 -8.219 -9.967 1.00 1.05 H new ATOM 0 HA GLU A 28 -16.811 -9.836 -10.611 1.00 1.08 H new ATOM 0 HB2 GLU A 28 -14.803 -7.665 -11.320 1.00 1.13 H new ATOM 0 HB3 GLU A 28 -14.582 -9.372 -11.649 1.00 1.13 H new ATOM 0 HG2 GLU A 28 -16.756 -9.278 -12.990 1.00 1.26 H new ATOM 0 HG3 GLU A 28 -16.694 -7.535 -12.816 1.00 1.26 H new ATOM 453 N LEU A 29 -16.095 -9.345 -7.970 1.00 1.04 N ATOM 454 CA LEU A 29 -15.425 -9.649 -6.710 1.00 1.00 C ATOM 455 C LEU A 29 -15.199 -11.161 -6.583 1.00 1.04 C ATOM 456 O LEU A 29 -16.061 -11.952 -6.964 1.00 1.09 O ATOM 457 CB LEU A 29 -16.257 -9.132 -5.534 1.00 0.98 C ATOM 458 CG LEU A 29 -16.447 -7.612 -5.492 1.00 0.94 C ATOM 459 CD1 LEU A 29 -17.590 -7.240 -4.561 1.00 0.95 C ATOM 460 CD2 LEU A 29 -15.160 -6.930 -5.051 1.00 0.92 C ATOM 0 H LEU A 29 -17.105 -9.222 -7.892 1.00 1.04 H new ATOM 0 HA LEU A 29 -14.456 -9.151 -6.696 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -17.239 -9.605 -5.568 1.00 0.98 H new ATOM 0 HB3 LEU A 29 -15.782 -9.449 -4.606 1.00 0.98 H new ATOM 0 HG LEU A 29 -16.697 -7.269 -6.496 1.00 0.94 H new ATOM 0 HD11 LEU A 29 -17.709 -6.157 -4.545 1.00 0.95 H new ATOM 0 HD12 LEU A 29 -18.512 -7.701 -4.915 1.00 0.95 H new ATOM 0 HD13 LEU A 29 -17.370 -7.596 -3.554 1.00 0.95 H new ATOM 0 HD21 LEU A 29 -15.310 -5.851 -5.026 1.00 0.92 H new ATOM 0 HD22 LEU A 29 -14.884 -7.281 -4.057 1.00 0.92 H new ATOM 0 HD23 LEU A 29 -14.362 -7.169 -5.754 1.00 0.92 H new ATOM 472 N PRO A 30 -14.024 -11.580 -6.074 1.00 1.04 N ATOM 473 CA PRO A 30 -13.691 -13.003 -5.901 1.00 1.09 C ATOM 474 C PRO A 30 -14.767 -13.782 -5.140 1.00 1.09 C ATOM 475 O PRO A 30 -15.484 -13.224 -4.301 1.00 1.07 O ATOM 476 CB PRO A 30 -12.387 -12.969 -5.102 1.00 1.08 C ATOM 477 CG PRO A 30 -11.775 -11.657 -5.442 1.00 1.05 C ATOM 478 CD PRO A 30 -12.924 -10.707 -5.643 1.00 1.01 C ATOM 0 HA PRO A 30 -13.609 -13.514 -6.860 1.00 1.09 H new ATOM 0 HB2 PRO A 30 -12.575 -13.054 -4.032 1.00 1.08 H new ATOM 0 HB3 PRO A 30 -11.732 -13.796 -5.377 1.00 1.08 H new ATOM 0 HG2 PRO A 30 -11.119 -11.313 -4.643 1.00 1.05 H new ATOM 0 HG3 PRO A 30 -11.167 -11.731 -6.344 1.00 1.05 H new ATOM 0 HD2 PRO A 30 -13.171 -10.176 -4.724 1.00 1.01 H new ATOM 0 HD3 PRO A 30 -12.693 -9.952 -6.395 1.00 1.01 H new ATOM 486 N ALA A 31 -14.864 -15.079 -5.433 1.00 1.15 N ATOM 487 CA ALA A 31 -15.846 -15.946 -4.794 1.00 1.16 C ATOM 488 C ALA A 31 -15.282 -16.575 -3.523 1.00 1.18 C ATOM 489 O ALA A 31 -14.288 -17.303 -3.567 1.00 1.29 O ATOM 490 CB ALA A 31 -16.303 -17.029 -5.761 1.00 1.21 C ATOM 0 H ALA A 31 -14.269 -15.552 -6.113 1.00 1.15 H new ATOM 0 HA ALA A 31 -16.705 -15.335 -4.516 1.00 1.16 H new ATOM 0 HB1 ALA A 31 -17.036 -17.669 -5.270 1.00 1.21 H new ATOM 0 HB2 ALA A 31 -16.755 -16.566 -6.638 1.00 1.21 H new ATOM 0 HB3 ALA A 31 -15.446 -17.628 -6.068 1.00 1.21 H new ATOM 496 N LEU A 32 -15.909 -16.273 -2.399 1.00 1.16 N ATOM 497 CA LEU A 32 -15.498 -16.811 -1.106 1.00 1.18 C ATOM 498 C LEU A 32 -16.528 -17.828 -0.605 1.00 1.22 C ATOM 499 O LEU A 32 -16.173 -18.847 -0.012 1.00 1.31 O ATOM 500 CB LEU A 32 -15.339 -15.672 -0.092 1.00 1.15 C ATOM 501 CG LEU A 32 -14.399 -15.951 1.090 1.00 1.23 C ATOM 502 CD1 LEU A 32 -14.961 -17.038 1.995 1.00 1.54 C ATOM 503 CD2 LEU A 32 -13.012 -16.337 0.590 1.00 1.42 C ATOM 0 H LEU A 32 -16.715 -15.650 -2.353 1.00 1.16 H new ATOM 0 HA LEU A 32 -14.539 -17.316 -1.222 1.00 1.18 H new ATOM 0 HB2 LEU A 32 -14.976 -14.790 -0.620 1.00 1.15 H new ATOM 0 HB3 LEU A 32 -16.324 -15.424 0.303 1.00 1.15 H new ATOM 0 HG LEU A 32 -14.316 -15.036 1.676 1.00 1.23 H new ATOM 0 HD11 LEU A 32 -14.274 -17.214 2.823 1.00 1.54 H new ATOM 0 HD12 LEU A 32 -15.928 -16.721 2.387 1.00 1.54 H new ATOM 0 HD13 LEU A 32 -15.085 -17.959 1.424 1.00 1.54 H new ATOM 0 HD21 LEU A 32 -12.359 -16.531 1.441 1.00 1.42 H new ATOM 0 HD22 LEU A 32 -13.083 -17.234 -0.024 1.00 1.42 H new ATOM 0 HD23 LEU A 32 -12.600 -15.522 -0.005 1.00 1.42 H new ATOM 515 N ASP A 33 -17.804 -17.558 -0.873 1.00 1.20 N ATOM 516 CA ASP A 33 -18.886 -18.442 -0.446 1.00 1.24 C ATOM 517 C ASP A 33 -18.940 -19.686 -1.329 1.00 1.29 C ATOM 518 O ASP A 33 -18.486 -19.665 -2.480 1.00 1.28 O ATOM 519 CB ASP A 33 -20.232 -17.708 -0.492 1.00 1.24 C ATOM 520 CG ASP A 33 -21.360 -18.520 0.116 1.00 1.29 C ATOM 521 OD1 ASP A 33 -21.954 -19.351 -0.598 1.00 1.38 O ATOM 522 OD2 ASP A 33 -21.658 -18.319 1.313 1.00 1.31 O ATOM 0 H ASP A 33 -18.114 -16.732 -1.385 1.00 1.20 H new ATOM 0 HA ASP A 33 -18.689 -18.748 0.581 1.00 1.24 H new ATOM 0 HB2 ASP A 33 -20.143 -16.761 0.040 1.00 1.24 H new ATOM 0 HB3 ASP A 33 -20.477 -17.471 -1.527 1.00 1.24 H new ATOM 527 N MET A 34 -19.498 -20.769 -0.798 1.00 1.36 N ATOM 528 CA MET A 34 -19.607 -22.020 -1.543 1.00 1.42 C ATOM 529 C MET A 34 -20.725 -21.934 -2.583 1.00 1.45 C ATOM 530 O MET A 34 -21.684 -22.710 -2.550 1.00 1.63 O ATOM 531 CB MET A 34 -19.867 -23.192 -0.593 1.00 1.48 C ATOM 532 CG MET A 34 -19.732 -24.553 -1.255 1.00 1.56 C ATOM 533 SD MET A 34 -18.019 -24.964 -1.640 1.00 1.64 S ATOM 534 CE MET A 34 -18.222 -26.556 -2.434 1.00 1.78 C ATOM 0 H MET A 34 -19.882 -20.806 0.146 1.00 1.36 H new ATOM 0 HA MET A 34 -18.662 -22.189 -2.059 1.00 1.42 H new ATOM 0 HB2 MET A 34 -19.170 -23.133 0.243 1.00 1.48 H new ATOM 0 HB3 MET A 34 -20.870 -23.097 -0.178 1.00 1.48 H new ATOM 0 HG2 MET A 34 -20.147 -25.317 -0.597 1.00 1.56 H new ATOM 0 HG3 MET A 34 -20.321 -24.568 -2.172 1.00 1.56 H new ATOM 0 HE1 MET A 34 -17.247 -26.942 -2.731 1.00 1.78 H new ATOM 0 HE2 MET A 34 -18.691 -27.252 -1.739 1.00 1.78 H new ATOM 0 HE3 MET A 34 -18.852 -26.445 -3.317 1.00 1.78 H new ATOM 544 N GLY A 35 -20.606 -20.983 -3.498 1.00 1.41 N ATOM 545 CA GLY A 35 -21.612 -20.819 -4.531 1.00 1.42 C ATOM 546 C GLY A 35 -21.216 -19.786 -5.564 1.00 1.38 C ATOM 547 O GLY A 35 -22.009 -18.904 -5.901 1.00 1.37 O ATOM 0 H GLY A 35 -19.831 -20.321 -3.545 1.00 1.41 H new ATOM 0 HA2 GLY A 35 -21.781 -21.776 -5.025 1.00 1.42 H new ATOM 0 HA3 GLY A 35 -22.556 -20.526 -4.072 1.00 1.42 H new ATOM 551 N GLY A 36 -19.979 -19.882 -6.056 1.00 1.38 N ATOM 552 CA GLY A 36 -19.491 -18.941 -7.051 1.00 1.36 C ATOM 553 C GLY A 36 -19.817 -17.495 -6.708 1.00 1.29 C ATOM 554 O GLY A 36 -19.988 -16.662 -7.602 1.00 1.29 O ATOM 0 H GLY A 36 -19.306 -20.598 -5.781 1.00 1.38 H new ATOM 0 HA2 GLY A 36 -18.411 -19.051 -7.149 1.00 1.36 H new ATOM 0 HA3 GLY A 36 -19.926 -19.186 -8.020 1.00 1.36 H new ATOM 558 N THR A 37 -19.890 -17.195 -5.412 1.00 1.25 N ATOM 559 CA THR A 37 -20.211 -15.855 -4.938 1.00 1.20 C ATOM 560 C THR A 37 -19.655 -15.643 -3.529 1.00 1.16 C ATOM 561 O THR A 37 -18.982 -16.522 -2.982 1.00 1.18 O ATOM 562 CB THR A 37 -21.741 -15.610 -4.939 1.00 1.23 C ATOM 563 OG1 THR A 37 -22.440 -16.804 -4.554 1.00 1.30 O ATOM 564 CG2 THR A 37 -22.226 -15.158 -6.308 1.00 1.26 C ATOM 0 H THR A 37 -19.729 -17.872 -4.666 1.00 1.25 H new ATOM 0 HA THR A 37 -19.749 -15.141 -5.620 1.00 1.20 H new ATOM 0 HB THR A 37 -21.949 -14.819 -4.218 1.00 1.23 H new ATOM 0 HG1 THR A 37 -22.422 -17.447 -5.294 1.00 1.30 H new ATOM 0 HG21 THR A 37 -23.303 -14.994 -6.277 1.00 1.26 H new ATOM 0 HG22 THR A 37 -21.726 -14.229 -6.583 1.00 1.26 H new ATOM 0 HG23 THR A 37 -21.997 -15.926 -7.047 1.00 1.26 H new ATOM 572 N SER A 38 -19.927 -14.484 -2.947 1.00 1.12 N ATOM 573 CA SER A 38 -19.450 -14.170 -1.607 1.00 1.09 C ATOM 574 C SER A 38 -20.299 -13.067 -0.986 1.00 1.06 C ATOM 575 O SER A 38 -21.266 -12.596 -1.600 1.00 1.07 O ATOM 576 CB SER A 38 -17.982 -13.726 -1.666 1.00 1.06 C ATOM 577 OG SER A 38 -17.325 -14.266 -2.802 1.00 1.13 O ATOM 0 H SER A 38 -20.477 -13.744 -3.383 1.00 1.12 H new ATOM 0 HA SER A 38 -19.531 -15.064 -0.989 1.00 1.09 H new ATOM 0 HB2 SER A 38 -17.930 -12.638 -1.696 1.00 1.06 H new ATOM 0 HB3 SER A 38 -17.467 -14.045 -0.760 1.00 1.06 H new ATOM 0 HG SER A 38 -16.666 -13.622 -3.136 1.00 1.13 H new ATOM 583 N ASP A 39 -19.926 -12.656 0.217 1.00 1.04 N ATOM 584 CA ASP A 39 -20.616 -11.585 0.927 1.00 1.02 C ATOM 585 C ASP A 39 -19.632 -10.436 1.128 1.00 0.97 C ATOM 586 O ASP A 39 -19.384 -10.005 2.256 1.00 0.94 O ATOM 587 CB ASP A 39 -21.133 -12.075 2.287 1.00 1.04 C ATOM 588 CG ASP A 39 -22.431 -12.857 2.202 1.00 1.09 C ATOM 589 OD1 ASP A 39 -22.546 -13.757 1.339 1.00 1.14 O ATOM 590 OD2 ASP A 39 -23.341 -12.602 3.019 1.00 1.13 O ATOM 0 H ASP A 39 -19.138 -13.053 0.729 1.00 1.04 H new ATOM 0 HA ASP A 39 -21.475 -11.254 0.343 1.00 1.02 H new ATOM 0 HB2 ASP A 39 -20.371 -12.702 2.751 1.00 1.04 H new ATOM 0 HB3 ASP A 39 -21.279 -11.215 2.941 1.00 1.04 H new ATOM 595 N PRO A 40 -19.062 -9.912 0.027 1.00 0.96 N ATOM 596 CA PRO A 40 -18.054 -8.854 0.083 1.00 0.92 C ATOM 597 C PRO A 40 -18.619 -7.468 0.372 1.00 0.88 C ATOM 598 O PRO A 40 -19.507 -6.976 -0.337 1.00 0.92 O ATOM 599 CB PRO A 40 -17.443 -8.893 -1.315 1.00 0.96 C ATOM 600 CG PRO A 40 -18.562 -9.328 -2.190 1.00 1.01 C ATOM 601 CD PRO A 40 -19.382 -10.283 -1.367 1.00 1.01 C ATOM 0 HA PRO A 40 -17.351 -9.025 0.898 1.00 0.92 H new ATOM 0 HB2 PRO A 40 -17.063 -7.915 -1.611 1.00 0.96 H new ATOM 0 HB3 PRO A 40 -16.605 -9.589 -1.364 1.00 0.96 H new ATOM 0 HG2 PRO A 40 -19.161 -8.476 -2.511 1.00 1.01 H new ATOM 0 HG3 PRO A 40 -18.187 -9.812 -3.092 1.00 1.01 H new ATOM 0 HD2 PRO A 40 -20.447 -10.177 -1.575 1.00 1.01 H new ATOM 0 HD3 PRO A 40 -19.118 -11.320 -1.576 1.00 1.01 H new ATOM 609 N TYR A 41 -18.102 -6.850 1.421 1.00 0.83 N ATOM 610 CA TYR A 41 -18.492 -5.504 1.807 1.00 0.80 C ATOM 611 C TYR A 41 -17.229 -4.663 1.970 1.00 0.74 C ATOM 612 O TYR A 41 -16.219 -5.142 2.492 1.00 0.73 O ATOM 613 CB TYR A 41 -19.333 -5.513 3.092 1.00 0.82 C ATOM 614 CG TYR A 41 -18.554 -5.833 4.349 1.00 0.81 C ATOM 615 CD1 TYR A 41 -17.783 -4.861 4.969 1.00 0.80 C ATOM 616 CD2 TYR A 41 -18.596 -7.102 4.917 1.00 0.89 C ATOM 617 CE1 TYR A 41 -17.071 -5.142 6.114 1.00 0.86 C ATOM 618 CE2 TYR A 41 -17.887 -7.390 6.068 1.00 0.95 C ATOM 619 CZ TYR A 41 -17.126 -6.407 6.662 1.00 0.93 C ATOM 620 OH TYR A 41 -16.425 -6.679 7.816 1.00 1.04 O ATOM 0 H TYR A 41 -17.399 -7.268 2.030 1.00 0.83 H new ATOM 0 HA TYR A 41 -19.120 -5.068 1.030 1.00 0.80 H new ATOM 0 HB2 TYR A 41 -19.804 -4.537 3.210 1.00 0.82 H new ATOM 0 HB3 TYR A 41 -20.135 -6.243 2.981 1.00 0.82 H new ATOM 0 HD1 TYR A 41 -17.740 -3.868 4.547 1.00 0.80 H new ATOM 0 HD2 TYR A 41 -19.191 -7.874 4.452 1.00 0.89 H new ATOM 0 HE1 TYR A 41 -16.472 -4.375 6.581 1.00 0.86 H new ATOM 0 HE2 TYR A 41 -17.929 -8.379 6.499 1.00 0.95 H new ATOM 0 HH TYR A 41 -16.633 -6.001 8.493 1.00 1.04 H new ATOM 630 N VAL A 42 -17.274 -3.422 1.514 1.00 0.72 N ATOM 631 CA VAL A 42 -16.111 -2.550 1.584 1.00 0.67 C ATOM 632 C VAL A 42 -15.993 -1.856 2.936 1.00 0.64 C ATOM 633 O VAL A 42 -16.971 -1.308 3.461 1.00 0.68 O ATOM 634 CB VAL A 42 -16.116 -1.483 0.464 1.00 0.69 C ATOM 635 CG1 VAL A 42 -15.991 -2.138 -0.903 1.00 1.28 C ATOM 636 CG2 VAL A 42 -17.366 -0.617 0.532 1.00 1.10 C ATOM 0 H VAL A 42 -18.100 -2.996 1.093 1.00 0.72 H new ATOM 0 HA VAL A 42 -15.247 -3.200 1.447 1.00 0.67 H new ATOM 0 HB VAL A 42 -15.252 -0.836 0.617 1.00 0.69 H new ATOM 0 HG11 VAL A 42 -15.997 -1.370 -1.676 1.00 1.28 H new ATOM 0 HG12 VAL A 42 -15.057 -2.698 -0.954 1.00 1.28 H new ATOM 0 HG13 VAL A 42 -16.830 -2.816 -1.059 1.00 1.28 H new ATOM 0 HG21 VAL A 42 -17.340 0.123 -0.268 1.00 1.10 H new ATOM 0 HG22 VAL A 42 -18.250 -1.244 0.417 1.00 1.10 H new ATOM 0 HG23 VAL A 42 -17.404 -0.109 1.495 1.00 1.10 H new ATOM 646 N LYS A 43 -14.797 -1.914 3.503 1.00 0.61 N ATOM 647 CA LYS A 43 -14.504 -1.267 4.770 1.00 0.60 C ATOM 648 C LYS A 43 -13.351 -0.299 4.562 1.00 0.56 C ATOM 649 O LYS A 43 -12.251 -0.695 4.162 1.00 0.57 O ATOM 650 CB LYS A 43 -14.185 -2.286 5.874 1.00 0.64 C ATOM 651 CG LYS A 43 -13.253 -3.412 5.453 1.00 0.69 C ATOM 652 CD LYS A 43 -12.891 -4.302 6.637 1.00 0.78 C ATOM 653 CE LYS A 43 -14.131 -4.881 7.304 1.00 0.90 C ATOM 654 NZ LYS A 43 -13.824 -5.538 8.602 1.00 1.00 N ATOM 0 H LYS A 43 -14.004 -2.411 3.097 1.00 0.61 H new ATOM 0 HA LYS A 43 -15.387 -0.722 5.105 1.00 0.60 H new ATOM 0 HB2 LYS A 43 -13.738 -1.759 6.717 1.00 0.64 H new ATOM 0 HB3 LYS A 43 -15.120 -2.720 6.229 1.00 0.64 H new ATOM 0 HG2 LYS A 43 -13.730 -4.011 4.677 1.00 0.69 H new ATOM 0 HG3 LYS A 43 -12.345 -2.993 5.019 1.00 0.69 H new ATOM 0 HD2 LYS A 43 -12.247 -5.114 6.299 1.00 0.78 H new ATOM 0 HD3 LYS A 43 -12.321 -3.725 7.366 1.00 0.78 H new ATOM 0 HE2 LYS A 43 -14.858 -4.085 7.466 1.00 0.90 H new ATOM 0 HE3 LYS A 43 -14.595 -5.605 6.635 1.00 0.90 H new ATOM 0 HZ1 LYS A 43 -14.593 -6.193 8.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -12.932 -6.066 8.521 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -13.732 -4.815 9.344 1.00 1.00 H new ATOM 668 N VAL A 44 -13.620 0.972 4.806 1.00 0.55 N ATOM 669 CA VAL A 44 -12.627 2.016 4.609 1.00 0.53 C ATOM 670 C VAL A 44 -11.573 2.023 5.710 1.00 0.53 C ATOM 671 O VAL A 44 -11.897 2.049 6.900 1.00 0.62 O ATOM 672 CB VAL A 44 -13.288 3.408 4.529 1.00 0.59 C ATOM 673 CG1 VAL A 44 -14.250 3.475 3.352 1.00 0.69 C ATOM 674 CG2 VAL A 44 -14.008 3.739 5.828 1.00 0.68 C ATOM 0 H VAL A 44 -14.522 1.308 5.143 1.00 0.55 H new ATOM 0 HA VAL A 44 -12.134 1.794 3.662 1.00 0.53 H new ATOM 0 HB VAL A 44 -12.504 4.150 4.376 1.00 0.59 H new ATOM 0 HG11 VAL A 44 -14.707 4.464 3.311 1.00 0.69 H new ATOM 0 HG12 VAL A 44 -13.706 3.288 2.426 1.00 0.69 H new ATOM 0 HG13 VAL A 44 -15.028 2.721 3.474 1.00 0.69 H new ATOM 0 HG21 VAL A 44 -14.466 4.725 5.749 1.00 0.68 H new ATOM 0 HG22 VAL A 44 -14.781 2.993 6.016 1.00 0.68 H new ATOM 0 HG23 VAL A 44 -13.293 3.736 6.651 1.00 0.68 H new ATOM 684 N PHE A 45 -10.313 1.993 5.299 1.00 0.50 N ATOM 685 CA PHE A 45 -9.195 2.021 6.226 1.00 0.52 C ATOM 686 C PHE A 45 -8.252 3.161 5.857 1.00 0.47 C ATOM 687 O PHE A 45 -8.266 3.652 4.722 1.00 0.52 O ATOM 688 CB PHE A 45 -8.447 0.685 6.218 1.00 0.59 C ATOM 689 CG PHE A 45 -8.948 -0.294 7.239 1.00 0.70 C ATOM 690 CD1 PHE A 45 -8.673 -0.112 8.584 1.00 0.88 C ATOM 691 CD2 PHE A 45 -9.697 -1.393 6.853 1.00 0.84 C ATOM 692 CE1 PHE A 45 -9.136 -1.009 9.527 1.00 1.02 C ATOM 693 CE2 PHE A 45 -10.163 -2.292 7.792 1.00 0.96 C ATOM 694 CZ PHE A 45 -9.883 -2.100 9.129 1.00 0.99 C ATOM 0 H PHE A 45 -10.040 1.949 4.317 1.00 0.50 H new ATOM 0 HA PHE A 45 -9.579 2.185 7.233 1.00 0.52 H new ATOM 0 HB2 PHE A 45 -8.531 0.238 5.227 1.00 0.59 H new ATOM 0 HB3 PHE A 45 -7.388 0.871 6.395 1.00 0.59 H new ATOM 0 HD1 PHE A 45 -8.090 0.741 8.899 1.00 0.88 H new ATOM 0 HD2 PHE A 45 -9.919 -1.549 5.808 1.00 0.84 H new ATOM 0 HE1 PHE A 45 -8.914 -0.857 10.573 1.00 1.02 H new ATOM 0 HE2 PHE A 45 -10.747 -3.145 7.480 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.248 -2.802 9.864 1.00 0.99 H new ATOM 704 N LEU A 46 -7.431 3.577 6.810 1.00 0.45 N ATOM 705 CA LEU A 46 -6.496 4.670 6.592 1.00 0.42 C ATOM 706 C LEU A 46 -5.102 4.312 7.089 1.00 0.45 C ATOM 707 O LEU A 46 -4.933 3.399 7.904 1.00 0.50 O ATOM 708 CB LEU A 46 -6.981 5.928 7.327 1.00 0.43 C ATOM 709 CG LEU A 46 -7.573 7.035 6.451 1.00 0.46 C ATOM 710 CD1 LEU A 46 -6.492 7.685 5.602 1.00 0.60 C ATOM 711 CD2 LEU A 46 -8.692 6.491 5.574 1.00 0.60 C ATOM 0 H LEU A 46 -7.394 3.172 7.745 1.00 0.45 H new ATOM 0 HA LEU A 46 -6.448 4.858 5.519 1.00 0.42 H new ATOM 0 HB2 LEU A 46 -7.733 5.630 8.057 1.00 0.43 H new ATOM 0 HB3 LEU A 46 -6.142 6.344 7.885 1.00 0.43 H new ATOM 0 HG LEU A 46 -7.996 7.796 7.107 1.00 0.46 H new ATOM 0 HD11 LEU A 46 -6.934 8.469 4.987 1.00 0.60 H new ATOM 0 HD12 LEU A 46 -5.731 8.119 6.251 1.00 0.60 H new ATOM 0 HD13 LEU A 46 -6.034 6.934 4.958 1.00 0.60 H new ATOM 0 HD21 LEU A 46 -9.097 7.296 4.960 1.00 0.60 H new ATOM 0 HD22 LEU A 46 -8.299 5.705 4.929 1.00 0.60 H new ATOM 0 HD23 LEU A 46 -9.482 6.082 6.204 1.00 0.60 H new ATOM 723 N LEU A 47 -4.109 5.025 6.570 1.00 0.44 N ATOM 724 CA LEU A 47 -2.720 4.843 6.981 1.00 0.49 C ATOM 725 C LEU A 47 -2.587 5.262 8.457 1.00 0.52 C ATOM 726 O LEU A 47 -3.608 5.452 9.118 1.00 0.52 O ATOM 727 CB LEU A 47 -1.816 5.691 6.074 1.00 0.51 C ATOM 728 CG LEU A 47 -1.568 7.130 6.548 1.00 0.50 C ATOM 729 CD1 LEU A 47 -0.532 7.804 5.668 1.00 0.56 C ATOM 730 CD2 LEU A 47 -2.867 7.923 6.569 1.00 0.47 C ATOM 0 H LEU A 47 -4.242 5.742 5.857 1.00 0.44 H new ATOM 0 HA LEU A 47 -2.416 3.800 6.886 1.00 0.49 H new ATOM 0 HB2 LEU A 47 -0.854 5.188 5.977 1.00 0.51 H new ATOM 0 HB3 LEU A 47 -2.259 5.726 5.079 1.00 0.51 H new ATOM 0 HG LEU A 47 -1.181 7.098 7.567 1.00 0.50 H new ATOM 0 HD11 LEU A 47 -0.367 8.824 6.016 1.00 0.56 H new ATOM 0 HD12 LEU A 47 0.404 7.248 5.717 1.00 0.56 H new ATOM 0 HD13 LEU A 47 -0.888 7.826 4.638 1.00 0.56 H new ATOM 0 HD21 LEU A 47 -2.667 8.940 6.908 1.00 0.47 H new ATOM 0 HD22 LEU A 47 -3.292 7.952 5.566 1.00 0.47 H new ATOM 0 HD23 LEU A 47 -3.573 7.446 7.248 1.00 0.47 H new ATOM 742 N PRO A 48 -1.349 5.408 9.008 1.00 0.58 N ATOM 743 CA PRO A 48 -1.121 5.827 10.386 1.00 0.63 C ATOM 744 C PRO A 48 -2.273 6.652 10.968 1.00 0.59 C ATOM 745 O PRO A 48 -2.679 6.432 12.109 1.00 0.63 O ATOM 746 CB PRO A 48 0.146 6.675 10.250 1.00 0.70 C ATOM 747 CG PRO A 48 0.862 6.145 9.039 1.00 0.79 C ATOM 748 CD PRO A 48 -0.057 5.153 8.365 1.00 0.63 C ATOM 0 HA PRO A 48 -1.037 4.983 11.071 1.00 0.63 H new ATOM 0 HB2 PRO A 48 -0.100 7.730 10.129 1.00 0.70 H new ATOM 0 HB3 PRO A 48 0.769 6.593 11.140 1.00 0.70 H new ATOM 0 HG2 PRO A 48 1.115 6.957 8.358 1.00 0.79 H new ATOM 0 HG3 PRO A 48 1.798 5.666 9.326 1.00 0.79 H new ATOM 0 HD2 PRO A 48 -0.104 5.314 7.288 1.00 0.63 H new ATOM 0 HD3 PRO A 48 0.275 4.126 8.520 1.00 0.63 H new ATOM 756 N ASP A 49 -2.781 7.600 10.171 1.00 0.53 N ATOM 757 CA ASP A 49 -3.901 8.459 10.568 1.00 0.51 C ATOM 758 C ASP A 49 -4.949 7.657 11.338 1.00 0.53 C ATOM 759 O ASP A 49 -5.237 7.947 12.499 1.00 0.59 O ATOM 760 CB ASP A 49 -4.539 9.088 9.318 1.00 0.48 C ATOM 761 CG ASP A 49 -5.834 9.836 9.605 1.00 0.50 C ATOM 762 OD1 ASP A 49 -5.766 11.048 9.909 1.00 0.57 O ATOM 763 OD2 ASP A 49 -6.923 9.225 9.502 1.00 0.50 O ATOM 0 H ASP A 49 -2.427 7.792 9.234 1.00 0.53 H new ATOM 0 HA ASP A 49 -3.523 9.247 11.219 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -3.826 9.775 8.863 1.00 0.48 H new ATOM 0 HB3 ASP A 49 -4.737 8.304 8.587 1.00 0.48 H new ATOM 768 N LYS A 50 -5.498 6.639 10.676 1.00 0.51 N ATOM 769 CA LYS A 50 -6.513 5.761 11.267 1.00 0.56 C ATOM 770 C LYS A 50 -7.646 6.535 11.955 1.00 0.58 C ATOM 771 O LYS A 50 -8.367 5.970 12.778 1.00 0.65 O ATOM 772 CB LYS A 50 -5.858 4.802 12.269 1.00 0.65 C ATOM 773 CG LYS A 50 -5.091 3.657 11.621 1.00 0.84 C ATOM 774 CD LYS A 50 -6.013 2.693 10.879 1.00 1.04 C ATOM 775 CE LYS A 50 -6.992 2.002 11.821 1.00 1.27 C ATOM 776 NZ LYS A 50 -6.304 1.176 12.854 1.00 1.47 N ATOM 0 H LYS A 50 -5.253 6.398 9.716 1.00 0.51 H new ATOM 0 HA LYS A 50 -6.961 5.200 10.447 1.00 0.56 H new ATOM 0 HB2 LYS A 50 -5.177 5.367 12.905 1.00 0.65 H new ATOM 0 HB3 LYS A 50 -6.630 4.387 12.917 1.00 0.65 H new ATOM 0 HG2 LYS A 50 -4.356 4.062 10.926 1.00 0.84 H new ATOM 0 HG3 LYS A 50 -4.539 3.112 12.387 1.00 0.84 H new ATOM 0 HD2 LYS A 50 -6.568 3.237 10.115 1.00 1.04 H new ATOM 0 HD3 LYS A 50 -5.414 1.942 10.364 1.00 1.04 H new ATOM 0 HE2 LYS A 50 -7.609 2.753 12.313 1.00 1.27 H new ATOM 0 HE3 LYS A 50 -7.663 1.368 11.241 1.00 1.27 H new ATOM 0 HZ1 LYS A 50 -7.005 0.597 13.359 1.00 1.47 H new ATOM 0 HZ2 LYS A 50 -5.608 0.555 12.395 1.00 1.47 H new ATOM 0 HZ3 LYS A 50 -5.818 1.799 13.530 1.00 1.47 H new ATOM 790 N LYS A 51 -7.840 7.800 11.594 1.00 0.55 N ATOM 791 CA LYS A 51 -8.884 8.612 12.208 1.00 0.60 C ATOM 792 C LYS A 51 -10.163 8.542 11.382 1.00 0.58 C ATOM 793 O LYS A 51 -10.646 9.557 10.875 1.00 0.60 O ATOM 794 CB LYS A 51 -8.425 10.066 12.351 1.00 0.64 C ATOM 795 CG LYS A 51 -7.340 10.261 13.398 1.00 0.84 C ATOM 796 CD LYS A 51 -7.130 11.735 13.712 1.00 0.83 C ATOM 797 CE LYS A 51 -6.547 12.483 12.525 1.00 0.91 C ATOM 798 NZ LYS A 51 -6.432 13.944 12.782 1.00 1.26 N ATOM 0 H LYS A 51 -7.291 8.283 10.883 1.00 0.55 H new ATOM 0 HA LYS A 51 -9.086 8.215 13.203 1.00 0.60 H new ATOM 0 HB2 LYS A 51 -8.056 10.418 11.388 1.00 0.64 H new ATOM 0 HB3 LYS A 51 -9.284 10.686 12.610 1.00 0.64 H new ATOM 0 HG2 LYS A 51 -7.612 9.728 14.309 1.00 0.84 H new ATOM 0 HG3 LYS A 51 -6.406 9.827 13.042 1.00 0.84 H new ATOM 0 HD2 LYS A 51 -8.081 12.186 13.995 1.00 0.83 H new ATOM 0 HD3 LYS A 51 -6.463 11.834 14.568 1.00 0.83 H new ATOM 0 HE2 LYS A 51 -5.562 12.078 12.291 1.00 0.91 H new ATOM 0 HE3 LYS A 51 -7.175 12.318 11.650 1.00 0.91 H new ATOM 0 HZ1 LYS A 51 -5.599 14.319 12.285 1.00 1.26 H new ATOM 0 HZ2 LYS A 51 -7.287 14.426 12.437 1.00 1.26 H new ATOM 0 HZ3 LYS A 51 -6.330 14.110 13.804 1.00 1.26 H new ATOM 812 N LYS A 52 -10.682 7.329 11.220 1.00 0.57 N ATOM 813 CA LYS A 52 -11.900 7.092 10.448 1.00 0.59 C ATOM 814 C LYS A 52 -12.103 5.593 10.232 1.00 0.62 C ATOM 815 O LYS A 52 -11.215 4.910 9.721 1.00 0.76 O ATOM 816 CB LYS A 52 -11.849 7.818 9.094 1.00 0.57 C ATOM 817 CG LYS A 52 -10.518 7.683 8.363 1.00 0.53 C ATOM 818 CD LYS A 52 -10.375 8.715 7.253 1.00 0.55 C ATOM 819 CE LYS A 52 -10.297 10.141 7.792 1.00 0.57 C ATOM 820 NZ LYS A 52 -9.267 10.302 8.860 1.00 0.53 N ATOM 0 H LYS A 52 -10.273 6.484 11.618 1.00 0.57 H new ATOM 0 HA LYS A 52 -12.742 7.490 11.015 1.00 0.59 H new ATOM 0 HB2 LYS A 52 -12.642 7.429 8.456 1.00 0.57 H new ATOM 0 HB3 LYS A 52 -12.058 8.876 9.253 1.00 0.57 H new ATOM 0 HG2 LYS A 52 -9.700 7.798 9.074 1.00 0.53 H new ATOM 0 HG3 LYS A 52 -10.435 6.681 7.941 1.00 0.53 H new ATOM 0 HD2 LYS A 52 -9.478 8.499 6.673 1.00 0.55 H new ATOM 0 HD3 LYS A 52 -11.222 8.632 6.572 1.00 0.55 H new ATOM 0 HE2 LYS A 52 -10.072 10.822 6.972 1.00 0.57 H new ATOM 0 HE3 LYS A 52 -11.271 10.429 8.187 1.00 0.57 H new ATOM 0 HZ1 LYS A 52 -8.773 11.208 8.732 1.00 0.53 H new ATOM 0 HZ2 LYS A 52 -9.728 10.287 9.792 1.00 0.53 H new ATOM 0 HZ3 LYS A 52 -8.581 9.523 8.801 1.00 0.53 H new ATOM 834 N LYS A 53 -13.261 5.090 10.644 1.00 0.62 N ATOM 835 CA LYS A 53 -13.580 3.675 10.503 1.00 0.66 C ATOM 836 C LYS A 53 -15.049 3.496 10.123 1.00 0.68 C ATOM 837 O LYS A 53 -15.941 3.744 10.936 1.00 0.87 O ATOM 838 CB LYS A 53 -13.273 2.936 11.810 1.00 0.74 C ATOM 839 CG LYS A 53 -13.476 1.430 11.734 1.00 0.81 C ATOM 840 CD LYS A 53 -13.022 0.740 13.012 1.00 0.93 C ATOM 841 CE LYS A 53 -13.821 1.211 14.218 1.00 1.07 C ATOM 842 NZ LYS A 53 -13.347 0.586 15.479 1.00 1.30 N ATOM 0 H LYS A 53 -13.998 5.645 11.080 1.00 0.62 H new ATOM 0 HA LYS A 53 -12.965 3.254 9.708 1.00 0.66 H new ATOM 0 HB2 LYS A 53 -12.241 3.139 12.096 1.00 0.74 H new ATOM 0 HB3 LYS A 53 -13.907 3.338 12.600 1.00 0.74 H new ATOM 0 HG2 LYS A 53 -14.529 1.212 11.556 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -12.920 1.029 10.886 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -13.131 -0.339 12.902 1.00 0.93 H new ATOM 0 HD3 LYS A 53 -11.963 0.938 13.177 1.00 0.93 H new ATOM 0 HE2 LYS A 53 -13.747 2.295 14.301 1.00 1.07 H new ATOM 0 HE3 LYS A 53 -14.875 0.974 14.070 1.00 1.07 H new ATOM 0 HZ1 LYS A 53 -13.918 0.934 16.275 1.00 1.30 H new ATOM 0 HZ2 LYS A 53 -13.441 -0.447 15.411 1.00 1.30 H new ATOM 0 HZ3 LYS A 53 -12.349 0.833 15.635 1.00 1.30 H new ATOM 856 N PHE A 54 -15.292 3.082 8.884 1.00 0.64 N ATOM 857 CA PHE A 54 -16.653 2.874 8.394 1.00 0.66 C ATOM 858 C PHE A 54 -16.779 1.502 7.735 1.00 0.66 C ATOM 859 O PHE A 54 -15.916 1.100 6.949 1.00 0.66 O ATOM 860 CB PHE A 54 -17.035 3.980 7.400 1.00 0.69 C ATOM 861 CG PHE A 54 -18.476 3.936 6.969 1.00 0.74 C ATOM 862 CD1 PHE A 54 -18.900 3.027 6.010 1.00 0.78 C ATOM 863 CD2 PHE A 54 -19.405 4.801 7.522 1.00 0.94 C ATOM 864 CE1 PHE A 54 -20.221 2.981 5.614 1.00 0.89 C ATOM 865 CE2 PHE A 54 -20.729 4.759 7.129 1.00 1.05 C ATOM 866 CZ PHE A 54 -21.137 3.849 6.174 1.00 0.98 C ATOM 0 H PHE A 54 -14.564 2.883 8.198 1.00 0.64 H new ATOM 0 HA PHE A 54 -17.337 2.915 9.242 1.00 0.66 H new ATOM 0 HB2 PHE A 54 -16.830 4.950 7.853 1.00 0.69 H new ATOM 0 HB3 PHE A 54 -16.399 3.899 6.519 1.00 0.69 H new ATOM 0 HD1 PHE A 54 -18.187 2.347 5.568 1.00 0.78 H new ATOM 0 HD2 PHE A 54 -19.092 5.516 8.268 1.00 0.94 H new ATOM 0 HE1 PHE A 54 -20.538 2.268 4.868 1.00 0.89 H new ATOM 0 HE2 PHE A 54 -21.445 5.438 7.569 1.00 1.05 H new ATOM 0 HZ PHE A 54 -22.171 3.816 5.865 1.00 0.98 H new ATOM 876 N GLU A 55 -17.855 0.791 8.065 1.00 0.70 N ATOM 877 CA GLU A 55 -18.103 -0.534 7.515 1.00 0.72 C ATOM 878 C GLU A 55 -19.435 -0.559 6.765 1.00 0.74 C ATOM 879 O GLU A 55 -20.488 -0.262 7.337 1.00 0.81 O ATOM 880 CB GLU A 55 -18.097 -1.580 8.633 1.00 0.77 C ATOM 881 CG GLU A 55 -18.185 -3.010 8.129 1.00 0.84 C ATOM 882 CD GLU A 55 -17.858 -4.031 9.202 1.00 0.93 C ATOM 883 OE1 GLU A 55 -18.743 -4.344 10.023 1.00 1.11 O ATOM 884 OE2 GLU A 55 -16.716 -4.542 9.218 1.00 0.97 O ATOM 0 H GLU A 55 -18.571 1.115 8.715 1.00 0.70 H new ATOM 0 HA GLU A 55 -17.307 -0.774 6.810 1.00 0.72 H new ATOM 0 HB2 GLU A 55 -17.186 -1.466 9.221 1.00 0.77 H new ATOM 0 HB3 GLU A 55 -18.935 -1.388 9.303 1.00 0.77 H new ATOM 0 HG2 GLU A 55 -19.190 -3.196 7.751 1.00 0.84 H new ATOM 0 HG3 GLU A 55 -17.500 -3.138 7.291 1.00 0.84 H new ATOM 891 N THR A 56 -19.383 -0.906 5.485 1.00 0.72 N ATOM 892 CA THR A 56 -20.582 -0.956 4.658 1.00 0.75 C ATOM 893 C THR A 56 -21.423 -2.190 4.976 1.00 0.80 C ATOM 894 O THR A 56 -20.927 -3.171 5.546 1.00 0.81 O ATOM 895 CB THR A 56 -20.244 -0.945 3.149 1.00 0.75 C ATOM 896 OG1 THR A 56 -19.275 -1.958 2.839 1.00 0.73 O ATOM 897 CG2 THR A 56 -19.716 0.417 2.720 1.00 0.75 C ATOM 0 H THR A 56 -18.523 -1.157 4.997 1.00 0.72 H new ATOM 0 HA THR A 56 -21.156 -0.059 4.892 1.00 0.75 H new ATOM 0 HB THR A 56 -21.163 -1.153 2.602 1.00 0.75 H new ATOM 0 HG1 THR A 56 -18.378 -1.631 3.060 1.00 0.73 H new ATOM 0 HG21 THR A 56 -19.486 0.399 1.655 1.00 0.75 H new ATOM 0 HG22 THR A 56 -20.472 1.178 2.915 1.00 0.75 H new ATOM 0 HG23 THR A 56 -18.812 0.651 3.283 1.00 0.75 H new ATOM 905 N LYS A 57 -22.701 -2.125 4.625 1.00 0.86 N ATOM 906 CA LYS A 57 -23.616 -3.234 4.851 1.00 0.91 C ATOM 907 C LYS A 57 -23.182 -4.451 4.034 1.00 0.91 C ATOM 908 O LYS A 57 -22.838 -4.321 2.855 1.00 0.92 O ATOM 909 CB LYS A 57 -25.043 -2.835 4.466 1.00 0.97 C ATOM 910 CG LYS A 57 -26.058 -3.954 4.637 1.00 1.05 C ATOM 911 CD LYS A 57 -27.039 -4.012 3.477 1.00 1.15 C ATOM 912 CE LYS A 57 -27.986 -5.199 3.604 1.00 1.29 C ATOM 913 NZ LYS A 57 -27.268 -6.505 3.579 1.00 1.43 N ATOM 0 H LYS A 57 -23.128 -1.312 4.181 1.00 0.86 H new ATOM 0 HA LYS A 57 -23.594 -3.489 5.911 1.00 0.91 H new ATOM 0 HB2 LYS A 57 -25.349 -1.983 5.073 1.00 0.97 H new ATOM 0 HB3 LYS A 57 -25.051 -2.505 3.427 1.00 0.97 H new ATOM 0 HG2 LYS A 57 -25.537 -4.908 4.719 1.00 1.05 H new ATOM 0 HG3 LYS A 57 -26.605 -3.808 5.568 1.00 1.05 H new ATOM 0 HD2 LYS A 57 -27.616 -3.088 3.440 1.00 1.15 H new ATOM 0 HD3 LYS A 57 -26.490 -4.082 2.538 1.00 1.15 H new ATOM 0 HE2 LYS A 57 -28.548 -5.114 4.534 1.00 1.29 H new ATOM 0 HE3 LYS A 57 -28.711 -5.171 2.790 1.00 1.29 H new ATOM 0 HZ1 LYS A 57 -27.918 -7.253 3.263 1.00 1.43 H new ATOM 0 HZ2 LYS A 57 -26.463 -6.446 2.923 1.00 1.43 H new ATOM 0 HZ3 LYS A 57 -26.921 -6.729 4.533 1.00 1.43 H new ATOM 927 N VAL A 58 -23.204 -5.623 4.661 1.00 0.95 N ATOM 928 CA VAL A 58 -22.818 -6.857 3.989 1.00 0.97 C ATOM 929 C VAL A 58 -23.713 -7.100 2.774 1.00 0.99 C ATOM 930 O VAL A 58 -24.848 -6.610 2.717 1.00 1.09 O ATOM 931 CB VAL A 58 -22.879 -8.075 4.947 1.00 1.03 C ATOM 932 CG1 VAL A 58 -24.293 -8.291 5.472 1.00 1.07 C ATOM 933 CG2 VAL A 58 -22.361 -9.334 4.261 1.00 1.08 C ATOM 0 H VAL A 58 -23.485 -5.743 5.634 1.00 0.95 H new ATOM 0 HA VAL A 58 -21.785 -6.744 3.659 1.00 0.97 H new ATOM 0 HB VAL A 58 -22.233 -7.860 5.798 1.00 1.03 H new ATOM 0 HG11 VAL A 58 -24.305 -9.151 6.141 1.00 1.07 H new ATOM 0 HG12 VAL A 58 -24.619 -7.404 6.016 1.00 1.07 H new ATOM 0 HG13 VAL A 58 -24.968 -8.472 4.636 1.00 1.07 H new ATOM 0 HG21 VAL A 58 -22.414 -10.174 4.954 1.00 1.08 H new ATOM 0 HG22 VAL A 58 -22.972 -9.548 3.384 1.00 1.08 H new ATOM 0 HG23 VAL A 58 -21.326 -9.182 3.954 1.00 1.08 H new ATOM 943 N HIS A 59 -23.198 -7.838 1.800 1.00 1.00 N ATOM 944 CA HIS A 59 -23.949 -8.136 0.587 1.00 1.04 C ATOM 945 C HIS A 59 -24.133 -9.642 0.441 1.00 1.07 C ATOM 946 O HIS A 59 -23.273 -10.340 -0.092 1.00 1.09 O ATOM 947 CB HIS A 59 -23.241 -7.539 -0.633 1.00 1.05 C ATOM 948 CG HIS A 59 -22.879 -6.095 -0.447 1.00 1.03 C ATOM 949 ND1 HIS A 59 -21.580 -5.644 -0.427 1.00 0.99 N ATOM 950 CD2 HIS A 59 -23.655 -5.005 -0.233 1.00 1.06 C ATOM 951 CE1 HIS A 59 -21.569 -4.344 -0.210 1.00 0.99 C ATOM 952 NE2 HIS A 59 -22.816 -3.926 -0.089 1.00 1.04 N ATOM 0 H HIS A 59 -22.262 -8.242 1.826 1.00 1.00 H new ATOM 0 HA HIS A 59 -24.937 -7.682 0.656 1.00 1.04 H new ATOM 0 HB2 HIS A 59 -22.337 -8.112 -0.839 1.00 1.05 H new ATOM 0 HB3 HIS A 59 -23.886 -7.637 -1.506 1.00 1.05 H new ATOM 0 HD1 HIS A 59 -20.753 -6.226 -0.560 1.00 0.99 H new ATOM 0 HD2 HIS A 59 -24.734 -4.987 -0.185 1.00 1.06 H new ATOM 0 HE1 HIS A 59 -20.687 -3.724 -0.142 1.00 0.99 H new ATOM 961 N ARG A 60 -25.263 -10.123 0.941 1.00 1.11 N ATOM 962 CA ARG A 60 -25.602 -11.545 0.919 1.00 1.16 C ATOM 963 C ARG A 60 -25.442 -12.174 -0.468 1.00 1.16 C ATOM 964 O ARG A 60 -26.240 -11.922 -1.373 1.00 1.21 O ATOM 965 CB ARG A 60 -27.034 -11.747 1.427 1.00 1.23 C ATOM 966 CG ARG A 60 -28.051 -10.857 0.729 1.00 1.27 C ATOM 967 CD ARG A 60 -28.952 -11.655 -0.196 1.00 1.33 C ATOM 968 NE ARG A 60 -30.276 -11.868 0.387 1.00 1.42 N ATOM 969 CZ ARG A 60 -31.400 -12.003 -0.322 1.00 1.71 C ATOM 970 NH1 ARG A 60 -31.364 -12.017 -1.653 1.00 1.93 N ATOM 971 NH2 ARG A 60 -32.564 -12.141 0.306 1.00 2.07 N ATOM 0 H ARG A 60 -25.976 -9.537 1.376 1.00 1.11 H new ATOM 0 HA ARG A 60 -24.897 -12.052 1.578 1.00 1.16 H new ATOM 0 HB2 ARG A 60 -27.318 -12.790 1.287 1.00 1.23 H new ATOM 0 HB3 ARG A 60 -27.063 -11.549 2.499 1.00 1.23 H new ATOM 0 HG2 ARG A 60 -28.658 -10.343 1.475 1.00 1.27 H new ATOM 0 HG3 ARG A 60 -27.531 -10.089 0.157 1.00 1.27 H new ATOM 0 HD2 ARG A 60 -29.053 -11.131 -1.146 1.00 1.33 H new ATOM 0 HD3 ARG A 60 -28.490 -12.619 -0.411 1.00 1.33 H new ATOM 0 HE ARG A 60 -30.346 -11.917 1.403 1.00 1.42 H new ATOM 0 HH11 ARG A 60 -30.473 -11.924 -2.140 1.00 1.93 H new ATOM 0 HH12 ARG A 60 -32.228 -12.121 -2.185 1.00 1.93 H new ATOM 0 HH21 ARG A 60 -32.596 -12.143 1.325 1.00 2.07 H new ATOM 0 HH22 ARG A 60 -33.425 -12.244 -0.232 1.00 2.07 H new ATOM 985 N LYS A 61 -24.398 -12.988 -0.612 1.00 1.15 N ATOM 986 CA LYS A 61 -24.108 -13.714 -1.850 1.00 1.19 C ATOM 987 C LYS A 61 -24.197 -12.825 -3.091 1.00 1.18 C ATOM 988 O LYS A 61 -25.242 -12.752 -3.745 1.00 1.23 O ATOM 989 CB LYS A 61 -25.061 -14.909 -1.997 1.00 1.28 C ATOM 990 CG LYS A 61 -25.304 -15.667 -0.699 1.00 1.30 C ATOM 991 CD LYS A 61 -24.004 -16.166 -0.090 1.00 1.27 C ATOM 992 CE LYS A 61 -24.137 -16.388 1.409 1.00 1.27 C ATOM 993 NZ LYS A 61 -22.841 -16.209 2.117 1.00 1.24 N ATOM 0 H LYS A 61 -23.723 -13.165 0.132 1.00 1.15 H new ATOM 0 HA LYS A 61 -23.079 -14.065 -1.777 1.00 1.19 H new ATOM 0 HB2 LYS A 61 -26.016 -14.554 -2.383 1.00 1.28 H new ATOM 0 HB3 LYS A 61 -24.654 -15.597 -2.738 1.00 1.28 H new ATOM 0 HG2 LYS A 61 -25.814 -15.017 0.012 1.00 1.30 H new ATOM 0 HG3 LYS A 61 -25.965 -16.512 -0.889 1.00 1.30 H new ATOM 0 HD2 LYS A 61 -23.710 -17.099 -0.572 1.00 1.27 H new ATOM 0 HD3 LYS A 61 -23.211 -15.444 -0.283 1.00 1.27 H new ATOM 0 HE2 LYS A 61 -24.871 -15.692 1.815 1.00 1.27 H new ATOM 0 HE3 LYS A 61 -24.515 -17.393 1.594 1.00 1.27 H new ATOM 0 HZ1 LYS A 61 -22.995 -16.269 3.144 1.00 1.24 H new ATOM 0 HZ2 LYS A 61 -22.179 -16.955 1.822 1.00 1.24 H new ATOM 0 HZ3 LYS A 61 -22.442 -15.278 1.880 1.00 1.24 H new ATOM 1007 N THR A 62 -23.102 -12.148 -3.411 1.00 1.14 N ATOM 1008 CA THR A 62 -23.053 -11.287 -4.588 1.00 1.14 C ATOM 1009 C THR A 62 -21.628 -10.827 -4.885 1.00 1.11 C ATOM 1010 O THR A 62 -20.854 -10.528 -3.972 1.00 1.09 O ATOM 1011 CB THR A 62 -23.971 -10.053 -4.440 1.00 1.13 C ATOM 1012 OG1 THR A 62 -23.801 -9.174 -5.562 1.00 1.15 O ATOM 1013 CG2 THR A 62 -23.675 -9.299 -3.155 1.00 1.10 C ATOM 0 H THR A 62 -22.236 -12.178 -2.873 1.00 1.14 H new ATOM 0 HA THR A 62 -23.414 -11.888 -5.423 1.00 1.14 H new ATOM 0 HB THR A 62 -25.002 -10.405 -4.404 1.00 1.13 H new ATOM 0 HG1 THR A 62 -24.495 -8.482 -5.544 1.00 1.15 H new ATOM 0 HG21 THR A 62 -24.337 -8.436 -3.079 1.00 1.10 H new ATOM 0 HG22 THR A 62 -23.837 -9.957 -2.301 1.00 1.10 H new ATOM 0 HG23 THR A 62 -22.638 -8.962 -3.161 1.00 1.10 H new ATOM 1021 N LEU A 63 -21.288 -10.796 -6.169 1.00 1.14 N ATOM 1022 CA LEU A 63 -19.970 -10.362 -6.614 1.00 1.12 C ATOM 1023 C LEU A 63 -20.087 -9.101 -7.475 1.00 1.11 C ATOM 1024 O LEU A 63 -19.137 -8.716 -8.167 1.00 1.11 O ATOM 1025 CB LEU A 63 -19.280 -11.477 -7.410 1.00 1.19 C ATOM 1026 CG LEU A 63 -19.198 -12.835 -6.707 1.00 1.23 C ATOM 1027 CD1 LEU A 63 -18.453 -13.845 -7.569 1.00 1.29 C ATOM 1028 CD2 LEU A 63 -18.535 -12.693 -5.346 1.00 1.19 C ATOM 0 H LEU A 63 -21.914 -11.069 -6.926 1.00 1.14 H new ATOM 0 HA LEU A 63 -19.368 -10.134 -5.734 1.00 1.12 H new ATOM 0 HB2 LEU A 63 -19.810 -11.607 -8.354 1.00 1.19 H new ATOM 0 HB3 LEU A 63 -18.269 -11.152 -7.655 1.00 1.19 H new ATOM 0 HG LEU A 63 -20.213 -13.204 -6.556 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -18.407 -14.802 -7.050 1.00 1.29 H new ATOM 0 HD12 LEU A 63 -18.977 -13.971 -8.517 1.00 1.29 H new ATOM 0 HD13 LEU A 63 -17.441 -13.486 -7.758 1.00 1.29 H new ATOM 0 HD21 LEU A 63 -18.486 -13.668 -4.862 1.00 1.19 H new ATOM 0 HD22 LEU A 63 -17.527 -12.299 -5.472 1.00 1.19 H new ATOM 0 HD23 LEU A 63 -19.117 -12.010 -4.727 1.00 1.19 H new ATOM 1040 N ASN A 64 -21.258 -8.461 -7.428 1.00 1.11 N ATOM 1041 CA ASN A 64 -21.516 -7.246 -8.195 1.00 1.12 C ATOM 1042 C ASN A 64 -22.691 -6.480 -7.574 1.00 1.12 C ATOM 1043 O ASN A 64 -23.711 -6.252 -8.223 1.00 1.18 O ATOM 1044 CB ASN A 64 -21.824 -7.608 -9.655 1.00 1.20 C ATOM 1045 CG ASN A 64 -22.121 -6.396 -10.523 1.00 1.36 C ATOM 1046 OD1 ASN A 64 -21.473 -5.355 -10.407 1.00 1.60 O ATOM 1047 ND2 ASN A 64 -23.108 -6.524 -11.396 1.00 1.48 N ATOM 0 H ASN A 64 -22.047 -8.770 -6.860 1.00 1.11 H new ATOM 0 HA ASN A 64 -20.632 -6.609 -8.172 1.00 1.12 H new ATOM 0 HB2 ASN A 64 -20.976 -8.149 -10.075 1.00 1.20 H new ATOM 0 HB3 ASN A 64 -22.678 -8.284 -9.682 1.00 1.20 H new ATOM 0 HD21 ASN A 64 -23.356 -5.743 -12.004 1.00 1.48 H new ATOM 0 HD22 ASN A 64 -23.621 -7.403 -11.461 1.00 1.48 H new ATOM 1054 N PRO A 65 -22.571 -6.094 -6.293 1.00 1.09 N ATOM 1055 CA PRO A 65 -23.618 -5.382 -5.579 1.00 1.12 C ATOM 1056 C PRO A 65 -23.439 -3.862 -5.579 1.00 1.07 C ATOM 1057 O PRO A 65 -22.337 -3.349 -5.348 1.00 1.06 O ATOM 1058 CB PRO A 65 -23.458 -5.936 -4.166 1.00 1.17 C ATOM 1059 CG PRO A 65 -21.993 -6.228 -4.023 1.00 1.12 C ATOM 1060 CD PRO A 65 -21.412 -6.329 -5.418 1.00 1.08 C ATOM 0 HA PRO A 65 -24.599 -5.528 -6.032 1.00 1.12 H new ATOM 0 HB2 PRO A 65 -23.791 -5.214 -3.420 1.00 1.17 H new ATOM 0 HB3 PRO A 65 -24.055 -6.837 -4.026 1.00 1.17 H new ATOM 0 HG2 PRO A 65 -21.498 -5.439 -3.457 1.00 1.12 H new ATOM 0 HG3 PRO A 65 -21.839 -7.157 -3.475 1.00 1.12 H new ATOM 0 HD2 PRO A 65 -20.630 -5.588 -5.581 1.00 1.08 H new ATOM 0 HD3 PRO A 65 -20.966 -7.308 -5.597 1.00 1.08 H new ATOM 1068 N VAL A 66 -24.531 -3.150 -5.839 1.00 1.08 N ATOM 1069 CA VAL A 66 -24.525 -1.692 -5.837 1.00 1.06 C ATOM 1070 C VAL A 66 -24.962 -1.188 -4.465 1.00 1.05 C ATOM 1071 O VAL A 66 -25.755 -1.851 -3.789 1.00 1.11 O ATOM 1072 CB VAL A 66 -25.457 -1.104 -6.926 1.00 1.16 C ATOM 1073 CG1 VAL A 66 -25.080 -1.631 -8.302 1.00 1.19 C ATOM 1074 CG2 VAL A 66 -26.917 -1.410 -6.621 1.00 1.26 C ATOM 0 H VAL A 66 -25.438 -3.564 -6.055 1.00 1.08 H new ATOM 0 HA VAL A 66 -23.510 -1.362 -6.059 1.00 1.06 H new ATOM 0 HB VAL A 66 -25.329 -0.022 -6.924 1.00 1.16 H new ATOM 0 HG11 VAL A 66 -25.748 -1.205 -9.050 1.00 1.19 H new ATOM 0 HG12 VAL A 66 -24.052 -1.349 -8.530 1.00 1.19 H new ATOM 0 HG13 VAL A 66 -25.170 -2.717 -8.313 1.00 1.19 H new ATOM 0 HG21 VAL A 66 -27.548 -0.986 -7.402 1.00 1.26 H new ATOM 0 HG22 VAL A 66 -27.062 -2.490 -6.584 1.00 1.26 H new ATOM 0 HG23 VAL A 66 -27.187 -0.974 -5.659 1.00 1.26 H new ATOM 1084 N PHE A 67 -24.454 -0.034 -4.041 1.00 1.05 N ATOM 1085 CA PHE A 67 -24.819 0.489 -2.728 1.00 1.05 C ATOM 1086 C PHE A 67 -24.811 2.014 -2.666 1.00 1.04 C ATOM 1087 O PHE A 67 -25.730 2.610 -2.106 1.00 1.10 O ATOM 1088 CB PHE A 67 -23.883 -0.072 -1.657 1.00 1.01 C ATOM 1089 CG PHE A 67 -24.562 -0.282 -0.333 1.00 1.08 C ATOM 1090 CD1 PHE A 67 -25.245 -1.459 -0.074 1.00 1.15 C ATOM 1091 CD2 PHE A 67 -24.522 0.696 0.647 1.00 1.22 C ATOM 1092 CE1 PHE A 67 -25.876 -1.657 1.138 1.00 1.27 C ATOM 1093 CE2 PHE A 67 -25.151 0.502 1.862 1.00 1.36 C ATOM 1094 CZ PHE A 67 -25.829 -0.675 2.107 1.00 1.35 C ATOM 0 H PHE A 67 -23.804 0.545 -4.573 1.00 1.05 H new ATOM 0 HA PHE A 67 -25.843 0.166 -2.541 1.00 1.05 H new ATOM 0 HB2 PHE A 67 -23.472 -1.021 -2.003 1.00 1.01 H new ATOM 0 HB3 PHE A 67 -23.043 0.610 -1.524 1.00 1.01 H new ATOM 0 HD1 PHE A 67 -25.284 -2.231 -0.829 1.00 1.15 H new ATOM 0 HD2 PHE A 67 -23.994 1.619 0.460 1.00 1.22 H new ATOM 0 HE1 PHE A 67 -26.406 -2.579 1.328 1.00 1.27 H new ATOM 0 HE2 PHE A 67 -25.112 1.271 2.619 1.00 1.36 H new ATOM 0 HZ PHE A 67 -26.322 -0.827 3.056 1.00 1.35 H new ATOM 1104 N ASN A 68 -23.785 2.648 -3.229 1.00 0.99 N ATOM 1105 CA ASN A 68 -23.688 4.108 -3.190 1.00 0.99 C ATOM 1106 C ASN A 68 -23.608 4.569 -1.733 1.00 0.96 C ATOM 1107 O ASN A 68 -24.390 5.408 -1.278 1.00 1.05 O ATOM 1108 CB ASN A 68 -24.893 4.751 -3.891 1.00 1.08 C ATOM 1109 CG ASN A 68 -24.697 6.236 -4.155 1.00 1.14 C ATOM 1110 OD1 ASN A 68 -24.188 6.628 -5.204 1.00 1.22 O ATOM 1111 ND2 ASN A 68 -25.099 7.071 -3.209 1.00 1.19 N ATOM 0 H ASN A 68 -23.017 2.182 -3.712 1.00 0.99 H new ATOM 0 HA ASN A 68 -22.787 4.421 -3.719 1.00 0.99 H new ATOM 0 HB2 ASN A 68 -25.073 4.239 -4.836 1.00 1.08 H new ATOM 0 HB3 ASN A 68 -25.783 4.610 -3.277 1.00 1.08 H new ATOM 0 HD21 ASN A 68 -24.991 8.077 -3.337 1.00 1.19 H new ATOM 0 HD22 ASN A 68 -25.517 6.708 -2.352 1.00 1.19 H new ATOM 1118 N GLU A 69 -22.657 3.992 -1.003 1.00 0.89 N ATOM 1119 CA GLU A 69 -22.467 4.309 0.410 1.00 0.87 C ATOM 1120 C GLU A 69 -21.711 5.623 0.580 1.00 0.84 C ATOM 1121 O GLU A 69 -20.840 5.956 -0.228 1.00 0.92 O ATOM 1122 CB GLU A 69 -21.705 3.182 1.114 1.00 0.90 C ATOM 1123 CG GLU A 69 -21.712 3.291 2.633 1.00 1.56 C ATOM 1124 CD GLU A 69 -22.938 2.657 3.262 1.00 1.59 C ATOM 1125 OE1 GLU A 69 -24.018 3.287 3.238 1.00 1.89 O ATOM 1126 OE2 GLU A 69 -22.825 1.526 3.786 1.00 1.85 O ATOM 0 H GLU A 69 -22.003 3.300 -1.369 1.00 0.89 H new ATOM 0 HA GLU A 69 -23.453 4.413 0.863 1.00 0.87 H new ATOM 0 HB2 GLU A 69 -22.141 2.226 0.826 1.00 0.90 H new ATOM 0 HB3 GLU A 69 -20.673 3.180 0.764 1.00 0.90 H new ATOM 0 HG2 GLU A 69 -20.817 2.813 3.031 1.00 1.56 H new ATOM 0 HG3 GLU A 69 -21.666 4.342 2.918 1.00 1.56 H new ATOM 1133 N GLN A 70 -22.050 6.355 1.635 1.00 0.84 N ATOM 1134 CA GLN A 70 -21.414 7.632 1.935 1.00 0.83 C ATOM 1135 C GLN A 70 -20.435 7.470 3.093 1.00 0.77 C ATOM 1136 O GLN A 70 -20.848 7.274 4.238 1.00 0.85 O ATOM 1137 CB GLN A 70 -22.484 8.676 2.289 1.00 0.93 C ATOM 1138 CG GLN A 70 -21.939 10.057 2.647 1.00 0.97 C ATOM 1139 CD GLN A 70 -21.701 10.233 4.140 1.00 1.19 C ATOM 1140 OE1 GLN A 70 -22.639 10.440 4.909 1.00 1.55 O ATOM 1141 NE2 GLN A 70 -20.444 10.193 4.555 1.00 1.52 N ATOM 0 H GLN A 70 -22.770 6.082 2.304 1.00 0.84 H new ATOM 0 HA GLN A 70 -20.864 7.971 1.057 1.00 0.83 H new ATOM 0 HB2 GLN A 70 -23.165 8.778 1.444 1.00 0.93 H new ATOM 0 HB3 GLN A 70 -23.071 8.304 3.129 1.00 0.93 H new ATOM 0 HG2 GLN A 70 -21.003 10.222 2.113 1.00 0.97 H new ATOM 0 HG3 GLN A 70 -22.640 10.818 2.304 1.00 0.97 H new ATOM 0 HE21 GLN A 70 -19.692 10.019 3.888 1.00 1.52 H new ATOM 0 HE22 GLN A 70 -20.228 10.336 5.541 1.00 1.52 H new ATOM 1150 N PHE A 71 -19.142 7.527 2.797 1.00 0.66 N ATOM 1151 CA PHE A 71 -18.125 7.404 3.832 1.00 0.61 C ATOM 1152 C PHE A 71 -17.633 8.782 4.265 1.00 0.61 C ATOM 1153 O PHE A 71 -17.149 9.571 3.445 1.00 0.63 O ATOM 1154 CB PHE A 71 -16.952 6.544 3.357 1.00 0.60 C ATOM 1155 CG PHE A 71 -15.721 6.672 4.221 1.00 0.58 C ATOM 1156 CD1 PHE A 71 -15.825 6.701 5.607 1.00 0.60 C ATOM 1157 CD2 PHE A 71 -14.463 6.767 3.648 1.00 0.58 C ATOM 1158 CE1 PHE A 71 -14.699 6.824 6.398 1.00 0.61 C ATOM 1159 CE2 PHE A 71 -13.334 6.890 4.436 1.00 0.59 C ATOM 1160 CZ PHE A 71 -13.453 6.918 5.811 1.00 0.60 C ATOM 0 H PHE A 71 -18.775 7.657 1.854 1.00 0.66 H new ATOM 0 HA PHE A 71 -18.580 6.909 4.690 1.00 0.61 H new ATOM 0 HB2 PHE A 71 -17.263 5.500 3.335 1.00 0.60 H new ATOM 0 HB3 PHE A 71 -16.699 6.823 2.334 1.00 0.60 H new ATOM 0 HD1 PHE A 71 -16.797 6.626 6.071 1.00 0.60 H new ATOM 0 HD2 PHE A 71 -14.363 6.745 2.573 1.00 0.58 H new ATOM 0 HE1 PHE A 71 -14.793 6.847 7.474 1.00 0.61 H new ATOM 0 HE2 PHE A 71 -12.360 6.964 3.976 1.00 0.59 H new ATOM 0 HZ PHE A 71 -12.571 7.013 6.428 1.00 0.60 H new ATOM 1170 N THR A 72 -17.788 9.063 5.550 1.00 0.62 N ATOM 1171 CA THR A 72 -17.369 10.327 6.128 1.00 0.64 C ATOM 1172 C THR A 72 -15.869 10.291 6.431 1.00 0.58 C ATOM 1173 O THR A 72 -15.440 9.810 7.485 1.00 0.58 O ATOM 1174 CB THR A 72 -18.177 10.614 7.409 1.00 0.72 C ATOM 1175 OG1 THR A 72 -19.576 10.403 7.149 1.00 0.83 O ATOM 1176 CG2 THR A 72 -17.960 12.036 7.902 1.00 0.78 C ATOM 0 H THR A 72 -18.208 8.419 6.220 1.00 0.62 H new ATOM 0 HA THR A 72 -17.558 11.129 5.414 1.00 0.64 H new ATOM 0 HB THR A 72 -17.831 9.933 8.187 1.00 0.72 H new ATOM 0 HG1 THR A 72 -20.091 10.584 7.963 1.00 0.83 H new ATOM 0 HG21 THR A 72 -18.546 12.201 8.806 1.00 0.78 H new ATOM 0 HG22 THR A 72 -16.903 12.188 8.121 1.00 0.78 H new ATOM 0 HG23 THR A 72 -18.275 12.740 7.132 1.00 0.78 H new ATOM 1184 N PHE A 73 -15.078 10.781 5.486 1.00 0.56 N ATOM 1185 CA PHE A 73 -13.628 10.795 5.619 1.00 0.51 C ATOM 1186 C PHE A 73 -13.194 11.899 6.578 1.00 0.53 C ATOM 1187 O PHE A 73 -12.669 12.931 6.156 1.00 0.56 O ATOM 1188 CB PHE A 73 -12.990 10.999 4.244 1.00 0.51 C ATOM 1189 CG PHE A 73 -11.576 10.511 4.136 1.00 0.48 C ATOM 1190 CD1 PHE A 73 -10.518 11.303 4.549 1.00 0.65 C ATOM 1191 CD2 PHE A 73 -11.309 9.264 3.610 1.00 0.62 C ATOM 1192 CE1 PHE A 73 -9.214 10.853 4.436 1.00 0.70 C ATOM 1193 CE2 PHE A 73 -10.015 8.809 3.498 1.00 0.68 C ATOM 1194 CZ PHE A 73 -8.964 9.605 3.911 1.00 0.62 C ATOM 0 H PHE A 73 -15.421 11.178 4.611 1.00 0.56 H new ATOM 0 HA PHE A 73 -13.297 9.840 6.027 1.00 0.51 H new ATOM 0 HB2 PHE A 73 -13.596 10.487 3.497 1.00 0.51 H new ATOM 0 HB3 PHE A 73 -13.014 12.061 4.000 1.00 0.51 H new ATOM 0 HD1 PHE A 73 -10.712 12.281 4.963 1.00 0.65 H new ATOM 0 HD2 PHE A 73 -12.125 8.637 3.282 1.00 0.62 H new ATOM 0 HE1 PHE A 73 -8.395 11.479 4.759 1.00 0.70 H new ATOM 0 HE2 PHE A 73 -9.821 7.829 3.087 1.00 0.68 H new ATOM 0 HZ PHE A 73 -7.948 9.249 3.822 1.00 0.62 H new ATOM 1204 N LYS A 74 -13.431 11.669 7.865 1.00 0.55 N ATOM 1205 CA LYS A 74 -13.089 12.628 8.914 1.00 0.59 C ATOM 1206 C LYS A 74 -11.608 13.014 8.879 1.00 0.56 C ATOM 1207 O LYS A 74 -10.759 12.323 9.449 1.00 0.58 O ATOM 1208 CB LYS A 74 -13.442 12.053 10.292 1.00 0.63 C ATOM 1209 CG LYS A 74 -14.916 11.711 10.463 1.00 0.72 C ATOM 1210 CD LYS A 74 -15.802 12.939 10.319 1.00 0.85 C ATOM 1211 CE LYS A 74 -15.488 13.986 11.376 1.00 0.97 C ATOM 1212 NZ LYS A 74 -15.814 13.513 12.750 1.00 1.11 N ATOM 0 H LYS A 74 -13.865 10.814 8.212 1.00 0.55 H new ATOM 0 HA LYS A 74 -13.672 13.530 8.731 1.00 0.59 H new ATOM 0 HB2 LYS A 74 -12.849 11.154 10.462 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -13.156 12.773 11.059 1.00 0.63 H new ATOM 0 HG2 LYS A 74 -15.204 10.966 9.722 1.00 0.72 H new ATOM 0 HG3 LYS A 74 -15.073 11.262 11.444 1.00 0.72 H new ATOM 0 HD2 LYS A 74 -15.667 13.371 9.327 1.00 0.85 H new ATOM 0 HD3 LYS A 74 -16.848 12.644 10.398 1.00 0.85 H new ATOM 0 HE2 LYS A 74 -14.431 14.246 11.324 1.00 0.97 H new ATOM 0 HE3 LYS A 74 -16.051 14.895 11.163 1.00 0.97 H new ATOM 0 HZ1 LYS A 74 -15.730 14.305 13.419 1.00 1.11 H new ATOM 0 HZ2 LYS A 74 -16.787 13.146 12.769 1.00 1.11 H new ATOM 0 HZ3 LYS A 74 -15.154 12.757 13.023 1.00 1.11 H new ATOM 1226 N VAL A 75 -11.298 14.106 8.192 1.00 0.57 N ATOM 1227 CA VAL A 75 -9.930 14.591 8.100 1.00 0.57 C ATOM 1228 C VAL A 75 -9.893 15.973 7.446 1.00 0.60 C ATOM 1229 O VAL A 75 -10.456 16.170 6.368 1.00 0.61 O ATOM 1230 CB VAL A 75 -9.024 13.609 7.316 1.00 0.53 C ATOM 1231 CG1 VAL A 75 -9.001 13.926 5.827 1.00 0.72 C ATOM 1232 CG2 VAL A 75 -7.619 13.614 7.894 1.00 0.74 C ATOM 0 H VAL A 75 -11.980 14.674 7.689 1.00 0.57 H new ATOM 0 HA VAL A 75 -9.543 14.665 9.116 1.00 0.57 H new ATOM 0 HB VAL A 75 -9.444 12.609 7.424 1.00 0.53 H new ATOM 0 HG11 VAL A 75 -8.354 13.214 5.313 1.00 0.72 H new ATOM 0 HG12 VAL A 75 -10.011 13.855 5.424 1.00 0.72 H new ATOM 0 HG13 VAL A 75 -8.621 14.936 5.676 1.00 0.72 H new ATOM 0 HG21 VAL A 75 -6.993 12.920 7.334 1.00 0.74 H new ATOM 0 HG22 VAL A 75 -7.200 14.618 7.824 1.00 0.74 H new ATOM 0 HG23 VAL A 75 -7.655 13.308 8.940 1.00 0.74 H new ATOM 1242 N PRO A 76 -9.253 16.952 8.100 1.00 0.65 N ATOM 1243 CA PRO A 76 -9.154 18.305 7.563 1.00 0.71 C ATOM 1244 C PRO A 76 -8.502 18.315 6.181 1.00 0.66 C ATOM 1245 O PRO A 76 -7.515 17.606 5.949 1.00 0.62 O ATOM 1246 CB PRO A 76 -8.272 19.039 8.579 1.00 0.77 C ATOM 1247 CG PRO A 76 -8.398 18.251 9.835 1.00 0.79 C ATOM 1248 CD PRO A 76 -8.589 16.823 9.407 1.00 0.69 C ATOM 0 HA PRO A 76 -10.132 18.768 7.430 1.00 0.71 H new ATOM 0 HB2 PRO A 76 -7.236 19.084 8.243 1.00 0.77 H new ATOM 0 HB3 PRO A 76 -8.606 20.067 8.722 1.00 0.77 H new ATOM 0 HG2 PRO A 76 -7.507 18.358 10.454 1.00 0.79 H new ATOM 0 HG3 PRO A 76 -9.243 18.597 10.430 1.00 0.79 H new ATOM 0 HD2 PRO A 76 -7.638 16.296 9.326 1.00 0.69 H new ATOM 0 HD3 PRO A 76 -9.202 16.268 10.117 1.00 0.69 H new ATOM 1256 N TYR A 77 -9.049 19.127 5.274 1.00 0.71 N ATOM 1257 CA TYR A 77 -8.524 19.226 3.909 1.00 0.71 C ATOM 1258 C TYR A 77 -7.002 19.377 3.921 1.00 0.69 C ATOM 1259 O TYR A 77 -6.308 18.828 3.068 1.00 0.69 O ATOM 1260 CB TYR A 77 -9.171 20.399 3.153 1.00 0.81 C ATOM 1261 CG TYR A 77 -8.845 21.763 3.729 1.00 0.88 C ATOM 1262 CD1 TYR A 77 -7.672 22.422 3.382 1.00 0.96 C ATOM 1263 CD2 TYR A 77 -9.706 22.387 4.623 1.00 0.96 C ATOM 1264 CE1 TYR A 77 -7.366 23.661 3.909 1.00 1.08 C ATOM 1265 CE2 TYR A 77 -9.405 23.626 5.155 1.00 1.08 C ATOM 1266 CZ TYR A 77 -8.235 24.259 4.796 1.00 1.12 C ATOM 1267 OH TYR A 77 -7.930 25.494 5.328 1.00 1.28 O ATOM 0 H TYR A 77 -9.854 19.725 5.459 1.00 0.71 H new ATOM 0 HA TYR A 77 -8.776 18.302 3.388 1.00 0.71 H new ATOM 0 HB2 TYR A 77 -8.847 20.369 2.113 1.00 0.81 H new ATOM 0 HB3 TYR A 77 -10.253 20.265 3.154 1.00 0.81 H new ATOM 0 HD1 TYR A 77 -6.988 21.957 2.688 1.00 0.96 H new ATOM 0 HD2 TYR A 77 -10.625 21.896 4.907 1.00 0.96 H new ATOM 0 HE1 TYR A 77 -6.450 24.159 3.627 1.00 1.08 H new ATOM 0 HE2 TYR A 77 -10.085 24.097 5.850 1.00 1.08 H new ATOM 0 HH TYR A 77 -8.647 25.775 5.934 1.00 1.28 H new ATOM 1277 N SER A 78 -6.494 20.118 4.897 1.00 0.72 N ATOM 1278 CA SER A 78 -5.064 20.335 5.033 1.00 0.74 C ATOM 1279 C SER A 78 -4.368 19.038 5.447 1.00 0.70 C ATOM 1280 O SER A 78 -3.398 18.605 4.817 1.00 0.78 O ATOM 1281 CB SER A 78 -4.820 21.431 6.071 1.00 0.83 C ATOM 1282 OG SER A 78 -5.913 21.514 6.978 1.00 1.04 O ATOM 0 H SER A 78 -7.058 20.581 5.610 1.00 0.72 H new ATOM 0 HA SER A 78 -4.650 20.649 4.075 1.00 0.74 H new ATOM 0 HB2 SER A 78 -3.901 21.223 6.619 1.00 0.83 H new ATOM 0 HB3 SER A 78 -4.682 22.389 5.570 1.00 0.83 H new ATOM 0 HG SER A 78 -5.739 22.219 7.636 1.00 1.04 H new ATOM 1288 N GLU A 79 -4.890 18.414 6.501 1.00 0.66 N ATOM 1289 CA GLU A 79 -4.343 17.164 7.019 1.00 0.65 C ATOM 1290 C GLU A 79 -4.411 16.060 5.964 1.00 0.59 C ATOM 1291 O GLU A 79 -3.509 15.224 5.868 1.00 0.61 O ATOM 1292 CB GLU A 79 -5.118 16.724 8.264 1.00 0.72 C ATOM 1293 CG GLU A 79 -4.281 16.689 9.533 1.00 0.86 C ATOM 1294 CD GLU A 79 -5.019 16.042 10.686 1.00 0.83 C ATOM 1295 OE1 GLU A 79 -5.835 16.721 11.336 1.00 1.08 O ATOM 1296 OE2 GLU A 79 -4.798 14.838 10.948 1.00 0.85 O ATOM 0 H GLU A 79 -5.699 18.759 7.017 1.00 0.66 H new ATOM 0 HA GLU A 79 -3.299 17.337 7.281 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -5.959 17.401 8.414 1.00 0.72 H new ATOM 0 HB3 GLU A 79 -5.535 15.732 8.088 1.00 0.72 H new ATOM 0 HG2 GLU A 79 -3.357 16.142 9.342 1.00 0.86 H new ATOM 0 HG3 GLU A 79 -3.999 17.705 9.809 1.00 0.86 H new ATOM 1303 N LEU A 80 -5.491 16.066 5.186 1.00 0.60 N ATOM 1304 CA LEU A 80 -5.712 15.077 4.131 1.00 0.62 C ATOM 1305 C LEU A 80 -4.441 14.806 3.322 1.00 0.57 C ATOM 1306 O LEU A 80 -4.164 13.659 2.964 1.00 0.59 O ATOM 1307 CB LEU A 80 -6.852 15.546 3.209 1.00 0.70 C ATOM 1308 CG LEU A 80 -6.593 15.435 1.700 1.00 0.73 C ATOM 1309 CD1 LEU A 80 -7.892 15.176 0.961 1.00 0.84 C ATOM 1310 CD2 LEU A 80 -5.936 16.699 1.168 1.00 0.90 C ATOM 0 H LEU A 80 -6.238 16.756 5.268 1.00 0.60 H new ATOM 0 HA LEU A 80 -5.994 14.137 4.606 1.00 0.62 H new ATOM 0 HB2 LEU A 80 -7.745 14.968 3.447 1.00 0.70 H new ATOM 0 HB3 LEU A 80 -7.075 16.587 3.443 1.00 0.70 H new ATOM 0 HG LEU A 80 -5.915 14.598 1.533 1.00 0.73 H new ATOM 0 HD11 LEU A 80 -7.693 15.100 -0.108 1.00 0.84 H new ATOM 0 HD12 LEU A 80 -8.333 14.244 1.316 1.00 0.84 H new ATOM 0 HD13 LEU A 80 -8.585 15.998 1.144 1.00 0.84 H new ATOM 0 HD21 LEU A 80 -5.763 16.596 0.097 1.00 0.90 H new ATOM 0 HD22 LEU A 80 -6.589 17.553 1.349 1.00 0.90 H new ATOM 0 HD23 LEU A 80 -4.984 16.856 1.676 1.00 0.90 H new ATOM 1322 N GLY A 81 -3.671 15.859 3.058 1.00 0.58 N ATOM 1323 CA GLY A 81 -2.451 15.731 2.282 1.00 0.61 C ATOM 1324 C GLY A 81 -1.649 14.487 2.618 1.00 0.59 C ATOM 1325 O GLY A 81 -1.340 13.683 1.735 1.00 0.84 O ATOM 0 H GLY A 81 -3.874 16.808 3.372 1.00 0.58 H new ATOM 0 HA2 GLY A 81 -2.704 15.716 1.222 1.00 0.61 H new ATOM 0 HA3 GLY A 81 -1.829 16.611 2.449 1.00 0.61 H new ATOM 1329 N GLY A 82 -1.336 14.308 3.897 1.00 0.51 N ATOM 1330 CA GLY A 82 -0.554 13.158 4.312 1.00 0.54 C ATOM 1331 C GLY A 82 -1.401 11.999 4.806 1.00 0.52 C ATOM 1332 O GLY A 82 -0.930 11.185 5.604 1.00 0.78 O ATOM 0 H GLY A 82 -1.609 14.937 4.652 1.00 0.51 H new ATOM 0 HA2 GLY A 82 0.056 12.821 3.474 1.00 0.54 H new ATOM 0 HA3 GLY A 82 0.131 13.461 5.104 1.00 0.54 H new ATOM 1336 N LYS A 83 -2.639 11.900 4.331 1.00 0.43 N ATOM 1337 CA LYS A 83 -3.529 10.827 4.755 1.00 0.46 C ATOM 1338 C LYS A 83 -3.884 9.902 3.591 1.00 0.50 C ATOM 1339 O LYS A 83 -4.766 10.203 2.789 1.00 0.87 O ATOM 1340 CB LYS A 83 -4.801 11.402 5.387 1.00 0.55 C ATOM 1341 CG LYS A 83 -4.684 11.653 6.885 1.00 0.69 C ATOM 1342 CD LYS A 83 -3.448 12.472 7.228 1.00 0.89 C ATOM 1343 CE LYS A 83 -3.716 13.458 8.356 1.00 0.78 C ATOM 1344 NZ LYS A 83 -3.906 12.786 9.670 1.00 0.88 N ATOM 0 H LYS A 83 -3.046 12.547 3.656 1.00 0.43 H new ATOM 0 HA LYS A 83 -3.001 10.235 5.503 1.00 0.46 H new ATOM 0 HB2 LYS A 83 -5.051 12.339 4.890 1.00 0.55 H new ATOM 0 HB3 LYS A 83 -5.628 10.715 5.207 1.00 0.55 H new ATOM 0 HG2 LYS A 83 -5.574 12.175 7.236 1.00 0.69 H new ATOM 0 HG3 LYS A 83 -4.645 10.699 7.411 1.00 0.69 H new ATOM 0 HD2 LYS A 83 -2.637 11.803 7.516 1.00 0.89 H new ATOM 0 HD3 LYS A 83 -3.115 13.014 6.343 1.00 0.89 H new ATOM 0 HE2 LYS A 83 -2.884 14.158 8.427 1.00 0.78 H new ATOM 0 HE3 LYS A 83 -4.605 14.043 8.119 1.00 0.78 H new ATOM 0 HZ1 LYS A 83 -4.234 13.481 10.371 1.00 0.88 H new ATOM 0 HZ2 LYS A 83 -4.614 12.030 9.574 1.00 0.88 H new ATOM 0 HZ3 LYS A 83 -3.003 12.377 9.985 1.00 0.88 H new ATOM 1358 N THR A 84 -3.168 8.787 3.500 1.00 0.38 N ATOM 1359 CA THR A 84 -3.405 7.797 2.464 1.00 0.37 C ATOM 1360 C THR A 84 -4.539 6.860 2.886 1.00 0.40 C ATOM 1361 O THR A 84 -4.430 6.155 3.897 1.00 0.49 O ATOM 1362 CB THR A 84 -2.131 6.974 2.188 1.00 0.43 C ATOM 1363 OG1 THR A 84 -0.969 7.786 2.425 1.00 0.55 O ATOM 1364 CG2 THR A 84 -2.116 6.459 0.753 1.00 0.65 C ATOM 0 H THR A 84 -2.411 8.547 4.140 1.00 0.38 H new ATOM 0 HA THR A 84 -3.685 8.321 1.550 1.00 0.37 H new ATOM 0 HB THR A 84 -2.122 6.117 2.861 1.00 0.43 H new ATOM 0 HG1 THR A 84 -0.266 7.239 2.834 1.00 0.55 H new ATOM 0 HG21 THR A 84 -1.207 5.882 0.583 1.00 0.65 H new ATOM 0 HG22 THR A 84 -2.986 5.824 0.585 1.00 0.65 H new ATOM 0 HG23 THR A 84 -2.144 7.303 0.063 1.00 0.65 H new ATOM 1372 N LEU A 85 -5.632 6.874 2.128 1.00 0.43 N ATOM 1373 CA LEU A 85 -6.787 6.036 2.430 1.00 0.53 C ATOM 1374 C LEU A 85 -6.707 4.709 1.694 1.00 0.43 C ATOM 1375 O LEU A 85 -6.158 4.626 0.590 1.00 0.42 O ATOM 1376 CB LEU A 85 -8.095 6.754 2.072 1.00 0.75 C ATOM 1377 CG LEU A 85 -8.498 6.730 0.591 1.00 0.63 C ATOM 1378 CD1 LEU A 85 -9.973 7.063 0.432 1.00 0.89 C ATOM 1379 CD2 LEU A 85 -7.645 7.695 -0.216 1.00 1.40 C ATOM 0 H LEU A 85 -5.741 7.458 1.299 1.00 0.43 H new ATOM 0 HA LEU A 85 -6.778 5.840 3.502 1.00 0.53 H new ATOM 0 HB2 LEU A 85 -8.901 6.307 2.654 1.00 0.75 H new ATOM 0 HB3 LEU A 85 -8.012 7.794 2.388 1.00 0.75 H new ATOM 0 HG LEU A 85 -8.329 5.723 0.210 1.00 0.63 H new ATOM 0 HD11 LEU A 85 -10.239 7.041 -0.625 1.00 0.89 H new ATOM 0 HD12 LEU A 85 -10.572 6.330 0.972 1.00 0.89 H new ATOM 0 HD13 LEU A 85 -10.167 8.057 0.834 1.00 0.89 H new ATOM 0 HD21 LEU A 85 -7.948 7.661 -1.262 1.00 1.40 H new ATOM 0 HD22 LEU A 85 -7.778 8.707 0.168 1.00 1.40 H new ATOM 0 HD23 LEU A 85 -6.596 7.410 -0.133 1.00 1.40 H new ATOM 1391 N VAL A 86 -7.253 3.670 2.310 1.00 0.42 N ATOM 1392 CA VAL A 86 -7.259 2.349 1.714 1.00 0.43 C ATOM 1393 C VAL A 86 -8.654 1.731 1.802 1.00 0.47 C ATOM 1394 O VAL A 86 -9.219 1.589 2.889 1.00 0.69 O ATOM 1395 CB VAL A 86 -6.211 1.416 2.372 1.00 0.52 C ATOM 1396 CG1 VAL A 86 -4.836 2.068 2.366 1.00 0.51 C ATOM 1397 CG2 VAL A 86 -6.608 1.044 3.793 1.00 0.69 C ATOM 0 H VAL A 86 -7.698 3.721 3.226 1.00 0.42 H new ATOM 0 HA VAL A 86 -6.986 2.460 0.665 1.00 0.43 H new ATOM 0 HB VAL A 86 -6.172 0.500 1.783 1.00 0.52 H new ATOM 0 HG11 VAL A 86 -4.114 1.398 2.832 1.00 0.51 H new ATOM 0 HG12 VAL A 86 -4.533 2.270 1.338 1.00 0.51 H new ATOM 0 HG13 VAL A 86 -4.875 3.004 2.923 1.00 0.51 H new ATOM 0 HG21 VAL A 86 -5.850 0.389 4.223 1.00 0.69 H new ATOM 0 HG22 VAL A 86 -6.691 1.948 4.396 1.00 0.69 H new ATOM 0 HG23 VAL A 86 -7.568 0.528 3.779 1.00 0.69 H new ATOM 1407 N MET A 87 -9.217 1.398 0.651 1.00 0.47 N ATOM 1408 CA MET A 87 -10.542 0.798 0.586 1.00 0.52 C ATOM 1409 C MET A 87 -10.412 -0.711 0.455 1.00 0.52 C ATOM 1410 O MET A 87 -9.956 -1.209 -0.580 1.00 0.60 O ATOM 1411 CB MET A 87 -11.326 1.362 -0.602 1.00 0.63 C ATOM 1412 CG MET A 87 -12.730 0.786 -0.742 1.00 0.72 C ATOM 1413 SD MET A 87 -13.883 1.428 0.492 1.00 0.84 S ATOM 1414 CE MET A 87 -13.987 3.145 -0.008 1.00 1.05 C ATOM 0 H MET A 87 -8.774 1.534 -0.257 1.00 0.47 H new ATOM 0 HA MET A 87 -11.084 1.036 1.502 1.00 0.52 H new ATOM 0 HB2 MET A 87 -11.396 2.445 -0.498 1.00 0.63 H new ATOM 0 HB3 MET A 87 -10.770 1.166 -1.519 1.00 0.63 H new ATOM 0 HG2 MET A 87 -13.111 1.010 -1.738 1.00 0.72 H new ATOM 0 HG3 MET A 87 -12.682 -0.300 -0.656 1.00 0.72 H new ATOM 0 HE1 MET A 87 -14.885 3.594 0.416 1.00 1.05 H new ATOM 0 HE2 MET A 87 -13.109 3.682 0.350 1.00 1.05 H new ATOM 0 HE3 MET A 87 -14.030 3.205 -1.095 1.00 1.05 H new ATOM 1424 N ALA A 88 -10.795 -1.432 1.501 1.00 0.51 N ATOM 1425 CA ALA A 88 -10.705 -2.881 1.500 1.00 0.57 C ATOM 1426 C ALA A 88 -12.081 -3.520 1.506 1.00 0.61 C ATOM 1427 O ALA A 88 -12.945 -3.146 2.301 1.00 0.63 O ATOM 1428 CB ALA A 88 -9.903 -3.357 2.701 1.00 0.60 C ATOM 0 H ALA A 88 -11.171 -1.033 2.361 1.00 0.51 H new ATOM 0 HA ALA A 88 -10.196 -3.185 0.585 1.00 0.57 H new ATOM 0 HB1 ALA A 88 -9.842 -4.445 2.690 1.00 0.60 H new ATOM 0 HB2 ALA A 88 -8.898 -2.937 2.657 1.00 0.60 H new ATOM 0 HB3 ALA A 88 -10.393 -3.030 3.618 1.00 0.60 H new ATOM 1434 N VAL A 89 -12.285 -4.477 0.616 1.00 0.64 N ATOM 1435 CA VAL A 89 -13.552 -5.181 0.539 1.00 0.68 C ATOM 1436 C VAL A 89 -13.427 -6.519 1.265 1.00 0.72 C ATOM 1437 O VAL A 89 -12.689 -7.410 0.836 1.00 0.76 O ATOM 1438 CB VAL A 89 -14.024 -5.387 -0.923 1.00 0.72 C ATOM 1439 CG1 VAL A 89 -12.940 -6.027 -1.773 1.00 0.74 C ATOM 1440 CG2 VAL A 89 -15.307 -6.206 -0.966 1.00 0.77 C ATOM 0 H VAL A 89 -11.588 -4.784 -0.063 1.00 0.64 H new ATOM 0 HA VAL A 89 -14.312 -4.569 1.024 1.00 0.68 H new ATOM 0 HB VAL A 89 -14.233 -4.404 -1.346 1.00 0.72 H new ATOM 0 HG11 VAL A 89 -13.305 -6.157 -2.792 1.00 0.74 H new ATOM 0 HG12 VAL A 89 -12.059 -5.385 -1.782 1.00 0.74 H new ATOM 0 HG13 VAL A 89 -12.677 -6.999 -1.356 1.00 0.74 H new ATOM 0 HG21 VAL A 89 -15.620 -6.338 -2.002 1.00 0.77 H new ATOM 0 HG22 VAL A 89 -15.131 -7.182 -0.513 1.00 0.77 H new ATOM 0 HG23 VAL A 89 -16.090 -5.685 -0.414 1.00 0.77 H new ATOM 1450 N TYR A 90 -14.137 -6.640 2.377 1.00 0.73 N ATOM 1451 CA TYR A 90 -14.093 -7.843 3.193 1.00 0.78 C ATOM 1452 C TYR A 90 -15.311 -8.711 2.935 1.00 0.83 C ATOM 1453 O TYR A 90 -16.427 -8.202 2.792 1.00 0.83 O ATOM 1454 CB TYR A 90 -14.026 -7.464 4.674 1.00 0.78 C ATOM 1455 CG TYR A 90 -13.514 -8.568 5.576 1.00 0.82 C ATOM 1456 CD1 TYR A 90 -12.328 -9.232 5.291 1.00 0.98 C ATOM 1457 CD2 TYR A 90 -14.210 -8.934 6.719 1.00 0.87 C ATOM 1458 CE1 TYR A 90 -11.851 -10.232 6.118 1.00 1.08 C ATOM 1459 CE2 TYR A 90 -13.739 -9.929 7.553 1.00 0.94 C ATOM 1460 CZ TYR A 90 -12.560 -10.575 7.251 1.00 1.00 C ATOM 1461 OH TYR A 90 -12.089 -11.567 8.087 1.00 1.12 O ATOM 0 H TYR A 90 -14.755 -5.913 2.737 1.00 0.73 H new ATOM 0 HA TYR A 90 -13.202 -8.411 2.926 1.00 0.78 H new ATOM 0 HB2 TYR A 90 -13.382 -6.592 4.785 1.00 0.78 H new ATOM 0 HB3 TYR A 90 -15.021 -7.170 5.007 1.00 0.78 H new ATOM 0 HD1 TYR A 90 -11.768 -8.962 4.408 1.00 0.98 H new ATOM 0 HD2 TYR A 90 -15.135 -8.433 6.961 1.00 0.87 H new ATOM 0 HE1 TYR A 90 -10.929 -10.741 5.879 1.00 1.08 H new ATOM 0 HE2 TYR A 90 -14.293 -10.200 8.439 1.00 0.94 H new ATOM 0 HH TYR A 90 -11.705 -12.292 7.551 1.00 1.12 H new ATOM 1471 N ASP A 91 -15.092 -10.013 2.851 1.00 0.88 N ATOM 1472 CA ASP A 91 -16.181 -10.952 2.625 1.00 0.93 C ATOM 1473 C ASP A 91 -16.857 -11.314 3.945 1.00 0.95 C ATOM 1474 O ASP A 91 -16.282 -11.129 5.023 1.00 0.96 O ATOM 1475 CB ASP A 91 -15.675 -12.226 1.940 1.00 0.98 C ATOM 1476 CG ASP A 91 -16.652 -13.380 2.087 1.00 1.03 C ATOM 1477 OD1 ASP A 91 -17.640 -13.432 1.321 1.00 1.04 O ATOM 1478 OD2 ASP A 91 -16.454 -14.215 2.996 1.00 1.07 O ATOM 0 H ASP A 91 -14.172 -10.444 2.936 1.00 0.88 H new ATOM 0 HA ASP A 91 -16.907 -10.469 1.971 1.00 0.93 H new ATOM 0 HB2 ASP A 91 -15.507 -12.026 0.882 1.00 0.98 H new ATOM 0 HB3 ASP A 91 -14.713 -12.509 2.367 1.00 0.98 H new ATOM 1483 N PHE A 92 -18.074 -11.817 3.852 1.00 0.99 N ATOM 1484 CA PHE A 92 -18.827 -12.226 5.021 1.00 1.03 C ATOM 1485 C PHE A 92 -19.609 -13.500 4.709 1.00 1.07 C ATOM 1486 O PHE A 92 -20.804 -13.585 4.977 1.00 1.11 O ATOM 1487 CB PHE A 92 -19.768 -11.102 5.464 1.00 1.04 C ATOM 1488 CG PHE A 92 -20.036 -11.093 6.942 1.00 1.09 C ATOM 1489 CD1 PHE A 92 -19.108 -10.563 7.825 1.00 1.22 C ATOM 1490 CD2 PHE A 92 -21.216 -11.613 7.448 1.00 1.15 C ATOM 1491 CE1 PHE A 92 -19.352 -10.553 9.185 1.00 1.35 C ATOM 1492 CE2 PHE A 92 -21.465 -11.605 8.805 1.00 1.23 C ATOM 1493 CZ PHE A 92 -20.532 -11.075 9.674 1.00 1.31 C ATOM 0 H PHE A 92 -18.565 -11.953 2.969 1.00 0.99 H new ATOM 0 HA PHE A 92 -18.138 -12.432 5.840 1.00 1.03 H new ATOM 0 HB2 PHE A 92 -19.337 -10.143 5.175 1.00 1.04 H new ATOM 0 HB3 PHE A 92 -20.714 -11.200 4.932 1.00 1.04 H new ATOM 0 HD1 PHE A 92 -18.184 -10.153 7.446 1.00 1.22 H new ATOM 0 HD2 PHE A 92 -21.949 -12.029 6.773 1.00 1.15 H new ATOM 0 HE1 PHE A 92 -18.621 -10.138 9.863 1.00 1.35 H new ATOM 0 HE2 PHE A 92 -22.389 -12.013 9.187 1.00 1.23 H new ATOM 0 HZ PHE A 92 -20.726 -11.069 10.736 1.00 1.31 H new ATOM 1503 N ASP A 93 -18.919 -14.485 4.131 1.00 1.08 N ATOM 1504 CA ASP A 93 -19.524 -15.772 3.770 1.00 1.13 C ATOM 1505 C ASP A 93 -20.513 -16.246 4.837 1.00 1.17 C ATOM 1506 O ASP A 93 -21.594 -16.747 4.514 1.00 1.22 O ATOM 1507 CB ASP A 93 -18.432 -16.834 3.554 1.00 1.16 C ATOM 1508 CG ASP A 93 -17.758 -17.287 4.843 1.00 1.22 C ATOM 1509 OD1 ASP A 93 -17.498 -16.437 5.727 1.00 1.47 O ATOM 1510 OD2 ASP A 93 -17.489 -18.501 4.982 1.00 1.58 O ATOM 0 H ASP A 93 -17.928 -14.415 3.900 1.00 1.08 H new ATOM 0 HA ASP A 93 -20.075 -15.630 2.840 1.00 1.13 H new ATOM 0 HB2 ASP A 93 -18.872 -17.700 3.060 1.00 1.16 H new ATOM 0 HB3 ASP A 93 -17.675 -16.433 2.880 1.00 1.16 H new ATOM 1515 N ARG A 94 -20.130 -16.071 6.101 1.00 1.17 N ATOM 1516 CA ARG A 94 -20.951 -16.453 7.252 1.00 1.22 C ATOM 1517 C ARG A 94 -20.818 -17.947 7.539 1.00 1.28 C ATOM 1518 O ARG A 94 -21.807 -18.618 7.856 1.00 1.36 O ATOM 1519 CB ARG A 94 -22.431 -16.090 7.043 1.00 1.25 C ATOM 1520 CG ARG A 94 -22.682 -14.607 6.828 1.00 1.20 C ATOM 1521 CD ARG A 94 -23.406 -14.345 5.511 1.00 1.24 C ATOM 1522 NE ARG A 94 -24.668 -15.082 5.424 1.00 1.33 N ATOM 1523 CZ ARG A 94 -25.623 -14.858 4.514 1.00 1.37 C ATOM 1524 NH1 ARG A 94 -25.452 -13.956 3.554 1.00 1.39 N ATOM 1525 NH2 ARG A 94 -26.753 -15.559 4.561 1.00 1.54 N ATOM 0 H ARG A 94 -19.234 -15.657 6.358 1.00 1.17 H new ATOM 0 HA ARG A 94 -20.583 -15.890 8.110 1.00 1.22 H new ATOM 0 HB2 ARG A 94 -22.811 -16.640 6.182 1.00 1.25 H new ATOM 0 HB3 ARG A 94 -23.001 -16.422 7.911 1.00 1.25 H new ATOM 0 HG2 ARG A 94 -23.275 -14.214 7.654 1.00 1.20 H new ATOM 0 HG3 ARG A 94 -21.732 -14.072 6.834 1.00 1.20 H new ATOM 0 HD2 ARG A 94 -23.602 -13.277 5.411 1.00 1.24 H new ATOM 0 HD3 ARG A 94 -22.761 -14.630 4.680 1.00 1.24 H new ATOM 0 HE ARG A 94 -24.831 -15.821 6.108 1.00 1.33 H new ATOM 0 HH11 ARG A 94 -24.584 -13.423 3.504 1.00 1.39 H new ATOM 0 HH12 ARG A 94 -26.189 -13.796 2.867 1.00 1.39 H new ATOM 0 HH21 ARG A 94 -26.887 -16.262 5.288 1.00 1.54 H new ATOM 0 HH22 ARG A 94 -27.485 -15.393 3.870 1.00 1.54 H new ATOM 1539 N PHE A 95 -19.594 -18.460 7.448 1.00 1.28 N ATOM 1540 CA PHE A 95 -19.333 -19.874 7.698 1.00 1.34 C ATOM 1541 C PHE A 95 -17.876 -20.097 8.105 1.00 1.34 C ATOM 1542 O PHE A 95 -17.594 -20.609 9.189 1.00 1.41 O ATOM 1543 CB PHE A 95 -19.662 -20.706 6.452 1.00 1.37 C ATOM 1544 CG PHE A 95 -19.359 -22.172 6.606 1.00 1.45 C ATOM 1545 CD1 PHE A 95 -18.111 -22.675 6.269 1.00 1.52 C ATOM 1546 CD2 PHE A 95 -20.321 -23.045 7.087 1.00 1.56 C ATOM 1547 CE1 PHE A 95 -17.831 -24.021 6.408 1.00 1.62 C ATOM 1548 CE2 PHE A 95 -20.045 -24.392 7.227 1.00 1.67 C ATOM 1549 CZ PHE A 95 -18.798 -24.882 6.887 1.00 1.66 C ATOM 0 H PHE A 95 -18.766 -17.917 7.203 1.00 1.28 H new ATOM 0 HA PHE A 95 -19.974 -20.195 8.519 1.00 1.34 H new ATOM 0 HB2 PHE A 95 -20.719 -20.586 6.214 1.00 1.37 H new ATOM 0 HB3 PHE A 95 -19.098 -20.315 5.605 1.00 1.37 H new ATOM 0 HD1 PHE A 95 -17.350 -22.007 5.894 1.00 1.52 H new ATOM 0 HD2 PHE A 95 -21.297 -22.669 7.355 1.00 1.56 H new ATOM 0 HE1 PHE A 95 -16.855 -24.400 6.142 1.00 1.62 H new ATOM 0 HE2 PHE A 95 -20.804 -25.062 7.602 1.00 1.67 H new ATOM 0 HZ PHE A 95 -18.581 -25.934 6.996 1.00 1.66 H new ATOM 1559 N SER A 96 -16.961 -19.700 7.230 1.00 1.30 N ATOM 1560 CA SER A 96 -15.531 -19.862 7.468 1.00 1.32 C ATOM 1561 C SER A 96 -14.885 -18.531 7.865 1.00 1.27 C ATOM 1562 O SER A 96 -15.580 -17.547 8.144 1.00 1.25 O ATOM 1563 CB SER A 96 -14.850 -20.426 6.207 1.00 1.34 C ATOM 1564 OG SER A 96 -15.757 -20.517 5.112 1.00 1.52 O ATOM 0 H SER A 96 -17.187 -19.258 6.339 1.00 1.30 H new ATOM 0 HA SER A 96 -15.398 -20.562 8.293 1.00 1.32 H new ATOM 0 HB2 SER A 96 -14.010 -19.788 5.931 1.00 1.34 H new ATOM 0 HB3 SER A 96 -14.443 -21.413 6.425 1.00 1.34 H new ATOM 0 HG SER A 96 -16.089 -19.623 4.887 1.00 1.52 H new ATOM 1570 N LYS A 97 -13.555 -18.514 7.916 1.00 1.27 N ATOM 1571 CA LYS A 97 -12.814 -17.308 8.253 1.00 1.24 C ATOM 1572 C LYS A 97 -12.887 -16.336 7.082 1.00 1.21 C ATOM 1573 O LYS A 97 -12.265 -16.567 6.044 1.00 1.29 O ATOM 1574 CB LYS A 97 -11.347 -17.637 8.565 1.00 1.27 C ATOM 1575 CG LYS A 97 -11.162 -18.693 9.646 1.00 1.32 C ATOM 1576 CD LYS A 97 -11.384 -18.124 11.040 1.00 1.39 C ATOM 1577 CE LYS A 97 -10.271 -17.164 11.452 1.00 1.47 C ATOM 1578 NZ LYS A 97 -8.970 -17.856 11.660 1.00 1.58 N ATOM 0 H LYS A 97 -12.969 -19.327 7.727 1.00 1.27 H new ATOM 0 HA LYS A 97 -13.257 -16.857 9.141 1.00 1.24 H new ATOM 0 HB2 LYS A 97 -10.861 -17.979 7.651 1.00 1.27 H new ATOM 0 HB3 LYS A 97 -10.839 -16.723 8.874 1.00 1.27 H new ATOM 0 HG2 LYS A 97 -11.858 -19.514 9.474 1.00 1.32 H new ATOM 0 HG3 LYS A 97 -10.156 -19.108 9.579 1.00 1.32 H new ATOM 0 HD2 LYS A 97 -12.341 -17.603 11.070 1.00 1.39 H new ATOM 0 HD3 LYS A 97 -11.443 -18.941 11.759 1.00 1.39 H new ATOM 0 HE2 LYS A 97 -10.153 -16.399 10.685 1.00 1.47 H new ATOM 0 HE3 LYS A 97 -10.558 -16.653 12.371 1.00 1.47 H new ATOM 0 HZ1 LYS A 97 -8.299 -17.204 12.114 1.00 1.58 H new ATOM 0 HZ2 LYS A 97 -9.112 -18.687 12.270 1.00 1.58 H new ATOM 0 HZ3 LYS A 97 -8.589 -18.162 10.742 1.00 1.58 H new ATOM 1592 N HIS A 98 -13.664 -15.268 7.240 1.00 1.23 N ATOM 1593 CA HIS A 98 -13.815 -14.273 6.177 1.00 1.22 C ATOM 1594 C HIS A 98 -12.447 -13.856 5.636 1.00 1.10 C ATOM 1595 O HIS A 98 -11.438 -13.936 6.344 1.00 1.10 O ATOM 1596 CB HIS A 98 -14.560 -13.029 6.671 1.00 1.33 C ATOM 1597 CG HIS A 98 -15.850 -13.298 7.389 1.00 1.19 C ATOM 1598 ND1 HIS A 98 -16.712 -14.331 7.076 1.00 1.22 N ATOM 1599 CD2 HIS A 98 -16.416 -12.651 8.434 1.00 1.29 C ATOM 1600 CE1 HIS A 98 -17.745 -14.299 7.895 1.00 1.26 C ATOM 1601 NE2 HIS A 98 -17.590 -13.292 8.727 1.00 1.29 N ATOM 0 H HIS A 98 -14.196 -15.068 8.087 1.00 1.23 H new ATOM 0 HA HIS A 98 -14.400 -14.736 5.382 1.00 1.22 H new ATOM 0 HB2 HIS A 98 -13.902 -12.472 7.337 1.00 1.33 H new ATOM 0 HB3 HIS A 98 -14.766 -12.386 5.816 1.00 1.33 H new ATOM 0 HD1 HIS A 98 -16.572 -15.011 6.329 1.00 1.22 H new ATOM 0 HD2 HIS A 98 -16.015 -11.787 8.944 1.00 1.29 H new ATOM 0 HE1 HIS A 98 -18.579 -14.985 7.884 1.00 1.26 H new ATOM 1610 N ASP A 99 -12.415 -13.401 4.391 1.00 1.08 N ATOM 1611 CA ASP A 99 -11.166 -12.985 3.760 1.00 1.03 C ATOM 1612 C ASP A 99 -11.329 -11.638 3.061 1.00 0.96 C ATOM 1613 O ASP A 99 -12.451 -11.220 2.749 1.00 1.01 O ATOM 1614 CB ASP A 99 -10.717 -14.047 2.747 1.00 1.17 C ATOM 1615 CG ASP A 99 -9.227 -14.003 2.434 1.00 1.33 C ATOM 1616 OD1 ASP A 99 -8.576 -12.964 2.678 1.00 1.73 O ATOM 1617 OD2 ASP A 99 -8.696 -15.017 1.937 1.00 1.63 O ATOM 0 H ASP A 99 -13.239 -13.310 3.796 1.00 1.08 H new ATOM 0 HA ASP A 99 -10.408 -12.878 4.536 1.00 1.03 H new ATOM 0 HB2 ASP A 99 -10.969 -15.035 3.133 1.00 1.17 H new ATOM 0 HB3 ASP A 99 -11.278 -13.914 1.822 1.00 1.17 H new ATOM 1622 N ILE A 100 -10.211 -10.960 2.830 1.00 0.89 N ATOM 1623 CA ILE A 100 -10.212 -9.673 2.152 1.00 0.83 C ATOM 1624 C ILE A 100 -9.950 -9.895 0.670 1.00 0.84 C ATOM 1625 O ILE A 100 -8.804 -9.883 0.218 1.00 0.89 O ATOM 1626 CB ILE A 100 -9.152 -8.704 2.734 1.00 0.80 C ATOM 1627 CG1 ILE A 100 -9.436 -8.435 4.217 1.00 0.83 C ATOM 1628 CG2 ILE A 100 -9.133 -7.397 1.947 1.00 0.80 C ATOM 1629 CD1 ILE A 100 -8.390 -7.575 4.893 1.00 0.89 C ATOM 0 H ILE A 100 -9.285 -11.286 3.106 1.00 0.89 H new ATOM 0 HA ILE A 100 -11.188 -9.211 2.303 1.00 0.83 H new ATOM 0 HB ILE A 100 -8.170 -9.170 2.647 1.00 0.80 H new ATOM 0 HG12 ILE A 100 -10.407 -7.949 4.309 1.00 0.83 H new ATOM 0 HG13 ILE A 100 -9.505 -9.387 4.743 1.00 0.83 H new ATOM 0 HG21 ILE A 100 -8.383 -6.729 2.370 1.00 0.80 H new ATOM 0 HG22 ILE A 100 -8.889 -7.603 0.905 1.00 0.80 H new ATOM 0 HG23 ILE A 100 -10.113 -6.924 2.003 1.00 0.80 H new ATOM 0 HD11 ILE A 100 -8.660 -7.429 5.939 1.00 0.89 H new ATOM 0 HD12 ILE A 100 -7.420 -8.068 4.834 1.00 0.89 H new ATOM 0 HD13 ILE A 100 -8.336 -6.608 4.394 1.00 0.89 H new ATOM 1641 N ILE A 101 -11.022 -10.137 -0.074 1.00 0.84 N ATOM 1642 CA ILE A 101 -10.927 -10.387 -1.510 1.00 0.87 C ATOM 1643 C ILE A 101 -10.041 -9.355 -2.217 1.00 0.82 C ATOM 1644 O ILE A 101 -9.370 -9.681 -3.200 1.00 0.86 O ATOM 1645 CB ILE A 101 -12.318 -10.427 -2.188 1.00 0.91 C ATOM 1646 CG1 ILE A 101 -13.214 -9.280 -1.690 1.00 0.89 C ATOM 1647 CG2 ILE A 101 -12.977 -11.781 -1.955 1.00 0.98 C ATOM 1648 CD1 ILE A 101 -14.223 -9.687 -0.631 1.00 1.15 C ATOM 0 H ILE A 101 -11.973 -10.166 0.294 1.00 0.84 H new ATOM 0 HA ILE A 101 -10.464 -11.369 -1.611 1.00 0.87 H new ATOM 0 HB ILE A 101 -12.182 -10.290 -3.261 1.00 0.91 H new ATOM 0 HG12 ILE A 101 -12.581 -8.490 -1.287 1.00 0.89 H new ATOM 0 HG13 ILE A 101 -13.749 -8.857 -2.541 1.00 0.89 H new ATOM 0 HG21 ILE A 101 -13.955 -11.797 -2.436 1.00 0.98 H new ATOM 0 HG22 ILE A 101 -12.351 -12.568 -2.377 1.00 0.98 H new ATOM 0 HG23 ILE A 101 -13.097 -11.948 -0.885 1.00 0.98 H new ATOM 0 HD11 ILE A 101 -14.812 -8.818 -0.337 1.00 1.15 H new ATOM 0 HD12 ILE A 101 -14.884 -10.454 -1.034 1.00 1.15 H new ATOM 0 HD13 ILE A 101 -13.698 -10.081 0.239 1.00 1.15 H new ATOM 1660 N GLY A 102 -10.037 -8.116 -1.722 1.00 0.76 N ATOM 1661 CA GLY A 102 -9.219 -7.080 -2.328 1.00 0.72 C ATOM 1662 C GLY A 102 -9.296 -5.757 -1.585 1.00 0.68 C ATOM 1663 O GLY A 102 -10.194 -5.549 -0.763 1.00 0.67 O ATOM 0 H GLY A 102 -10.584 -7.815 -0.916 1.00 0.76 H new ATOM 0 HA2 GLY A 102 -8.182 -7.414 -2.359 1.00 0.72 H new ATOM 0 HA3 GLY A 102 -9.536 -6.931 -3.360 1.00 0.72 H new ATOM 1667 N GLU A 103 -8.364 -4.857 -1.882 1.00 0.70 N ATOM 1668 CA GLU A 103 -8.329 -3.550 -1.235 1.00 0.69 C ATOM 1669 C GLU A 103 -7.397 -2.593 -1.975 1.00 0.76 C ATOM 1670 O GLU A 103 -6.207 -2.874 -2.141 1.00 1.21 O ATOM 1671 CB GLU A 103 -7.884 -3.687 0.226 1.00 0.69 C ATOM 1672 CG GLU A 103 -6.578 -4.446 0.409 1.00 0.84 C ATOM 1673 CD GLU A 103 -5.825 -4.018 1.651 1.00 0.89 C ATOM 1674 OE1 GLU A 103 -5.187 -2.944 1.619 1.00 0.99 O ATOM 1675 OE2 GLU A 103 -5.859 -4.749 2.664 1.00 1.08 O ATOM 0 H GLU A 103 -7.623 -5.009 -2.566 1.00 0.70 H new ATOM 0 HA GLU A 103 -9.337 -3.137 -1.263 1.00 0.69 H new ATOM 0 HB2 GLU A 103 -7.777 -2.692 0.657 1.00 0.69 H new ATOM 0 HB3 GLU A 103 -8.668 -4.194 0.787 1.00 0.69 H new ATOM 0 HG2 GLU A 103 -6.788 -5.514 0.466 1.00 0.84 H new ATOM 0 HG3 GLU A 103 -5.946 -4.291 -0.466 1.00 0.84 H new ATOM 1682 N PHE A 104 -7.927 -1.456 -2.409 1.00 0.58 N ATOM 1683 CA PHE A 104 -7.128 -0.470 -3.126 1.00 0.60 C ATOM 1684 C PHE A 104 -6.783 0.701 -2.207 1.00 0.55 C ATOM 1685 O PHE A 104 -7.143 0.693 -1.024 1.00 0.65 O ATOM 1686 CB PHE A 104 -7.858 0.018 -4.386 1.00 0.67 C ATOM 1687 CG PHE A 104 -9.136 0.761 -4.119 1.00 0.70 C ATOM 1688 CD1 PHE A 104 -9.121 2.115 -3.822 1.00 0.71 C ATOM 1689 CD2 PHE A 104 -10.354 0.105 -4.180 1.00 0.91 C ATOM 1690 CE1 PHE A 104 -10.297 2.799 -3.587 1.00 0.89 C ATOM 1691 CE2 PHE A 104 -11.534 0.784 -3.948 1.00 1.07 C ATOM 1692 CZ PHE A 104 -11.506 2.133 -3.652 1.00 1.05 C ATOM 0 H PHE A 104 -8.904 -1.194 -2.277 1.00 0.58 H new ATOM 0 HA PHE A 104 -6.200 -0.944 -3.444 1.00 0.60 H new ATOM 0 HB2 PHE A 104 -7.187 0.666 -4.951 1.00 0.67 H new ATOM 0 HB3 PHE A 104 -8.078 -0.842 -5.019 1.00 0.67 H new ATOM 0 HD1 PHE A 104 -8.179 2.641 -3.774 1.00 0.71 H new ATOM 0 HD2 PHE A 104 -10.381 -0.950 -4.412 1.00 0.91 H new ATOM 0 HE1 PHE A 104 -10.272 3.853 -3.353 1.00 0.89 H new ATOM 0 HE2 PHE A 104 -12.478 0.261 -3.998 1.00 1.07 H new ATOM 0 HZ PHE A 104 -12.428 2.666 -3.472 1.00 1.05 H new ATOM 1702 N LYS A 105 -6.061 1.680 -2.734 1.00 0.46 N ATOM 1703 CA LYS A 105 -5.668 2.853 -1.960 1.00 0.41 C ATOM 1704 C LYS A 105 -5.065 3.918 -2.867 1.00 0.45 C ATOM 1705 O LYS A 105 -4.646 3.619 -3.988 1.00 0.51 O ATOM 1706 CB LYS A 105 -4.662 2.469 -0.866 1.00 0.43 C ATOM 1707 CG LYS A 105 -3.422 1.747 -1.382 1.00 0.53 C ATOM 1708 CD LYS A 105 -3.654 0.245 -1.519 1.00 0.68 C ATOM 1709 CE LYS A 105 -3.922 -0.409 -0.172 1.00 0.97 C ATOM 1710 NZ LYS A 105 -5.173 -1.213 -0.184 1.00 1.43 N ATOM 0 H LYS A 105 -5.733 1.686 -3.700 1.00 0.46 H new ATOM 0 HA LYS A 105 -6.562 3.259 -1.487 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -4.351 3.372 -0.341 1.00 0.43 H new ATOM 0 HB3 LYS A 105 -5.162 1.832 -0.136 1.00 0.43 H new ATOM 0 HG2 LYS A 105 -3.138 2.160 -2.350 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -2.589 1.925 -0.702 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -4.499 0.067 -2.184 1.00 0.68 H new ATOM 0 HD3 LYS A 105 -2.781 -0.217 -1.981 1.00 0.68 H new ATOM 0 HE2 LYS A 105 -3.081 -1.050 0.094 1.00 0.97 H new ATOM 0 HE3 LYS A 105 -3.992 0.360 0.597 1.00 0.97 H new ATOM 0 HZ1 LYS A 105 -5.200 -1.825 0.656 1.00 1.43 H new ATOM 0 HZ2 LYS A 105 -5.995 -0.576 -0.175 1.00 1.43 H new ATOM 0 HZ3 LYS A 105 -5.200 -1.801 -1.042 1.00 1.43 H new ATOM 1724 N VAL A 106 -5.031 5.154 -2.390 1.00 0.45 N ATOM 1725 CA VAL A 106 -4.472 6.252 -3.162 1.00 0.52 C ATOM 1726 C VAL A 106 -4.087 7.421 -2.254 1.00 0.46 C ATOM 1727 O VAL A 106 -4.855 7.817 -1.378 1.00 0.43 O ATOM 1728 CB VAL A 106 -5.455 6.736 -4.257 1.00 0.61 C ATOM 1729 CG1 VAL A 106 -6.771 7.212 -3.654 1.00 0.60 C ATOM 1730 CG2 VAL A 106 -4.822 7.830 -5.106 1.00 0.70 C ATOM 0 H VAL A 106 -5.384 5.421 -1.471 1.00 0.45 H new ATOM 0 HA VAL A 106 -3.574 5.875 -3.651 1.00 0.52 H new ATOM 0 HB VAL A 106 -5.676 5.886 -4.902 1.00 0.61 H new ATOM 0 HG11 VAL A 106 -7.437 7.544 -4.450 1.00 0.60 H new ATOM 0 HG12 VAL A 106 -7.239 6.392 -3.108 1.00 0.60 H new ATOM 0 HG13 VAL A 106 -6.580 8.040 -2.971 1.00 0.60 H new ATOM 0 HG21 VAL A 106 -5.530 8.155 -5.868 1.00 0.70 H new ATOM 0 HG22 VAL A 106 -4.559 8.676 -4.472 1.00 0.70 H new ATOM 0 HG23 VAL A 106 -3.923 7.443 -5.587 1.00 0.70 H new ATOM 1740 N PRO A 107 -2.871 7.962 -2.428 1.00 0.54 N ATOM 1741 CA PRO A 107 -2.388 9.098 -1.636 1.00 0.54 C ATOM 1742 C PRO A 107 -3.229 10.351 -1.880 1.00 0.46 C ATOM 1743 O PRO A 107 -3.200 10.925 -2.973 1.00 0.52 O ATOM 1744 CB PRO A 107 -0.950 9.307 -2.128 1.00 0.68 C ATOM 1745 CG PRO A 107 -0.588 8.044 -2.834 1.00 0.88 C ATOM 1746 CD PRO A 107 -1.866 7.499 -3.393 1.00 0.72 C ATOM 0 HA PRO A 107 -2.449 8.908 -0.564 1.00 0.54 H new ATOM 0 HB2 PRO A 107 -0.884 10.165 -2.798 1.00 0.68 H new ATOM 0 HB3 PRO A 107 -0.274 9.500 -1.295 1.00 0.68 H new ATOM 0 HG2 PRO A 107 0.134 8.235 -3.628 1.00 0.88 H new ATOM 0 HG3 PRO A 107 -0.128 7.332 -2.148 1.00 0.88 H new ATOM 0 HD2 PRO A 107 -2.063 7.880 -4.395 1.00 0.72 H new ATOM 0 HD3 PRO A 107 -1.845 6.411 -3.463 1.00 0.72 H new ATOM 1754 N MET A 108 -3.969 10.771 -0.858 1.00 0.45 N ATOM 1755 CA MET A 108 -4.836 11.944 -0.963 1.00 0.44 C ATOM 1756 C MET A 108 -4.085 13.163 -1.490 1.00 0.43 C ATOM 1757 O MET A 108 -4.625 13.913 -2.296 1.00 0.50 O ATOM 1758 CB MET A 108 -5.486 12.274 0.382 1.00 0.52 C ATOM 1759 CG MET A 108 -6.642 11.354 0.744 1.00 0.63 C ATOM 1760 SD MET A 108 -7.733 11.003 -0.653 1.00 0.73 S ATOM 1761 CE MET A 108 -8.061 12.652 -1.273 1.00 0.81 C ATOM 0 H MET A 108 -3.987 10.316 0.055 1.00 0.45 H new ATOM 0 HA MET A 108 -5.618 11.692 -1.680 1.00 0.44 H new ATOM 0 HB2 MET A 108 -4.730 12.218 1.165 1.00 0.52 H new ATOM 0 HB3 MET A 108 -5.845 13.303 0.359 1.00 0.52 H new ATOM 0 HG2 MET A 108 -6.244 10.416 1.131 1.00 0.63 H new ATOM 0 HG3 MET A 108 -7.223 11.809 1.546 1.00 0.63 H new ATOM 0 HE1 MET A 108 -8.664 12.587 -2.179 1.00 0.81 H new ATOM 0 HE2 MET A 108 -8.601 13.224 -0.518 1.00 0.81 H new ATOM 0 HE3 MET A 108 -7.118 13.150 -1.500 1.00 0.81 H new ATOM 1771 N ASN A 109 -2.842 13.360 -1.041 1.00 0.41 N ATOM 1772 CA ASN A 109 -2.041 14.501 -1.502 1.00 0.46 C ATOM 1773 C ASN A 109 -2.097 14.611 -3.025 1.00 0.48 C ATOM 1774 O ASN A 109 -2.064 15.707 -3.582 1.00 0.57 O ATOM 1775 CB ASN A 109 -0.579 14.376 -1.047 1.00 0.52 C ATOM 1776 CG ASN A 109 -0.015 15.697 -0.540 1.00 0.92 C ATOM 1777 OD1 ASN A 109 -0.704 16.458 0.139 1.00 1.74 O ATOM 1778 ND2 ASN A 109 1.239 15.989 -0.863 1.00 0.86 N ATOM 0 H ASN A 109 -2.372 12.754 -0.368 1.00 0.41 H new ATOM 0 HA ASN A 109 -2.464 15.402 -1.059 1.00 0.46 H new ATOM 0 HB2 ASN A 109 -0.509 13.627 -0.258 1.00 0.52 H new ATOM 0 HB3 ASN A 109 0.029 14.020 -1.879 1.00 0.52 H new ATOM 0 HD21 ASN A 109 1.656 16.864 -0.547 1.00 0.86 H new ATOM 0 HD22 ASN A 109 1.785 15.338 -1.427 1.00 0.86 H new ATOM 1785 N THR A 110 -2.179 13.461 -3.690 1.00 0.46 N ATOM 1786 CA THR A 110 -2.255 13.413 -5.141 1.00 0.54 C ATOM 1787 C THR A 110 -3.691 13.649 -5.616 1.00 0.59 C ATOM 1788 O THR A 110 -3.925 14.348 -6.610 1.00 0.84 O ATOM 1789 CB THR A 110 -1.765 12.051 -5.673 1.00 0.61 C ATOM 1790 OG1 THR A 110 -0.446 11.764 -5.177 1.00 1.03 O ATOM 1791 CG2 THR A 110 -1.762 12.029 -7.194 1.00 1.10 C ATOM 0 H THR A 110 -2.194 12.546 -3.240 1.00 0.46 H new ATOM 0 HA THR A 110 -1.611 14.202 -5.530 1.00 0.54 H new ATOM 0 HB THR A 110 -2.454 11.285 -5.318 1.00 0.61 H new ATOM 0 HG1 THR A 110 -0.354 10.799 -5.031 1.00 1.03 H new ATOM 0 HG21 THR A 110 -1.412 11.057 -7.543 1.00 1.10 H new ATOM 0 HG22 THR A 110 -2.773 12.205 -7.562 1.00 1.10 H new ATOM 0 HG23 THR A 110 -1.099 12.809 -7.568 1.00 1.10 H new ATOM 1799 N VAL A 111 -4.649 13.067 -4.898 1.00 0.54 N ATOM 1800 CA VAL A 111 -6.060 13.201 -5.244 1.00 0.59 C ATOM 1801 C VAL A 111 -6.581 14.584 -4.867 1.00 0.63 C ATOM 1802 O VAL A 111 -7.078 14.799 -3.760 1.00 0.73 O ATOM 1803 CB VAL A 111 -6.921 12.115 -4.560 1.00 0.63 C ATOM 1804 CG1 VAL A 111 -8.382 12.242 -4.971 1.00 0.69 C ATOM 1805 CG2 VAL A 111 -6.392 10.728 -4.896 1.00 0.68 C ATOM 0 H VAL A 111 -4.472 12.497 -4.071 1.00 0.54 H new ATOM 0 HA VAL A 111 -6.140 13.070 -6.323 1.00 0.59 H new ATOM 0 HB VAL A 111 -6.858 12.260 -3.481 1.00 0.63 H new ATOM 0 HG11 VAL A 111 -8.968 11.467 -4.477 1.00 0.69 H new ATOM 0 HG12 VAL A 111 -8.758 13.223 -4.679 1.00 0.69 H new ATOM 0 HG13 VAL A 111 -8.467 12.128 -6.052 1.00 0.69 H new ATOM 0 HG21 VAL A 111 -7.009 9.975 -4.407 1.00 0.68 H new ATOM 0 HG22 VAL A 111 -6.424 10.578 -5.975 1.00 0.68 H new ATOM 0 HG23 VAL A 111 -5.363 10.637 -4.547 1.00 0.68 H new ATOM 1815 N ASP A 112 -6.446 15.521 -5.796 1.00 0.74 N ATOM 1816 CA ASP A 112 -6.900 16.887 -5.579 1.00 0.84 C ATOM 1817 C ASP A 112 -8.401 16.923 -5.302 1.00 0.83 C ATOM 1818 O ASP A 112 -9.165 16.123 -5.848 1.00 1.03 O ATOM 1819 CB ASP A 112 -6.582 17.772 -6.793 1.00 1.06 C ATOM 1820 CG ASP A 112 -7.679 17.745 -7.845 1.00 1.21 C ATOM 1821 OD1 ASP A 112 -8.622 18.561 -7.750 1.00 1.40 O ATOM 1822 OD2 ASP A 112 -7.598 16.912 -8.776 1.00 1.45 O ATOM 0 H ASP A 112 -6.024 15.358 -6.710 1.00 0.74 H new ATOM 0 HA ASP A 112 -6.368 17.275 -4.710 1.00 0.84 H new ATOM 0 HB2 ASP A 112 -6.430 18.798 -6.459 1.00 1.06 H new ATOM 0 HB3 ASP A 112 -5.646 17.442 -7.242 1.00 1.06 H new ATOM 1827 N PHE A 113 -8.809 17.868 -4.468 1.00 0.80 N ATOM 1828 CA PHE A 113 -10.215 18.035 -4.117 1.00 0.82 C ATOM 1829 C PHE A 113 -10.743 19.358 -4.674 1.00 0.88 C ATOM 1830 O PHE A 113 -11.553 20.034 -4.043 1.00 0.98 O ATOM 1831 CB PHE A 113 -10.401 17.976 -2.592 1.00 0.86 C ATOM 1832 CG PHE A 113 -9.484 18.888 -1.821 1.00 0.88 C ATOM 1833 CD1 PHE A 113 -9.855 20.194 -1.539 1.00 0.99 C ATOM 1834 CD2 PHE A 113 -8.250 18.435 -1.376 1.00 0.87 C ATOM 1835 CE1 PHE A 113 -9.014 21.030 -0.829 1.00 1.05 C ATOM 1836 CE2 PHE A 113 -7.406 19.268 -0.667 1.00 0.94 C ATOM 1837 CZ PHE A 113 -7.788 20.566 -0.393 1.00 1.00 C ATOM 0 H PHE A 113 -8.183 18.536 -4.018 1.00 0.80 H new ATOM 0 HA PHE A 113 -10.785 17.219 -4.561 1.00 0.82 H new ATOM 0 HB2 PHE A 113 -11.433 18.231 -2.353 1.00 0.86 H new ATOM 0 HB3 PHE A 113 -10.241 16.951 -2.257 1.00 0.86 H new ATOM 0 HD1 PHE A 113 -10.812 20.562 -1.878 1.00 0.99 H new ATOM 0 HD2 PHE A 113 -7.946 17.420 -1.586 1.00 0.87 H new ATOM 0 HE1 PHE A 113 -9.315 22.045 -0.615 1.00 1.05 H new ATOM 0 HE2 PHE A 113 -6.448 18.904 -0.327 1.00 0.94 H new ATOM 0 HZ PHE A 113 -7.129 21.218 0.162 1.00 1.00 H new ATOM 1847 N GLY A 114 -10.280 19.714 -5.871 1.00 0.90 N ATOM 1848 CA GLY A 114 -10.707 20.950 -6.502 1.00 0.99 C ATOM 1849 C GLY A 114 -12.218 21.056 -6.625 1.00 1.01 C ATOM 1850 O GLY A 114 -12.772 22.154 -6.586 1.00 1.09 O ATOM 0 H GLY A 114 -9.615 19.165 -6.416 1.00 0.90 H new ATOM 0 HA2 GLY A 114 -10.334 21.796 -5.924 1.00 0.99 H new ATOM 0 HA3 GLY A 114 -10.260 21.020 -7.494 1.00 0.99 H new ATOM 1854 N HIS A 115 -12.887 19.916 -6.791 1.00 0.98 N ATOM 1855 CA HIS A 115 -14.342 19.889 -6.916 1.00 1.03 C ATOM 1856 C HIS A 115 -14.898 18.537 -6.469 1.00 0.98 C ATOM 1857 O HIS A 115 -15.453 18.422 -5.377 1.00 0.98 O ATOM 1858 CB HIS A 115 -14.769 20.196 -8.358 1.00 1.13 C ATOM 1859 CG HIS A 115 -14.603 21.637 -8.742 1.00 1.21 C ATOM 1860 ND1 HIS A 115 -13.491 22.115 -9.403 1.00 1.32 N ATOM 1861 CD2 HIS A 115 -15.408 22.710 -8.546 1.00 1.32 C ATOM 1862 CE1 HIS A 115 -13.620 23.414 -9.596 1.00 1.41 C ATOM 1863 NE2 HIS A 115 -14.773 23.799 -9.088 1.00 1.40 N ATOM 0 H HIS A 115 -12.444 18.999 -6.842 1.00 0.98 H new ATOM 0 HA HIS A 115 -14.753 20.661 -6.265 1.00 1.03 H new ATOM 0 HB2 HIS A 115 -14.185 19.578 -9.040 1.00 1.13 H new ATOM 0 HB3 HIS A 115 -15.814 19.913 -8.486 1.00 1.13 H new ATOM 0 HD2 HIS A 115 -16.370 22.708 -8.055 1.00 1.32 H new ATOM 0 HE1 HIS A 115 -12.902 24.054 -10.087 1.00 1.41 H new ATOM 0 HE2 HIS A 115 -15.135 24.753 -9.096 1.00 1.40 H new ATOM 1872 N VAL A 116 -14.732 17.515 -7.307 1.00 0.97 N ATOM 1873 CA VAL A 116 -15.219 16.173 -6.996 1.00 0.95 C ATOM 1874 C VAL A 116 -14.382 15.124 -7.718 1.00 0.92 C ATOM 1875 O VAL A 116 -14.053 15.285 -8.895 1.00 1.03 O ATOM 1876 CB VAL A 116 -16.705 15.989 -7.381 1.00 1.01 C ATOM 1877 CG1 VAL A 116 -17.598 16.817 -6.474 1.00 1.05 C ATOM 1878 CG2 VAL A 116 -16.938 16.356 -8.843 1.00 1.07 C ATOM 0 H VAL A 116 -14.262 17.592 -8.209 1.00 0.97 H new ATOM 0 HA VAL A 116 -15.128 16.045 -5.917 1.00 0.95 H new ATOM 0 HB VAL A 116 -16.961 14.938 -7.251 1.00 1.01 H new ATOM 0 HG11 VAL A 116 -18.640 16.674 -6.761 1.00 1.05 H new ATOM 0 HG12 VAL A 116 -17.459 16.501 -5.440 1.00 1.05 H new ATOM 0 HG13 VAL A 116 -17.336 17.871 -6.569 1.00 1.05 H new ATOM 0 HG21 VAL A 116 -17.991 16.218 -9.089 1.00 1.07 H new ATOM 0 HG22 VAL A 116 -16.661 17.398 -9.005 1.00 1.07 H new ATOM 0 HG23 VAL A 116 -16.329 15.715 -9.481 1.00 1.07 H new ATOM 1888 N THR A 117 -14.050 14.053 -7.016 1.00 0.87 N ATOM 1889 CA THR A 117 -13.249 12.978 -7.577 1.00 0.85 C ATOM 1890 C THR A 117 -14.136 11.815 -8.035 1.00 0.86 C ATOM 1891 O THR A 117 -14.492 10.933 -7.246 1.00 0.85 O ATOM 1892 CB THR A 117 -12.215 12.471 -6.548 1.00 0.82 C ATOM 1893 OG1 THR A 117 -11.677 13.581 -5.809 1.00 0.87 O ATOM 1894 CG2 THR A 117 -11.086 11.709 -7.235 1.00 0.84 C ATOM 0 H THR A 117 -14.327 13.905 -6.046 1.00 0.87 H new ATOM 0 HA THR A 117 -12.720 13.377 -8.443 1.00 0.85 H new ATOM 0 HB THR A 117 -12.720 11.789 -5.864 1.00 0.82 H new ATOM 0 HG1 THR A 117 -11.023 13.254 -5.157 1.00 0.87 H new ATOM 0 HG21 THR A 117 -10.372 11.363 -6.487 1.00 0.84 H new ATOM 0 HG22 THR A 117 -11.497 10.851 -7.768 1.00 0.84 H new ATOM 0 HG23 THR A 117 -10.581 12.367 -7.942 1.00 0.84 H new ATOM 1902 N GLU A 118 -14.506 11.833 -9.312 1.00 0.91 N ATOM 1903 CA GLU A 118 -15.348 10.796 -9.894 1.00 0.95 C ATOM 1904 C GLU A 118 -14.518 9.959 -10.862 1.00 0.95 C ATOM 1905 O GLU A 118 -14.296 10.358 -12.010 1.00 1.02 O ATOM 1906 CB GLU A 118 -16.544 11.433 -10.612 1.00 1.04 C ATOM 1907 CG GLU A 118 -17.359 12.363 -9.724 1.00 1.08 C ATOM 1908 CD GLU A 118 -18.258 13.282 -10.520 1.00 1.22 C ATOM 1909 OE1 GLU A 118 -17.757 14.283 -11.065 1.00 1.34 O ATOM 1910 OE2 GLU A 118 -19.472 13.012 -10.598 1.00 1.38 O ATOM 0 H GLU A 118 -14.232 12.564 -9.969 1.00 0.91 H new ATOM 0 HA GLU A 118 -15.731 10.148 -9.106 1.00 0.95 H new ATOM 0 HB2 GLU A 118 -16.184 11.991 -11.476 1.00 1.04 H new ATOM 0 HB3 GLU A 118 -17.193 10.644 -10.991 1.00 1.04 H new ATOM 0 HG2 GLU A 118 -17.966 11.769 -9.041 1.00 1.08 H new ATOM 0 HG3 GLU A 118 -16.683 12.961 -9.112 1.00 1.08 H new ATOM 1917 N GLU A 119 -14.048 8.811 -10.394 1.00 0.92 N ATOM 1918 CA GLU A 119 -13.205 7.941 -11.207 1.00 0.94 C ATOM 1919 C GLU A 119 -13.604 6.473 -11.069 1.00 0.92 C ATOM 1920 O GLU A 119 -14.120 6.047 -10.030 1.00 0.92 O ATOM 1921 CB GLU A 119 -11.738 8.118 -10.799 1.00 0.91 C ATOM 1922 CG GLU A 119 -11.535 8.215 -9.292 1.00 0.93 C ATOM 1923 CD GLU A 119 -10.072 8.231 -8.887 1.00 0.88 C ATOM 1924 OE1 GLU A 119 -9.298 9.030 -9.452 1.00 1.07 O ATOM 1925 OE2 GLU A 119 -9.688 7.441 -8.000 1.00 0.87 O ATOM 0 H GLU A 119 -14.235 8.459 -9.455 1.00 0.92 H new ATOM 0 HA GLU A 119 -13.340 8.226 -12.251 1.00 0.94 H new ATOM 0 HB2 GLU A 119 -11.158 7.278 -11.183 1.00 0.91 H new ATOM 0 HB3 GLU A 119 -11.344 9.019 -11.270 1.00 0.91 H new ATOM 0 HG2 GLU A 119 -12.017 9.121 -8.924 1.00 0.93 H new ATOM 0 HG3 GLU A 119 -12.030 7.372 -8.810 1.00 0.93 H new ATOM 1932 N TRP A 120 -13.356 5.705 -12.125 1.00 0.94 N ATOM 1933 CA TRP A 120 -13.672 4.282 -12.131 1.00 0.95 C ATOM 1934 C TRP A 120 -12.500 3.499 -11.551 1.00 0.91 C ATOM 1935 O TRP A 120 -11.721 2.875 -12.276 1.00 1.04 O ATOM 1936 CB TRP A 120 -14.000 3.803 -13.551 1.00 1.03 C ATOM 1937 CG TRP A 120 -15.019 4.657 -14.249 1.00 1.10 C ATOM 1938 CD1 TRP A 120 -15.092 4.908 -15.587 1.00 1.22 C ATOM 1939 CD2 TRP A 120 -16.099 5.382 -13.644 1.00 1.10 C ATOM 1940 NE1 TRP A 120 -16.149 5.744 -15.853 1.00 1.29 N ATOM 1941 CE2 TRP A 120 -16.782 6.050 -14.677 1.00 1.21 C ATOM 1942 CE3 TRP A 120 -16.551 5.535 -12.329 1.00 1.08 C ATOM 1943 CZ2 TRP A 120 -17.897 6.848 -14.437 1.00 1.26 C ATOM 1944 CZ3 TRP A 120 -17.657 6.328 -12.093 1.00 1.15 C ATOM 1945 CH2 TRP A 120 -18.317 6.978 -13.140 1.00 1.23 C ATOM 0 H TRP A 120 -12.936 6.046 -12.990 1.00 0.94 H new ATOM 0 HA TRP A 120 -14.553 4.110 -11.513 1.00 0.95 H new ATOM 0 HB2 TRP A 120 -13.084 3.788 -14.142 1.00 1.03 H new ATOM 0 HB3 TRP A 120 -14.367 2.778 -13.505 1.00 1.03 H new ATOM 0 HD1 TRP A 120 -14.417 4.508 -16.329 1.00 1.22 H new ATOM 0 HE1 TRP A 120 -16.419 6.082 -16.777 1.00 1.29 H new ATOM 0 HE3 TRP A 120 -16.044 5.042 -11.513 1.00 1.08 H new ATOM 0 HZ2 TRP A 120 -18.412 7.347 -15.245 1.00 1.26 H new ATOM 0 HZ3 TRP A 120 -18.018 6.448 -11.082 1.00 1.15 H new ATOM 0 HH2 TRP A 120 -19.176 7.595 -12.922 1.00 1.23 H new ATOM 1956 N ARG A 121 -12.376 3.567 -10.234 1.00 0.85 N ATOM 1957 CA ARG A 121 -11.302 2.898 -9.511 1.00 0.81 C ATOM 1958 C ARG A 121 -11.307 1.394 -9.752 1.00 0.84 C ATOM 1959 O ARG A 121 -12.323 0.727 -9.554 1.00 0.87 O ATOM 1960 CB ARG A 121 -11.438 3.182 -8.014 1.00 0.77 C ATOM 1961 CG ARG A 121 -10.464 2.407 -7.135 1.00 0.78 C ATOM 1962 CD ARG A 121 -9.015 2.758 -7.437 1.00 0.80 C ATOM 1963 NE ARG A 121 -8.777 4.205 -7.426 1.00 0.80 N ATOM 1964 CZ ARG A 121 -7.628 4.777 -7.803 1.00 0.94 C ATOM 1965 NH1 ARG A 121 -6.595 4.024 -8.180 1.00 1.07 N ATOM 1966 NH2 ARG A 121 -7.519 6.104 -7.811 1.00 1.03 N ATOM 0 H ARG A 121 -13.017 4.088 -9.635 1.00 0.85 H new ATOM 0 HA ARG A 121 -10.355 3.290 -9.881 1.00 0.81 H new ATOM 0 HB2 ARG A 121 -11.292 4.249 -7.844 1.00 0.77 H new ATOM 0 HB3 ARG A 121 -12.456 2.946 -7.703 1.00 0.77 H new ATOM 0 HG2 ARG A 121 -10.676 2.617 -6.087 1.00 0.78 H new ATOM 0 HG3 ARG A 121 -10.616 1.338 -7.282 1.00 0.78 H new ATOM 0 HD2 ARG A 121 -8.367 2.280 -6.702 1.00 0.80 H new ATOM 0 HD3 ARG A 121 -8.742 2.355 -8.412 1.00 0.80 H new ATOM 0 HE ARG A 121 -9.534 4.812 -7.112 1.00 0.80 H new ATOM 0 HH11 ARG A 121 -6.679 3.007 -8.182 1.00 1.07 H new ATOM 0 HH12 ARG A 121 -5.721 4.464 -8.467 1.00 1.07 H new ATOM 0 HH21 ARG A 121 -8.311 6.682 -7.530 1.00 1.03 H new ATOM 0 HH22 ARG A 121 -6.644 6.542 -8.098 1.00 1.03 H new ATOM 1980 N ASP A 122 -10.165 0.871 -10.185 1.00 0.84 N ATOM 1981 CA ASP A 122 -10.025 -0.559 -10.419 1.00 0.89 C ATOM 1982 C ASP A 122 -9.836 -1.260 -9.077 1.00 0.81 C ATOM 1983 O ASP A 122 -9.358 -0.648 -8.117 1.00 0.78 O ATOM 1984 CB ASP A 122 -8.844 -0.848 -11.358 1.00 0.97 C ATOM 1985 CG ASP A 122 -7.510 -0.890 -10.636 1.00 0.95 C ATOM 1986 OD1 ASP A 122 -6.897 0.182 -10.449 1.00 0.94 O ATOM 1987 OD2 ASP A 122 -7.067 -1.997 -10.261 1.00 1.02 O ATOM 0 H ASP A 122 -9.325 1.416 -10.380 1.00 0.84 H new ATOM 0 HA ASP A 122 -10.925 -0.937 -10.904 1.00 0.89 H new ATOM 0 HB2 ASP A 122 -9.010 -1.802 -11.859 1.00 0.97 H new ATOM 0 HB3 ASP A 122 -8.808 -0.083 -12.133 1.00 0.97 H new ATOM 1992 N LEU A 123 -10.212 -2.527 -9.001 1.00 0.83 N ATOM 1993 CA LEU A 123 -10.102 -3.273 -7.757 1.00 0.78 C ATOM 1994 C LEU A 123 -9.000 -4.326 -7.832 1.00 0.81 C ATOM 1995 O LEU A 123 -8.967 -5.149 -8.751 1.00 0.89 O ATOM 1996 CB LEU A 123 -11.441 -3.931 -7.417 1.00 0.78 C ATOM 1997 CG LEU A 123 -12.569 -2.969 -7.033 1.00 0.77 C ATOM 1998 CD1 LEU A 123 -13.873 -3.730 -6.840 1.00 0.81 C ATOM 1999 CD2 LEU A 123 -12.208 -2.201 -5.769 1.00 0.75 C ATOM 0 H LEU A 123 -10.595 -3.059 -9.783 1.00 0.83 H new ATOM 0 HA LEU A 123 -9.837 -2.570 -6.967 1.00 0.78 H new ATOM 0 HB2 LEU A 123 -11.765 -4.519 -8.275 1.00 0.78 H new ATOM 0 HB3 LEU A 123 -11.285 -4.628 -6.593 1.00 0.78 H new ATOM 0 HG LEU A 123 -12.703 -2.253 -7.844 1.00 0.77 H new ATOM 0 HD11 LEU A 123 -14.665 -3.032 -6.567 1.00 0.81 H new ATOM 0 HD12 LEU A 123 -14.139 -4.237 -7.768 1.00 0.81 H new ATOM 0 HD13 LEU A 123 -13.750 -4.467 -6.046 1.00 0.81 H new ATOM 0 HD21 LEU A 123 -13.021 -1.522 -5.511 1.00 0.75 H new ATOM 0 HD22 LEU A 123 -12.047 -2.903 -4.950 1.00 0.75 H new ATOM 0 HD23 LEU A 123 -11.297 -1.628 -5.939 1.00 0.75 H new ATOM 2011 N GLN A 124 -8.112 -4.302 -6.843 1.00 0.78 N ATOM 2012 CA GLN A 124 -7.006 -5.247 -6.772 1.00 0.82 C ATOM 2013 C GLN A 124 -7.137 -6.125 -5.527 1.00 0.78 C ATOM 2014 O GLN A 124 -7.450 -5.627 -4.438 1.00 0.74 O ATOM 2015 CB GLN A 124 -5.668 -4.496 -6.752 1.00 0.86 C ATOM 2016 CG GLN A 124 -5.413 -3.719 -5.465 1.00 1.04 C ATOM 2017 CD GLN A 124 -4.302 -4.325 -4.628 1.00 1.07 C ATOM 2018 OE1 GLN A 124 -3.307 -4.817 -5.160 1.00 1.42 O ATOM 2019 NE2 GLN A 124 -4.455 -4.288 -3.314 1.00 1.42 N ATOM 0 H GLN A 124 -8.139 -3.632 -6.074 1.00 0.78 H new ATOM 0 HA GLN A 124 -7.036 -5.886 -7.654 1.00 0.82 H new ATOM 0 HB2 GLN A 124 -4.859 -5.212 -6.899 1.00 0.86 H new ATOM 0 HB3 GLN A 124 -5.638 -3.804 -7.594 1.00 0.86 H new ATOM 0 HG2 GLN A 124 -5.156 -2.689 -5.712 1.00 1.04 H new ATOM 0 HG3 GLN A 124 -6.330 -3.687 -4.877 1.00 1.04 H new ATOM 0 HE21 GLN A 124 -5.294 -3.872 -2.910 1.00 1.42 H new ATOM 0 HE22 GLN A 124 -3.734 -4.676 -2.705 1.00 1.42 H new ATOM 2028 N SER A 125 -6.922 -7.428 -5.694 1.00 0.84 N ATOM 2029 CA SER A 125 -7.007 -8.373 -4.583 1.00 0.84 C ATOM 2030 C SER A 125 -5.881 -8.130 -3.575 1.00 0.81 C ATOM 2031 O SER A 125 -4.908 -7.433 -3.877 1.00 1.10 O ATOM 2032 CB SER A 125 -6.935 -9.813 -5.105 1.00 0.97 C ATOM 2033 OG SER A 125 -7.300 -9.881 -6.475 1.00 1.08 O ATOM 0 H SER A 125 -6.687 -7.854 -6.590 1.00 0.84 H new ATOM 0 HA SER A 125 -7.962 -8.221 -4.080 1.00 0.84 H new ATOM 0 HB2 SER A 125 -5.924 -10.199 -4.976 1.00 0.97 H new ATOM 0 HB3 SER A 125 -7.597 -10.449 -4.518 1.00 0.97 H new ATOM 0 HG SER A 125 -8.265 -10.037 -6.549 1.00 1.08 H new ATOM 2039 N ALA A 126 -6.019 -8.706 -2.384 1.00 0.87 N ATOM 2040 CA ALA A 126 -5.017 -8.558 -1.337 1.00 0.91 C ATOM 2041 C ALA A 126 -5.015 -9.771 -0.410 1.00 0.83 C ATOM 2042 O ALA A 126 -6.038 -10.437 -0.242 1.00 1.10 O ATOM 2043 CB ALA A 126 -5.264 -7.281 -0.544 1.00 1.17 C ATOM 0 H ALA A 126 -6.819 -9.281 -2.121 1.00 0.87 H new ATOM 0 HA ALA A 126 -4.037 -8.491 -1.809 1.00 0.91 H new ATOM 0 HB1 ALA A 126 -4.507 -7.184 0.235 1.00 1.17 H new ATOM 0 HB2 ALA A 126 -5.209 -6.421 -1.212 1.00 1.17 H new ATOM 0 HB3 ALA A 126 -6.252 -7.322 -0.086 1.00 1.17 H new ATOM 2049 N GLU A 127 -3.855 -10.063 0.164 1.00 0.72 N ATOM 2050 CA GLU A 127 -3.713 -11.185 1.081 1.00 0.73 C ATOM 2051 C GLU A 127 -3.442 -10.676 2.492 1.00 0.81 C ATOM 2052 O GLU A 127 -2.335 -10.220 2.797 1.00 1.06 O ATOM 2053 CB GLU A 127 -2.585 -12.115 0.627 1.00 0.83 C ATOM 2054 CG GLU A 127 -2.859 -12.801 -0.703 1.00 0.83 C ATOM 2055 CD GLU A 127 -1.742 -13.735 -1.114 1.00 0.85 C ATOM 2056 OE1 GLU A 127 -0.620 -13.249 -1.369 1.00 1.17 O ATOM 2057 OE2 GLU A 127 -1.974 -14.958 -1.181 1.00 1.22 O ATOM 0 H GLU A 127 -2.996 -9.535 0.009 1.00 0.72 H new ATOM 0 HA GLU A 127 -4.644 -11.751 1.082 1.00 0.73 H new ATOM 0 HB2 GLU A 127 -1.662 -11.541 0.547 1.00 0.83 H new ATOM 0 HB3 GLU A 127 -2.422 -12.875 1.391 1.00 0.83 H new ATOM 0 HG2 GLU A 127 -3.791 -13.362 -0.633 1.00 0.83 H new ATOM 0 HG3 GLU A 127 -2.999 -12.045 -1.476 1.00 0.83 H new ATOM 2064 N LYS A 128 -4.456 -10.744 3.343 1.00 0.87 N ATOM 2065 CA LYS A 128 -4.344 -10.286 4.720 1.00 1.03 C ATOM 2066 C LYS A 128 -4.767 -11.389 5.677 1.00 1.17 C ATOM 2067 O LYS A 128 -3.928 -11.830 6.489 1.00 1.46 O ATOM 2068 CB LYS A 128 -5.210 -9.045 4.939 1.00 1.16 C ATOM 2069 CG LYS A 128 -4.743 -7.824 4.162 1.00 1.12 C ATOM 2070 CD LYS A 128 -3.425 -7.289 4.696 1.00 1.11 C ATOM 2071 CE LYS A 128 -3.057 -5.956 4.064 1.00 1.24 C ATOM 2072 NZ LYS A 128 -4.017 -4.875 4.419 1.00 1.44 N ATOM 2073 OXT LYS A 128 -5.936 -11.817 5.608 1.00 1.49 O ATOM 0 H LYS A 128 -5.374 -11.116 3.100 1.00 0.87 H new ATOM 0 HA LYS A 128 -3.303 -10.028 4.916 1.00 1.03 H new ATOM 0 HB2 LYS A 128 -6.236 -9.275 4.653 1.00 1.16 H new ATOM 0 HB3 LYS A 128 -5.221 -8.805 6.002 1.00 1.16 H new ATOM 0 HG2 LYS A 128 -4.631 -8.083 3.109 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -5.502 -7.044 4.219 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -3.492 -7.172 5.778 1.00 1.11 H new ATOM 0 HD3 LYS A 128 -2.634 -8.013 4.502 1.00 1.11 H new ATOM 0 HE2 LYS A 128 -2.056 -5.669 4.385 1.00 1.24 H new ATOM 0 HE3 LYS A 128 -3.024 -6.068 2.980 1.00 1.24 H new ATOM 0 HZ1 LYS A 128 -3.615 -3.953 4.155 1.00 1.44 H new ATOM 0 HZ2 LYS A 128 -4.910 -5.022 3.907 1.00 1.44 H new ATOM 0 HZ3 LYS A 128 -4.198 -4.894 5.443 1.00 1.44 H new ATOM 2088 N TYR B 1 26.847 13.600 -2.536 1.00 0.91 N ATOM 2089 CA TYR B 1 25.925 14.158 -1.521 1.00 0.87 C ATOM 2090 C TYR B 1 24.957 13.073 -1.046 1.00 0.80 C ATOM 2091 O TYR B 1 23.807 13.021 -1.480 1.00 0.82 O ATOM 2092 CB TYR B 1 25.158 15.341 -2.131 1.00 0.91 C ATOM 2093 CG TYR B 1 24.563 16.303 -1.125 1.00 0.92 C ATOM 2094 CD1 TYR B 1 25.363 16.975 -0.208 1.00 1.06 C ATOM 2095 CD2 TYR B 1 23.196 16.549 -1.106 1.00 0.97 C ATOM 2096 CE1 TYR B 1 24.817 17.863 0.699 1.00 1.12 C ATOM 2097 CE2 TYR B 1 22.643 17.437 -0.206 1.00 1.02 C ATOM 2098 CZ TYR B 1 23.456 18.091 0.696 1.00 1.04 C ATOM 2099 OH TYR B 1 22.905 18.982 1.593 1.00 1.14 O ATOM 0 H1 TYR B 1 27.641 14.255 -2.681 1.00 0.91 H new ATOM 0 H2 TYR B 1 27.210 12.682 -2.208 1.00 0.91 H new ATOM 0 H3 TYR B 1 26.338 13.470 -3.433 1.00 0.91 H new ATOM 0 HA TYR B 1 26.493 14.511 -0.660 1.00 0.87 H new ATOM 0 HB2 TYR B 1 25.832 15.894 -2.785 1.00 0.91 H new ATOM 0 HB3 TYR B 1 24.356 14.951 -2.757 1.00 0.91 H new ATOM 0 HD1 TYR B 1 26.429 16.800 -0.204 1.00 1.06 H new ATOM 0 HD2 TYR B 1 22.555 16.036 -1.808 1.00 0.97 H new ATOM 0 HE1 TYR B 1 25.452 18.376 1.406 1.00 1.12 H new ATOM 0 HE2 TYR B 1 21.578 17.619 -0.208 1.00 1.02 H new ATOM 0 HH TYR B 1 22.325 19.611 1.115 1.00 1.14 H new ATOM 2111 N LYS B 2 25.434 12.204 -0.153 1.00 0.81 N ATOM 2112 CA LYS B 2 24.617 11.107 0.362 1.00 0.81 C ATOM 2113 C LYS B 2 23.487 11.636 1.249 1.00 0.77 C ATOM 2114 O LYS B 2 23.572 11.621 2.479 1.00 0.85 O ATOM 2115 CB LYS B 2 25.482 10.089 1.125 1.00 0.90 C ATOM 2116 CG LYS B 2 26.050 10.607 2.439 1.00 1.00 C ATOM 2117 CD LYS B 2 25.563 9.777 3.619 1.00 1.14 C ATOM 2118 CE LYS B 2 25.398 10.620 4.874 1.00 1.24 C ATOM 2119 NZ LYS B 2 24.032 11.196 4.976 1.00 1.19 N ATOM 0 H LYS B 2 26.380 12.239 0.227 1.00 0.81 H new ATOM 0 HA LYS B 2 24.166 10.596 -0.489 1.00 0.81 H new ATOM 0 HB2 LYS B 2 24.883 9.201 1.327 1.00 0.90 H new ATOM 0 HB3 LYS B 2 26.307 9.778 0.484 1.00 0.90 H new ATOM 0 HG2 LYS B 2 27.139 10.584 2.401 1.00 1.00 H new ATOM 0 HG3 LYS B 2 25.758 11.648 2.579 1.00 1.00 H new ATOM 0 HD2 LYS B 2 24.611 9.311 3.367 1.00 1.14 H new ATOM 0 HD3 LYS B 2 26.271 8.971 3.813 1.00 1.14 H new ATOM 0 HE2 LYS B 2 25.601 10.008 5.753 1.00 1.24 H new ATOM 0 HE3 LYS B 2 26.133 11.425 4.870 1.00 1.24 H new ATOM 0 HZ1 LYS B 2 24.002 11.883 5.757 1.00 1.19 H new ATOM 0 HZ2 LYS B 2 23.789 11.674 4.085 1.00 1.19 H new ATOM 0 HZ3 LYS B 2 23.347 10.435 5.158 1.00 1.19 H new ATOM 2133 N LYS B 3 22.431 12.112 0.607 1.00 0.72 N ATOM 2134 CA LYS B 3 21.275 12.653 1.309 1.00 0.71 C ATOM 2135 C LYS B 3 20.002 11.908 0.906 1.00 0.66 C ATOM 2136 O LYS B 3 20.060 11.010 0.065 1.00 0.63 O ATOM 2137 CB LYS B 3 21.159 14.153 1.022 1.00 0.75 C ATOM 2138 CG LYS B 3 21.944 15.000 2.010 1.00 0.84 C ATOM 2139 CD LYS B 3 21.188 16.254 2.411 1.00 0.91 C ATOM 2140 CE LYS B 3 21.883 16.973 3.556 1.00 1.04 C ATOM 2141 NZ LYS B 3 21.517 18.407 3.611 1.00 1.10 N ATOM 0 H LYS B 3 22.350 12.135 -0.410 1.00 0.72 H new ATOM 0 HA LYS B 3 21.407 12.514 2.382 1.00 0.71 H new ATOM 0 HB2 LYS B 3 21.516 14.355 0.012 1.00 0.75 H new ATOM 0 HB3 LYS B 3 20.109 14.445 1.053 1.00 0.75 H new ATOM 0 HG2 LYS B 3 22.164 14.409 2.899 1.00 0.84 H new ATOM 0 HG3 LYS B 3 22.901 15.279 1.568 1.00 0.84 H new ATOM 0 HD2 LYS B 3 21.107 16.923 1.554 1.00 0.91 H new ATOM 0 HD3 LYS B 3 20.172 15.991 2.707 1.00 0.91 H new ATOM 0 HE2 LYS B 3 21.619 16.494 4.499 1.00 1.04 H new ATOM 0 HE3 LYS B 3 22.963 16.878 3.442 1.00 1.04 H new ATOM 0 HZ1 LYS B 3 21.797 18.802 4.531 1.00 1.10 H new ATOM 0 HZ2 LYS B 3 22.007 18.920 2.851 1.00 1.10 H new ATOM 0 HZ3 LYS B 3 20.489 18.508 3.490 1.00 1.10 H new ATOM 2155 N PRO B 4 18.845 12.257 1.520 1.00 0.69 N ATOM 2156 CA PRO B 4 17.549 11.650 1.258 1.00 0.68 C ATOM 2157 C PRO B 4 17.473 10.889 -0.065 1.00 0.63 C ATOM 2158 O PRO B 4 17.473 11.482 -1.146 1.00 0.70 O ATOM 2159 CB PRO B 4 16.644 12.880 1.256 1.00 0.81 C ATOM 2160 CG PRO B 4 17.298 13.847 2.208 1.00 0.89 C ATOM 2161 CD PRO B 4 18.671 13.298 2.534 1.00 0.77 C ATOM 0 HA PRO B 4 17.286 10.882 1.986 1.00 0.68 H new ATOM 0 HB2 PRO B 4 16.560 13.306 0.256 1.00 0.81 H new ATOM 0 HB3 PRO B 4 15.635 12.628 1.581 1.00 0.81 H new ATOM 0 HG2 PRO B 4 17.377 14.836 1.757 1.00 0.89 H new ATOM 0 HG3 PRO B 4 16.703 13.956 3.114 1.00 0.89 H new ATOM 0 HD2 PRO B 4 19.442 14.065 2.464 1.00 0.77 H new ATOM 0 HD3 PRO B 4 18.716 12.892 3.544 1.00 0.77 H new ATOM 2169 N LYS B 5 17.411 9.567 0.041 1.00 0.55 N ATOM 2170 CA LYS B 5 17.340 8.701 -1.126 1.00 0.56 C ATOM 2171 C LYS B 5 15.896 8.266 -1.374 1.00 0.54 C ATOM 2172 O LYS B 5 15.218 7.800 -0.453 1.00 0.68 O ATOM 2173 CB LYS B 5 18.229 7.463 -0.924 1.00 0.58 C ATOM 2174 CG LYS B 5 19.571 7.756 -0.258 1.00 0.68 C ATOM 2175 CD LYS B 5 20.573 8.346 -1.234 1.00 0.70 C ATOM 2176 CE LYS B 5 21.893 8.679 -0.554 1.00 0.69 C ATOM 2177 NZ LYS B 5 22.348 7.598 0.366 1.00 0.68 N ATOM 0 H LYS B 5 17.409 9.070 0.932 1.00 0.55 H new ATOM 0 HA LYS B 5 17.697 9.257 -1.993 1.00 0.56 H new ATOM 0 HB2 LYS B 5 17.687 6.736 -0.319 1.00 0.58 H new ATOM 0 HB3 LYS B 5 18.411 6.999 -1.893 1.00 0.58 H new ATOM 0 HG2 LYS B 5 19.421 8.448 0.571 1.00 0.68 H new ATOM 0 HG3 LYS B 5 19.975 6.836 0.164 1.00 0.68 H new ATOM 0 HD2 LYS B 5 20.750 7.640 -2.045 1.00 0.70 H new ATOM 0 HD3 LYS B 5 20.157 9.248 -1.682 1.00 0.70 H new ATOM 0 HE2 LYS B 5 22.656 8.851 -1.313 1.00 0.69 H new ATOM 0 HE3 LYS B 5 21.786 9.608 0.006 1.00 0.69 H new ATOM 0 HZ1 LYS B 5 23.387 7.579 0.392 1.00 0.68 H new ATOM 0 HZ2 LYS B 5 21.981 7.779 1.322 1.00 0.68 H new ATOM 0 HZ3 LYS B 5 21.993 6.681 0.026 1.00 0.68 H new ATOM 2191 N LEU B 6 15.429 8.420 -2.612 1.00 0.47 N ATOM 2192 CA LEU B 6 14.066 8.037 -2.973 1.00 0.45 C ATOM 2193 C LEU B 6 14.086 6.751 -3.792 1.00 0.45 C ATOM 2194 O LEU B 6 14.943 6.577 -4.665 1.00 0.47 O ATOM 2195 CB LEU B 6 13.386 9.162 -3.762 1.00 0.49 C ATOM 2196 CG LEU B 6 11.909 8.928 -4.100 1.00 0.57 C ATOM 2197 CD1 LEU B 6 11.178 10.255 -4.246 1.00 0.64 C ATOM 2198 CD2 LEU B 6 11.776 8.107 -5.375 1.00 0.75 C ATOM 0 H LEU B 6 15.975 8.807 -3.382 1.00 0.47 H new ATOM 0 HA LEU B 6 13.496 7.864 -2.060 1.00 0.45 H new ATOM 0 HB2 LEU B 6 13.468 10.086 -3.189 1.00 0.49 H new ATOM 0 HB3 LEU B 6 13.934 9.314 -4.692 1.00 0.49 H new ATOM 0 HG LEU B 6 11.454 8.371 -3.281 1.00 0.57 H new ATOM 0 HD11 LEU B 6 10.131 10.069 -4.486 1.00 0.64 H new ATOM 0 HD12 LEU B 6 11.243 10.811 -3.311 1.00 0.64 H new ATOM 0 HD13 LEU B 6 11.636 10.837 -5.046 1.00 0.64 H new ATOM 0 HD21 LEU B 6 10.721 7.951 -5.599 1.00 0.75 H new ATOM 0 HD22 LEU B 6 12.248 8.639 -6.201 1.00 0.75 H new ATOM 0 HD23 LEU B 6 12.264 7.142 -5.239 1.00 0.75 H new ATOM 2210 N LEU B 7 13.138 5.859 -3.519 1.00 0.45 N ATOM 2211 CA LEU B 7 13.055 4.583 -4.220 1.00 0.46 C ATOM 2212 C LEU B 7 11.601 4.189 -4.496 1.00 0.44 C ATOM 2213 O LEU B 7 10.712 4.447 -3.682 1.00 0.47 O ATOM 2214 CB LEU B 7 13.739 3.497 -3.386 1.00 0.56 C ATOM 2215 CG LEU B 7 13.953 2.158 -4.094 1.00 0.60 C ATOM 2216 CD1 LEU B 7 14.982 2.303 -5.204 1.00 0.66 C ATOM 2217 CD2 LEU B 7 14.387 1.099 -3.095 1.00 0.72 C ATOM 0 H LEU B 7 12.414 5.998 -2.814 1.00 0.45 H new ATOM 0 HA LEU B 7 13.561 4.687 -5.180 1.00 0.46 H new ATOM 0 HB2 LEU B 7 14.708 3.873 -3.057 1.00 0.56 H new ATOM 0 HB3 LEU B 7 13.143 3.323 -2.490 1.00 0.56 H new ATOM 0 HG LEU B 7 13.010 1.844 -4.542 1.00 0.60 H new ATOM 0 HD11 LEU B 7 15.123 1.341 -5.698 1.00 0.66 H new ATOM 0 HD12 LEU B 7 14.632 3.036 -5.931 1.00 0.66 H new ATOM 0 HD13 LEU B 7 15.930 2.635 -4.780 1.00 0.66 H new ATOM 0 HD21 LEU B 7 14.536 0.151 -3.612 1.00 0.72 H new ATOM 0 HD22 LEU B 7 15.320 1.405 -2.622 1.00 0.72 H new ATOM 0 HD23 LEU B 7 13.617 0.980 -2.333 1.00 0.72 H new ATOM 2229 N TYR B 8 11.371 3.581 -5.657 1.00 0.46 N ATOM 2230 CA TYR B 8 10.043 3.119 -6.061 1.00 0.51 C ATOM 2231 C TYR B 8 10.181 2.090 -7.184 1.00 0.47 C ATOM 2232 O TYR B 8 11.276 1.895 -7.697 1.00 0.50 O ATOM 2233 CB TYR B 8 9.163 4.298 -6.508 1.00 0.62 C ATOM 2234 CG TYR B 8 9.517 4.870 -7.868 1.00 0.62 C ATOM 2235 CD1 TYR B 8 10.740 5.492 -8.090 1.00 0.92 C ATOM 2236 CD2 TYR B 8 8.620 4.793 -8.926 1.00 0.79 C ATOM 2237 CE1 TYR B 8 11.056 6.021 -9.328 1.00 1.22 C ATOM 2238 CE2 TYR B 8 8.930 5.318 -10.168 1.00 1.10 C ATOM 2239 CZ TYR B 8 10.150 5.932 -10.364 1.00 1.26 C ATOM 2240 OH TYR B 8 10.462 6.465 -11.598 1.00 1.67 O ATOM 0 H TYR B 8 12.100 3.394 -6.346 1.00 0.46 H new ATOM 0 HA TYR B 8 9.557 2.651 -5.205 1.00 0.51 H new ATOM 0 HB2 TYR B 8 8.123 3.972 -6.525 1.00 0.62 H new ATOM 0 HB3 TYR B 8 9.236 5.092 -5.764 1.00 0.62 H new ATOM 0 HD1 TYR B 8 11.454 5.563 -7.283 1.00 0.92 H new ATOM 0 HD2 TYR B 8 7.663 4.315 -8.776 1.00 0.79 H new ATOM 0 HE1 TYR B 8 12.010 6.503 -9.483 1.00 1.22 H new ATOM 0 HE2 TYR B 8 8.221 5.248 -10.980 1.00 1.10 H new ATOM 0 HH TYR B 8 9.716 6.317 -12.216 1.00 1.67 H new ATOM 2250 N CYS B 9 9.091 1.433 -7.565 1.00 0.54 N ATOM 2251 CA CYS B 9 9.149 0.431 -8.632 1.00 0.53 C ATOM 2252 C CYS B 9 7.858 0.408 -9.445 1.00 0.57 C ATOM 2253 O CYS B 9 6.843 0.974 -9.033 1.00 0.83 O ATOM 2254 CB CYS B 9 9.415 -0.958 -8.050 1.00 0.58 C ATOM 2255 SG CYS B 9 9.578 -2.257 -9.299 1.00 0.64 S ATOM 0 H CYS B 9 8.166 1.571 -7.159 1.00 0.54 H new ATOM 0 HA CYS B 9 9.969 0.707 -9.296 1.00 0.53 H new ATOM 0 HB2 CYS B 9 10.328 -0.923 -7.455 1.00 0.58 H new ATOM 0 HB3 CYS B 9 8.602 -1.219 -7.372 1.00 0.58 H new ATOM 0 HG CYS B 9 10.723 -2.138 -9.902 1.00 0.64 H new ATOM 2261 N SER B 10 7.904 -0.250 -10.604 1.00 0.52 N ATOM 2262 CA SER B 10 6.747 -0.356 -11.479 1.00 0.56 C ATOM 2263 C SER B 10 6.485 0.989 -12.157 1.00 0.56 C ATOM 2264 O SER B 10 6.840 2.041 -11.618 1.00 0.81 O ATOM 2265 CB SER B 10 5.518 -0.818 -10.678 1.00 0.60 C ATOM 2266 OG SER B 10 4.459 -1.210 -11.531 1.00 1.05 O ATOM 0 H SER B 10 8.739 -0.719 -10.956 1.00 0.52 H new ATOM 0 HA SER B 10 6.946 -1.098 -12.252 1.00 0.56 H new ATOM 0 HB2 SER B 10 5.795 -1.652 -10.034 1.00 0.60 H new ATOM 0 HB3 SER B 10 5.182 -0.011 -10.027 1.00 0.60 H new ATOM 0 HG SER B 10 3.694 -1.500 -10.991 1.00 1.05 H new ATOM 2272 N ASN B 11 5.877 0.957 -13.336 1.00 0.66 N ATOM 2273 CA ASN B 11 5.577 2.183 -14.071 1.00 0.72 C ATOM 2274 C ASN B 11 4.554 3.019 -13.304 1.00 0.66 C ATOM 2275 O ASN B 11 3.816 2.493 -12.466 1.00 0.85 O ATOM 2276 CB ASN B 11 5.053 1.851 -15.473 1.00 0.93 C ATOM 2277 CG ASN B 11 5.211 3.003 -16.452 1.00 1.10 C ATOM 2278 OD1 ASN B 11 5.184 4.177 -16.072 1.00 1.37 O ATOM 2279 ND2 ASN B 11 5.389 2.676 -17.721 1.00 1.37 N ATOM 0 H ASN B 11 5.582 0.100 -13.804 1.00 0.66 H new ATOM 0 HA ASN B 11 6.495 2.762 -14.174 1.00 0.72 H new ATOM 0 HB2 ASN B 11 5.584 0.980 -15.857 1.00 0.93 H new ATOM 0 HB3 ASN B 11 4.000 1.579 -15.407 1.00 0.93 H new ATOM 0 HD21 ASN B 11 5.510 3.406 -18.424 1.00 1.37 H new ATOM 0 HD22 ASN B 11 5.406 1.694 -17.997 1.00 1.37 H new ATOM 2286 N GLY B 12 4.528 4.319 -13.569 1.00 0.70 N ATOM 2287 CA GLY B 12 3.596 5.199 -12.890 1.00 0.68 C ATOM 2288 C GLY B 12 4.176 5.786 -11.617 1.00 0.67 C ATOM 2289 O GLY B 12 4.939 5.119 -10.910 1.00 1.29 O ATOM 0 H GLY B 12 5.137 4.781 -14.244 1.00 0.70 H new ATOM 0 HA2 GLY B 12 3.309 6.008 -13.562 1.00 0.68 H new ATOM 0 HA3 GLY B 12 2.687 4.646 -12.651 1.00 0.68 H new ATOM 2293 N GLY B 13 3.814 7.028 -11.319 1.00 0.73 N ATOM 2294 CA GLY B 13 4.316 7.686 -10.127 1.00 0.71 C ATOM 2295 C GLY B 13 3.800 7.052 -8.847 1.00 0.68 C ATOM 2296 O GLY B 13 2.668 6.573 -8.805 1.00 0.93 O ATOM 0 H GLY B 13 3.180 7.593 -11.883 1.00 0.73 H new ATOM 0 HA2 GLY B 13 5.406 7.653 -10.130 1.00 0.71 H new ATOM 0 HA3 GLY B 13 4.028 8.737 -10.149 1.00 0.71 H new ATOM 2300 N HIS B 14 4.637 7.057 -7.808 1.00 0.55 N ATOM 2301 CA HIS B 14 4.292 6.492 -6.496 1.00 0.51 C ATOM 2302 C HIS B 14 5.570 6.216 -5.702 1.00 0.46 C ATOM 2303 O HIS B 14 6.176 5.155 -5.847 1.00 0.63 O ATOM 2304 CB HIS B 14 3.490 5.189 -6.633 1.00 0.54 C ATOM 2305 CG HIS B 14 2.027 5.310 -6.312 1.00 0.68 C ATOM 2306 ND1 HIS B 14 1.305 4.300 -5.706 1.00 0.83 N ATOM 2307 CD2 HIS B 14 1.144 6.317 -6.526 1.00 1.16 C ATOM 2308 CE1 HIS B 14 0.049 4.681 -5.565 1.00 0.96 C ATOM 2309 NE2 HIS B 14 -0.075 5.900 -6.053 1.00 1.19 N ATOM 0 H HIS B 14 5.576 7.453 -7.850 1.00 0.55 H new ATOM 0 HA HIS B 14 3.672 7.220 -5.973 1.00 0.51 H new ATOM 0 HB2 HIS B 14 3.594 4.821 -7.654 1.00 0.54 H new ATOM 0 HB3 HIS B 14 3.930 4.438 -5.977 1.00 0.54 H new ATOM 0 HD1 HIS B 14 1.684 3.399 -5.413 1.00 0.83 H new ATOM 0 HD2 HIS B 14 1.360 7.271 -6.984 1.00 1.16 H new ATOM 0 HE1 HIS B 14 -0.743 4.094 -5.124 1.00 0.96 H new ATOM 2318 N PHE B 15 5.983 7.179 -4.887 1.00 0.41 N ATOM 2319 CA PHE B 15 7.193 7.039 -4.080 1.00 0.39 C ATOM 2320 C PHE B 15 6.850 6.494 -2.696 1.00 0.36 C ATOM 2321 O PHE B 15 5.790 6.802 -2.147 1.00 0.39 O ATOM 2322 CB PHE B 15 7.903 8.391 -3.944 1.00 0.41 C ATOM 2323 CG PHE B 15 7.902 9.213 -5.205 1.00 0.45 C ATOM 2324 CD1 PHE B 15 8.444 8.715 -6.381 1.00 0.51 C ATOM 2325 CD2 PHE B 15 7.358 10.486 -5.211 1.00 0.52 C ATOM 2326 CE1 PHE B 15 8.440 9.473 -7.537 1.00 0.58 C ATOM 2327 CE2 PHE B 15 7.353 11.248 -6.362 1.00 0.59 C ATOM 2328 CZ PHE B 15 7.894 10.740 -7.527 1.00 0.60 C ATOM 0 H PHE B 15 5.498 8.068 -4.766 1.00 0.41 H new ATOM 0 HA PHE B 15 7.860 6.337 -4.581 1.00 0.39 H new ATOM 0 HB2 PHE B 15 7.424 8.963 -3.149 1.00 0.41 H new ATOM 0 HB3 PHE B 15 8.934 8.219 -3.636 1.00 0.41 H new ATOM 0 HD1 PHE B 15 8.874 7.724 -6.393 1.00 0.51 H new ATOM 0 HD2 PHE B 15 6.932 10.888 -4.304 1.00 0.52 H new ATOM 0 HE1 PHE B 15 8.864 9.074 -8.447 1.00 0.58 H new ATOM 0 HE2 PHE B 15 6.927 12.240 -6.352 1.00 0.59 H new ATOM 0 HZ PHE B 15 7.890 11.334 -8.429 1.00 0.60 H new ATOM 2338 N LEU B 16 7.745 5.684 -2.143 1.00 0.35 N ATOM 2339 CA LEU B 16 7.540 5.094 -0.825 1.00 0.35 C ATOM 2340 C LEU B 16 7.527 6.174 0.261 1.00 0.33 C ATOM 2341 O LEU B 16 8.567 6.748 0.588 1.00 0.37 O ATOM 2342 CB LEU B 16 8.635 4.058 -0.536 1.00 0.40 C ATOM 2343 CG LEU B 16 8.131 2.651 -0.196 1.00 0.53 C ATOM 2344 CD1 LEU B 16 7.398 2.043 -1.382 1.00 0.76 C ATOM 2345 CD2 LEU B 16 9.287 1.759 0.235 1.00 0.62 C ATOM 0 H LEU B 16 8.623 5.420 -2.589 1.00 0.35 H new ATOM 0 HA LEU B 16 6.571 4.596 -0.818 1.00 0.35 H new ATOM 0 HB2 LEU B 16 9.288 3.992 -1.406 1.00 0.40 H new ATOM 0 HB3 LEU B 16 9.244 4.418 0.293 1.00 0.40 H new ATOM 0 HG LEU B 16 7.430 2.729 0.635 1.00 0.53 H new ATOM 0 HD11 LEU B 16 7.048 1.044 -1.120 1.00 0.76 H new ATOM 0 HD12 LEU B 16 6.545 2.670 -1.643 1.00 0.76 H new ATOM 0 HD13 LEU B 16 8.075 1.979 -2.234 1.00 0.76 H new ATOM 0 HD21 LEU B 16 8.910 0.764 0.472 1.00 0.62 H new ATOM 0 HD22 LEU B 16 10.013 1.688 -0.575 1.00 0.62 H new ATOM 0 HD23 LEU B 16 9.766 2.185 1.116 1.00 0.62 H new ATOM 2357 N ARG B 17 6.346 6.452 0.807 1.00 0.33 N ATOM 2358 CA ARG B 17 6.203 7.460 1.856 1.00 0.34 C ATOM 2359 C ARG B 17 6.279 6.796 3.229 1.00 0.34 C ATOM 2360 O ARG B 17 5.484 5.911 3.544 1.00 0.41 O ATOM 2361 CB ARG B 17 4.883 8.229 1.703 1.00 0.42 C ATOM 2362 CG ARG B 17 4.876 9.569 2.427 1.00 0.56 C ATOM 2363 CD ARG B 17 3.729 10.459 1.966 1.00 0.62 C ATOM 2364 NE ARG B 17 2.615 10.456 2.917 1.00 0.83 N ATOM 2365 CZ ARG B 17 1.449 9.824 2.722 1.00 0.99 C ATOM 2366 NH1 ARG B 17 1.203 9.177 1.587 1.00 0.93 N ATOM 2367 NH2 ARG B 17 0.515 9.849 3.664 1.00 1.49 N ATOM 0 H ARG B 17 5.474 5.994 0.541 1.00 0.33 H new ATOM 0 HA ARG B 17 7.020 8.175 1.762 1.00 0.34 H new ATOM 0 HB2 ARG B 17 4.689 8.396 0.643 1.00 0.42 H new ATOM 0 HB3 ARG B 17 4.067 7.615 2.083 1.00 0.42 H new ATOM 0 HG2 ARG B 17 4.796 9.401 3.501 1.00 0.56 H new ATOM 0 HG3 ARG B 17 5.823 10.080 2.254 1.00 0.56 H new ATOM 0 HD2 ARG B 17 4.091 11.479 1.836 1.00 0.62 H new ATOM 0 HD3 ARG B 17 3.375 10.119 0.993 1.00 0.62 H new ATOM 0 HE ARG B 17 2.735 10.971 3.789 1.00 0.83 H new ATOM 0 HH11 ARG B 17 1.907 9.156 0.849 1.00 0.93 H new ATOM 0 HH12 ARG B 17 0.311 8.701 1.454 1.00 0.93 H new ATOM 0 HH21 ARG B 17 0.684 10.349 4.537 1.00 1.49 H new ATOM 0 HH22 ARG B 17 -0.372 9.368 3.515 1.00 1.49 H new ATOM 2381 N ILE B 18 7.230 7.241 4.045 1.00 0.35 N ATOM 2382 CA ILE B 18 7.440 6.665 5.370 1.00 0.39 C ATOM 2383 C ILE B 18 6.920 7.571 6.483 1.00 0.39 C ATOM 2384 O ILE B 18 7.042 8.803 6.421 1.00 0.44 O ATOM 2385 CB ILE B 18 8.931 6.352 5.631 1.00 0.46 C ATOM 2386 CG1 ILE B 18 9.820 7.564 5.298 1.00 0.54 C ATOM 2387 CG2 ILE B 18 9.360 5.122 4.838 1.00 0.55 C ATOM 2388 CD1 ILE B 18 10.375 7.564 3.888 1.00 0.91 C ATOM 0 H ILE B 18 7.869 8.001 3.811 1.00 0.35 H new ATOM 0 HA ILE B 18 6.872 5.735 5.381 1.00 0.39 H new ATOM 0 HB ILE B 18 9.055 6.137 6.692 1.00 0.46 H new ATOM 0 HG12 ILE B 18 9.242 8.476 5.448 1.00 0.54 H new ATOM 0 HG13 ILE B 18 10.651 7.594 6.003 1.00 0.54 H new ATOM 0 HG21 ILE B 18 10.412 4.913 5.031 1.00 0.55 H new ATOM 0 HG22 ILE B 18 8.758 4.265 5.142 1.00 0.55 H new ATOM 0 HG23 ILE B 18 9.217 5.307 3.773 1.00 0.55 H new ATOM 0 HD11 ILE B 18 10.989 8.452 3.739 1.00 0.91 H new ATOM 0 HD12 ILE B 18 10.983 6.672 3.736 1.00 0.91 H new ATOM 0 HD13 ILE B 18 9.552 7.568 3.173 1.00 0.91 H new ATOM 2400 N LEU B 19 6.334 6.943 7.498 1.00 0.39 N ATOM 2401 CA LEU B 19 5.791 7.646 8.650 1.00 0.41 C ATOM 2402 C LEU B 19 6.057 6.830 9.916 1.00 0.43 C ATOM 2403 O LEU B 19 5.982 5.599 9.877 1.00 0.45 O ATOM 2404 CB LEU B 19 4.281 7.877 8.486 1.00 0.43 C ATOM 2405 CG LEU B 19 3.863 8.661 7.235 1.00 0.50 C ATOM 2406 CD1 LEU B 19 3.730 7.732 6.038 1.00 0.63 C ATOM 2407 CD2 LEU B 19 2.560 9.404 7.483 1.00 0.59 C ATOM 0 H LEU B 19 6.223 5.930 7.542 1.00 0.39 H new ATOM 0 HA LEU B 19 6.279 8.617 8.730 1.00 0.41 H new ATOM 0 HB2 LEU B 19 3.783 6.908 8.469 1.00 0.43 H new ATOM 0 HB3 LEU B 19 3.915 8.408 9.365 1.00 0.43 H new ATOM 0 HG LEU B 19 4.640 9.393 7.014 1.00 0.50 H new ATOM 0 HD11 LEU B 19 3.433 8.308 5.162 1.00 0.63 H new ATOM 0 HD12 LEU B 19 4.687 7.247 5.846 1.00 0.63 H new ATOM 0 HD13 LEU B 19 2.975 6.975 6.247 1.00 0.63 H new ATOM 0 HD21 LEU B 19 2.279 9.955 6.585 1.00 0.59 H new ATOM 0 HD22 LEU B 19 1.775 8.689 7.731 1.00 0.59 H new ATOM 0 HD23 LEU B 19 2.691 10.101 8.310 1.00 0.59 H new ATOM 2419 N PRO B 20 6.366 7.501 11.046 1.00 0.50 N ATOM 2420 CA PRO B 20 6.654 6.841 12.327 1.00 0.56 C ATOM 2421 C PRO B 20 5.806 5.593 12.574 1.00 0.52 C ATOM 2422 O PRO B 20 6.322 4.561 13.014 1.00 0.57 O ATOM 2423 CB PRO B 20 6.309 7.929 13.337 1.00 0.69 C ATOM 2424 CG PRO B 20 6.659 9.205 12.648 1.00 0.76 C ATOM 2425 CD PRO B 20 6.463 8.970 11.167 1.00 0.61 C ATOM 0 HA PRO B 20 7.680 6.477 12.377 1.00 0.56 H new ATOM 0 HB2 PRO B 20 5.253 7.900 13.606 1.00 0.69 H new ATOM 0 HB3 PRO B 20 6.876 7.808 14.260 1.00 0.69 H new ATOM 0 HG2 PRO B 20 6.025 10.020 12.997 1.00 0.76 H new ATOM 0 HG3 PRO B 20 7.689 9.489 12.861 1.00 0.76 H new ATOM 0 HD2 PRO B 20 5.561 9.461 10.801 1.00 0.61 H new ATOM 0 HD3 PRO B 20 7.298 9.364 10.587 1.00 0.61 H new ATOM 2433 N ASP B 21 4.509 5.700 12.293 1.00 0.51 N ATOM 2434 CA ASP B 21 3.580 4.584 12.473 1.00 0.58 C ATOM 2435 C ASP B 21 4.144 3.292 11.880 1.00 0.61 C ATOM 2436 O ASP B 21 4.149 2.249 12.535 1.00 0.75 O ATOM 2437 CB ASP B 21 2.234 4.911 11.824 1.00 0.60 C ATOM 2438 CG ASP B 21 1.383 3.680 11.569 1.00 1.43 C ATOM 2439 OD1 ASP B 21 1.513 3.075 10.482 1.00 2.04 O ATOM 2440 OD2 ASP B 21 0.573 3.320 12.450 1.00 2.05 O ATOM 0 H ASP B 21 4.075 6.552 11.938 1.00 0.51 H new ATOM 0 HA ASP B 21 3.438 4.433 13.543 1.00 0.58 H new ATOM 0 HB2 ASP B 21 1.685 5.599 12.467 1.00 0.60 H new ATOM 0 HB3 ASP B 21 2.408 5.427 10.880 1.00 0.60 H new ATOM 2445 N GLY B 22 4.619 3.368 10.643 1.00 0.57 N ATOM 2446 CA GLY B 22 5.179 2.201 9.987 1.00 0.67 C ATOM 2447 C GLY B 22 4.530 1.886 8.653 1.00 0.66 C ATOM 2448 O GLY B 22 5.199 1.395 7.740 1.00 1.04 O ATOM 0 H GLY B 22 4.627 4.219 10.081 1.00 0.57 H new ATOM 0 HA2 GLY B 22 6.247 2.357 9.834 1.00 0.67 H new ATOM 0 HA3 GLY B 22 5.074 1.339 10.646 1.00 0.67 H new ATOM 2452 N THR B 23 3.232 2.158 8.528 1.00 0.67 N ATOM 2453 CA THR B 23 2.523 1.885 7.283 1.00 0.71 C ATOM 2454 C THR B 23 3.030 2.796 6.162 1.00 0.69 C ATOM 2455 O THR B 23 2.569 3.928 6.010 1.00 1.14 O ATOM 2456 CB THR B 23 0.994 2.055 7.433 1.00 0.83 C ATOM 2457 OG1 THR B 23 0.549 1.521 8.693 1.00 0.93 O ATOM 2458 CG2 THR B 23 0.266 1.349 6.298 1.00 1.00 C ATOM 0 H THR B 23 2.656 2.563 9.266 1.00 0.67 H new ATOM 0 HA THR B 23 2.723 0.844 7.028 1.00 0.71 H new ATOM 0 HB THR B 23 0.767 3.120 7.396 1.00 0.83 H new ATOM 0 HG1 THR B 23 0.635 2.207 9.388 1.00 0.93 H new ATOM 0 HG21 THR B 23 -0.809 1.479 6.419 1.00 1.00 H new ATOM 0 HG22 THR B 23 0.578 1.776 5.345 1.00 1.00 H new ATOM 0 HG23 THR B 23 0.508 0.286 6.316 1.00 1.00 H new ATOM 2466 N VAL B 24 4.007 2.297 5.412 1.00 0.48 N ATOM 2467 CA VAL B 24 4.592 3.031 4.295 1.00 0.44 C ATOM 2468 C VAL B 24 3.809 2.749 3.012 1.00 0.42 C ATOM 2469 O VAL B 24 3.522 1.585 2.701 1.00 0.48 O ATOM 2470 CB VAL B 24 6.089 2.657 4.100 1.00 0.46 C ATOM 2471 CG1 VAL B 24 6.269 1.155 3.946 1.00 0.56 C ATOM 2472 CG2 VAL B 24 6.692 3.384 2.909 1.00 0.52 C ATOM 0 H VAL B 24 4.415 1.374 5.561 1.00 0.48 H new ATOM 0 HA VAL B 24 4.535 4.095 4.523 1.00 0.44 H new ATOM 0 HB VAL B 24 6.618 2.975 4.998 1.00 0.46 H new ATOM 0 HG11 VAL B 24 7.326 0.927 3.811 1.00 0.56 H new ATOM 0 HG12 VAL B 24 5.900 0.651 4.839 1.00 0.56 H new ATOM 0 HG13 VAL B 24 5.710 0.809 3.077 1.00 0.56 H new ATOM 0 HG21 VAL B 24 7.739 3.100 2.801 1.00 0.52 H new ATOM 0 HG22 VAL B 24 6.148 3.114 2.004 1.00 0.52 H new ATOM 0 HG23 VAL B 24 6.623 4.460 3.066 1.00 0.52 H new ATOM 2482 N ASP B 25 3.457 3.803 2.278 1.00 0.42 N ATOM 2483 CA ASP B 25 2.697 3.658 1.033 1.00 0.47 C ATOM 2484 C ASP B 25 3.425 4.307 -0.136 1.00 0.39 C ATOM 2485 O ASP B 25 4.484 4.918 0.033 1.00 0.42 O ATOM 2486 CB ASP B 25 1.293 4.267 1.170 1.00 0.59 C ATOM 2487 CG ASP B 25 1.282 5.790 1.131 1.00 0.60 C ATOM 2488 OD1 ASP B 25 1.451 6.374 0.032 1.00 0.60 O ATOM 2489 OD2 ASP B 25 1.082 6.410 2.198 1.00 0.70 O ATOM 0 H ASP B 25 3.685 4.767 2.522 1.00 0.42 H new ATOM 0 HA ASP B 25 2.601 2.590 0.835 1.00 0.47 H new ATOM 0 HB2 ASP B 25 0.661 3.887 0.367 1.00 0.59 H new ATOM 0 HB3 ASP B 25 0.851 3.933 2.109 1.00 0.59 H new ATOM 2494 N GLY B 26 2.849 4.163 -1.325 1.00 0.45 N ATOM 2495 CA GLY B 26 3.434 4.734 -2.517 1.00 0.41 C ATOM 2496 C GLY B 26 2.744 6.019 -2.927 1.00 0.38 C ATOM 2497 O GLY B 26 1.705 5.993 -3.585 1.00 0.59 O ATOM 0 H GLY B 26 1.978 3.655 -1.481 1.00 0.45 H new ATOM 0 HA2 GLY B 26 4.492 4.930 -2.344 1.00 0.41 H new ATOM 0 HA3 GLY B 26 3.373 4.013 -3.332 1.00 0.41 H new ATOM 2501 N THR B 27 3.327 7.144 -2.555 1.00 0.47 N ATOM 2502 CA THR B 27 2.765 8.446 -2.872 1.00 0.48 C ATOM 2503 C THR B 27 3.442 9.039 -4.107 1.00 0.44 C ATOM 2504 O THR B 27 4.659 9.217 -4.127 1.00 0.53 O ATOM 2505 CB THR B 27 2.920 9.412 -1.678 1.00 0.61 C ATOM 2506 OG1 THR B 27 2.384 8.823 -0.479 1.00 0.94 O ATOM 2507 CG2 THR B 27 2.217 10.735 -1.952 1.00 0.55 C ATOM 0 H THR B 27 4.199 7.182 -2.027 1.00 0.47 H new ATOM 0 HA THR B 27 1.704 8.312 -3.081 1.00 0.48 H new ATOM 0 HB THR B 27 3.985 9.602 -1.541 1.00 0.61 H new ATOM 0 HG1 THR B 27 2.018 7.938 -0.685 1.00 0.94 H new ATOM 0 HG21 THR B 27 2.341 11.397 -1.095 1.00 0.55 H new ATOM 0 HG22 THR B 27 2.650 11.201 -2.837 1.00 0.55 H new ATOM 0 HG23 THR B 27 1.155 10.555 -2.120 1.00 0.55 H new ATOM 2515 N ARG B 28 2.667 9.336 -5.146 1.00 0.47 N ATOM 2516 CA ARG B 28 3.234 9.907 -6.369 1.00 0.57 C ATOM 2517 C ARG B 28 3.387 11.421 -6.234 1.00 0.58 C ATOM 2518 O ARG B 28 2.950 12.189 -7.097 1.00 0.74 O ATOM 2519 CB ARG B 28 2.388 9.552 -7.597 1.00 0.73 C ATOM 2520 CG ARG B 28 0.957 10.059 -7.547 1.00 0.96 C ATOM 2521 CD ARG B 28 0.562 10.728 -8.853 1.00 1.02 C ATOM 2522 NE ARG B 28 1.203 12.032 -9.014 1.00 1.15 N ATOM 2523 CZ ARG B 28 1.178 12.744 -10.144 1.00 1.49 C ATOM 2524 NH1 ARG B 28 0.545 12.277 -11.219 1.00 1.79 N ATOM 2525 NH2 ARG B 28 1.785 13.928 -10.194 1.00 1.85 N ATOM 0 H ARG B 28 1.657 9.194 -5.169 1.00 0.47 H new ATOM 0 HA ARG B 28 4.223 9.472 -6.514 1.00 0.57 H new ATOM 0 HB2 ARG B 28 2.872 9.958 -8.485 1.00 0.73 H new ATOM 0 HB3 ARG B 28 2.372 8.468 -7.710 1.00 0.73 H new ATOM 0 HG2 ARG B 28 0.282 9.228 -7.343 1.00 0.96 H new ATOM 0 HG3 ARG B 28 0.848 10.767 -6.726 1.00 0.96 H new ATOM 0 HD2 ARG B 28 0.836 10.083 -9.688 1.00 1.02 H new ATOM 0 HD3 ARG B 28 -0.521 10.849 -8.886 1.00 1.02 H new ATOM 0 HE ARG B 28 1.700 12.422 -8.214 1.00 1.15 H new ATOM 0 HH11 ARG B 28 0.076 11.372 -11.182 1.00 1.79 H new ATOM 0 HH12 ARG B 28 0.529 12.825 -12.079 1.00 1.79 H new ATOM 0 HH21 ARG B 28 2.267 14.289 -9.371 1.00 1.85 H new ATOM 0 HH22 ARG B 28 1.768 14.474 -11.055 1.00 1.85 H new ATOM 2539 N ASP B 29 4.023 11.836 -5.147 1.00 0.57 N ATOM 2540 CA ASP B 29 4.255 13.243 -4.860 1.00 0.70 C ATOM 2541 C ASP B 29 5.354 13.371 -3.817 1.00 0.57 C ATOM 2542 O ASP B 29 5.502 12.497 -2.961 1.00 0.69 O ATOM 2543 CB ASP B 29 2.976 13.922 -4.357 1.00 0.95 C ATOM 2544 CG ASP B 29 3.257 15.258 -3.695 1.00 1.11 C ATOM 2545 OD1 ASP B 29 3.445 16.260 -4.419 1.00 1.24 O ATOM 2546 OD2 ASP B 29 3.321 15.311 -2.451 1.00 1.27 O ATOM 0 H ASP B 29 4.393 11.203 -4.438 1.00 0.57 H new ATOM 0 HA ASP B 29 4.561 13.739 -5.781 1.00 0.70 H new ATOM 0 HB2 ASP B 29 2.292 14.070 -5.193 1.00 0.95 H new ATOM 0 HB3 ASP B 29 2.474 13.265 -3.647 1.00 0.95 H new ATOM 2551 N ARG B 30 6.127 14.441 -3.897 1.00 0.54 N ATOM 2552 CA ARG B 30 7.209 14.665 -2.950 1.00 0.59 C ATOM 2553 C ARG B 30 7.109 16.054 -2.328 1.00 0.56 C ATOM 2554 O ARG B 30 8.114 16.635 -1.920 1.00 0.75 O ATOM 2555 CB ARG B 30 8.568 14.466 -3.634 1.00 0.82 C ATOM 2556 CG ARG B 30 8.776 15.331 -4.866 1.00 0.98 C ATOM 2557 CD ARG B 30 9.493 16.629 -4.528 1.00 1.19 C ATOM 2558 NE ARG B 30 9.618 17.506 -5.691 1.00 1.39 N ATOM 2559 CZ ARG B 30 10.447 18.550 -5.761 1.00 1.70 C ATOM 2560 NH1 ARG B 30 11.246 18.853 -4.738 1.00 2.03 N ATOM 2561 NH2 ARG B 30 10.471 19.296 -6.859 1.00 2.10 N ATOM 0 H ARG B 30 6.027 15.167 -4.606 1.00 0.54 H new ATOM 0 HA ARG B 30 7.120 13.934 -2.147 1.00 0.59 H new ATOM 0 HB2 ARG B 30 9.359 14.680 -2.915 1.00 0.82 H new ATOM 0 HB3 ARG B 30 8.670 13.418 -3.917 1.00 0.82 H new ATOM 0 HG2 ARG B 30 9.355 14.778 -5.606 1.00 0.98 H new ATOM 0 HG3 ARG B 30 7.811 15.556 -5.320 1.00 0.98 H new ATOM 0 HD2 ARG B 30 8.949 17.149 -3.739 1.00 1.19 H new ATOM 0 HD3 ARG B 30 10.485 16.404 -4.136 1.00 1.19 H new ATOM 0 HE ARG B 30 9.033 17.307 -6.503 1.00 1.39 H new ATOM 0 HH11 ARG B 30 11.228 18.285 -3.891 1.00 2.03 H new ATOM 0 HH12 ARG B 30 11.876 19.653 -4.802 1.00 2.03 H new ATOM 0 HH21 ARG B 30 9.858 19.070 -7.643 1.00 2.10 H new ATOM 0 HH22 ARG B 30 11.102 20.095 -6.919 1.00 2.10 H new ATOM 2575 N SER B 31 5.887 16.581 -2.241 1.00 0.46 N ATOM 2576 CA SER B 31 5.668 17.894 -1.652 1.00 0.47 C ATOM 2577 C SER B 31 6.142 17.884 -0.203 1.00 0.51 C ATOM 2578 O SER B 31 6.738 18.849 0.278 1.00 0.66 O ATOM 2579 CB SER B 31 4.189 18.279 -1.732 1.00 0.54 C ATOM 2580 OG SER B 31 3.786 18.500 -3.079 1.00 0.79 O ATOM 0 H SER B 31 5.040 16.118 -2.570 1.00 0.46 H new ATOM 0 HA SER B 31 6.239 18.636 -2.210 1.00 0.47 H new ATOM 0 HB2 SER B 31 3.581 17.488 -1.293 1.00 0.54 H new ATOM 0 HB3 SER B 31 4.013 19.180 -1.145 1.00 0.54 H new ATOM 0 HG SER B 31 3.875 17.667 -3.588 1.00 0.79 H new ATOM 2586 N ASP B 32 5.870 16.779 0.485 1.00 0.58 N ATOM 2587 CA ASP B 32 6.294 16.604 1.865 1.00 0.79 C ATOM 2588 C ASP B 32 7.454 15.621 1.908 1.00 0.64 C ATOM 2589 O ASP B 32 7.347 14.503 1.392 1.00 0.64 O ATOM 2590 CB ASP B 32 5.139 16.101 2.736 1.00 1.09 C ATOM 2591 CG ASP B 32 5.571 15.798 4.162 1.00 1.43 C ATOM 2592 OD1 ASP B 32 6.378 16.572 4.724 1.00 2.02 O ATOM 2593 OD2 ASP B 32 5.091 14.792 4.727 1.00 1.72 O ATOM 0 H ASP B 32 5.353 15.987 0.103 1.00 0.58 H new ATOM 0 HA ASP B 32 6.613 17.568 2.262 1.00 0.79 H new ATOM 0 HB2 ASP B 32 4.348 16.850 2.752 1.00 1.09 H new ATOM 0 HB3 ASP B 32 4.717 15.201 2.289 1.00 1.09 H new ATOM 2598 N GLN B 33 8.561 16.034 2.509 1.00 0.63 N ATOM 2599 CA GLN B 33 9.748 15.194 2.589 1.00 0.58 C ATOM 2600 C GLN B 33 9.522 13.987 3.496 1.00 0.50 C ATOM 2601 O GLN B 33 10.078 13.901 4.590 1.00 0.63 O ATOM 2602 CB GLN B 33 10.954 16.003 3.072 1.00 0.74 C ATOM 2603 CG GLN B 33 11.382 17.099 2.108 1.00 0.90 C ATOM 2604 CD GLN B 33 12.810 17.556 2.342 1.00 1.15 C ATOM 2605 OE1 GLN B 33 13.750 17.028 1.742 1.00 1.51 O ATOM 2606 NE2 GLN B 33 12.989 18.534 3.220 1.00 1.48 N ATOM 0 H GLN B 33 8.662 16.948 2.950 1.00 0.63 H new ATOM 0 HA GLN B 33 9.954 14.824 1.585 1.00 0.58 H new ATOM 0 HB2 GLN B 33 10.716 16.452 4.036 1.00 0.74 H new ATOM 0 HB3 GLN B 33 11.793 15.326 3.234 1.00 0.74 H new ATOM 0 HG2 GLN B 33 11.283 16.737 1.085 1.00 0.90 H new ATOM 0 HG3 GLN B 33 10.710 17.951 2.211 1.00 0.90 H new ATOM 0 HE21 GLN B 33 12.186 18.945 3.696 1.00 1.48 H new ATOM 0 HE22 GLN B 33 13.930 18.875 3.419 1.00 1.48 H new ATOM 2615 N HIS B 34 8.680 13.066 3.046 1.00 0.41 N ATOM 2616 CA HIS B 34 8.400 11.850 3.803 1.00 0.41 C ATOM 2617 C HIS B 34 8.545 10.606 2.924 1.00 0.39 C ATOM 2618 O HIS B 34 8.082 9.526 3.287 1.00 0.45 O ATOM 2619 CB HIS B 34 7.004 11.914 4.434 1.00 0.51 C ATOM 2620 CG HIS B 34 7.040 12.271 5.888 1.00 0.71 C ATOM 2621 ND1 HIS B 34 7.092 11.329 6.895 1.00 0.92 N ATOM 2622 CD2 HIS B 34 7.048 13.477 6.503 1.00 0.96 C ATOM 2623 CE1 HIS B 34 7.128 11.941 8.064 1.00 1.15 C ATOM 2624 NE2 HIS B 34 7.103 13.242 7.853 1.00 1.16 N ATOM 0 H HIS B 34 8.178 13.137 2.161 1.00 0.41 H new ATOM 0 HA HIS B 34 9.134 11.777 4.605 1.00 0.41 H new ATOM 0 HB2 HIS B 34 6.402 12.648 3.899 1.00 0.51 H new ATOM 0 HB3 HIS B 34 6.511 10.949 4.314 1.00 0.51 H new ATOM 0 HD1 HIS B 34 7.101 10.318 6.758 1.00 0.92 H new ATOM 0 HD2 HIS B 34 7.017 14.443 6.021 1.00 0.96 H new ATOM 0 HE1 HIS B 34 7.171 11.458 9.029 1.00 1.15 H new ATOM 2633 N ILE B 35 9.213 10.763 1.780 1.00 0.40 N ATOM 2634 CA ILE B 35 9.434 9.657 0.847 1.00 0.42 C ATOM 2635 C ILE B 35 10.930 9.505 0.567 1.00 0.47 C ATOM 2636 O ILE B 35 11.342 9.133 -0.533 1.00 0.57 O ATOM 2637 CB ILE B 35 8.677 9.863 -0.493 1.00 0.45 C ATOM 2638 CG1 ILE B 35 9.168 11.127 -1.220 1.00 0.51 C ATOM 2639 CG2 ILE B 35 7.175 9.926 -0.255 1.00 0.45 C ATOM 2640 CD1 ILE B 35 8.515 12.410 -0.747 1.00 0.57 C ATOM 0 H ILE B 35 9.612 11.651 1.476 1.00 0.40 H new ATOM 0 HA ILE B 35 9.045 8.753 1.315 1.00 0.42 H new ATOM 0 HB ILE B 35 8.888 9.007 -1.134 1.00 0.45 H new ATOM 0 HG12 ILE B 35 10.247 11.212 -1.089 1.00 0.51 H new ATOM 0 HG13 ILE B 35 8.985 11.012 -2.288 1.00 0.51 H new ATOM 0 HG21 ILE B 35 6.662 10.071 -1.206 1.00 0.45 H new ATOM 0 HG22 ILE B 35 6.839 8.994 0.200 1.00 0.45 H new ATOM 0 HG23 ILE B 35 6.947 10.758 0.411 1.00 0.45 H new ATOM 0 HD11 ILE B 35 8.917 13.252 -1.310 1.00 0.57 H new ATOM 0 HD12 ILE B 35 7.438 12.350 -0.904 1.00 0.57 H new ATOM 0 HD13 ILE B 35 8.719 12.553 0.314 1.00 0.57 H new ATOM 2652 N GLN B 36 11.736 9.790 1.583 1.00 0.47 N ATOM 2653 CA GLN B 36 13.183 9.715 1.467 1.00 0.54 C ATOM 2654 C GLN B 36 13.769 8.842 2.567 1.00 0.49 C ATOM 2655 O GLN B 36 13.392 8.962 3.735 1.00 0.57 O ATOM 2656 CB GLN B 36 13.795 11.120 1.538 1.00 0.68 C ATOM 2657 CG GLN B 36 13.025 12.077 2.440 1.00 0.81 C ATOM 2658 CD GLN B 36 13.710 13.419 2.604 1.00 1.21 C ATOM 2659 OE1 GLN B 36 14.487 13.625 3.534 1.00 1.49 O ATOM 2660 NE2 GLN B 36 13.432 14.341 1.695 1.00 1.54 N ATOM 0 H GLN B 36 11.405 10.078 2.504 1.00 0.47 H new ATOM 0 HA GLN B 36 13.423 9.268 0.502 1.00 0.54 H new ATOM 0 HB2 GLN B 36 14.821 11.042 1.897 1.00 0.68 H new ATOM 0 HB3 GLN B 36 13.840 11.539 0.533 1.00 0.68 H new ATOM 0 HG2 GLN B 36 12.028 12.233 2.028 1.00 0.81 H new ATOM 0 HG3 GLN B 36 12.897 11.619 3.421 1.00 0.81 H new ATOM 0 HE21 GLN B 36 12.781 14.131 0.938 1.00 1.54 H new ATOM 0 HE22 GLN B 36 13.868 15.261 1.752 1.00 1.54 H new ATOM 2669 N LEU B 37 14.675 7.957 2.182 1.00 0.43 N ATOM 2670 CA LEU B 37 15.337 7.067 3.124 1.00 0.43 C ATOM 2671 C LEU B 37 16.846 7.130 2.914 1.00 0.45 C ATOM 2672 O LEU B 37 17.310 7.593 1.868 1.00 0.51 O ATOM 2673 CB LEU B 37 14.821 5.630 2.965 1.00 0.42 C ATOM 2674 CG LEU B 37 14.711 5.118 1.523 1.00 0.45 C ATOM 2675 CD1 LEU B 37 16.052 4.601 1.025 1.00 0.69 C ATOM 2676 CD2 LEU B 37 13.647 4.037 1.424 1.00 0.71 C ATOM 0 H LEU B 37 14.971 7.835 1.214 1.00 0.43 H new ATOM 0 HA LEU B 37 15.110 7.391 4.140 1.00 0.43 H new ATOM 0 HB2 LEU B 37 15.482 4.963 3.518 1.00 0.42 H new ATOM 0 HB3 LEU B 37 13.838 5.563 3.431 1.00 0.42 H new ATOM 0 HG LEU B 37 14.416 5.952 0.886 1.00 0.45 H new ATOM 0 HD11 LEU B 37 15.947 4.244 0.001 1.00 0.69 H new ATOM 0 HD12 LEU B 37 16.786 5.406 1.055 1.00 0.69 H new ATOM 0 HD13 LEU B 37 16.386 3.782 1.662 1.00 0.69 H new ATOM 0 HD21 LEU B 37 13.581 3.684 0.395 1.00 0.71 H new ATOM 0 HD22 LEU B 37 13.912 3.205 2.077 1.00 0.71 H new ATOM 0 HD23 LEU B 37 12.684 4.445 1.730 1.00 0.71 H new ATOM 2688 N GLN B 38 17.613 6.673 3.891 1.00 0.46 N ATOM 2689 CA GLN B 38 19.063 6.707 3.779 1.00 0.49 C ATOM 2690 C GLN B 38 19.582 5.418 3.150 1.00 0.50 C ATOM 2691 O GLN B 38 20.166 4.570 3.824 1.00 0.62 O ATOM 2692 CB GLN B 38 19.717 6.949 5.144 1.00 0.54 C ATOM 2693 CG GLN B 38 21.001 7.766 5.063 1.00 0.61 C ATOM 2694 CD GLN B 38 21.864 7.378 3.873 1.00 0.64 C ATOM 2695 OE1 GLN B 38 21.699 7.911 2.771 1.00 0.65 O ATOM 2696 NE2 GLN B 38 22.788 6.453 4.076 1.00 0.79 N ATOM 0 H GLN B 38 17.261 6.278 4.763 1.00 0.46 H new ATOM 0 HA GLN B 38 19.332 7.539 3.129 1.00 0.49 H new ATOM 0 HB2 GLN B 38 19.008 7.464 5.792 1.00 0.54 H new ATOM 0 HB3 GLN B 38 19.935 5.988 5.610 1.00 0.54 H new ATOM 0 HG2 GLN B 38 20.751 8.825 4.996 1.00 0.61 H new ATOM 0 HG3 GLN B 38 21.572 7.631 5.981 1.00 0.61 H new ATOM 0 HE21 GLN B 38 22.896 6.034 5.000 1.00 0.79 H new ATOM 0 HE22 GLN B 38 23.392 6.159 3.309 1.00 0.79 H new ATOM 2705 N LEU B 39 19.334 5.269 1.856 1.00 0.50 N ATOM 2706 CA LEU B 39 19.785 4.098 1.119 1.00 0.53 C ATOM 2707 C LEU B 39 21.304 4.120 0.951 1.00 0.56 C ATOM 2708 O LEU B 39 21.854 5.028 0.318 1.00 0.61 O ATOM 2709 CB LEU B 39 19.106 4.039 -0.252 1.00 0.57 C ATOM 2710 CG LEU B 39 19.593 2.923 -1.178 1.00 0.63 C ATOM 2711 CD1 LEU B 39 19.226 1.558 -0.618 1.00 0.69 C ATOM 2712 CD2 LEU B 39 19.016 3.105 -2.573 1.00 0.76 C ATOM 0 H LEU B 39 18.821 5.948 1.294 1.00 0.50 H new ATOM 0 HA LEU B 39 19.511 3.209 1.687 1.00 0.53 H new ATOM 0 HB2 LEU B 39 18.033 3.921 -0.102 1.00 0.57 H new ATOM 0 HB3 LEU B 39 19.255 4.995 -0.754 1.00 0.57 H new ATOM 0 HG LEU B 39 20.680 2.979 -1.243 1.00 0.63 H new ATOM 0 HD11 LEU B 39 19.582 0.780 -1.293 1.00 0.69 H new ATOM 0 HD12 LEU B 39 19.689 1.430 0.360 1.00 0.69 H new ATOM 0 HD13 LEU B 39 18.143 1.484 -0.519 1.00 0.69 H new ATOM 0 HD21 LEU B 39 19.371 2.304 -3.221 1.00 0.76 H new ATOM 0 HD22 LEU B 39 17.928 3.076 -2.523 1.00 0.76 H new ATOM 0 HD23 LEU B 39 19.335 4.066 -2.976 1.00 0.76 H new ATOM 2724 N SER B 40 21.972 3.137 1.540 1.00 0.56 N ATOM 2725 CA SER B 40 23.423 3.020 1.450 1.00 0.60 C ATOM 2726 C SER B 40 23.863 1.612 1.835 1.00 0.59 C ATOM 2727 O SER B 40 23.139 0.893 2.533 1.00 0.58 O ATOM 2728 CB SER B 40 24.106 4.052 2.357 1.00 0.66 C ATOM 2729 OG SER B 40 23.776 5.381 1.970 1.00 0.77 O ATOM 0 H SER B 40 21.528 2.402 2.090 1.00 0.56 H new ATOM 0 HA SER B 40 23.720 3.214 0.419 1.00 0.60 H new ATOM 0 HB2 SER B 40 23.804 3.887 3.391 1.00 0.66 H new ATOM 0 HB3 SER B 40 25.187 3.917 2.315 1.00 0.66 H new ATOM 0 HG SER B 40 23.314 5.365 1.106 1.00 0.77 H new ATOM 2735 N ALA B 41 25.039 1.216 1.362 1.00 0.62 N ATOM 2736 CA ALA B 41 25.581 -0.099 1.662 1.00 0.63 C ATOM 2737 C ALA B 41 26.326 -0.064 2.991 1.00 0.66 C ATOM 2738 O ALA B 41 27.216 0.770 3.187 1.00 0.80 O ATOM 2739 CB ALA B 41 26.499 -0.567 0.539 1.00 0.67 C ATOM 0 H ALA B 41 25.636 1.791 0.767 1.00 0.62 H new ATOM 0 HA ALA B 41 24.758 -0.810 1.743 1.00 0.63 H new ATOM 0 HB1 ALA B 41 26.896 -1.553 0.780 1.00 0.67 H new ATOM 0 HB2 ALA B 41 25.936 -0.621 -0.393 1.00 0.67 H new ATOM 0 HB3 ALA B 41 27.323 0.138 0.425 1.00 0.67 H new ATOM 2745 N GLU B 42 25.961 -0.958 3.899 1.00 0.64 N ATOM 2746 CA GLU B 42 26.594 -1.020 5.212 1.00 0.69 C ATOM 2747 C GLU B 42 27.615 -2.154 5.251 1.00 0.72 C ATOM 2748 O GLU B 42 28.767 -1.946 5.634 1.00 0.86 O ATOM 2749 CB GLU B 42 25.539 -1.204 6.311 1.00 0.73 C ATOM 2750 CG GLU B 42 24.425 -0.162 6.275 1.00 0.79 C ATOM 2751 CD GLU B 42 24.854 1.199 6.800 1.00 0.84 C ATOM 2752 OE1 GLU B 42 25.982 1.640 6.497 1.00 1.27 O ATOM 2753 OE2 GLU B 42 24.056 1.846 7.513 1.00 1.04 O ATOM 0 H GLU B 42 25.228 -1.652 3.752 1.00 0.64 H new ATOM 0 HA GLU B 42 27.113 -0.079 5.394 1.00 0.69 H new ATOM 0 HB2 GLU B 42 25.099 -2.197 6.217 1.00 0.73 H new ATOM 0 HB3 GLU B 42 26.030 -1.164 7.283 1.00 0.73 H new ATOM 0 HG2 GLU B 42 24.073 -0.053 5.249 1.00 0.79 H new ATOM 0 HG3 GLU B 42 23.582 -0.522 6.865 1.00 0.79 H new ATOM 2760 N SER B 43 27.193 -3.343 4.832 1.00 0.72 N ATOM 2761 CA SER B 43 28.072 -4.508 4.803 1.00 0.77 C ATOM 2762 C SER B 43 28.450 -4.852 3.361 1.00 0.73 C ATOM 2763 O SER B 43 27.968 -4.215 2.414 1.00 0.72 O ATOM 2764 CB SER B 43 27.396 -5.710 5.477 1.00 0.83 C ATOM 2765 OG SER B 43 26.111 -5.373 5.981 1.00 0.98 O ATOM 0 H SER B 43 26.244 -3.526 4.507 1.00 0.72 H new ATOM 0 HA SER B 43 28.981 -4.268 5.355 1.00 0.77 H new ATOM 0 HB2 SER B 43 27.304 -6.526 4.760 1.00 0.83 H new ATOM 0 HB3 SER B 43 28.024 -6.071 6.292 1.00 0.83 H new ATOM 0 HG SER B 43 25.581 -6.189 6.098 1.00 0.98 H new ATOM 2771 N VAL B 44 29.316 -5.848 3.193 1.00 0.77 N ATOM 2772 CA VAL B 44 29.750 -6.269 1.864 1.00 0.78 C ATOM 2773 C VAL B 44 28.545 -6.576 0.968 1.00 0.72 C ATOM 2774 O VAL B 44 27.893 -7.613 1.108 1.00 0.75 O ATOM 2775 CB VAL B 44 30.693 -7.497 1.931 1.00 0.87 C ATOM 2776 CG1 VAL B 44 30.060 -8.637 2.717 1.00 0.92 C ATOM 2777 CG2 VAL B 44 31.081 -7.953 0.529 1.00 0.91 C ATOM 0 H VAL B 44 29.731 -6.378 3.960 1.00 0.77 H new ATOM 0 HA VAL B 44 30.309 -5.440 1.430 1.00 0.78 H new ATOM 0 HB VAL B 44 31.599 -7.196 2.457 1.00 0.87 H new ATOM 0 HG11 VAL B 44 30.746 -9.484 2.746 1.00 0.92 H new ATOM 0 HG12 VAL B 44 29.850 -8.305 3.734 1.00 0.92 H new ATOM 0 HG13 VAL B 44 29.131 -8.939 2.235 1.00 0.92 H new ATOM 0 HG21 VAL B 44 31.743 -8.816 0.597 1.00 0.91 H new ATOM 0 HG22 VAL B 44 30.184 -8.227 -0.026 1.00 0.91 H new ATOM 0 HG23 VAL B 44 31.594 -7.142 0.012 1.00 0.91 H new ATOM 2787 N GLY B 45 28.242 -5.650 0.062 1.00 0.71 N ATOM 2788 CA GLY B 45 27.119 -5.825 -0.842 1.00 0.70 C ATOM 2789 C GLY B 45 25.782 -5.842 -0.118 1.00 0.67 C ATOM 2790 O GLY B 45 24.782 -6.308 -0.669 1.00 0.73 O ATOM 0 H GLY B 45 28.757 -4.778 -0.062 1.00 0.71 H new ATOM 0 HA2 GLY B 45 27.120 -5.020 -1.577 1.00 0.70 H new ATOM 0 HA3 GLY B 45 27.242 -6.758 -1.392 1.00 0.70 H new ATOM 2794 N GLU B 46 25.753 -5.323 1.107 1.00 0.66 N ATOM 2795 CA GLU B 46 24.530 -5.293 1.898 1.00 0.65 C ATOM 2796 C GLU B 46 24.081 -3.861 2.151 1.00 0.60 C ATOM 2797 O GLU B 46 24.851 -3.032 2.651 1.00 0.63 O ATOM 2798 CB GLU B 46 24.726 -6.010 3.231 1.00 0.71 C ATOM 2799 CG GLU B 46 24.958 -7.506 3.099 1.00 0.82 C ATOM 2800 CD GLU B 46 24.791 -8.244 4.415 1.00 0.92 C ATOM 2801 OE1 GLU B 46 24.968 -7.623 5.485 1.00 1.33 O ATOM 2802 OE2 GLU B 46 24.481 -9.454 4.384 1.00 1.14 O ATOM 0 H GLU B 46 26.565 -4.917 1.572 1.00 0.66 H new ATOM 0 HA GLU B 46 23.758 -5.810 1.328 1.00 0.65 H new ATOM 0 HB2 GLU B 46 25.575 -5.565 3.750 1.00 0.71 H new ATOM 0 HB3 GLU B 46 23.848 -5.842 3.855 1.00 0.71 H new ATOM 0 HG2 GLU B 46 24.261 -7.914 2.367 1.00 0.82 H new ATOM 0 HG3 GLU B 46 25.963 -7.681 2.714 1.00 0.82 H new ATOM 2809 N VAL B 47 22.834 -3.581 1.811 1.00 0.56 N ATOM 2810 CA VAL B 47 22.262 -2.260 1.998 1.00 0.55 C ATOM 2811 C VAL B 47 21.170 -2.305 3.061 1.00 0.53 C ATOM 2812 O VAL B 47 20.423 -3.285 3.157 1.00 0.56 O ATOM 2813 CB VAL B 47 21.681 -1.685 0.685 1.00 0.56 C ATOM 2814 CG1 VAL B 47 22.776 -1.513 -0.358 1.00 0.59 C ATOM 2815 CG2 VAL B 47 20.561 -2.569 0.148 1.00 0.59 C ATOM 0 H VAL B 47 22.193 -4.260 1.400 1.00 0.56 H new ATOM 0 HA VAL B 47 23.069 -1.603 2.322 1.00 0.55 H new ATOM 0 HB VAL B 47 21.259 -0.704 0.906 1.00 0.56 H new ATOM 0 HG11 VAL B 47 22.346 -1.107 -1.274 1.00 0.59 H new ATOM 0 HG12 VAL B 47 23.535 -0.828 0.021 1.00 0.59 H new ATOM 0 HG13 VAL B 47 23.233 -2.480 -0.569 1.00 0.59 H new ATOM 0 HG21 VAL B 47 20.171 -2.141 -0.775 1.00 0.59 H new ATOM 0 HG22 VAL B 47 20.949 -3.568 -0.051 1.00 0.59 H new ATOM 0 HG23 VAL B 47 19.761 -2.631 0.886 1.00 0.59 H new ATOM 2825 N TYR B 48 21.093 -1.253 3.861 1.00 0.52 N ATOM 2826 CA TYR B 48 20.100 -1.165 4.920 1.00 0.51 C ATOM 2827 C TYR B 48 19.103 -0.060 4.602 1.00 0.49 C ATOM 2828 O TYR B 48 19.485 1.102 4.443 1.00 0.53 O ATOM 2829 CB TYR B 48 20.774 -0.890 6.270 1.00 0.55 C ATOM 2830 CG TYR B 48 21.592 -2.048 6.808 1.00 0.65 C ATOM 2831 CD1 TYR B 48 22.548 -2.684 6.020 1.00 0.80 C ATOM 2832 CD2 TYR B 48 21.414 -2.498 8.109 1.00 0.84 C ATOM 2833 CE1 TYR B 48 23.295 -3.734 6.516 1.00 1.02 C ATOM 2834 CE2 TYR B 48 22.162 -3.544 8.611 1.00 1.06 C ATOM 2835 CZ TYR B 48 23.100 -4.160 7.809 1.00 1.11 C ATOM 2836 OH TYR B 48 23.854 -5.197 8.307 1.00 1.39 O ATOM 0 H TYR B 48 21.710 -0.444 3.796 1.00 0.52 H new ATOM 0 HA TYR B 48 19.574 -2.117 4.984 1.00 0.51 H new ATOM 0 HB2 TYR B 48 21.422 -0.019 6.168 1.00 0.55 H new ATOM 0 HB3 TYR B 48 20.007 -0.633 7.000 1.00 0.55 H new ATOM 0 HD1 TYR B 48 22.708 -2.351 5.005 1.00 0.80 H new ATOM 0 HD2 TYR B 48 20.678 -2.022 8.739 1.00 0.84 H new ATOM 0 HE1 TYR B 48 24.030 -4.219 5.891 1.00 1.02 H new ATOM 0 HE2 TYR B 48 22.013 -3.878 9.627 1.00 1.06 H new ATOM 0 HH TYR B 48 24.605 -5.375 7.703 1.00 1.39 H new ATOM 2846 N ILE B 49 17.834 -0.425 4.494 1.00 0.53 N ATOM 2847 CA ILE B 49 16.787 0.541 4.190 1.00 0.54 C ATOM 2848 C ILE B 49 16.265 1.169 5.477 1.00 0.53 C ATOM 2849 O ILE B 49 15.712 0.479 6.334 1.00 0.62 O ATOM 2850 CB ILE B 49 15.614 -0.099 3.411 1.00 0.58 C ATOM 2851 CG1 ILE B 49 16.111 -0.768 2.127 1.00 0.62 C ATOM 2852 CG2 ILE B 49 14.565 0.953 3.079 1.00 0.64 C ATOM 2853 CD1 ILE B 49 16.640 -2.171 2.334 1.00 0.73 C ATOM 0 H ILE B 49 17.504 -1.383 4.612 1.00 0.53 H new ATOM 0 HA ILE B 49 17.228 1.309 3.555 1.00 0.54 H new ATOM 0 HB ILE B 49 15.163 -0.863 4.044 1.00 0.58 H new ATOM 0 HG12 ILE B 49 15.294 -0.800 1.406 1.00 0.62 H new ATOM 0 HG13 ILE B 49 16.898 -0.154 1.690 1.00 0.62 H new ATOM 0 HG21 ILE B 49 13.745 0.489 2.531 1.00 0.64 H new ATOM 0 HG22 ILE B 49 14.183 1.390 4.002 1.00 0.64 H new ATOM 0 HG23 ILE B 49 15.015 1.735 2.466 1.00 0.64 H new ATOM 0 HD11 ILE B 49 16.973 -2.579 1.380 1.00 0.73 H new ATOM 0 HD12 ILE B 49 17.478 -2.145 3.030 1.00 0.73 H new ATOM 0 HD13 ILE B 49 15.850 -2.801 2.742 1.00 0.73 H new ATOM 2865 N LYS B 50 16.450 2.479 5.610 1.00 0.55 N ATOM 2866 CA LYS B 50 16.016 3.201 6.802 1.00 0.57 C ATOM 2867 C LYS B 50 15.756 4.675 6.489 1.00 0.53 C ATOM 2868 O LYS B 50 16.505 5.297 5.736 1.00 0.58 O ATOM 2869 CB LYS B 50 17.085 3.079 7.896 1.00 0.65 C ATOM 2870 CG LYS B 50 18.509 3.228 7.376 1.00 0.75 C ATOM 2871 CD LYS B 50 19.541 2.951 8.455 1.00 0.84 C ATOM 2872 CE LYS B 50 20.914 2.712 7.845 1.00 0.87 C ATOM 2873 NZ LYS B 50 21.975 2.584 8.876 1.00 0.97 N ATOM 0 H LYS B 50 16.899 3.064 4.905 1.00 0.55 H new ATOM 0 HA LYS B 50 15.083 2.759 7.151 1.00 0.57 H new ATOM 0 HB2 LYS B 50 16.903 3.839 8.656 1.00 0.65 H new ATOM 0 HB3 LYS B 50 16.985 2.109 8.384 1.00 0.65 H new ATOM 0 HG2 LYS B 50 18.664 2.543 6.542 1.00 0.75 H new ATOM 0 HG3 LYS B 50 18.650 4.238 6.990 1.00 0.75 H new ATOM 0 HD2 LYS B 50 19.587 3.794 9.145 1.00 0.84 H new ATOM 0 HD3 LYS B 50 19.240 2.079 9.036 1.00 0.84 H new ATOM 0 HE2 LYS B 50 20.887 1.806 7.240 1.00 0.87 H new ATOM 0 HE3 LYS B 50 21.160 3.536 7.175 1.00 0.87 H new ATOM 0 HZ1 LYS B 50 22.750 1.997 8.506 1.00 0.97 H new ATOM 0 HZ2 LYS B 50 22.340 3.527 9.117 1.00 0.97 H new ATOM 0 HZ3 LYS B 50 21.579 2.137 9.728 1.00 0.97 H new ATOM 2887 N SER B 51 14.690 5.224 7.060 1.00 0.53 N ATOM 2888 CA SER B 51 14.339 6.624 6.854 1.00 0.55 C ATOM 2889 C SER B 51 14.746 7.436 8.087 1.00 0.65 C ATOM 2890 O SER B 51 13.918 8.081 8.732 1.00 1.09 O ATOM 2891 CB SER B 51 12.840 6.751 6.564 1.00 0.62 C ATOM 2892 OG SER B 51 12.087 5.832 7.342 1.00 0.95 O ATOM 0 H SER B 51 14.051 4.718 7.673 1.00 0.53 H new ATOM 0 HA SER B 51 14.876 7.019 5.992 1.00 0.55 H new ATOM 0 HB2 SER B 51 12.510 7.768 6.777 1.00 0.62 H new ATOM 0 HB3 SER B 51 12.655 6.572 5.505 1.00 0.62 H new ATOM 0 HG SER B 51 11.207 5.701 6.932 1.00 0.95 H new ATOM 2898 N THR B 52 16.041 7.399 8.379 1.00 0.64 N ATOM 2899 CA THR B 52 16.626 8.071 9.538 1.00 0.76 C ATOM 2900 C THR B 52 15.992 9.436 9.842 1.00 0.69 C ATOM 2901 O THR B 52 15.187 9.561 10.768 1.00 0.83 O ATOM 2902 CB THR B 52 18.149 8.237 9.345 1.00 0.98 C ATOM 2903 OG1 THR B 52 18.455 8.317 7.942 1.00 1.09 O ATOM 2904 CG2 THR B 52 18.905 7.071 9.966 1.00 1.28 C ATOM 0 H THR B 52 16.724 6.896 7.812 1.00 0.64 H new ATOM 0 HA THR B 52 16.420 7.431 10.396 1.00 0.76 H new ATOM 0 HB THR B 52 18.460 9.156 9.842 1.00 0.98 H new ATOM 0 HG1 THR B 52 18.630 9.250 7.698 1.00 1.09 H new ATOM 0 HG21 THR B 52 19.976 7.211 9.817 1.00 1.28 H new ATOM 0 HG22 THR B 52 18.690 7.025 11.034 1.00 1.28 H new ATOM 0 HG23 THR B 52 18.591 6.141 9.493 1.00 1.28 H new ATOM 2912 N GLU B 53 16.341 10.447 9.057 1.00 0.70 N ATOM 2913 CA GLU B 53 15.835 11.799 9.274 1.00 0.76 C ATOM 2914 C GLU B 53 14.596 12.071 8.428 1.00 0.72 C ATOM 2915 O GLU B 53 14.538 13.065 7.701 1.00 1.00 O ATOM 2916 CB GLU B 53 16.925 12.833 8.950 1.00 1.03 C ATOM 2917 CG GLU B 53 18.294 12.512 9.546 1.00 1.14 C ATOM 2918 CD GLU B 53 19.072 11.458 8.769 1.00 1.14 C ATOM 2919 OE1 GLU B 53 18.573 10.962 7.732 1.00 1.17 O ATOM 2920 OE2 GLU B 53 20.192 11.115 9.194 1.00 1.68 O ATOM 0 H GLU B 53 16.974 10.357 8.262 1.00 0.70 H new ATOM 0 HA GLU B 53 15.556 11.885 10.324 1.00 0.76 H new ATOM 0 HB2 GLU B 53 17.023 12.913 7.867 1.00 1.03 H new ATOM 0 HB3 GLU B 53 16.603 13.809 9.314 1.00 1.03 H new ATOM 0 HG2 GLU B 53 18.884 13.427 9.589 1.00 1.14 H new ATOM 0 HG3 GLU B 53 18.162 12.169 10.572 1.00 1.14 H new ATOM 2927 N THR B 54 13.598 11.201 8.527 1.00 0.66 N ATOM 2928 CA THR B 54 12.369 11.373 7.754 1.00 0.68 C ATOM 2929 C THR B 54 11.270 10.396 8.180 1.00 0.60 C ATOM 2930 O THR B 54 10.094 10.772 8.232 1.00 0.83 O ATOM 2931 CB THR B 54 12.629 11.226 6.234 1.00 0.88 C ATOM 2932 OG1 THR B 54 13.204 12.433 5.711 1.00 1.10 O ATOM 2933 CG2 THR B 54 11.343 10.909 5.477 1.00 1.15 C ATOM 0 H THR B 54 13.612 10.377 9.128 1.00 0.66 H new ATOM 0 HA THR B 54 12.023 12.386 7.961 1.00 0.68 H new ATOM 0 HB THR B 54 13.324 10.397 6.097 1.00 0.88 H new ATOM 0 HG1 THR B 54 13.468 13.017 6.452 1.00 1.10 H new ATOM 0 HG21 THR B 54 11.561 10.812 4.413 1.00 1.15 H new ATOM 0 HG22 THR B 54 10.924 9.974 5.848 1.00 1.15 H new ATOM 0 HG23 THR B 54 10.624 11.714 5.628 1.00 1.15 H new ATOM 2941 N GLY B 55 11.641 9.159 8.490 1.00 0.56 N ATOM 2942 CA GLY B 55 10.654 8.175 8.878 1.00 0.59 C ATOM 2943 C GLY B 55 11.063 7.365 10.089 1.00 0.58 C ATOM 2944 O GLY B 55 10.952 7.835 11.224 1.00 0.75 O ATOM 0 H GLY B 55 12.604 8.823 8.479 1.00 0.56 H new ATOM 0 HA2 GLY B 55 9.711 8.679 9.088 1.00 0.59 H new ATOM 0 HA3 GLY B 55 10.475 7.500 8.041 1.00 0.59 H new ATOM 2948 N GLN B 56 11.550 6.150 9.849 1.00 0.51 N ATOM 2949 CA GLN B 56 11.938 5.248 10.926 1.00 0.54 C ATOM 2950 C GLN B 56 12.841 4.123 10.409 1.00 0.50 C ATOM 2951 O GLN B 56 13.262 4.126 9.246 1.00 0.51 O ATOM 2952 CB GLN B 56 10.689 4.631 11.590 1.00 0.62 C ATOM 2953 CG GLN B 56 9.346 5.175 11.095 1.00 0.76 C ATOM 2954 CD GLN B 56 9.010 4.762 9.665 1.00 0.88 C ATOM 2955 OE1 GLN B 56 9.350 5.451 8.706 1.00 1.21 O ATOM 2956 NE2 GLN B 56 8.324 3.641 9.510 1.00 1.07 N ATOM 0 H GLN B 56 11.685 5.768 8.913 1.00 0.51 H new ATOM 0 HA GLN B 56 12.491 5.834 11.661 1.00 0.54 H new ATOM 0 HB2 GLN B 56 10.707 3.553 11.428 1.00 0.62 H new ATOM 0 HB3 GLN B 56 10.753 4.793 12.666 1.00 0.62 H new ATOM 0 HG2 GLN B 56 8.555 4.828 11.760 1.00 0.76 H new ATOM 0 HG3 GLN B 56 9.359 6.263 11.157 1.00 0.76 H new ATOM 0 HE21 GLN B 56 8.056 3.090 10.326 1.00 1.07 H new ATOM 0 HE22 GLN B 56 8.063 3.328 8.575 1.00 1.07 H new ATOM 2965 N TYR B 57 13.141 3.168 11.286 1.00 0.52 N ATOM 2966 CA TYR B 57 13.964 2.021 10.927 1.00 0.53 C ATOM 2967 C TYR B 57 13.062 0.873 10.494 1.00 0.49 C ATOM 2968 O TYR B 57 12.030 0.618 11.122 1.00 0.53 O ATOM 2969 CB TYR B 57 14.847 1.596 12.103 1.00 0.61 C ATOM 2970 CG TYR B 57 16.032 2.507 12.332 1.00 0.66 C ATOM 2971 CD1 TYR B 57 16.863 2.874 11.280 1.00 0.75 C ATOM 2972 CD2 TYR B 57 16.323 2.995 13.598 1.00 0.80 C ATOM 2973 CE1 TYR B 57 17.947 3.703 11.484 1.00 0.86 C ATOM 2974 CE2 TYR B 57 17.406 3.826 13.810 1.00 0.91 C ATOM 2975 CZ TYR B 57 18.215 4.178 12.748 1.00 0.89 C ATOM 2976 OH TYR B 57 19.299 5.002 12.953 1.00 1.04 O ATOM 0 H TYR B 57 12.823 3.168 12.255 1.00 0.52 H new ATOM 0 HA TYR B 57 14.620 2.297 10.101 1.00 0.53 H new ATOM 0 HB2 TYR B 57 14.242 1.567 13.009 1.00 0.61 H new ATOM 0 HB3 TYR B 57 15.207 0.582 11.928 1.00 0.61 H new ATOM 0 HD1 TYR B 57 16.657 2.504 10.286 1.00 0.75 H new ATOM 0 HD2 TYR B 57 15.693 2.721 14.431 1.00 0.80 H new ATOM 0 HE1 TYR B 57 18.583 3.978 10.655 1.00 0.86 H new ATOM 0 HE2 TYR B 57 17.619 4.198 14.801 1.00 0.91 H new ATOM 0 HH TYR B 57 19.347 5.250 13.900 1.00 1.04 H new ATOM 2986 N LEU B 58 13.442 0.188 9.425 1.00 0.50 N ATOM 2987 CA LEU B 58 12.641 -0.910 8.901 1.00 0.48 C ATOM 2988 C LEU B 58 12.841 -2.203 9.689 1.00 0.52 C ATOM 2989 O LEU B 58 13.921 -2.470 10.221 1.00 0.60 O ATOM 2990 CB LEU B 58 12.943 -1.131 7.415 1.00 0.55 C ATOM 2991 CG LEU B 58 12.187 -0.200 6.457 1.00 0.59 C ATOM 2992 CD1 LEU B 58 12.595 1.252 6.672 1.00 0.73 C ATOM 2993 CD2 LEU B 58 12.422 -0.609 5.012 1.00 0.80 C ATOM 0 H LEU B 58 14.299 0.373 8.904 1.00 0.50 H new ATOM 0 HA LEU B 58 11.594 -0.627 9.013 1.00 0.48 H new ATOM 0 HB2 LEU B 58 14.013 -1.003 7.254 1.00 0.55 H new ATOM 0 HB3 LEU B 58 12.703 -2.163 7.160 1.00 0.55 H new ATOM 0 HG LEU B 58 11.122 -0.290 6.673 1.00 0.59 H new ATOM 0 HD11 LEU B 58 12.045 1.891 5.981 1.00 0.73 H new ATOM 0 HD12 LEU B 58 12.368 1.546 7.697 1.00 0.73 H new ATOM 0 HD13 LEU B 58 13.665 1.360 6.492 1.00 0.73 H new ATOM 0 HD21 LEU B 58 11.877 0.064 4.350 1.00 0.80 H new ATOM 0 HD22 LEU B 58 13.487 -0.555 4.787 1.00 0.80 H new ATOM 0 HD23 LEU B 58 12.070 -1.630 4.861 1.00 0.80 H new ATOM 3005 N ALA B 59 11.776 -2.987 9.766 1.00 0.51 N ATOM 3006 CA ALA B 59 11.787 -4.259 10.466 1.00 0.58 C ATOM 3007 C ALA B 59 10.852 -5.223 9.750 1.00 0.57 C ATOM 3008 O ALA B 59 9.758 -5.534 10.229 1.00 0.72 O ATOM 3009 CB ALA B 59 11.385 -4.077 11.924 1.00 0.68 C ATOM 0 H ALA B 59 10.877 -2.756 9.342 1.00 0.51 H new ATOM 0 HA ALA B 59 12.796 -4.671 10.461 1.00 0.58 H new ATOM 0 HB1 ALA B 59 11.400 -5.043 12.429 1.00 0.68 H new ATOM 0 HB2 ALA B 59 12.086 -3.401 12.413 1.00 0.68 H new ATOM 0 HB3 ALA B 59 10.381 -3.657 11.975 1.00 0.68 H new ATOM 3015 N MET B 60 11.281 -5.650 8.568 1.00 0.52 N ATOM 3016 CA MET B 60 10.503 -6.562 7.742 1.00 0.53 C ATOM 3017 C MET B 60 10.051 -7.785 8.529 1.00 0.60 C ATOM 3018 O MET B 60 10.845 -8.423 9.221 1.00 0.86 O ATOM 3019 CB MET B 60 11.320 -7.012 6.527 1.00 0.56 C ATOM 3020 CG MET B 60 11.339 -6.007 5.386 1.00 0.59 C ATOM 3021 SD MET B 60 12.154 -4.457 5.819 1.00 0.70 S ATOM 3022 CE MET B 60 12.515 -3.812 4.186 1.00 0.94 C ATOM 0 H MET B 60 12.173 -5.375 8.158 1.00 0.52 H new ATOM 0 HA MET B 60 9.617 -6.022 7.408 1.00 0.53 H new ATOM 0 HB2 MET B 60 12.345 -7.206 6.843 1.00 0.56 H new ATOM 0 HB3 MET B 60 10.916 -7.955 6.160 1.00 0.56 H new ATOM 0 HG2 MET B 60 11.846 -6.450 4.529 1.00 0.59 H new ATOM 0 HG3 MET B 60 10.315 -5.798 5.077 1.00 0.59 H new ATOM 0 HE1 MET B 60 13.447 -3.247 4.216 1.00 0.94 H new ATOM 0 HE2 MET B 60 12.614 -4.638 3.482 1.00 0.94 H new ATOM 0 HE3 MET B 60 11.704 -3.158 3.866 1.00 0.94 H new ATOM 3032 N ASP B 61 8.767 -8.092 8.436 1.00 0.56 N ATOM 3033 CA ASP B 61 8.216 -9.260 9.101 1.00 0.63 C ATOM 3034 C ASP B 61 8.428 -10.466 8.202 1.00 0.62 C ATOM 3035 O ASP B 61 7.541 -10.847 7.428 1.00 0.64 O ATOM 3036 CB ASP B 61 6.728 -9.063 9.412 1.00 0.72 C ATOM 3037 CG ASP B 61 6.143 -10.201 10.227 1.00 0.84 C ATOM 3038 OD1 ASP B 61 6.480 -10.314 11.424 1.00 1.10 O ATOM 3039 OD2 ASP B 61 5.329 -10.973 9.683 1.00 1.16 O ATOM 0 H ASP B 61 8.087 -7.547 7.906 1.00 0.56 H new ATOM 0 HA ASP B 61 8.724 -9.416 10.053 1.00 0.63 H new ATOM 0 HB2 ASP B 61 6.596 -8.127 9.955 1.00 0.72 H new ATOM 0 HB3 ASP B 61 6.175 -8.970 8.477 1.00 0.72 H new ATOM 3044 N THR B 62 9.632 -11.027 8.267 1.00 0.67 N ATOM 3045 CA THR B 62 9.997 -12.179 7.451 1.00 0.74 C ATOM 3046 C THR B 62 9.714 -11.889 5.976 1.00 0.69 C ATOM 3047 O THR B 62 9.150 -12.719 5.260 1.00 0.73 O ATOM 3048 CB THR B 62 9.256 -13.466 7.897 1.00 0.83 C ATOM 3049 OG1 THR B 62 7.842 -13.241 8.022 1.00 0.89 O ATOM 3050 CG2 THR B 62 9.805 -13.968 9.224 1.00 1.03 C ATOM 0 H THR B 62 10.376 -10.698 8.882 1.00 0.67 H new ATOM 0 HA THR B 62 11.064 -12.354 7.588 1.00 0.74 H new ATOM 0 HB THR B 62 9.422 -14.219 7.127 1.00 0.83 H new ATOM 0 HG1 THR B 62 7.568 -12.531 7.404 1.00 0.89 H new ATOM 0 HG21 THR B 62 9.272 -14.872 9.520 1.00 1.03 H new ATOM 0 HG22 THR B 62 10.867 -14.191 9.117 1.00 1.03 H new ATOM 0 HG23 THR B 62 9.670 -13.201 9.987 1.00 1.03 H new ATOM 3058 N ASP B 63 10.104 -10.691 5.537 1.00 0.63 N ATOM 3059 CA ASP B 63 9.889 -10.231 4.156 1.00 0.61 C ATOM 3060 C ASP B 63 8.396 -10.037 3.866 1.00 0.61 C ATOM 3061 O ASP B 63 7.989 -8.992 3.361 1.00 0.83 O ATOM 3062 CB ASP B 63 10.509 -11.198 3.138 1.00 0.70 C ATOM 3063 CG ASP B 63 10.996 -10.487 1.884 1.00 0.84 C ATOM 3064 OD1 ASP B 63 10.204 -10.342 0.922 1.00 1.06 O ATOM 3065 OD2 ASP B 63 12.181 -10.078 1.856 1.00 1.00 O ATOM 0 H ASP B 63 10.579 -10.008 6.127 1.00 0.63 H new ATOM 0 HA ASP B 63 10.389 -9.268 4.054 1.00 0.61 H new ATOM 0 HB2 ASP B 63 11.344 -11.723 3.602 1.00 0.70 H new ATOM 0 HB3 ASP B 63 9.772 -11.952 2.862 1.00 0.70 H new ATOM 3070 N GLY B 64 7.588 -11.051 4.187 1.00 0.64 N ATOM 3071 CA GLY B 64 6.151 -10.980 3.979 1.00 0.63 C ATOM 3072 C GLY B 64 5.583 -9.605 4.276 1.00 0.57 C ATOM 3073 O GLY B 64 5.052 -8.943 3.382 1.00 0.61 O ATOM 0 H GLY B 64 7.911 -11.929 4.592 1.00 0.64 H new ATOM 0 HA2 GLY B 64 5.924 -11.247 2.947 1.00 0.63 H new ATOM 0 HA3 GLY B 64 5.659 -11.717 4.614 1.00 0.63 H new ATOM 3077 N LEU B 65 5.698 -9.174 5.526 1.00 0.54 N ATOM 3078 CA LEU B 65 5.196 -7.868 5.929 1.00 0.53 C ATOM 3079 C LEU B 65 6.345 -6.864 6.033 1.00 0.48 C ATOM 3080 O LEU B 65 7.030 -6.784 7.056 1.00 0.56 O ATOM 3081 CB LEU B 65 4.437 -7.971 7.258 1.00 0.62 C ATOM 3082 CG LEU B 65 2.948 -7.618 7.186 1.00 0.80 C ATOM 3083 CD1 LEU B 65 2.231 -8.510 6.185 1.00 1.05 C ATOM 3084 CD2 LEU B 65 2.307 -7.737 8.559 1.00 1.00 C ATOM 0 H LEU B 65 6.134 -9.709 6.277 1.00 0.54 H new ATOM 0 HA LEU B 65 4.501 -7.512 5.169 1.00 0.53 H new ATOM 0 HB2 LEU B 65 4.535 -8.988 7.637 1.00 0.62 H new ATOM 0 HB3 LEU B 65 4.916 -7.313 7.984 1.00 0.62 H new ATOM 0 HG LEU B 65 2.857 -6.585 6.849 1.00 0.80 H new ATOM 0 HD11 LEU B 65 1.175 -8.242 6.150 1.00 1.05 H new ATOM 0 HD12 LEU B 65 2.672 -8.376 5.197 1.00 1.05 H new ATOM 0 HD13 LEU B 65 2.331 -9.552 6.489 1.00 1.05 H new ATOM 0 HD21 LEU B 65 1.249 -7.483 8.490 1.00 1.00 H new ATOM 0 HD22 LEU B 65 2.412 -8.759 8.922 1.00 1.00 H new ATOM 0 HD23 LEU B 65 2.800 -7.054 9.251 1.00 1.00 H new ATOM 3096 N LEU B 66 6.562 -6.116 4.956 1.00 0.44 N ATOM 3097 CA LEU B 66 7.627 -5.122 4.914 1.00 0.42 C ATOM 3098 C LEU B 66 7.170 -3.823 5.574 1.00 0.43 C ATOM 3099 O LEU B 66 6.274 -3.140 5.067 1.00 0.55 O ATOM 3100 CB LEU B 66 8.050 -4.844 3.466 1.00 0.44 C ATOM 3101 CG LEU B 66 8.316 -6.081 2.603 1.00 0.47 C ATOM 3102 CD1 LEU B 66 8.301 -5.711 1.129 1.00 0.53 C ATOM 3103 CD2 LEU B 66 9.645 -6.722 2.974 1.00 0.53 C ATOM 0 H LEU B 66 6.013 -6.180 4.099 1.00 0.44 H new ATOM 0 HA LEU B 66 8.482 -5.519 5.461 1.00 0.42 H new ATOM 0 HB2 LEU B 66 7.272 -4.250 2.987 1.00 0.44 H new ATOM 0 HB3 LEU B 66 8.953 -4.233 3.481 1.00 0.44 H new ATOM 0 HG LEU B 66 7.523 -6.805 2.790 1.00 0.47 H new ATOM 0 HD11 LEU B 66 8.492 -6.601 0.529 1.00 0.53 H new ATOM 0 HD12 LEU B 66 7.327 -5.298 0.867 1.00 0.53 H new ATOM 0 HD13 LEU B 66 9.074 -4.968 0.932 1.00 0.53 H new ATOM 0 HD21 LEU B 66 9.813 -7.599 2.349 1.00 0.53 H new ATOM 0 HD22 LEU B 66 10.451 -6.005 2.818 1.00 0.53 H new ATOM 0 HD23 LEU B 66 9.624 -7.022 4.022 1.00 0.53 H new ATOM 3115 N TYR B 67 7.774 -3.488 6.708 1.00 0.47 N ATOM 3116 CA TYR B 67 7.428 -2.267 7.424 1.00 0.50 C ATOM 3117 C TYR B 67 8.584 -1.825 8.321 1.00 0.47 C ATOM 3118 O TYR B 67 9.558 -2.561 8.502 1.00 0.49 O ATOM 3119 CB TYR B 67 6.159 -2.478 8.262 1.00 0.60 C ATOM 3120 CG TYR B 67 6.386 -3.292 9.519 1.00 0.65 C ATOM 3121 CD1 TYR B 67 6.754 -2.677 10.710 1.00 0.76 C ATOM 3122 CD2 TYR B 67 6.241 -4.674 9.513 1.00 0.78 C ATOM 3123 CE1 TYR B 67 6.971 -3.413 11.858 1.00 0.91 C ATOM 3124 CE2 TYR B 67 6.453 -5.417 10.659 1.00 0.92 C ATOM 3125 CZ TYR B 67 6.820 -4.782 11.828 1.00 0.95 C ATOM 3126 OH TYR B 67 7.036 -5.519 12.972 1.00 1.15 O ATOM 0 H TYR B 67 8.505 -4.045 7.151 1.00 0.47 H new ATOM 0 HA TYR B 67 7.237 -1.483 6.691 1.00 0.50 H new ATOM 0 HB2 TYR B 67 5.751 -1.506 8.538 1.00 0.60 H new ATOM 0 HB3 TYR B 67 5.408 -2.976 7.648 1.00 0.60 H new ATOM 0 HD1 TYR B 67 6.872 -1.604 10.738 1.00 0.76 H new ATOM 0 HD2 TYR B 67 5.958 -5.175 8.599 1.00 0.78 H new ATOM 0 HE1 TYR B 67 7.257 -2.918 12.774 1.00 0.91 H new ATOM 0 HE2 TYR B 67 6.332 -6.490 10.640 1.00 0.92 H new ATOM 0 HH TYR B 67 6.887 -6.469 12.782 1.00 1.15 H new ATOM 3136 N GLY B 68 8.465 -0.628 8.880 1.00 0.54 N ATOM 3137 CA GLY B 68 9.493 -0.098 9.754 1.00 0.55 C ATOM 3138 C GLY B 68 8.915 0.840 10.790 1.00 0.53 C ATOM 3139 O GLY B 68 7.806 1.339 10.615 1.00 0.63 O ATOM 0 H GLY B 68 7.666 -0.009 8.742 1.00 0.54 H new ATOM 0 HA2 GLY B 68 10.006 -0.920 10.253 1.00 0.55 H new ATOM 0 HA3 GLY B 68 10.239 0.430 9.160 1.00 0.55 H new ATOM 3143 N SER B 69 9.662 1.087 11.857 1.00 0.50 N ATOM 3144 CA SER B 69 9.223 1.973 12.933 1.00 0.52 C ATOM 3145 C SER B 69 10.163 1.845 14.130 1.00 0.60 C ATOM 3146 O SER B 69 10.819 2.811 14.528 1.00 0.75 O ATOM 3147 CB SER B 69 7.783 1.648 13.365 1.00 0.64 C ATOM 3148 OG SER B 69 7.296 2.600 14.297 1.00 0.78 O ATOM 0 H SER B 69 10.587 0.682 12.004 1.00 0.50 H new ATOM 0 HA SER B 69 9.246 2.997 12.560 1.00 0.52 H new ATOM 0 HB2 SER B 69 7.134 1.629 12.489 1.00 0.64 H new ATOM 0 HB3 SER B 69 7.750 0.653 13.808 1.00 0.64 H new ATOM 0 HG SER B 69 6.918 3.365 13.816 1.00 0.78 H new ATOM 3154 N GLN B 70 10.242 0.635 14.673 1.00 0.71 N ATOM 3155 CA GLN B 70 11.076 0.357 15.834 1.00 0.93 C ATOM 3156 C GLN B 70 12.516 0.041 15.424 1.00 0.74 C ATOM 3157 O GLN B 70 12.923 0.332 14.299 1.00 1.12 O ATOM 3158 CB GLN B 70 10.469 -0.801 16.630 1.00 1.33 C ATOM 3159 CG GLN B 70 9.072 -0.510 17.158 1.00 1.54 C ATOM 3160 CD GLN B 70 8.989 0.816 17.890 1.00 1.73 C ATOM 3161 OE1 GLN B 70 9.363 0.915 19.059 1.00 2.18 O ATOM 3162 NE2 GLN B 70 8.479 1.841 17.220 1.00 1.58 N ATOM 0 H GLN B 70 9.732 -0.176 14.322 1.00 0.71 H new ATOM 0 HA GLN B 70 11.109 1.247 16.462 1.00 0.93 H new ATOM 0 HB2 GLN B 70 10.432 -1.687 15.996 1.00 1.33 H new ATOM 0 HB3 GLN B 70 11.124 -1.037 17.469 1.00 1.33 H new ATOM 0 HG2 GLN B 70 8.367 -0.507 16.327 1.00 1.54 H new ATOM 0 HG3 GLN B 70 8.768 -1.312 17.831 1.00 1.54 H new ATOM 0 HE21 GLN B 70 8.180 1.720 16.252 1.00 1.58 H new ATOM 0 HE22 GLN B 70 8.386 2.750 17.672 1.00 1.58 H new ATOM 3171 N THR B 71 13.278 -0.542 16.346 1.00 0.68 N ATOM 3172 CA THR B 71 14.670 -0.892 16.104 1.00 0.84 C ATOM 3173 C THR B 71 14.835 -1.723 14.830 1.00 0.68 C ATOM 3174 O THR B 71 14.022 -2.609 14.548 1.00 0.67 O ATOM 3175 CB THR B 71 15.247 -1.674 17.300 1.00 1.27 C ATOM 3176 OG1 THR B 71 14.246 -2.556 17.838 1.00 1.37 O ATOM 3177 CG2 THR B 71 15.725 -0.726 18.387 1.00 1.69 C ATOM 0 H THR B 71 12.946 -0.784 17.280 1.00 0.68 H new ATOM 0 HA THR B 71 15.217 0.042 15.978 1.00 0.84 H new ATOM 0 HB THR B 71 16.098 -2.257 16.947 1.00 1.27 H new ATOM 0 HG1 THR B 71 14.620 -3.051 18.597 1.00 1.37 H new ATOM 0 HG21 THR B 71 16.128 -1.302 19.220 1.00 1.69 H new ATOM 0 HG22 THR B 71 16.502 -0.075 17.986 1.00 1.69 H new ATOM 0 HG23 THR B 71 14.888 -0.120 18.735 1.00 1.69 H new ATOM 3185 N PRO B 72 15.891 -1.447 14.046 1.00 0.71 N ATOM 3186 CA PRO B 72 16.165 -2.168 12.807 1.00 0.69 C ATOM 3187 C PRO B 72 16.777 -3.542 13.072 1.00 0.67 C ATOM 3188 O PRO B 72 17.913 -3.649 13.548 1.00 0.74 O ATOM 3189 CB PRO B 72 17.164 -1.263 12.087 1.00 0.86 C ATOM 3190 CG PRO B 72 17.888 -0.556 13.181 1.00 0.95 C ATOM 3191 CD PRO B 72 16.907 -0.410 14.316 1.00 0.90 C ATOM 0 HA PRO B 72 15.260 -2.363 12.231 1.00 0.69 H new ATOM 0 HB2 PRO B 72 17.849 -1.842 11.468 1.00 0.86 H new ATOM 0 HB3 PRO B 72 16.657 -0.559 11.428 1.00 0.86 H new ATOM 0 HG2 PRO B 72 18.765 -1.122 13.496 1.00 0.95 H new ATOM 0 HG3 PRO B 72 18.242 0.419 12.846 1.00 0.95 H new ATOM 0 HD2 PRO B 72 17.388 -0.565 15.282 1.00 0.90 H new ATOM 0 HD3 PRO B 72 16.465 0.586 14.336 1.00 0.90 H new ATOM 3199 N ASN B 73 16.014 -4.587 12.781 1.00 0.66 N ATOM 3200 CA ASN B 73 16.476 -5.959 12.979 1.00 0.68 C ATOM 3201 C ASN B 73 17.169 -6.464 11.709 1.00 0.64 C ATOM 3202 O ASN B 73 17.146 -5.783 10.682 1.00 0.62 O ATOM 3203 CB ASN B 73 15.297 -6.867 13.354 1.00 0.75 C ATOM 3204 CG ASN B 73 15.735 -8.252 13.794 1.00 0.89 C ATOM 3205 OD1 ASN B 73 16.873 -8.450 14.223 1.00 1.03 O ATOM 3206 ND2 ASN B 73 14.839 -9.222 13.700 1.00 1.24 N ATOM 0 H ASN B 73 15.069 -4.513 12.406 1.00 0.66 H new ATOM 0 HA ASN B 73 17.195 -5.979 13.798 1.00 0.68 H new ATOM 0 HB2 ASN B 73 14.726 -6.400 14.157 1.00 0.75 H new ATOM 0 HB3 ASN B 73 14.628 -6.958 12.498 1.00 0.75 H new ATOM 0 HD21 ASN B 73 15.082 -10.170 13.988 1.00 1.24 H new ATOM 0 HD22 ASN B 73 13.906 -9.021 13.340 1.00 1.24 H new ATOM 3213 N GLU B 74 17.778 -7.653 11.769 1.00 0.69 N ATOM 3214 CA GLU B 74 18.476 -8.218 10.603 1.00 0.70 C ATOM 3215 C GLU B 74 17.613 -8.084 9.348 1.00 0.65 C ATOM 3216 O GLU B 74 18.122 -7.829 8.257 1.00 0.81 O ATOM 3217 CB GLU B 74 18.845 -9.696 10.805 1.00 0.88 C ATOM 3218 CG GLU B 74 19.127 -10.098 12.247 1.00 0.97 C ATOM 3219 CD GLU B 74 18.051 -11.000 12.824 1.00 1.24 C ATOM 3220 OE1 GLU B 74 16.872 -10.872 12.425 1.00 1.85 O ATOM 3221 OE2 GLU B 74 18.379 -11.853 13.671 1.00 1.57 O ATOM 0 H GLU B 74 17.804 -8.240 12.603 1.00 0.69 H new ATOM 0 HA GLU B 74 19.399 -7.651 10.484 1.00 0.70 H new ATOM 0 HB2 GLU B 74 18.031 -10.313 10.424 1.00 0.88 H new ATOM 0 HB3 GLU B 74 19.725 -9.921 10.202 1.00 0.88 H new ATOM 0 HG2 GLU B 74 20.089 -10.609 12.296 1.00 0.97 H new ATOM 0 HG3 GLU B 74 19.211 -9.201 12.860 1.00 0.97 H new ATOM 3228 N GLU B 75 16.304 -8.241 9.524 1.00 0.65 N ATOM 3229 CA GLU B 75 15.343 -8.137 8.423 1.00 0.66 C ATOM 3230 C GLU B 75 15.510 -6.822 7.638 1.00 0.62 C ATOM 3231 O GLU B 75 15.054 -6.716 6.503 1.00 0.82 O ATOM 3232 CB GLU B 75 13.907 -8.222 8.960 1.00 0.75 C ATOM 3233 CG GLU B 75 13.629 -9.425 9.861 1.00 0.81 C ATOM 3234 CD GLU B 75 13.217 -10.677 9.100 1.00 0.95 C ATOM 3235 OE1 GLU B 75 12.551 -10.563 8.053 1.00 1.19 O ATOM 3236 OE2 GLU B 75 13.549 -11.791 9.565 1.00 1.39 O ATOM 0 H GLU B 75 15.878 -8.443 10.428 1.00 0.65 H new ATOM 0 HA GLU B 75 15.538 -8.969 7.746 1.00 0.66 H new ATOM 0 HB2 GLU B 75 13.688 -7.311 9.517 1.00 0.75 H new ATOM 0 HB3 GLU B 75 13.219 -8.252 8.115 1.00 0.75 H new ATOM 0 HG2 GLU B 75 14.522 -9.644 10.446 1.00 0.81 H new ATOM 0 HG3 GLU B 75 12.841 -9.164 10.568 1.00 0.81 H new ATOM 3243 N CYS B 76 16.155 -5.827 8.251 1.00 0.59 N ATOM 3244 CA CYS B 76 16.362 -4.523 7.619 1.00 0.66 C ATOM 3245 C CYS B 76 17.573 -4.504 6.671 1.00 0.63 C ATOM 3246 O CYS B 76 17.782 -3.518 5.956 1.00 0.68 O ATOM 3247 CB CYS B 76 16.543 -3.462 8.712 1.00 0.78 C ATOM 3248 SG CYS B 76 16.663 -1.755 8.118 1.00 1.00 S ATOM 0 H CYS B 76 16.545 -5.901 9.191 1.00 0.59 H new ATOM 0 HA CYS B 76 15.483 -4.308 7.012 1.00 0.66 H new ATOM 0 HB2 CYS B 76 15.704 -3.531 9.405 1.00 0.78 H new ATOM 0 HB3 CYS B 76 17.444 -3.697 9.278 1.00 0.78 H new ATOM 0 HG CYS B 76 17.195 -1.745 6.932 1.00 1.00 H new ATOM 3254 N LEU B 77 18.368 -5.576 6.653 1.00 0.61 N ATOM 3255 CA LEU B 77 19.549 -5.621 5.791 1.00 0.63 C ATOM 3256 C LEU B 77 19.302 -6.485 4.553 1.00 0.57 C ATOM 3257 O LEU B 77 18.855 -7.631 4.660 1.00 0.62 O ATOM 3258 CB LEU B 77 20.767 -6.129 6.576 1.00 0.72 C ATOM 3259 CG LEU B 77 20.780 -7.629 6.880 1.00 0.79 C ATOM 3260 CD1 LEU B 77 21.601 -8.372 5.839 1.00 1.05 C ATOM 3261 CD2 LEU B 77 21.322 -7.887 8.278 1.00 0.93 C ATOM 0 H LEU B 77 18.218 -6.413 7.217 1.00 0.61 H new ATOM 0 HA LEU B 77 19.755 -4.607 5.449 1.00 0.63 H new ATOM 0 HB2 LEU B 77 21.668 -5.883 6.013 1.00 0.72 H new ATOM 0 HB3 LEU B 77 20.822 -5.585 7.519 1.00 0.72 H new ATOM 0 HG LEU B 77 19.756 -8.000 6.839 1.00 0.79 H new ATOM 0 HD11 LEU B 77 21.601 -9.438 6.068 1.00 1.05 H new ATOM 0 HD12 LEU B 77 21.167 -8.213 4.852 1.00 1.05 H new ATOM 0 HD13 LEU B 77 22.625 -7.999 5.849 1.00 1.05 H new ATOM 0 HD21 LEU B 77 21.323 -8.959 8.476 1.00 0.93 H new ATOM 0 HD22 LEU B 77 22.340 -7.503 8.350 1.00 0.93 H new ATOM 0 HD23 LEU B 77 20.692 -7.384 9.011 1.00 0.93 H new ATOM 3273 N PHE B 78 19.592 -5.923 3.379 1.00 0.53 N ATOM 3274 CA PHE B 78 19.400 -6.631 2.112 1.00 0.51 C ATOM 3275 C PHE B 78 20.663 -6.569 1.250 1.00 0.52 C ATOM 3276 O PHE B 78 21.449 -5.626 1.347 1.00 0.55 O ATOM 3277 CB PHE B 78 18.218 -6.035 1.340 1.00 0.50 C ATOM 3278 CG PHE B 78 16.886 -6.273 1.994 1.00 0.53 C ATOM 3279 CD1 PHE B 78 16.493 -5.523 3.090 1.00 0.65 C ATOM 3280 CD2 PHE B 78 16.030 -7.249 1.512 1.00 0.62 C ATOM 3281 CE1 PHE B 78 15.269 -5.741 3.693 1.00 0.76 C ATOM 3282 CE2 PHE B 78 14.806 -7.472 2.110 1.00 0.73 C ATOM 3283 CZ PHE B 78 14.426 -6.719 3.203 1.00 0.76 C ATOM 0 H PHE B 78 19.962 -4.978 3.279 1.00 0.53 H new ATOM 0 HA PHE B 78 19.188 -7.675 2.343 1.00 0.51 H new ATOM 0 HB2 PHE B 78 18.372 -4.962 1.230 1.00 0.50 H new ATOM 0 HB3 PHE B 78 18.201 -6.459 0.336 1.00 0.50 H new ATOM 0 HD1 PHE B 78 17.151 -4.759 3.478 1.00 0.65 H new ATOM 0 HD2 PHE B 78 16.323 -7.842 0.659 1.00 0.62 H new ATOM 0 HE1 PHE B 78 14.972 -5.148 4.545 1.00 0.76 H new ATOM 0 HE2 PHE B 78 14.146 -8.235 1.723 1.00 0.73 H new ATOM 0 HZ PHE B 78 13.470 -6.895 3.674 1.00 0.76 H new ATOM 3293 N LEU B 79 20.841 -7.577 0.397 1.00 0.53 N ATOM 3294 CA LEU B 79 22.006 -7.645 -0.484 1.00 0.56 C ATOM 3295 C LEU B 79 21.737 -6.880 -1.779 1.00 0.54 C ATOM 3296 O LEU B 79 20.733 -7.124 -2.452 1.00 0.53 O ATOM 3297 CB LEU B 79 22.358 -9.109 -0.782 1.00 0.61 C ATOM 3298 CG LEU B 79 23.727 -9.340 -1.427 1.00 0.69 C ATOM 3299 CD1 LEU B 79 24.286 -10.696 -1.028 1.00 1.24 C ATOM 3300 CD2 LEU B 79 23.626 -9.238 -2.941 1.00 1.18 C ATOM 0 H LEU B 79 20.193 -8.358 0.297 1.00 0.53 H new ATOM 0 HA LEU B 79 22.855 -7.181 0.018 1.00 0.56 H new ATOM 0 HB2 LEU B 79 22.316 -9.672 0.151 1.00 0.61 H new ATOM 0 HB3 LEU B 79 21.592 -9.522 -1.438 1.00 0.61 H new ATOM 0 HG LEU B 79 24.407 -8.567 -1.069 1.00 0.69 H new ATOM 0 HD11 LEU B 79 25.259 -10.841 -1.497 1.00 1.24 H new ATOM 0 HD12 LEU B 79 24.395 -10.740 0.056 1.00 1.24 H new ATOM 0 HD13 LEU B 79 23.605 -11.481 -1.356 1.00 1.24 H new ATOM 0 HD21 LEU B 79 24.608 -9.405 -3.383 1.00 1.18 H new ATOM 0 HD22 LEU B 79 22.929 -9.990 -3.311 1.00 1.18 H new ATOM 0 HD23 LEU B 79 23.268 -8.246 -3.216 1.00 1.18 H new ATOM 3312 N GLU B 80 22.644 -5.968 -2.123 1.00 0.58 N ATOM 3313 CA GLU B 80 22.500 -5.137 -3.320 1.00 0.59 C ATOM 3314 C GLU B 80 22.630 -5.956 -4.608 1.00 0.60 C ATOM 3315 O GLU B 80 23.582 -6.725 -4.776 1.00 0.68 O ATOM 3316 CB GLU B 80 23.537 -4.005 -3.310 1.00 0.68 C ATOM 3317 CG GLU B 80 23.354 -3.001 -4.441 1.00 0.74 C ATOM 3318 CD GLU B 80 24.251 -1.788 -4.301 1.00 0.94 C ATOM 3319 OE1 GLU B 80 23.917 -0.881 -3.512 1.00 1.17 O ATOM 3320 OE2 GLU B 80 25.295 -1.727 -4.984 1.00 1.18 O ATOM 0 H GLU B 80 23.492 -5.784 -1.587 1.00 0.58 H new ATOM 0 HA GLU B 80 21.497 -4.711 -3.300 1.00 0.59 H new ATOM 0 HB2 GLU B 80 23.480 -3.480 -2.356 1.00 0.68 H new ATOM 0 HB3 GLU B 80 24.535 -4.437 -3.377 1.00 0.68 H new ATOM 0 HG2 GLU B 80 23.560 -3.491 -5.393 1.00 0.74 H new ATOM 0 HG3 GLU B 80 22.314 -2.677 -4.468 1.00 0.74 H new ATOM 3327 N ARG B 81 21.658 -5.787 -5.505 1.00 0.57 N ATOM 3328 CA ARG B 81 21.650 -6.479 -6.790 1.00 0.59 C ATOM 3329 C ARG B 81 20.991 -5.606 -7.863 1.00 0.60 C ATOM 3330 O ARG B 81 19.804 -5.290 -7.774 1.00 0.78 O ATOM 3331 CB ARG B 81 20.907 -7.813 -6.671 1.00 0.61 C ATOM 3332 CG ARG B 81 21.067 -8.709 -7.888 1.00 0.70 C ATOM 3333 CD ARG B 81 22.518 -9.121 -8.089 1.00 0.81 C ATOM 3334 NE ARG B 81 22.730 -9.805 -9.367 1.00 1.02 N ATOM 3335 CZ ARG B 81 23.860 -9.728 -10.080 1.00 1.21 C ATOM 3336 NH1 ARG B 81 24.905 -9.042 -9.615 1.00 1.34 N ATOM 3337 NH2 ARG B 81 23.951 -10.350 -11.251 1.00 1.47 N ATOM 0 H ARG B 81 20.859 -5.170 -5.361 1.00 0.57 H new ATOM 0 HA ARG B 81 22.682 -6.675 -7.082 1.00 0.59 H new ATOM 0 HB2 ARG B 81 21.268 -8.343 -5.790 1.00 0.61 H new ATOM 0 HB3 ARG B 81 19.847 -7.616 -6.512 1.00 0.61 H new ATOM 0 HG2 ARG B 81 20.448 -9.598 -7.770 1.00 0.70 H new ATOM 0 HG3 ARG B 81 20.709 -8.187 -8.775 1.00 0.70 H new ATOM 0 HD2 ARG B 81 23.154 -8.237 -8.043 1.00 0.81 H new ATOM 0 HD3 ARG B 81 22.823 -9.777 -7.274 1.00 0.81 H new ATOM 0 HE ARG B 81 21.969 -10.375 -9.736 1.00 1.02 H new ATOM 0 HH11 ARG B 81 24.846 -8.572 -8.711 1.00 1.34 H new ATOM 0 HH12 ARG B 81 25.764 -8.987 -10.163 1.00 1.34 H new ATOM 0 HH21 ARG B 81 23.159 -10.886 -11.607 1.00 1.47 H new ATOM 0 HH22 ARG B 81 24.812 -10.291 -11.794 1.00 1.47 H new ATOM 3351 N LEU B 82 21.759 -5.218 -8.875 1.00 0.60 N ATOM 3352 CA LEU B 82 21.243 -4.370 -9.953 1.00 0.61 C ATOM 3353 C LEU B 82 20.775 -5.213 -11.139 1.00 0.62 C ATOM 3354 O LEU B 82 21.372 -6.249 -11.443 1.00 0.67 O ATOM 3355 CB LEU B 82 22.317 -3.376 -10.411 1.00 0.65 C ATOM 3356 CG LEU B 82 22.855 -2.447 -9.319 1.00 0.70 C ATOM 3357 CD1 LEU B 82 23.921 -1.523 -9.887 1.00 0.79 C ATOM 3358 CD2 LEU B 82 21.724 -1.641 -8.692 1.00 0.77 C ATOM 0 H LEU B 82 22.741 -5.475 -8.975 1.00 0.60 H new ATOM 0 HA LEU B 82 20.387 -3.818 -9.564 1.00 0.61 H new ATOM 0 HB2 LEU B 82 23.152 -3.936 -10.832 1.00 0.65 H new ATOM 0 HB3 LEU B 82 21.905 -2.765 -11.214 1.00 0.65 H new ATOM 0 HG LEU B 82 23.308 -3.059 -8.539 1.00 0.70 H new ATOM 0 HD11 LEU B 82 24.293 -0.869 -9.098 1.00 0.79 H new ATOM 0 HD12 LEU B 82 24.744 -2.118 -10.284 1.00 0.79 H new ATOM 0 HD13 LEU B 82 23.491 -0.919 -10.686 1.00 0.79 H new ATOM 0 HD21 LEU B 82 22.128 -0.988 -7.919 1.00 0.77 H new ATOM 0 HD22 LEU B 82 21.238 -1.038 -9.459 1.00 0.77 H new ATOM 0 HD23 LEU B 82 20.996 -2.320 -8.249 1.00 0.77 H new ATOM 3370 N GLU B 83 19.703 -4.774 -11.796 1.00 0.63 N ATOM 3371 CA GLU B 83 19.171 -5.483 -12.956 1.00 0.64 C ATOM 3372 C GLU B 83 19.447 -4.693 -14.236 1.00 0.65 C ATOM 3373 O GLU B 83 19.328 -3.462 -14.254 1.00 0.64 O ATOM 3374 CB GLU B 83 17.666 -5.737 -12.806 1.00 0.65 C ATOM 3375 CG GLU B 83 17.111 -6.682 -13.864 1.00 0.76 C ATOM 3376 CD GLU B 83 15.623 -6.937 -13.727 1.00 0.77 C ATOM 3377 OE1 GLU B 83 14.827 -5.994 -13.924 1.00 0.80 O ATOM 3378 OE2 GLU B 83 15.240 -8.095 -13.463 1.00 0.93 O ATOM 0 H GLU B 83 19.187 -3.931 -11.544 1.00 0.63 H new ATOM 0 HA GLU B 83 19.674 -6.448 -13.020 1.00 0.64 H new ATOM 0 HB2 GLU B 83 17.471 -6.153 -11.818 1.00 0.65 H new ATOM 0 HB3 GLU B 83 17.136 -4.786 -12.862 1.00 0.65 H new ATOM 0 HG2 GLU B 83 17.311 -6.266 -14.852 1.00 0.76 H new ATOM 0 HG3 GLU B 83 17.641 -7.632 -13.805 1.00 0.76 H new ATOM 3385 N GLU B 84 19.792 -5.403 -15.309 1.00 0.69 N ATOM 3386 CA GLU B 84 20.091 -4.772 -16.597 1.00 0.72 C ATOM 3387 C GLU B 84 18.936 -3.878 -17.048 1.00 0.70 C ATOM 3388 O GLU B 84 19.137 -2.900 -17.770 1.00 0.80 O ATOM 3389 CB GLU B 84 20.383 -5.828 -17.669 1.00 0.78 C ATOM 3390 CG GLU B 84 19.224 -6.779 -17.937 1.00 0.83 C ATOM 3391 CD GLU B 84 19.269 -8.017 -17.066 1.00 0.95 C ATOM 3392 OE1 GLU B 84 19.042 -7.904 -15.845 1.00 1.05 O ATOM 3393 OE2 GLU B 84 19.528 -9.110 -17.601 1.00 1.15 O ATOM 0 H GLU B 84 19.872 -6.420 -15.313 1.00 0.69 H new ATOM 0 HA GLU B 84 20.979 -4.154 -16.464 1.00 0.72 H new ATOM 0 HB2 GLU B 84 20.647 -5.323 -18.598 1.00 0.78 H new ATOM 0 HB3 GLU B 84 21.253 -6.409 -17.364 1.00 0.78 H new ATOM 0 HG2 GLU B 84 18.283 -6.255 -17.768 1.00 0.83 H new ATOM 0 HG3 GLU B 84 19.239 -7.077 -18.985 1.00 0.83 H new ATOM 3400 N ASN B 85 17.728 -4.221 -16.611 1.00 0.69 N ATOM 3401 CA ASN B 85 16.524 -3.460 -16.939 1.00 0.68 C ATOM 3402 C ASN B 85 16.602 -2.023 -16.398 1.00 0.66 C ATOM 3403 O ASN B 85 15.746 -1.194 -16.711 1.00 0.76 O ATOM 3404 CB ASN B 85 15.300 -4.184 -16.367 1.00 0.69 C ATOM 3405 CG ASN B 85 13.963 -3.580 -16.782 1.00 0.73 C ATOM 3406 OD1 ASN B 85 13.002 -3.606 -16.009 1.00 0.83 O ATOM 3407 ND2 ASN B 85 13.873 -3.068 -18.003 1.00 0.79 N ATOM 0 H ASN B 85 17.555 -5.034 -16.020 1.00 0.69 H new ATOM 0 HA ASN B 85 16.437 -3.393 -18.023 1.00 0.68 H new ATOM 0 HB2 ASN B 85 15.328 -5.227 -16.684 1.00 0.69 H new ATOM 0 HB3 ASN B 85 15.365 -4.179 -15.279 1.00 0.69 H new ATOM 0 HD21 ASN B 85 12.988 -2.679 -18.329 1.00 0.79 H new ATOM 0 HD22 ASN B 85 14.689 -3.063 -18.615 1.00 0.79 H new ATOM 3414 N HIS B 86 17.631 -1.741 -15.585 1.00 0.64 N ATOM 3415 CA HIS B 86 17.846 -0.417 -14.999 1.00 0.63 C ATOM 3416 C HIS B 86 17.025 -0.269 -13.726 1.00 0.57 C ATOM 3417 O HIS B 86 16.281 0.699 -13.551 1.00 0.59 O ATOM 3418 CB HIS B 86 17.516 0.709 -15.995 1.00 0.67 C ATOM 3419 CG HIS B 86 17.992 2.060 -15.554 1.00 0.73 C ATOM 3420 ND1 HIS B 86 17.494 2.708 -14.446 1.00 0.97 N ATOM 3421 CD2 HIS B 86 18.925 2.886 -16.079 1.00 0.91 C ATOM 3422 CE1 HIS B 86 18.098 3.872 -14.308 1.00 0.97 C ATOM 3423 NE2 HIS B 86 18.971 4.008 -15.287 1.00 0.90 N ATOM 0 H HIS B 86 18.336 -2.428 -15.317 1.00 0.64 H new ATOM 0 HA HIS B 86 18.904 -0.328 -14.751 1.00 0.63 H new ATOM 0 HB2 HIS B 86 17.965 0.472 -16.960 1.00 0.67 H new ATOM 0 HB3 HIS B 86 16.437 0.745 -16.146 1.00 0.67 H new ATOM 0 HD1 HIS B 86 16.769 2.344 -13.827 1.00 0.97 H new ATOM 0 HD2 HIS B 86 19.523 2.699 -16.958 1.00 0.91 H new ATOM 0 HE1 HIS B 86 17.910 4.592 -13.526 1.00 0.97 H new ATOM 3432 N TYR B 87 17.163 -1.243 -12.836 1.00 0.55 N ATOM 3433 CA TYR B 87 16.441 -1.233 -11.574 1.00 0.52 C ATOM 3434 C TYR B 87 17.286 -1.860 -10.470 1.00 0.51 C ATOM 3435 O TYR B 87 18.171 -2.683 -10.741 1.00 0.55 O ATOM 3436 CB TYR B 87 15.101 -1.959 -11.718 1.00 0.52 C ATOM 3437 CG TYR B 87 14.132 -1.239 -12.631 1.00 0.53 C ATOM 3438 CD1 TYR B 87 13.259 -0.280 -12.134 1.00 0.53 C ATOM 3439 CD2 TYR B 87 14.102 -1.507 -13.994 1.00 0.67 C ATOM 3440 CE1 TYR B 87 12.388 0.393 -12.970 1.00 0.56 C ATOM 3441 CE2 TYR B 87 13.232 -0.841 -14.836 1.00 0.74 C ATOM 3442 CZ TYR B 87 12.377 0.107 -14.320 1.00 0.64 C ATOM 3443 OH TYR B 87 11.512 0.779 -15.162 1.00 0.73 O ATOM 0 H TYR B 87 17.771 -2.052 -12.967 1.00 0.55 H new ATOM 0 HA TYR B 87 16.238 -0.198 -11.298 1.00 0.52 H new ATOM 0 HB2 TYR B 87 15.278 -2.963 -12.104 1.00 0.52 H new ATOM 0 HB3 TYR B 87 14.648 -2.072 -10.733 1.00 0.52 H new ATOM 0 HD1 TYR B 87 13.261 -0.057 -11.077 1.00 0.53 H new ATOM 0 HD2 TYR B 87 14.771 -2.250 -14.403 1.00 0.67 H new ATOM 0 HE1 TYR B 87 11.719 1.140 -12.568 1.00 0.56 H new ATOM 0 HE2 TYR B 87 13.223 -1.063 -15.893 1.00 0.74 H new ATOM 0 HH TYR B 87 11.634 0.458 -16.080 1.00 0.73 H new ATOM 3453 N ASN B 88 17.009 -1.464 -9.237 1.00 0.48 N ATOM 3454 CA ASN B 88 17.740 -1.950 -8.077 1.00 0.49 C ATOM 3455 C ASN B 88 16.971 -3.049 -7.360 1.00 0.48 C ATOM 3456 O ASN B 88 15.771 -2.922 -7.103 1.00 0.55 O ATOM 3457 CB ASN B 88 18.011 -0.804 -7.092 1.00 0.51 C ATOM 3458 CG ASN B 88 19.197 0.061 -7.483 1.00 0.65 C ATOM 3459 OD1 ASN B 88 19.441 0.315 -8.662 1.00 0.86 O ATOM 3460 ND2 ASN B 88 19.937 0.528 -6.486 1.00 0.72 N ATOM 0 H ASN B 88 16.271 -0.797 -9.012 1.00 0.48 H new ATOM 0 HA ASN B 88 18.685 -2.357 -8.436 1.00 0.49 H new ATOM 0 HB2 ASN B 88 17.122 -0.178 -7.022 1.00 0.51 H new ATOM 0 HB3 ASN B 88 18.186 -1.221 -6.100 1.00 0.51 H new ATOM 0 HD21 ASN B 88 20.743 1.122 -6.683 1.00 0.72 H new ATOM 0 HD22 ASN B 88 19.700 0.294 -5.522 1.00 0.72 H new ATOM 3467 N THR B 89 17.675 -4.121 -7.040 1.00 0.51 N ATOM 3468 CA THR B 89 17.102 -5.248 -6.329 1.00 0.51 C ATOM 3469 C THR B 89 17.909 -5.486 -5.058 1.00 0.50 C ATOM 3470 O THR B 89 19.127 -5.282 -5.050 1.00 0.54 O ATOM 3471 CB THR B 89 17.104 -6.529 -7.192 1.00 0.56 C ATOM 3472 OG1 THR B 89 17.472 -6.219 -8.547 1.00 0.63 O ATOM 3473 CG2 THR B 89 15.736 -7.195 -7.172 1.00 0.66 C ATOM 0 H THR B 89 18.663 -4.233 -7.267 1.00 0.51 H new ATOM 0 HA THR B 89 16.065 -5.014 -6.088 1.00 0.51 H new ATOM 0 HB THR B 89 17.836 -7.219 -6.771 1.00 0.56 H new ATOM 0 HG1 THR B 89 18.434 -6.039 -8.592 1.00 0.63 H new ATOM 0 HG21 THR B 89 15.761 -8.095 -7.786 1.00 0.66 H new ATOM 0 HG22 THR B 89 15.476 -7.462 -6.148 1.00 0.66 H new ATOM 0 HG23 THR B 89 14.990 -6.506 -7.568 1.00 0.66 H new ATOM 3481 N TYR B 90 17.246 -5.891 -3.985 1.00 0.48 N ATOM 3482 CA TYR B 90 17.937 -6.128 -2.726 1.00 0.49 C ATOM 3483 C TYR B 90 17.530 -7.471 -2.129 1.00 0.50 C ATOM 3484 O TYR B 90 16.406 -7.637 -1.661 1.00 0.54 O ATOM 3485 CB TYR B 90 17.667 -4.973 -1.758 1.00 0.48 C ATOM 3486 CG TYR B 90 17.977 -3.620 -2.368 1.00 0.49 C ATOM 3487 CD1 TYR B 90 19.280 -3.279 -2.721 1.00 0.55 C ATOM 3488 CD2 TYR B 90 16.971 -2.695 -2.612 1.00 0.54 C ATOM 3489 CE1 TYR B 90 19.569 -2.054 -3.295 1.00 0.58 C ATOM 3490 CE2 TYR B 90 17.251 -1.472 -3.191 1.00 0.58 C ATOM 3491 CZ TYR B 90 18.552 -1.155 -3.528 1.00 0.56 C ATOM 3492 OH TYR B 90 18.837 0.065 -4.111 1.00 0.63 O ATOM 0 H TYR B 90 16.241 -6.061 -3.960 1.00 0.48 H new ATOM 0 HA TYR B 90 19.010 -6.171 -2.912 1.00 0.49 H new ATOM 0 HB2 TYR B 90 16.622 -4.998 -1.450 1.00 0.48 H new ATOM 0 HB3 TYR B 90 18.268 -5.109 -0.859 1.00 0.48 H new ATOM 0 HD1 TYR B 90 20.079 -3.983 -2.544 1.00 0.55 H new ATOM 0 HD2 TYR B 90 15.953 -2.935 -2.345 1.00 0.54 H new ATOM 0 HE1 TYR B 90 20.586 -1.804 -3.559 1.00 0.58 H new ATOM 0 HE2 TYR B 90 16.455 -0.767 -3.379 1.00 0.58 H new ATOM 0 HH TYR B 90 18.010 0.582 -4.208 1.00 0.63 H new ATOM 3502 N ILE B 91 18.456 -8.426 -2.161 1.00 0.52 N ATOM 3503 CA ILE B 91 18.197 -9.767 -1.649 1.00 0.55 C ATOM 3504 C ILE B 91 17.976 -9.747 -0.140 1.00 0.54 C ATOM 3505 O ILE B 91 18.760 -9.147 0.605 1.00 0.55 O ATOM 3506 CB ILE B 91 19.348 -10.746 -1.973 1.00 0.61 C ATOM 3507 CG1 ILE B 91 19.661 -10.737 -3.474 1.00 0.66 C ATOM 3508 CG2 ILE B 91 18.988 -12.152 -1.511 1.00 0.65 C ATOM 3509 CD1 ILE B 91 20.814 -11.640 -3.858 1.00 0.74 C ATOM 0 H ILE B 91 19.395 -8.294 -2.537 1.00 0.52 H new ATOM 0 HA ILE B 91 17.292 -10.115 -2.148 1.00 0.55 H new ATOM 0 HB ILE B 91 20.240 -10.420 -1.438 1.00 0.61 H new ATOM 0 HG12 ILE B 91 18.771 -11.044 -4.024 1.00 0.66 H new ATOM 0 HG13 ILE B 91 19.891 -9.717 -3.783 1.00 0.66 H new ATOM 0 HG21 ILE B 91 19.807 -12.833 -1.745 1.00 0.65 H new ATOM 0 HG22 ILE B 91 18.815 -12.148 -0.435 1.00 0.65 H new ATOM 0 HG23 ILE B 91 18.084 -12.483 -2.022 1.00 0.65 H new ATOM 0 HD11 ILE B 91 20.978 -11.583 -4.934 1.00 0.74 H new ATOM 0 HD12 ILE B 91 21.716 -11.321 -3.336 1.00 0.74 H new ATOM 0 HD13 ILE B 91 20.579 -12.668 -3.581 1.00 0.74 H new ATOM 3521 N SER B 92 16.926 -10.424 0.307 1.00 0.58 N ATOM 3522 CA SER B 92 16.599 -10.488 1.721 1.00 0.60 C ATOM 3523 C SER B 92 17.566 -11.434 2.418 1.00 0.59 C ATOM 3524 O SER B 92 17.221 -12.573 2.732 1.00 0.64 O ATOM 3525 CB SER B 92 15.152 -10.964 1.908 1.00 0.69 C ATOM 3526 OG SER B 92 14.575 -10.432 3.088 1.00 1.22 O ATOM 0 H SER B 92 16.284 -10.939 -0.296 1.00 0.58 H new ATOM 0 HA SER B 92 16.691 -9.495 2.161 1.00 0.60 H new ATOM 0 HB2 SER B 92 14.556 -10.666 1.045 1.00 0.69 H new ATOM 0 HB3 SER B 92 15.129 -12.053 1.951 1.00 0.69 H new ATOM 0 HG SER B 92 13.639 -10.197 2.917 1.00 1.22 H new ATOM 3532 N LYS B 93 18.791 -10.969 2.637 1.00 0.61 N ATOM 3533 CA LYS B 93 19.814 -11.785 3.286 1.00 0.66 C ATOM 3534 C LYS B 93 19.242 -12.520 4.495 1.00 0.67 C ATOM 3535 O LYS B 93 19.546 -13.690 4.721 1.00 0.72 O ATOM 3536 CB LYS B 93 21.007 -10.924 3.712 1.00 0.76 C ATOM 3537 CG LYS B 93 22.084 -11.694 4.461 1.00 0.92 C ATOM 3538 CD LYS B 93 22.717 -12.771 3.594 1.00 0.97 C ATOM 3539 CE LYS B 93 23.718 -12.191 2.604 1.00 1.03 C ATOM 3540 NZ LYS B 93 24.934 -11.659 3.280 1.00 1.09 N ATOM 0 H LYS B 93 19.101 -10.033 2.376 1.00 0.61 H new ATOM 0 HA LYS B 93 20.157 -12.524 2.562 1.00 0.66 H new ATOM 0 HB2 LYS B 93 21.449 -10.468 2.826 1.00 0.76 H new ATOM 0 HB3 LYS B 93 20.649 -10.111 4.344 1.00 0.76 H new ATOM 0 HG2 LYS B 93 22.855 -11.002 4.801 1.00 0.92 H new ATOM 0 HG3 LYS B 93 21.651 -12.152 5.350 1.00 0.92 H new ATOM 0 HD2 LYS B 93 23.218 -13.501 4.230 1.00 0.97 H new ATOM 0 HD3 LYS B 93 21.937 -13.304 3.051 1.00 0.97 H new ATOM 0 HE2 LYS B 93 24.009 -12.962 1.890 1.00 1.03 H new ATOM 0 HE3 LYS B 93 23.242 -11.393 2.034 1.00 1.03 H new ATOM 0 HZ1 LYS B 93 25.749 -11.733 2.638 1.00 1.09 H new ATOM 0 HZ2 LYS B 93 24.782 -10.662 3.533 1.00 1.09 H new ATOM 0 HZ3 LYS B 93 25.122 -12.210 4.142 1.00 1.09 H new ATOM 3554 N LYS B 94 18.399 -11.837 5.259 1.00 0.66 N ATOM 3555 CA LYS B 94 17.792 -12.432 6.444 1.00 0.71 C ATOM 3556 C LYS B 94 16.905 -13.633 6.091 1.00 0.71 C ATOM 3557 O LYS B 94 16.669 -14.494 6.939 1.00 0.80 O ATOM 3558 CB LYS B 94 16.982 -11.382 7.213 1.00 0.74 C ATOM 3559 CG LYS B 94 16.206 -11.943 8.394 1.00 0.80 C ATOM 3560 CD LYS B 94 17.109 -12.654 9.391 1.00 0.88 C ATOM 3561 CE LYS B 94 16.301 -13.438 10.419 1.00 1.00 C ATOM 3562 NZ LYS B 94 15.366 -12.570 11.186 1.00 1.03 N ATOM 0 H LYS B 94 18.120 -10.872 5.080 1.00 0.66 H new ATOM 0 HA LYS B 94 18.601 -12.795 7.078 1.00 0.71 H new ATOM 0 HB2 LYS B 94 17.659 -10.607 7.572 1.00 0.74 H new ATOM 0 HB3 LYS B 94 16.283 -10.903 6.527 1.00 0.74 H new ATOM 0 HG2 LYS B 94 15.679 -11.133 8.898 1.00 0.80 H new ATOM 0 HG3 LYS B 94 15.449 -12.639 8.032 1.00 0.80 H new ATOM 0 HD2 LYS B 94 17.777 -13.331 8.859 1.00 0.88 H new ATOM 0 HD3 LYS B 94 17.736 -11.923 9.901 1.00 0.88 H new ATOM 0 HE2 LYS B 94 15.735 -14.220 9.913 1.00 1.00 H new ATOM 0 HE3 LYS B 94 16.982 -13.935 11.110 1.00 1.00 H new ATOM 0 HZ1 LYS B 94 15.097 -13.046 12.070 1.00 1.03 H new ATOM 0 HZ2 LYS B 94 15.833 -11.667 11.407 1.00 1.03 H new ATOM 0 HZ3 LYS B 94 14.514 -12.389 10.617 1.00 1.03 H new ATOM 3576 N HIS B 95 16.412 -13.700 4.854 1.00 0.67 N ATOM 3577 CA HIS B 95 15.554 -14.810 4.451 1.00 0.72 C ATOM 3578 C HIS B 95 15.881 -15.335 3.056 1.00 0.70 C ATOM 3579 O HIS B 95 15.004 -15.879 2.378 1.00 0.77 O ATOM 3580 CB HIS B 95 14.082 -14.405 4.524 1.00 0.83 C ATOM 3581 CG HIS B 95 13.580 -14.303 5.923 1.00 1.05 C ATOM 3582 ND1 HIS B 95 13.331 -15.402 6.713 1.00 1.25 N ATOM 3583 CD2 HIS B 95 13.311 -13.223 6.684 1.00 1.35 C ATOM 3584 CE1 HIS B 95 12.930 -14.999 7.903 1.00 1.52 C ATOM 3585 NE2 HIS B 95 12.910 -13.680 7.912 1.00 1.58 N ATOM 0 H HIS B 95 16.589 -13.009 4.125 1.00 0.67 H new ATOM 0 HA HIS B 95 15.746 -15.621 5.154 1.00 0.72 H new ATOM 0 HB2 HIS B 95 13.949 -13.446 4.024 1.00 0.83 H new ATOM 0 HB3 HIS B 95 13.482 -15.134 3.980 1.00 0.83 H new ATOM 0 HD1 HIS B 95 13.439 -16.374 6.424 1.00 1.25 H new ATOM 0 HD2 HIS B 95 13.396 -12.190 6.382 1.00 1.35 H new ATOM 0 HE1 HIS B 95 12.663 -15.640 8.730 1.00 1.52 H new ATOM 3594 N ALA B 96 17.135 -15.188 2.622 1.00 0.69 N ATOM 3595 CA ALA B 96 17.542 -15.704 1.314 1.00 0.72 C ATOM 3596 C ALA B 96 17.102 -17.161 1.205 1.00 0.74 C ATOM 3597 O ALA B 96 16.761 -17.649 0.128 1.00 0.79 O ATOM 3598 CB ALA B 96 19.046 -15.568 1.114 1.00 0.77 C ATOM 0 H ALA B 96 17.875 -14.724 3.148 1.00 0.69 H new ATOM 0 HA ALA B 96 17.063 -15.120 0.528 1.00 0.72 H new ATOM 0 HB1 ALA B 96 19.320 -15.959 0.134 1.00 0.77 H new ATOM 0 HB2 ALA B 96 19.328 -14.517 1.177 1.00 0.77 H new ATOM 0 HB3 ALA B 96 19.568 -16.130 1.888 1.00 0.77 H new ATOM 3604 N GLU B 97 17.117 -17.835 2.355 1.00 0.75 N ATOM 3605 CA GLU B 97 16.674 -19.220 2.486 1.00 0.81 C ATOM 3606 C GLU B 97 15.441 -19.497 1.625 1.00 0.79 C ATOM 3607 O GLU B 97 15.407 -20.469 0.866 1.00 0.86 O ATOM 3608 CB GLU B 97 16.336 -19.507 3.958 1.00 0.91 C ATOM 3609 CG GLU B 97 15.925 -18.262 4.741 1.00 1.11 C ATOM 3610 CD GLU B 97 14.936 -18.541 5.853 1.00 1.34 C ATOM 3611 OE1 GLU B 97 15.151 -19.495 6.624 1.00 1.64 O ATOM 3612 OE2 GLU B 97 13.945 -17.789 5.971 1.00 1.62 O ATOM 0 H GLU B 97 17.442 -17.428 3.232 1.00 0.75 H new ATOM 0 HA GLU B 97 17.481 -19.869 2.146 1.00 0.81 H new ATOM 0 HB2 GLU B 97 15.528 -20.237 4.002 1.00 0.91 H new ATOM 0 HB3 GLU B 97 17.202 -19.961 4.440 1.00 0.91 H new ATOM 0 HG2 GLU B 97 16.816 -17.801 5.167 1.00 1.11 H new ATOM 0 HG3 GLU B 97 15.489 -17.538 4.052 1.00 1.11 H new ATOM 3619 N LYS B 98 14.441 -18.625 1.733 1.00 0.75 N ATOM 3620 CA LYS B 98 13.198 -18.789 0.989 1.00 0.78 C ATOM 3621 C LYS B 98 13.195 -17.975 -0.309 1.00 0.77 C ATOM 3622 O LYS B 98 12.137 -17.720 -0.885 1.00 0.82 O ATOM 3623 CB LYS B 98 12.012 -18.406 1.879 1.00 0.81 C ATOM 3624 CG LYS B 98 11.809 -19.363 3.045 1.00 0.85 C ATOM 3625 CD LYS B 98 11.350 -18.639 4.300 1.00 0.92 C ATOM 3626 CE LYS B 98 11.517 -19.509 5.540 1.00 1.04 C ATOM 3627 NZ LYS B 98 10.547 -20.637 5.583 1.00 1.32 N ATOM 0 H LYS B 98 14.469 -17.798 2.329 1.00 0.75 H new ATOM 0 HA LYS B 98 13.109 -19.837 0.703 1.00 0.78 H new ATOM 0 HB2 LYS B 98 12.166 -17.399 2.266 1.00 0.81 H new ATOM 0 HB3 LYS B 98 11.105 -18.381 1.275 1.00 0.81 H new ATOM 0 HG2 LYS B 98 11.072 -20.117 2.771 1.00 0.85 H new ATOM 0 HG3 LYS B 98 12.742 -19.889 3.250 1.00 0.85 H new ATOM 0 HD2 LYS B 98 11.922 -17.719 4.420 1.00 0.92 H new ATOM 0 HD3 LYS B 98 10.304 -18.352 4.194 1.00 0.92 H new ATOM 0 HE2 LYS B 98 12.532 -19.906 5.567 1.00 1.04 H new ATOM 0 HE3 LYS B 98 11.392 -18.893 6.431 1.00 1.04 H new ATOM 0 HZ1 LYS B 98 10.703 -21.197 6.445 1.00 1.32 H new ATOM 0 HZ2 LYS B 98 9.577 -20.261 5.585 1.00 1.32 H new ATOM 0 HZ3 LYS B 98 10.681 -21.243 4.748 1.00 1.32 H new ATOM 3641 N ASN B 99 14.382 -17.577 -0.771 1.00 0.75 N ATOM 3642 CA ASN B 99 14.522 -16.816 -2.012 1.00 0.78 C ATOM 3643 C ASN B 99 13.822 -15.454 -1.941 1.00 0.75 C ATOM 3644 O ASN B 99 13.495 -14.869 -2.977 1.00 0.79 O ATOM 3645 CB ASN B 99 13.959 -17.630 -3.184 1.00 0.89 C ATOM 3646 CG ASN B 99 14.965 -17.818 -4.301 1.00 1.04 C ATOM 3647 OD1 ASN B 99 15.050 -17.008 -5.224 1.00 1.08 O ATOM 3648 ND2 ASN B 99 15.722 -18.899 -4.240 1.00 1.44 N ATOM 0 H ASN B 99 15.265 -17.771 -0.300 1.00 0.75 H new ATOM 0 HA ASN B 99 15.585 -16.628 -2.163 1.00 0.78 H new ATOM 0 HB2 ASN B 99 13.638 -18.606 -2.822 1.00 0.89 H new ATOM 0 HB3 ASN B 99 13.075 -17.129 -3.577 1.00 0.89 H new ATOM 0 HD21 ASN B 99 16.406 -19.085 -4.974 1.00 1.44 H new ATOM 0 HD22 ASN B 99 15.623 -19.548 -3.459 1.00 1.44 H new ATOM 3655 N TRP B 100 13.621 -14.942 -0.729 1.00 0.71 N ATOM 3656 CA TRP B 100 12.951 -13.656 -0.544 1.00 0.70 C ATOM 3657 C TRP B 100 13.919 -12.487 -0.735 1.00 0.66 C ATOM 3658 O TRP B 100 15.138 -12.631 -0.559 1.00 0.71 O ATOM 3659 CB TRP B 100 12.314 -13.587 0.846 1.00 0.76 C ATOM 3660 CG TRP B 100 11.131 -14.497 1.009 1.00 0.78 C ATOM 3661 CD1 TRP B 100 10.370 -15.037 0.011 1.00 0.83 C ATOM 3662 CD2 TRP B 100 10.566 -14.962 2.242 1.00 0.81 C ATOM 3663 NE1 TRP B 100 9.374 -15.813 0.546 1.00 0.86 N ATOM 3664 CE2 TRP B 100 9.470 -15.785 1.911 1.00 0.84 C ATOM 3665 CE3 TRP B 100 10.879 -14.773 3.592 1.00 0.87 C ATOM 3666 CZ2 TRP B 100 8.688 -16.407 2.881 1.00 0.89 C ATOM 3667 CZ3 TRP B 100 10.101 -15.391 4.553 1.00 0.95 C ATOM 3668 CH2 TRP B 100 9.019 -16.203 4.192 1.00 0.94 C ATOM 0 H TRP B 100 13.911 -15.396 0.137 1.00 0.71 H new ATOM 0 HA TRP B 100 12.172 -13.575 -1.302 1.00 0.70 H new ATOM 0 HB2 TRP B 100 13.065 -13.843 1.594 1.00 0.76 H new ATOM 0 HB3 TRP B 100 12.003 -12.561 1.044 1.00 0.76 H new ATOM 0 HD1 TRP B 100 10.530 -14.876 -1.045 1.00 0.83 H new ATOM 0 HE1 TRP B 100 8.674 -16.328 0.012 1.00 0.86 H new ATOM 0 HE3 TRP B 100 11.716 -14.154 3.879 1.00 0.87 H new ATOM 0 HZ2 TRP B 100 7.849 -17.029 2.607 1.00 0.89 H new ATOM 0 HZ3 TRP B 100 10.331 -15.245 5.598 1.00 0.95 H new ATOM 0 HH2 TRP B 100 8.434 -16.678 4.965 1.00 0.94 H new ATOM 3679 N PHE B 101 13.365 -11.327 -1.088 1.00 0.66 N ATOM 3680 CA PHE B 101 14.157 -10.124 -1.311 1.00 0.65 C ATOM 3681 C PHE B 101 13.271 -8.880 -1.430 1.00 0.60 C ATOM 3682 O PHE B 101 13.147 -8.284 -2.498 1.00 0.83 O ATOM 3683 CB PHE B 101 15.078 -10.283 -2.533 1.00 0.72 C ATOM 3684 CG PHE B 101 14.388 -10.590 -3.837 1.00 0.70 C ATOM 3685 CD1 PHE B 101 13.699 -11.776 -4.021 1.00 0.85 C ATOM 3686 CD2 PHE B 101 14.455 -9.691 -4.890 1.00 0.87 C ATOM 3687 CE1 PHE B 101 13.084 -12.057 -5.226 1.00 1.03 C ATOM 3688 CE2 PHE B 101 13.843 -9.968 -6.098 1.00 1.02 C ATOM 3689 CZ PHE B 101 13.157 -11.153 -6.265 1.00 1.06 C ATOM 0 H PHE B 101 12.363 -11.198 -1.226 1.00 0.66 H new ATOM 0 HA PHE B 101 14.793 -9.982 -0.437 1.00 0.65 H new ATOM 0 HB2 PHE B 101 15.652 -9.364 -2.654 1.00 0.72 H new ATOM 0 HB3 PHE B 101 15.792 -11.080 -2.325 1.00 0.72 H new ATOM 0 HD1 PHE B 101 13.641 -12.490 -3.213 1.00 0.85 H new ATOM 0 HD2 PHE B 101 14.992 -8.762 -4.765 1.00 0.87 H new ATOM 0 HE1 PHE B 101 12.546 -12.985 -5.354 1.00 1.03 H new ATOM 0 HE2 PHE B 101 13.902 -9.258 -6.910 1.00 1.02 H new ATOM 0 HZ PHE B 101 12.678 -11.373 -7.208 1.00 1.06 H new ATOM 3699 N VAL B 102 12.637 -8.530 -0.309 1.00 0.59 N ATOM 3700 CA VAL B 102 11.774 -7.352 -0.193 1.00 0.53 C ATOM 3701 C VAL B 102 10.784 -7.204 -1.358 1.00 0.53 C ATOM 3702 O VAL B 102 11.020 -6.463 -2.313 1.00 0.61 O ATOM 3703 CB VAL B 102 12.599 -6.047 -0.020 1.00 0.53 C ATOM 3704 CG1 VAL B 102 13.626 -5.873 -1.131 1.00 0.58 C ATOM 3705 CG2 VAL B 102 11.684 -4.831 0.059 1.00 0.53 C ATOM 0 H VAL B 102 12.710 -9.065 0.557 1.00 0.59 H new ATOM 0 HA VAL B 102 11.184 -7.516 0.708 1.00 0.53 H new ATOM 0 HB VAL B 102 13.144 -6.133 0.920 1.00 0.53 H new ATOM 0 HG11 VAL B 102 14.181 -4.948 -0.972 1.00 0.58 H new ATOM 0 HG12 VAL B 102 14.316 -6.716 -1.124 1.00 0.58 H new ATOM 0 HG13 VAL B 102 13.117 -5.829 -2.094 1.00 0.58 H new ATOM 0 HG21 VAL B 102 12.286 -3.930 0.180 1.00 0.53 H new ATOM 0 HG22 VAL B 102 11.099 -4.756 -0.857 1.00 0.53 H new ATOM 0 HG23 VAL B 102 11.012 -4.936 0.911 1.00 0.53 H new ATOM 3715 N GLY B 103 9.663 -7.909 -1.256 1.00 0.57 N ATOM 3716 CA GLY B 103 8.634 -7.828 -2.276 1.00 0.63 C ATOM 3717 C GLY B 103 7.562 -6.817 -1.908 1.00 0.55 C ATOM 3718 O GLY B 103 6.749 -7.067 -1.014 1.00 0.59 O ATOM 0 H GLY B 103 9.448 -8.538 -0.482 1.00 0.57 H new ATOM 0 HA2 GLY B 103 9.086 -7.550 -3.228 1.00 0.63 H new ATOM 0 HA3 GLY B 103 8.179 -8.809 -2.413 1.00 0.63 H new ATOM 3722 N LEU B 104 7.553 -5.671 -2.586 1.00 0.52 N ATOM 3723 CA LEU B 104 6.578 -4.621 -2.295 1.00 0.49 C ATOM 3724 C LEU B 104 5.605 -4.400 -3.451 1.00 0.44 C ATOM 3725 O LEU B 104 5.805 -4.905 -4.557 1.00 0.55 O ATOM 3726 CB LEU B 104 7.294 -3.304 -1.957 1.00 0.58 C ATOM 3727 CG LEU B 104 8.146 -2.689 -3.078 1.00 0.66 C ATOM 3728 CD1 LEU B 104 7.270 -2.089 -4.171 1.00 0.76 C ATOM 3729 CD2 LEU B 104 9.082 -1.632 -2.509 1.00 0.85 C ATOM 0 H LEU B 104 8.206 -5.446 -3.337 1.00 0.52 H new ATOM 0 HA LEU B 104 5.998 -4.953 -1.434 1.00 0.49 H new ATOM 0 HB2 LEU B 104 6.543 -2.573 -1.657 1.00 0.58 H new ATOM 0 HB3 LEU B 104 7.936 -3.475 -1.093 1.00 0.58 H new ATOM 0 HG LEU B 104 8.741 -3.485 -3.525 1.00 0.66 H new ATOM 0 HD11 LEU B 104 7.902 -1.662 -4.950 1.00 0.76 H new ATOM 0 HD12 LEU B 104 6.640 -2.868 -4.601 1.00 0.76 H new ATOM 0 HD13 LEU B 104 6.641 -1.308 -3.745 1.00 0.76 H new ATOM 0 HD21 LEU B 104 9.680 -1.204 -3.314 1.00 0.85 H new ATOM 0 HD22 LEU B 104 8.496 -0.845 -2.034 1.00 0.85 H new ATOM 0 HD23 LEU B 104 9.741 -2.089 -1.771 1.00 0.85 H new ATOM 3741 N LYS B 105 4.543 -3.651 -3.172 1.00 0.43 N ATOM 3742 CA LYS B 105 3.531 -3.324 -4.165 1.00 0.41 C ATOM 3743 C LYS B 105 3.282 -1.820 -4.160 1.00 0.41 C ATOM 3744 O LYS B 105 2.491 -1.315 -3.363 1.00 0.47 O ATOM 3745 CB LYS B 105 2.228 -4.075 -3.885 1.00 0.50 C ATOM 3746 CG LYS B 105 2.316 -5.572 -4.129 1.00 0.64 C ATOM 3747 CD LYS B 105 1.294 -6.029 -5.156 1.00 0.94 C ATOM 3748 CE LYS B 105 -0.130 -5.769 -4.688 1.00 1.25 C ATOM 3749 NZ LYS B 105 -1.072 -5.644 -5.829 1.00 1.39 N ATOM 0 H LYS B 105 4.362 -3.254 -2.250 1.00 0.43 H new ATOM 0 HA LYS B 105 3.892 -3.630 -5.147 1.00 0.41 H new ATOM 0 HB2 LYS B 105 1.936 -3.902 -2.849 1.00 0.50 H new ATOM 0 HB3 LYS B 105 1.439 -3.660 -4.512 1.00 0.50 H new ATOM 0 HG2 LYS B 105 3.318 -5.827 -4.473 1.00 0.64 H new ATOM 0 HG3 LYS B 105 2.155 -6.105 -3.192 1.00 0.64 H new ATOM 0 HD2 LYS B 105 1.468 -5.509 -6.098 1.00 0.94 H new ATOM 0 HD3 LYS B 105 1.424 -7.094 -5.350 1.00 0.94 H new ATOM 0 HE2 LYS B 105 -0.453 -6.582 -4.038 1.00 1.25 H new ATOM 0 HE3 LYS B 105 -0.156 -4.856 -4.094 1.00 1.25 H new ATOM 0 HZ1 LYS B 105 -2.029 -5.450 -5.470 1.00 1.39 H new ATOM 0 HZ2 LYS B 105 -0.769 -4.863 -6.445 1.00 1.39 H new ATOM 0 HZ3 LYS B 105 -1.079 -6.531 -6.372 1.00 1.39 H new ATOM 3763 N LYS B 106 3.957 -1.111 -5.058 1.00 0.49 N ATOM 3764 CA LYS B 106 3.830 0.343 -5.153 1.00 0.59 C ATOM 3765 C LYS B 106 2.366 0.796 -5.273 1.00 0.52 C ATOM 3766 O LYS B 106 2.048 1.957 -4.989 1.00 0.61 O ATOM 3767 CB LYS B 106 4.636 0.868 -6.339 1.00 0.80 C ATOM 3768 CG LYS B 106 4.697 2.383 -6.394 1.00 1.25 C ATOM 3769 CD LYS B 106 5.200 2.878 -7.736 1.00 1.43 C ATOM 3770 CE LYS B 106 4.318 2.391 -8.875 1.00 1.68 C ATOM 3771 NZ LYS B 106 4.870 2.756 -10.199 1.00 1.67 N ATOM 0 H LYS B 106 4.601 -1.520 -5.735 1.00 0.49 H new ATOM 0 HA LYS B 106 4.226 0.760 -4.227 1.00 0.59 H new ATOM 0 HB2 LYS B 106 5.650 0.471 -6.286 1.00 0.80 H new ATOM 0 HB3 LYS B 106 4.196 0.494 -7.264 1.00 0.80 H new ATOM 0 HG2 LYS B 106 3.706 2.794 -6.203 1.00 1.25 H new ATOM 0 HG3 LYS B 106 5.351 2.749 -5.603 1.00 1.25 H new ATOM 0 HD2 LYS B 106 5.228 3.968 -7.736 1.00 1.43 H new ATOM 0 HD3 LYS B 106 6.222 2.533 -7.893 1.00 1.43 H new ATOM 0 HE2 LYS B 106 4.211 1.308 -8.813 1.00 1.68 H new ATOM 0 HE3 LYS B 106 3.320 2.817 -8.768 1.00 1.68 H new ATOM 0 HZ1 LYS B 106 4.238 2.405 -10.947 1.00 1.67 H new ATOM 0 HZ2 LYS B 106 4.949 3.791 -10.269 1.00 1.67 H new ATOM 0 HZ3 LYS B 106 5.811 2.329 -10.312 1.00 1.67 H new ATOM 3785 N ASN B 107 1.476 -0.104 -5.696 1.00 0.51 N ATOM 3786 CA ASN B 107 0.061 0.236 -5.828 1.00 0.57 C ATOM 3787 C ASN B 107 -0.647 0.211 -4.467 1.00 0.54 C ATOM 3788 O ASN B 107 -1.854 0.440 -4.389 1.00 0.71 O ATOM 3789 CB ASN B 107 -0.646 -0.706 -6.820 1.00 0.75 C ATOM 3790 CG ASN B 107 -1.076 -2.028 -6.198 1.00 0.81 C ATOM 3791 OD1 ASN B 107 -0.330 -2.642 -5.431 1.00 0.85 O ATOM 3792 ND2 ASN B 107 -2.279 -2.478 -6.529 1.00 1.11 N ATOM 0 H ASN B 107 1.708 -1.064 -5.950 1.00 0.51 H new ATOM 0 HA ASN B 107 0.005 1.251 -6.221 1.00 0.57 H new ATOM 0 HB2 ASN B 107 -1.523 -0.202 -7.226 1.00 0.75 H new ATOM 0 HB3 ASN B 107 0.022 -0.907 -7.657 1.00 0.75 H new ATOM 0 HD21 ASN B 107 -2.616 -3.361 -6.146 1.00 1.11 H new ATOM 0 HD22 ASN B 107 -2.867 -1.941 -7.167 1.00 1.11 H new ATOM 3799 N GLY B 108 0.099 -0.069 -3.396 1.00 0.65 N ATOM 3800 CA GLY B 108 -0.491 -0.098 -2.074 1.00 0.75 C ATOM 3801 C GLY B 108 0.536 0.053 -0.969 1.00 0.73 C ATOM 3802 O GLY B 108 0.468 0.994 -0.178 1.00 1.18 O ATOM 0 H GLY B 108 1.098 -0.275 -3.425 1.00 0.65 H new ATOM 0 HA2 GLY B 108 -1.227 0.702 -1.992 1.00 0.75 H new ATOM 0 HA3 GLY B 108 -1.026 -1.038 -1.940 1.00 0.75 H new ATOM 3806 N SER B 109 1.494 -0.867 -0.918 1.00 0.52 N ATOM 3807 CA SER B 109 2.533 -0.843 0.105 1.00 0.46 C ATOM 3808 C SER B 109 3.498 -2.016 -0.085 1.00 0.39 C ATOM 3809 O SER B 109 3.338 -2.830 -1.001 1.00 0.45 O ATOM 3810 CB SER B 109 1.901 -0.891 1.507 1.00 0.56 C ATOM 3811 OG SER B 109 2.886 -0.796 2.532 1.00 0.55 O ATOM 0 H SER B 109 1.572 -1.642 -1.577 1.00 0.52 H new ATOM 0 HA SER B 109 3.095 0.086 0.007 1.00 0.46 H new ATOM 0 HB2 SER B 109 1.186 -0.075 1.612 1.00 0.56 H new ATOM 0 HB3 SER B 109 1.343 -1.820 1.623 1.00 0.56 H new ATOM 0 HG SER B 109 2.870 0.104 2.918 1.00 0.55 H new ATOM 3817 N CYS B 110 4.499 -2.094 0.778 1.00 0.41 N ATOM 3818 CA CYS B 110 5.493 -3.157 0.719 1.00 0.43 C ATOM 3819 C CYS B 110 5.092 -4.320 1.627 1.00 0.46 C ATOM 3820 O CYS B 110 5.101 -4.189 2.853 1.00 0.57 O ATOM 3821 CB CYS B 110 6.872 -2.610 1.112 1.00 0.55 C ATOM 3822 SG CYS B 110 6.846 -1.459 2.508 1.00 0.78 S ATOM 0 H CYS B 110 4.646 -1.427 1.535 1.00 0.41 H new ATOM 0 HA CYS B 110 5.546 -3.531 -0.303 1.00 0.43 H new ATOM 0 HB2 CYS B 110 7.525 -3.447 1.358 1.00 0.55 H new ATOM 0 HB3 CYS B 110 7.310 -2.107 0.250 1.00 0.55 H new ATOM 0 HG CYS B 110 6.608 -2.113 3.606 1.00 0.78 H new ATOM 3828 N LYS B 111 4.703 -5.441 1.022 1.00 0.48 N ATOM 3829 CA LYS B 111 4.305 -6.630 1.777 1.00 0.54 C ATOM 3830 C LYS B 111 3.868 -7.760 0.841 1.00 0.51 C ATOM 3831 O LYS B 111 2.673 -7.998 0.633 1.00 0.63 O ATOM 3832 CB LYS B 111 3.191 -6.308 2.787 1.00 0.66 C ATOM 3833 CG LYS B 111 1.984 -5.585 2.201 1.00 0.70 C ATOM 3834 CD LYS B 111 2.061 -4.078 2.420 1.00 0.81 C ATOM 3835 CE LYS B 111 2.236 -3.721 3.892 1.00 0.90 C ATOM 3836 NZ LYS B 111 3.332 -2.734 4.097 1.00 0.98 N ATOM 0 H LYS B 111 4.655 -5.552 0.009 1.00 0.48 H new ATOM 0 HA LYS B 111 5.179 -6.966 2.334 1.00 0.54 H new ATOM 0 HB2 LYS B 111 2.853 -7.239 3.242 1.00 0.66 H new ATOM 0 HB3 LYS B 111 3.610 -5.696 3.586 1.00 0.66 H new ATOM 0 HG2 LYS B 111 1.919 -5.794 1.133 1.00 0.70 H new ATOM 0 HG3 LYS B 111 1.073 -5.972 2.657 1.00 0.70 H new ATOM 0 HD2 LYS B 111 2.894 -3.671 1.847 1.00 0.81 H new ATOM 0 HD3 LYS B 111 1.153 -3.610 2.039 1.00 0.81 H new ATOM 0 HE2 LYS B 111 1.303 -3.313 4.280 1.00 0.90 H new ATOM 0 HE3 LYS B 111 2.450 -4.625 4.462 1.00 0.90 H new ATOM 0 HZ1 LYS B 111 3.353 -2.441 5.095 1.00 0.98 H new ATOM 0 HZ2 LYS B 111 4.242 -3.169 3.845 1.00 0.98 H new ATOM 0 HZ3 LYS B 111 3.167 -1.902 3.495 1.00 0.98 H new ATOM 3850 N ARG B 112 4.844 -8.433 0.246 1.00 0.53 N ATOM 3851 CA ARG B 112 4.565 -9.541 -0.661 1.00 0.55 C ATOM 3852 C ARG B 112 5.590 -10.666 -0.491 1.00 0.64 C ATOM 3853 O ARG B 112 5.783 -11.464 -1.404 1.00 1.06 O ATOM 3854 CB ARG B 112 4.557 -9.046 -2.118 1.00 0.69 C ATOM 3855 CG ARG B 112 3.558 -7.921 -2.393 1.00 0.76 C ATOM 3856 CD ARG B 112 2.146 -8.446 -2.639 1.00 0.85 C ATOM 3857 NE ARG B 112 1.657 -9.264 -1.532 1.00 0.81 N ATOM 3858 CZ ARG B 112 0.838 -10.312 -1.680 1.00 0.97 C ATOM 3859 NH1 ARG B 112 0.241 -10.555 -2.849 1.00 1.13 N ATOM 3860 NH2 ARG B 112 0.566 -11.089 -0.640 1.00 1.11 N ATOM 0 H ARG B 112 5.836 -8.232 0.374 1.00 0.53 H new ATOM 0 HA ARG B 112 3.581 -9.940 -0.415 1.00 0.55 H new ATOM 0 HB2 ARG B 112 5.557 -8.700 -2.378 1.00 0.69 H new ATOM 0 HB3 ARG B 112 4.330 -9.886 -2.774 1.00 0.69 H new ATOM 0 HG2 ARG B 112 3.545 -7.235 -1.546 1.00 0.76 H new ATOM 0 HG3 ARG B 112 3.887 -7.350 -3.261 1.00 0.76 H new ATOM 0 HD2 ARG B 112 1.470 -7.605 -2.792 1.00 0.85 H new ATOM 0 HD3 ARG B 112 2.135 -9.035 -3.556 1.00 0.85 H new ATOM 0 HE ARG B 112 1.958 -9.022 -0.588 1.00 0.81 H new ATOM 0 HH11 ARG B 112 0.407 -9.938 -3.644 1.00 1.13 H new ATOM 0 HH12 ARG B 112 -0.381 -11.358 -2.947 1.00 1.13 H new ATOM 0 HH21 ARG B 112 0.981 -10.887 0.270 1.00 1.11 H new ATOM 0 HH22 ARG B 112 -0.058 -11.888 -0.750 1.00 1.11 H new ATOM 3874 N GLY B 113 6.203 -10.742 0.695 1.00 0.62 N ATOM 3875 CA GLY B 113 7.214 -11.759 0.987 1.00 0.68 C ATOM 3876 C GLY B 113 6.981 -13.087 0.286 1.00 0.62 C ATOM 3877 O GLY B 113 7.750 -13.466 -0.596 1.00 0.66 O ATOM 0 H GLY B 113 6.014 -10.107 1.471 1.00 0.62 H new ATOM 0 HA2 GLY B 113 8.193 -11.376 0.699 1.00 0.68 H new ATOM 0 HA3 GLY B 113 7.242 -11.929 2.063 1.00 0.68 H new ATOM 3881 N PRO B 114 5.909 -13.813 0.645 1.00 0.64 N ATOM 3882 CA PRO B 114 5.590 -15.112 0.037 1.00 0.67 C ATOM 3883 C PRO B 114 5.584 -15.079 -1.497 1.00 0.61 C ATOM 3884 O PRO B 114 5.627 -16.127 -2.145 1.00 0.77 O ATOM 3885 CB PRO B 114 4.188 -15.412 0.570 1.00 0.78 C ATOM 3886 CG PRO B 114 4.118 -14.684 1.866 1.00 0.90 C ATOM 3887 CD PRO B 114 4.928 -13.432 1.677 1.00 0.77 C ATOM 0 HA PRO B 114 6.337 -15.865 0.289 1.00 0.67 H new ATOM 0 HB2 PRO B 114 3.419 -15.067 -0.121 1.00 0.78 H new ATOM 0 HB3 PRO B 114 4.036 -16.483 0.708 1.00 0.78 H new ATOM 0 HG2 PRO B 114 3.086 -14.447 2.126 1.00 0.90 H new ATOM 0 HG3 PRO B 114 4.520 -15.291 2.678 1.00 0.90 H new ATOM 0 HD2 PRO B 114 4.307 -12.597 1.353 1.00 0.77 H new ATOM 0 HD3 PRO B 114 5.416 -13.126 2.602 1.00 0.77 H new ATOM 3895 N ARG B 115 5.512 -13.879 -2.075 1.00 0.57 N ATOM 3896 CA ARG B 115 5.504 -13.717 -3.523 1.00 0.61 C ATOM 3897 C ARG B 115 6.734 -12.935 -4.004 1.00 0.60 C ATOM 3898 O ARG B 115 6.833 -12.607 -5.190 1.00 0.66 O ATOM 3899 CB ARG B 115 4.224 -12.997 -3.974 1.00 0.65 C ATOM 3900 CG ARG B 115 2.959 -13.832 -3.832 1.00 0.68 C ATOM 3901 CD ARG B 115 2.635 -14.115 -2.372 1.00 0.68 C ATOM 3902 NE ARG B 115 1.339 -14.769 -2.203 1.00 0.69 N ATOM 3903 CZ ARG B 115 1.138 -16.088 -2.297 1.00 0.78 C ATOM 3904 NH1 ARG B 115 2.138 -16.907 -2.629 1.00 0.94 N ATOM 3905 NH2 ARG B 115 -0.071 -16.587 -2.056 1.00 0.87 N ATOM 0 H ARG B 115 5.458 -13.003 -1.556 1.00 0.57 H new ATOM 0 HA ARG B 115 5.534 -14.712 -3.967 1.00 0.61 H new ATOM 0 HB2 ARG B 115 4.110 -12.082 -3.392 1.00 0.65 H new ATOM 0 HB3 ARG B 115 4.335 -12.700 -5.017 1.00 0.65 H new ATOM 0 HG2 ARG B 115 2.123 -13.309 -4.296 1.00 0.68 H new ATOM 0 HG3 ARG B 115 3.082 -14.774 -4.367 1.00 0.68 H new ATOM 0 HD2 ARG B 115 3.415 -14.746 -1.946 1.00 0.68 H new ATOM 0 HD3 ARG B 115 2.642 -13.179 -1.814 1.00 0.68 H new ATOM 0 HE ARG B 115 0.532 -14.179 -1.999 1.00 0.69 H new ATOM 0 HH11 ARG B 115 3.067 -16.529 -2.814 1.00 0.94 H new ATOM 0 HH12 ARG B 115 1.973 -17.911 -2.698 1.00 0.94 H new ATOM 0 HH21 ARG B 115 -0.838 -15.965 -1.801 1.00 0.87 H new ATOM 0 HH22 ARG B 115 -0.231 -17.592 -2.126 1.00 0.87 H new ATOM 3919 N THR B 116 7.671 -12.634 -3.097 1.00 0.59 N ATOM 3920 CA THR B 116 8.867 -11.892 -3.471 1.00 0.61 C ATOM 3921 C THR B 116 9.782 -12.756 -4.333 1.00 0.63 C ATOM 3922 O THR B 116 10.758 -13.333 -3.852 1.00 0.91 O ATOM 3923 CB THR B 116 9.660 -11.380 -2.249 1.00 0.66 C ATOM 3924 OG1 THR B 116 8.783 -10.769 -1.295 1.00 1.17 O ATOM 3925 CG2 THR B 116 10.711 -10.369 -2.683 1.00 1.08 C ATOM 0 H THR B 116 7.620 -12.892 -2.111 1.00 0.59 H new ATOM 0 HA THR B 116 8.526 -11.024 -4.035 1.00 0.61 H new ATOM 0 HB THR B 116 10.150 -12.236 -1.786 1.00 0.66 H new ATOM 0 HG1 THR B 116 9.287 -10.540 -0.487 1.00 1.17 H new ATOM 0 HG21 THR B 116 11.261 -10.018 -1.810 1.00 1.08 H new ATOM 0 HG22 THR B 116 11.402 -10.840 -3.382 1.00 1.08 H new ATOM 0 HG23 THR B 116 10.224 -9.524 -3.169 1.00 1.08 H new ATOM 3933 N HIS B 117 9.434 -12.868 -5.603 1.00 0.79 N ATOM 3934 CA HIS B 117 10.214 -13.646 -6.550 1.00 0.82 C ATOM 3935 C HIS B 117 10.166 -12.980 -7.918 1.00 0.85 C ATOM 3936 O HIS B 117 9.505 -11.953 -8.074 1.00 1.15 O ATOM 3937 CB HIS B 117 9.689 -15.082 -6.627 1.00 0.86 C ATOM 3938 CG HIS B 117 10.779 -16.106 -6.551 1.00 0.80 C ATOM 3939 ND1 HIS B 117 10.631 -17.405 -6.985 1.00 1.00 N ATOM 3940 CD2 HIS B 117 12.051 -16.007 -6.105 1.00 0.85 C ATOM 3941 CE1 HIS B 117 11.763 -18.055 -6.810 1.00 1.00 C ATOM 3942 NE2 HIS B 117 12.644 -17.230 -6.279 1.00 0.87 N ATOM 0 H HIS B 117 8.608 -12.425 -6.005 1.00 0.79 H new ATOM 0 HA HIS B 117 11.250 -13.686 -6.212 1.00 0.82 H new ATOM 0 HB2 HIS B 117 8.983 -15.249 -5.814 1.00 0.86 H new ATOM 0 HB3 HIS B 117 9.139 -15.213 -7.559 1.00 0.86 H new ATOM 0 HD2 HIS B 117 12.515 -15.125 -5.688 1.00 0.85 H new ATOM 0 HE1 HIS B 117 11.940 -19.091 -7.060 1.00 1.00 H new ATOM 0 HE2 HIS B 117 13.607 -17.463 -6.038 1.00 0.87 H new ATOM 3951 N TYR B 118 10.844 -13.558 -8.907 1.00 0.85 N ATOM 3952 CA TYR B 118 10.865 -12.982 -10.251 1.00 0.88 C ATOM 3953 C TYR B 118 9.459 -12.592 -10.703 1.00 0.96 C ATOM 3954 O TYR B 118 9.282 -11.603 -11.419 1.00 1.52 O ATOM 3955 CB TYR B 118 11.498 -13.943 -11.262 1.00 0.91 C ATOM 3956 CG TYR B 118 11.743 -13.295 -12.609 1.00 0.98 C ATOM 3957 CD1 TYR B 118 12.224 -11.994 -12.688 1.00 1.10 C ATOM 3958 CD2 TYR B 118 11.483 -13.971 -13.796 1.00 1.11 C ATOM 3959 CE1 TYR B 118 12.436 -11.383 -13.907 1.00 1.23 C ATOM 3960 CE2 TYR B 118 11.697 -13.364 -15.021 1.00 1.22 C ATOM 3961 CZ TYR B 118 12.172 -12.070 -15.070 1.00 1.23 C ATOM 3962 OH TYR B 118 12.380 -11.462 -16.290 1.00 1.40 O ATOM 0 H TYR B 118 11.383 -14.418 -8.805 1.00 0.85 H new ATOM 0 HA TYR B 118 11.478 -12.082 -10.208 1.00 0.88 H new ATOM 0 HB2 TYR B 118 12.443 -14.312 -10.864 1.00 0.91 H new ATOM 0 HB3 TYR B 118 10.847 -14.808 -11.392 1.00 0.91 H new ATOM 0 HD1 TYR B 118 12.436 -11.451 -11.779 1.00 1.10 H new ATOM 0 HD2 TYR B 118 11.109 -14.984 -13.761 1.00 1.11 H new ATOM 0 HE1 TYR B 118 12.808 -10.370 -13.948 1.00 1.23 H new ATOM 0 HE2 TYR B 118 11.493 -13.901 -15.935 1.00 1.22 H new ATOM 0 HH TYR B 118 12.146 -12.084 -17.010 1.00 1.40 H new ATOM 3972 N GLY B 119 8.462 -13.377 -10.298 1.00 0.83 N ATOM 3973 CA GLY B 119 7.087 -13.066 -10.646 1.00 0.84 C ATOM 3974 C GLY B 119 6.691 -11.668 -10.192 1.00 0.79 C ATOM 3975 O GLY B 119 5.833 -11.028 -10.801 1.00 1.00 O ATOM 0 H GLY B 119 8.583 -14.220 -9.737 1.00 0.83 H new ATOM 0 HA2 GLY B 119 6.958 -13.148 -11.725 1.00 0.84 H new ATOM 0 HA3 GLY B 119 6.422 -13.799 -10.189 1.00 0.84 H new ATOM 3979 N GLN B 120 7.334 -11.193 -9.128 1.00 0.77 N ATOM 3980 CA GLN B 120 7.062 -9.876 -8.579 1.00 0.87 C ATOM 3981 C GLN B 120 8.086 -8.869 -9.100 1.00 0.75 C ATOM 3982 O GLN B 120 8.974 -8.424 -8.370 1.00 0.74 O ATOM 3983 CB GLN B 120 7.085 -9.933 -7.047 1.00 1.12 C ATOM 3984 CG GLN B 120 5.787 -9.484 -6.401 1.00 1.42 C ATOM 3985 CD GLN B 120 5.626 -7.978 -6.404 1.00 1.66 C ATOM 3986 OE1 GLN B 120 5.118 -7.398 -7.363 1.00 1.87 O ATOM 3987 NE2 GLN B 120 6.056 -7.333 -5.330 1.00 1.97 N ATOM 0 H GLN B 120 8.055 -11.712 -8.627 1.00 0.77 H new ATOM 0 HA GLN B 120 6.071 -9.553 -8.897 1.00 0.87 H new ATOM 0 HB2 GLN B 120 7.303 -10.954 -6.733 1.00 1.12 H new ATOM 0 HB3 GLN B 120 7.899 -9.307 -6.681 1.00 1.12 H new ATOM 0 HG2 GLN B 120 4.947 -9.937 -6.928 1.00 1.42 H new ATOM 0 HG3 GLN B 120 5.752 -9.848 -5.374 1.00 1.42 H new ATOM 0 HE21 GLN B 120 6.471 -7.851 -4.556 1.00 1.97 H new ATOM 0 HE22 GLN B 120 5.972 -6.318 -5.277 1.00 1.97 H new ATOM 3996 N LYS B 121 7.958 -8.515 -10.376 1.00 0.73 N ATOM 3997 CA LYS B 121 8.870 -7.557 -11.005 1.00 0.66 C ATOM 3998 C LYS B 121 8.925 -6.249 -10.208 1.00 0.58 C ATOM 3999 O LYS B 121 9.891 -5.492 -10.318 1.00 0.64 O ATOM 4000 CB LYS B 121 8.441 -7.280 -12.452 1.00 0.72 C ATOM 4001 CG LYS B 121 9.427 -6.427 -13.249 1.00 0.70 C ATOM 4002 CD LYS B 121 10.756 -7.141 -13.460 1.00 0.75 C ATOM 4003 CE LYS B 121 11.553 -6.529 -14.608 1.00 0.84 C ATOM 4004 NZ LYS B 121 12.361 -5.351 -14.184 1.00 0.74 N ATOM 0 H LYS B 121 7.233 -8.875 -10.996 1.00 0.73 H new ATOM 0 HA LYS B 121 9.868 -7.995 -11.012 1.00 0.66 H new ATOM 0 HB2 LYS B 121 8.304 -8.231 -12.966 1.00 0.72 H new ATOM 0 HB3 LYS B 121 7.472 -6.780 -12.442 1.00 0.72 H new ATOM 0 HG2 LYS B 121 8.991 -6.178 -14.217 1.00 0.70 H new ATOM 0 HG3 LYS B 121 9.599 -5.487 -12.725 1.00 0.70 H new ATOM 0 HD2 LYS B 121 11.344 -7.093 -12.543 1.00 0.75 H new ATOM 0 HD3 LYS B 121 10.573 -8.196 -13.666 1.00 0.75 H new ATOM 0 HE2 LYS B 121 12.215 -7.286 -15.029 1.00 0.84 H new ATOM 0 HE3 LYS B 121 10.868 -6.228 -15.401 1.00 0.84 H new ATOM 0 HZ1 LYS B 121 12.389 -4.654 -14.955 1.00 0.74 H new ATOM 0 HZ2 LYS B 121 11.929 -4.919 -13.342 1.00 0.74 H new ATOM 0 HZ3 LYS B 121 13.329 -5.657 -13.958 1.00 0.74 H new ATOM 4018 N ALA B 122 7.893 -5.999 -9.396 1.00 0.54 N ATOM 4019 CA ALA B 122 7.828 -4.792 -8.572 1.00 0.51 C ATOM 4020 C ALA B 122 8.989 -4.716 -7.568 1.00 0.48 C ATOM 4021 O ALA B 122 9.158 -3.702 -6.889 1.00 0.56 O ATOM 4022 CB ALA B 122 6.491 -4.712 -7.847 1.00 0.56 C ATOM 0 H ALA B 122 7.090 -6.620 -9.293 1.00 0.54 H new ATOM 0 HA ALA B 122 7.920 -3.937 -9.241 1.00 0.51 H new ATOM 0 HB1 ALA B 122 6.460 -3.808 -7.239 1.00 0.56 H new ATOM 0 HB2 ALA B 122 5.682 -4.686 -8.577 1.00 0.56 H new ATOM 0 HB3 ALA B 122 6.372 -5.585 -7.205 1.00 0.56 H new ATOM 4028 N ILE B 123 9.762 -5.796 -7.449 1.00 0.48 N ATOM 4029 CA ILE B 123 10.911 -5.814 -6.550 1.00 0.48 C ATOM 4030 C ILE B 123 12.080 -5.026 -7.153 1.00 0.47 C ATOM 4031 O ILE B 123 12.960 -4.551 -6.433 1.00 0.49 O ATOM 4032 CB ILE B 123 11.366 -7.257 -6.245 1.00 0.54 C ATOM 4033 CG1 ILE B 123 10.201 -8.081 -5.682 1.00 0.60 C ATOM 4034 CG2 ILE B 123 12.533 -7.248 -5.267 1.00 0.60 C ATOM 4035 CD1 ILE B 123 10.412 -9.576 -5.782 1.00 0.67 C ATOM 0 H ILE B 123 9.613 -6.665 -7.962 1.00 0.48 H new ATOM 0 HA ILE B 123 10.601 -5.344 -5.617 1.00 0.48 H new ATOM 0 HB ILE B 123 11.696 -7.720 -7.175 1.00 0.54 H new ATOM 0 HG12 ILE B 123 10.049 -7.813 -4.636 1.00 0.60 H new ATOM 0 HG13 ILE B 123 9.288 -7.815 -6.215 1.00 0.60 H new ATOM 0 HG21 ILE B 123 12.843 -8.272 -5.061 1.00 0.60 H new ATOM 0 HG22 ILE B 123 13.367 -6.697 -5.701 1.00 0.60 H new ATOM 0 HG23 ILE B 123 12.225 -6.769 -4.338 1.00 0.60 H new ATOM 0 HD11 ILE B 123 9.548 -10.094 -5.365 1.00 0.67 H new ATOM 0 HD12 ILE B 123 10.533 -9.857 -6.828 1.00 0.67 H new ATOM 0 HD13 ILE B 123 11.306 -9.855 -5.225 1.00 0.67 H new ATOM 4047 N LEU B 124 12.089 -4.895 -8.480 1.00 0.47 N ATOM 4048 CA LEU B 124 13.136 -4.153 -9.171 1.00 0.48 C ATOM 4049 C LEU B 124 12.863 -2.661 -9.010 1.00 0.46 C ATOM 4050 O LEU B 124 12.200 -2.039 -9.847 1.00 0.51 O ATOM 4051 CB LEU B 124 13.182 -4.549 -10.653 1.00 0.54 C ATOM 4052 CG LEU B 124 13.707 -5.963 -10.944 1.00 0.63 C ATOM 4053 CD1 LEU B 124 15.144 -6.109 -10.468 1.00 0.71 C ATOM 4054 CD2 LEU B 124 12.822 -7.021 -10.294 1.00 0.73 C ATOM 0 H LEU B 124 11.381 -5.295 -9.096 1.00 0.47 H new ATOM 0 HA LEU B 124 14.108 -4.390 -8.738 1.00 0.48 H new ATOM 0 HB2 LEU B 124 12.177 -4.461 -11.066 1.00 0.54 H new ATOM 0 HB3 LEU B 124 13.808 -3.832 -11.183 1.00 0.54 H new ATOM 0 HG LEU B 124 13.681 -6.115 -12.023 1.00 0.63 H new ATOM 0 HD11 LEU B 124 15.498 -7.117 -10.683 1.00 0.71 H new ATOM 0 HD12 LEU B 124 15.774 -5.385 -10.985 1.00 0.71 H new ATOM 0 HD13 LEU B 124 15.192 -5.929 -9.394 1.00 0.71 H new ATOM 0 HD21 LEU B 124 13.217 -8.012 -10.516 1.00 0.73 H new ATOM 0 HD22 LEU B 124 12.807 -6.870 -9.215 1.00 0.73 H new ATOM 0 HD23 LEU B 124 11.808 -6.938 -10.686 1.00 0.73 H new ATOM 4066 N PHE B 125 13.367 -2.098 -7.924 1.00 0.43 N ATOM 4067 CA PHE B 125 13.137 -0.693 -7.598 1.00 0.41 C ATOM 4068 C PHE B 125 13.971 0.263 -8.444 1.00 0.43 C ATOM 4069 O PHE B 125 15.078 -0.053 -8.871 1.00 0.47 O ATOM 4070 CB PHE B 125 13.433 -0.438 -6.116 1.00 0.42 C ATOM 4071 CG PHE B 125 13.031 -1.570 -5.205 1.00 0.42 C ATOM 4072 CD1 PHE B 125 11.702 -1.939 -5.075 1.00 0.56 C ATOM 4073 CD2 PHE B 125 13.991 -2.274 -4.490 1.00 0.53 C ATOM 4074 CE1 PHE B 125 11.339 -2.986 -4.250 1.00 0.64 C ATOM 4075 CE2 PHE B 125 13.630 -3.320 -3.662 1.00 0.59 C ATOM 4076 CZ PHE B 125 12.302 -3.676 -3.544 1.00 0.59 C ATOM 0 H PHE B 125 13.944 -2.595 -7.245 1.00 0.43 H new ATOM 0 HA PHE B 125 12.088 -0.496 -7.819 1.00 0.41 H new ATOM 0 HB2 PHE B 125 14.500 -0.251 -5.997 1.00 0.42 H new ATOM 0 HB3 PHE B 125 12.914 0.468 -5.803 1.00 0.42 H new ATOM 0 HD1 PHE B 125 10.942 -1.403 -5.624 1.00 0.56 H new ATOM 0 HD2 PHE B 125 15.032 -2.001 -4.582 1.00 0.53 H new ATOM 0 HE1 PHE B 125 10.300 -3.265 -4.158 1.00 0.64 H new ATOM 0 HE2 PHE B 125 14.386 -3.858 -3.108 1.00 0.59 H new ATOM 0 HZ PHE B 125 12.017 -4.494 -2.899 1.00 0.59 H new ATOM 4086 N LEU B 126 13.416 1.442 -8.669 1.00 0.43 N ATOM 4087 CA LEU B 126 14.071 2.497 -9.416 1.00 0.47 C ATOM 4088 C LEU B 126 14.422 3.620 -8.443 1.00 0.48 C ATOM 4089 O LEU B 126 13.548 4.377 -8.017 1.00 0.56 O ATOM 4090 CB LEU B 126 13.153 3.013 -10.530 1.00 0.49 C ATOM 4091 CG LEU B 126 13.815 3.942 -11.549 1.00 0.54 C ATOM 4092 CD1 LEU B 126 14.986 3.250 -12.231 1.00 0.63 C ATOM 4093 CD2 LEU B 126 12.797 4.406 -12.579 1.00 0.62 C ATOM 0 H LEU B 126 12.487 1.694 -8.333 1.00 0.43 H new ATOM 0 HA LEU B 126 14.978 2.117 -9.887 1.00 0.47 H new ATOM 0 HB2 LEU B 126 12.738 2.156 -11.061 1.00 0.49 H new ATOM 0 HB3 LEU B 126 12.316 3.541 -10.073 1.00 0.49 H new ATOM 0 HG LEU B 126 14.198 4.814 -11.020 1.00 0.54 H new ATOM 0 HD11 LEU B 126 15.441 3.930 -12.951 1.00 0.63 H new ATOM 0 HD12 LEU B 126 15.726 2.965 -11.483 1.00 0.63 H new ATOM 0 HD13 LEU B 126 14.631 2.358 -12.748 1.00 0.63 H new ATOM 0 HD21 LEU B 126 13.282 5.066 -13.298 1.00 0.62 H new ATOM 0 HD22 LEU B 126 12.387 3.541 -13.100 1.00 0.62 H new ATOM 0 HD23 LEU B 126 11.992 4.944 -12.078 1.00 0.62 H new ATOM 4105 N PRO B 127 15.695 3.711 -8.040 1.00 0.53 N ATOM 4106 CA PRO B 127 16.147 4.725 -7.092 1.00 0.58 C ATOM 4107 C PRO B 127 16.338 6.103 -7.719 1.00 0.56 C ATOM 4108 O PRO B 127 16.894 6.233 -8.810 1.00 0.61 O ATOM 4109 CB PRO B 127 17.484 4.166 -6.606 1.00 0.73 C ATOM 4110 CG PRO B 127 18.002 3.380 -7.759 1.00 0.80 C ATOM 4111 CD PRO B 127 16.795 2.826 -8.472 1.00 0.65 C ATOM 0 HA PRO B 127 15.414 4.892 -6.303 1.00 0.58 H new ATOM 0 HB2 PRO B 127 18.172 4.966 -6.330 1.00 0.73 H new ATOM 0 HB3 PRO B 127 17.355 3.538 -5.724 1.00 0.73 H new ATOM 0 HG2 PRO B 127 18.592 4.010 -8.425 1.00 0.80 H new ATOM 0 HG3 PRO B 127 18.655 2.576 -7.419 1.00 0.80 H new ATOM 0 HD2 PRO B 127 16.925 2.848 -9.554 1.00 0.65 H new ATOM 0 HD3 PRO B 127 16.607 1.789 -8.194 1.00 0.65 H new ATOM 4119 N LEU B 128 15.877 7.126 -7.007 1.00 0.53 N ATOM 4120 CA LEU B 128 16.010 8.510 -7.447 1.00 0.57 C ATOM 4121 C LEU B 128 16.635 9.341 -6.322 1.00 0.60 C ATOM 4122 O LEU B 128 16.076 10.353 -5.901 1.00 0.69 O ATOM 4123 CB LEU B 128 14.640 9.090 -7.827 1.00 0.63 C ATOM 4124 CG LEU B 128 13.849 8.292 -8.868 1.00 0.66 C ATOM 4125 CD1 LEU B 128 12.499 8.944 -9.122 1.00 0.79 C ATOM 4126 CD2 LEU B 128 14.636 8.173 -10.164 1.00 0.73 C ATOM 0 H LEU B 128 15.402 7.019 -6.111 1.00 0.53 H new ATOM 0 HA LEU B 128 16.652 8.542 -8.327 1.00 0.57 H new ATOM 0 HB2 LEU B 128 14.037 9.172 -6.923 1.00 0.63 H new ATOM 0 HB3 LEU B 128 14.786 10.102 -8.205 1.00 0.63 H new ATOM 0 HG LEU B 128 13.681 7.289 -8.477 1.00 0.66 H new ATOM 0 HD11 LEU B 128 11.949 8.365 -9.864 1.00 0.79 H new ATOM 0 HD12 LEU B 128 11.930 8.977 -8.193 1.00 0.79 H new ATOM 0 HD13 LEU B 128 12.649 9.958 -9.492 1.00 0.79 H new ATOM 0 HD21 LEU B 128 14.057 7.603 -10.890 1.00 0.73 H new ATOM 0 HD22 LEU B 128 14.836 9.168 -10.561 1.00 0.73 H new ATOM 0 HD23 LEU B 128 15.580 7.663 -9.971 1.00 0.73 H new ATOM 4138 N PRO B 129 17.800 8.912 -5.806 1.00 0.60 N ATOM 4139 CA PRO B 129 18.486 9.585 -4.717 1.00 0.67 C ATOM 4140 C PRO B 129 19.636 10.478 -5.174 1.00 0.68 C ATOM 4141 O PRO B 129 20.143 10.338 -6.291 1.00 0.76 O ATOM 4142 CB PRO B 129 19.035 8.393 -3.947 1.00 0.74 C ATOM 4143 CG PRO B 129 19.395 7.393 -5.003 1.00 0.69 C ATOM 4144 CD PRO B 129 18.562 7.723 -6.223 1.00 0.62 C ATOM 0 HA PRO B 129 17.832 10.259 -4.164 1.00 0.67 H new ATOM 0 HB2 PRO B 129 19.905 8.672 -3.352 1.00 0.74 H new ATOM 0 HB3 PRO B 129 18.293 7.991 -3.257 1.00 0.74 H new ATOM 0 HG2 PRO B 129 20.459 7.444 -5.236 1.00 0.69 H new ATOM 0 HG3 PRO B 129 19.192 6.379 -4.660 1.00 0.69 H new ATOM 0 HD2 PRO B 129 19.187 7.931 -7.092 1.00 0.62 H new ATOM 0 HD3 PRO B 129 17.903 6.898 -6.494 1.00 0.62 H new ATOM 4152 N VAL B 130 20.045 11.385 -4.297 1.00 0.69 N ATOM 4153 CA VAL B 130 21.157 12.277 -4.590 1.00 0.72 C ATOM 4154 C VAL B 130 22.471 11.549 -4.318 1.00 0.78 C ATOM 4155 O VAL B 130 22.735 11.119 -3.193 1.00 1.02 O ATOM 4156 CB VAL B 130 21.098 13.586 -3.767 1.00 0.74 C ATOM 4157 CG1 VAL B 130 20.050 14.531 -4.338 1.00 0.78 C ATOM 4158 CG2 VAL B 130 20.810 13.295 -2.302 1.00 0.73 C ATOM 0 H VAL B 130 19.624 11.522 -3.378 1.00 0.69 H new ATOM 0 HA VAL B 130 21.090 12.558 -5.641 1.00 0.72 H new ATOM 0 HB VAL B 130 22.073 14.069 -3.832 1.00 0.74 H new ATOM 0 HG11 VAL B 130 20.024 15.446 -3.746 1.00 0.78 H new ATOM 0 HG12 VAL B 130 20.303 14.774 -5.370 1.00 0.78 H new ATOM 0 HG13 VAL B 130 19.072 14.051 -4.308 1.00 0.78 H new ATOM 0 HG21 VAL B 130 20.774 14.231 -1.745 1.00 0.73 H new ATOM 0 HG22 VAL B 130 19.852 12.783 -2.214 1.00 0.73 H new ATOM 0 HG23 VAL B 130 21.598 12.661 -1.895 1.00 0.73 H new ATOM 4168 N SER B 131 23.266 11.377 -5.361 1.00 0.76 N ATOM 4169 CA SER B 131 24.541 10.684 -5.253 1.00 0.82 C ATOM 4170 C SER B 131 25.694 11.672 -5.039 1.00 0.86 C ATOM 4171 O SER B 131 25.477 12.843 -4.703 1.00 1.13 O ATOM 4172 CB SER B 131 24.770 9.836 -6.513 1.00 0.90 C ATOM 4173 OG SER B 131 24.100 10.389 -7.639 1.00 1.02 O ATOM 0 H SER B 131 23.049 11.711 -6.300 1.00 0.76 H new ATOM 0 HA SER B 131 24.512 10.029 -4.383 1.00 0.82 H new ATOM 0 HB2 SER B 131 25.838 9.770 -6.720 1.00 0.90 H new ATOM 0 HB3 SER B 131 24.415 8.820 -6.339 1.00 0.90 H new ATOM 0 HG SER B 131 24.266 9.829 -8.426 1.00 1.02 H new ATOM 4179 N SER B 132 26.919 11.192 -5.201 1.00 0.80 N ATOM 4180 CA SER B 132 28.095 12.025 -5.040 1.00 0.84 C ATOM 4181 C SER B 132 28.937 11.997 -6.314 1.00 0.88 C ATOM 4182 O SER B 132 29.728 11.079 -6.529 1.00 0.99 O ATOM 4183 CB SER B 132 28.911 11.546 -3.838 1.00 0.87 C ATOM 4184 OG SER B 132 28.091 11.432 -2.682 1.00 0.86 O ATOM 0 H SER B 132 27.121 10.223 -5.446 1.00 0.80 H new ATOM 0 HA SER B 132 27.784 13.054 -4.859 1.00 0.84 H new ATOM 0 HB2 SER B 132 29.366 10.581 -4.063 1.00 0.87 H new ATOM 0 HB3 SER B 132 29.725 12.245 -3.644 1.00 0.87 H new ATOM 0 HG SER B 132 28.630 11.599 -1.881 1.00 0.86 H new ATOM 4190 N ASP B 133 28.736 12.990 -7.173 1.00 0.93 N ATOM 4191 CA ASP B 133 29.478 13.073 -8.425 1.00 0.99 C ATOM 4192 C ASP B 133 30.540 14.156 -8.345 1.00 1.08 C ATOM 4193 O ASP B 133 31.735 13.813 -8.366 1.00 1.21 O ATOM 4194 CB ASP B 133 28.545 13.353 -9.603 1.00 1.08 C ATOM 4195 CG ASP B 133 29.295 13.417 -10.918 1.00 1.17 C ATOM 4196 OD1 ASP B 133 29.994 12.438 -11.252 1.00 1.33 O ATOM 4197 OD2 ASP B 133 29.189 14.440 -11.624 1.00 1.28 O ATOM 4198 OXT ASP B 133 30.177 15.345 -8.251 1.00 1.17 O ATOM 0 H ASP B 133 28.068 13.746 -7.026 1.00 0.93 H new ATOM 0 HA ASP B 133 29.961 12.109 -8.587 1.00 0.99 H new ATOM 0 HB2 ASP B 133 27.785 12.574 -9.657 1.00 1.08 H new ATOM 0 HB3 ASP B 133 28.024 14.296 -9.437 1.00 1.08 H new