USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1214 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 64 HIS : no HD1:sc= -0.702 K(o=-0.7,f=-4.1!) USER MOD Set 1.2: B 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.715 K(o=-0.72,f=-4.1!) USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -145:sc= -0.285 (180deg=-1.67!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.06) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -15.9! C(o=-16!,f=-18!) USER MOD Single : A 12 GLN : amide:sc= -0.558 K(o=-0.56,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0663 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0034 USER MOD Single : A 29 ASN : amide:sc= -8.46! C(o=-8.5!,f=-14!) USER MOD Single : A 31 GLN : amide:sc= -4.13! C(o=-4.1!,f=-14!) USER MOD Single : A 33 CYS SG : rot 24:sc= -2.83! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -9.88! C(o=-9.9!,f=-6.3!) USER MOD Single : A 41 HIS : no HD1:sc= -6.98! C(o=-7!,f=-8.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 128:sc= -1.1 USER MOD Single : A 53 GLN : amide:sc= -0.806 K(o=-0.81,f=-3.5!) USER MOD Single : A 56 TYR OH : rot -7:sc= 0.0812 USER MOD Single : A 61 TYR OH : rot 12:sc= 0.221 USER MOD Single : A 62 THR OG1 : rot 40:sc= 0.381! USER MOD Single : A 67 SER OG : rot -171:sc= 0.514 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -5.21! C(o=-5.2!,f=-2.5!) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 77 MET CE :methyl -144:sc= -0.553 (180deg=-2.28!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -145:sc= -0.337 (180deg=-1.72!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.01) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -15.9! C(o=-16!,f=-19!) USER MOD Single : B 12 GLN : amide:sc= -0.59 K(o=-0.59,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0818 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.00607 USER MOD Single : B 29 ASN : amide:sc= -8.57! C(o=-8.6!,f=-13!) USER MOD Single : B 31 GLN : amide:sc= -4.11! C(o=-4.1!,f=-14!) USER MOD Single : B 33 CYS SG : rot 23:sc= -3.08! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -10.2! C(o=-10!,f=-6!) USER MOD Single : B 41 HIS : no HD1:sc= -7.07! C(o=-7.1!,f=-8.5!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 120:sc= -1.1 USER MOD Single : B 53 GLN : amide:sc= -0.758 K(o=-0.76,f=-3.6!) USER MOD Single : B 56 TYR OH : rot -8:sc= 0.0949 USER MOD Single : B 61 TYR OH : rot 10:sc= 0.241 USER MOD Single : B 62 THR OG1 : rot 50:sc= 0.392 USER MOD Single : B 67 SER OG : rot -165:sc= 0.556 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -5.4! C(o=-5.4!,f=-2.7!) USER MOD Single : B 75 SER OG : rot 180:sc= -0.0269 USER MOD Single : B 77 MET CE :methyl -143:sc= -0.392 (180deg=-2.26!) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.747 17.983 2.693 1.00 42.32 N ATOM 2 CA MET A 1 -1.362 17.602 3.093 1.00 40.89 C ATOM 3 C MET A 1 -1.421 16.562 4.210 1.00 34.75 C ATOM 4 O MET A 1 -2.096 16.741 5.204 1.00 33.97 O ATOM 5 CB MET A 1 -0.614 18.840 3.598 1.00 48.45 C ATOM 6 CG MET A 1 0.708 18.415 4.246 1.00 56.13 C ATOM 7 SD MET A 1 2.065 19.352 3.499 1.00 64.91 S ATOM 8 CE MET A 1 1.821 18.783 1.799 1.00 63.43 C ATOM 0 H1 MET A 1 -2.706 18.691 1.932 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.255 17.141 2.355 1.00 42.32 H new ATOM 0 H3 MET A 1 -3.247 18.383 3.512 1.00 42.32 H new ATOM 0 HA MET A 1 -0.841 17.186 2.231 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.422 19.523 2.771 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.228 19.378 4.320 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.674 18.595 5.321 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.868 17.346 4.106 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.788 18.689 1.304 1.00 63.43 H new ATOM 0 HE2 MET A 1 1.322 17.814 1.808 1.00 63.43 H new ATOM 0 HE3 MET A 1 1.206 19.503 1.259 1.00 63.43 H new ATOM 20 N ILE A 2 -0.706 15.482 4.064 1.00 28.59 N ATOM 21 CA ILE A 2 -0.710 14.443 5.128 1.00 24.58 C ATOM 22 C ILE A 2 0.023 15.011 6.342 1.00 19.29 C ATOM 23 O ILE A 2 1.201 14.786 6.536 1.00 19.53 O ATOM 24 CB ILE A 2 -0.005 13.188 4.618 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.508 12.854 3.213 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.311 12.016 5.549 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.625 12.222 2.415 1.00 33.80 C ATOM 0 H ILE A 2 -0.120 15.275 3.255 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.730 14.174 5.403 1.00 24.58 H new ATOM 0 HB ILE A 2 1.070 13.366 4.591 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.355 12.170 3.270 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -0.860 13.757 2.715 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.192 11.121 5.184 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.043 12.247 6.554 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.387 11.843 5.574 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.273 11.981 1.412 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.458 12.922 2.349 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.956 11.310 2.912 1.00 33.80 H new ATOM 39 N LYS A 3 -0.667 15.779 7.136 1.00 18.14 N ATOM 40 CA LYS A 3 -0.029 16.419 8.321 1.00 16.66 C ATOM 41 C LYS A 3 0.550 15.379 9.275 1.00 14.94 C ATOM 42 O LYS A 3 0.137 14.237 9.307 1.00 13.94 O ATOM 43 CB LYS A 3 -1.067 17.265 9.060 1.00 16.94 C ATOM 44 CG LYS A 3 -0.927 18.729 8.641 1.00 17.85 C ATOM 45 CD LYS A 3 -0.752 19.604 9.884 1.00 19.63 C ATOM 46 CE LYS A 3 -1.169 21.040 9.563 1.00 26.28 C ATOM 47 NZ LYS A 3 -1.877 21.626 10.737 1.00 32.72 N ATOM 0 H LYS A 3 -1.657 15.994 7.014 1.00 18.14 H new ATOM 0 HA LYS A 3 0.789 17.047 7.968 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.071 16.906 8.834 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.929 17.170 10.137 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.071 18.847 7.977 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.809 19.044 8.083 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -1.355 19.214 10.704 1.00 19.63 H new ATOM 0 HD3 LYS A 3 0.287 19.581 10.214 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -0.292 21.639 9.318 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.819 21.054 8.688 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.161 22.603 10.519 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -2.722 21.059 10.951 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -1.242 21.626 11.561 1.00 32.72 H new ATOM 61 N VAL A 4 1.514 15.791 10.055 1.00 12.42 N ATOM 62 CA VAL A 4 2.158 14.871 11.027 1.00 12.99 C ATOM 63 C VAL A 4 2.849 15.693 12.115 1.00 14.26 C ATOM 64 O VAL A 4 3.024 16.888 11.989 1.00 13.80 O ATOM 65 CB VAL A 4 3.201 14.010 10.310 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.819 13.019 11.300 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.545 13.244 9.159 1.00 10.41 C ATOM 0 H VAL A 4 1.885 16.741 10.057 1.00 12.42 H new ATOM 0 HA VAL A 4 1.400 14.227 11.472 1.00 12.99 H new ATOM 0 HB VAL A 4 3.981 14.657 9.909 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.561 12.407 10.787 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.298 13.567 12.112 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.038 12.377 11.707 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.294 12.634 8.654 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.758 12.601 9.552 1.00 10.41 H new ATOM 0 HG23 VAL A 4 2.115 13.951 8.450 1.00 10.41 H new ATOM 77 N GLU A 5 3.243 15.057 13.180 1.00 9.27 N ATOM 78 CA GLU A 5 3.923 15.784 14.286 1.00 10.51 C ATOM 79 C GLU A 5 4.840 14.824 15.025 1.00 10.00 C ATOM 80 O GLU A 5 4.414 14.038 15.844 1.00 10.96 O ATOM 81 CB GLU A 5 2.877 16.339 15.249 1.00 10.42 C ATOM 82 CG GLU A 5 2.297 17.617 14.655 1.00 18.68 C ATOM 83 CD GLU A 5 1.173 18.139 15.551 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.481 18.702 16.588 1.00 19.38 O ATOM 85 OE2 GLU A 5 0.022 17.967 15.184 1.00 22.12 O ATOM 0 H GLU A 5 3.122 14.056 13.333 1.00 9.27 H new ATOM 0 HA GLU A 5 4.509 16.608 13.879 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.087 15.606 15.413 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.328 16.544 16.220 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.078 18.371 14.558 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.915 17.423 13.653 1.00 18.68 H new ATOM 92 N ILE A 6 6.101 14.888 14.744 1.00 9.86 N ATOM 93 CA ILE A 6 7.047 13.979 15.446 1.00 10.60 C ATOM 94 C ILE A 6 7.079 14.385 16.926 1.00 10.16 C ATOM 95 O ILE A 6 7.675 15.377 17.295 1.00 11.64 O ATOM 96 CB ILE A 6 8.447 14.065 14.795 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.610 12.895 13.822 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.547 13.979 15.852 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.237 13.339 12.407 1.00 13.81 C ATOM 0 H ILE A 6 6.521 15.523 14.065 1.00 9.86 H new ATOM 0 HA ILE A 6 6.723 12.941 15.366 1.00 10.60 H new ATOM 0 HB ILE A 6 8.533 15.019 14.276 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.639 12.536 13.840 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.977 12.063 14.130 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.522 14.042 15.369 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.438 14.802 16.558 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.467 13.031 16.385 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.355 12.501 11.720 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.201 13.676 12.393 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.889 14.156 12.098 1.00 13.81 H new ATOM 111 N LYS A 7 6.424 13.630 17.773 1.00 11.63 N ATOM 112 CA LYS A 7 6.399 13.979 19.216 1.00 11.59 C ATOM 113 C LYS A 7 7.822 14.232 19.708 1.00 12.98 C ATOM 114 O LYS A 7 8.775 13.782 19.105 1.00 9.79 O ATOM 115 CB LYS A 7 5.786 12.817 19.999 1.00 12.52 C ATOM 116 CG LYS A 7 4.364 12.567 19.508 1.00 14.26 C ATOM 117 CD LYS A 7 3.477 13.751 19.895 1.00 15.70 C ATOM 118 CE LYS A 7 3.480 14.782 18.765 1.00 19.19 C ATOM 119 NZ LYS A 7 2.080 15.198 18.467 1.00 25.43 N ATOM 0 H LYS A 7 5.907 12.788 17.522 1.00 11.63 H new ATOM 0 HA LYS A 7 5.804 14.880 19.366 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.390 11.919 19.870 1.00 12.52 H new ATOM 0 HB3 LYS A 7 5.779 13.046 21.065 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.359 12.433 18.426 1.00 14.26 H new ATOM 0 HG3 LYS A 7 3.973 11.648 19.944 1.00 14.26 H new ATOM 0 HD2 LYS A 7 2.460 13.409 20.087 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.840 14.205 20.817 1.00 15.70 H new ATOM 0 HE2 LYS A 7 4.075 15.649 19.051 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.942 14.359 17.873 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 2.087 15.960 17.759 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 1.548 14.385 18.096 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 1.627 15.540 19.338 1.00 25.43 H new ATOM 133 N PRO A 8 7.921 14.940 20.802 1.00 13.56 N ATOM 134 CA PRO A 8 9.217 15.261 21.414 1.00 11.93 C ATOM 135 C PRO A 8 9.755 14.027 22.139 1.00 10.20 C ATOM 136 O PRO A 8 10.849 14.028 22.668 1.00 12.05 O ATOM 137 CB PRO A 8 8.885 16.390 22.395 1.00 12.78 C ATOM 138 CG PRO A 8 7.373 16.270 22.699 1.00 12.51 C ATOM 139 CD PRO A 8 6.754 15.477 21.533 1.00 13.61 C ATOM 0 HA PRO A 8 9.984 15.557 20.698 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.474 16.298 23.308 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.119 17.363 21.962 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.207 15.758 23.647 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.915 17.255 22.784 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.107 14.677 21.894 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.144 16.117 20.895 1.00 13.61 H new ATOM 147 N SER A 9 8.989 12.968 22.157 1.00 10.65 N ATOM 148 CA SER A 9 9.448 11.726 22.836 1.00 10.83 C ATOM 149 C SER A 9 10.111 10.803 21.813 1.00 10.94 C ATOM 150 O SER A 9 10.736 9.821 22.162 1.00 13.16 O ATOM 151 CB SER A 9 8.250 11.015 23.467 1.00 13.01 C ATOM 152 OG SER A 9 8.590 10.602 24.784 1.00 15.52 O ATOM 0 H SER A 9 8.065 12.912 21.730 1.00 10.65 H new ATOM 0 HA SER A 9 10.167 11.981 23.614 1.00 10.83 H new ATOM 0 HB2 SER A 9 7.389 11.683 23.494 1.00 13.01 H new ATOM 0 HB3 SER A 9 7.966 10.152 22.865 1.00 13.01 H new ATOM 0 HG SER A 9 7.824 10.147 25.192 1.00 15.52 H new ATOM 158 N GLN A 10 9.988 11.115 20.553 1.00 10.02 N ATOM 159 CA GLN A 10 10.618 10.261 19.512 1.00 11.55 C ATOM 160 C GLN A 10 11.960 10.881 19.108 1.00 13.72 C ATOM 161 O GLN A 10 13.006 10.422 19.521 1.00 17.31 O ATOM 162 CB GLN A 10 9.696 10.170 18.294 1.00 6.60 C ATOM 163 CG GLN A 10 8.279 9.841 18.759 1.00 7.20 C ATOM 164 CD GLN A 10 8.235 8.411 19.302 1.00 10.36 C ATOM 165 OE1 GLN A 10 9.258 7.769 19.436 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.086 7.882 19.621 1.00 4.80 N ATOM 0 H GLN A 10 9.478 11.925 20.201 1.00 10.02 H new ATOM 0 HA GLN A 10 10.782 9.257 19.904 1.00 11.55 H new ATOM 0 HB2 GLN A 10 9.702 11.113 17.747 1.00 6.60 H new ATOM 0 HB3 GLN A 10 10.054 9.402 17.609 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.967 10.544 19.532 1.00 7.20 H new ATOM 0 HG3 GLN A 10 7.580 9.947 17.930 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.227 8.421 19.508 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.046 6.929 19.983 1.00 4.80 H new ATOM 175 N ALA A 11 11.917 11.932 18.319 1.00 15.28 N ATOM 176 CA ALA A 11 13.161 12.639 17.865 1.00 18.95 C ATOM 177 C ALA A 11 14.376 11.710 17.918 1.00 20.75 C ATOM 178 O ALA A 11 15.430 12.079 18.396 1.00 24.78 O ATOM 179 CB ALA A 11 13.412 13.848 18.766 1.00 17.72 C ATOM 0 H ALA A 11 11.052 12.338 17.963 1.00 15.28 H new ATOM 0 HA ALA A 11 13.017 12.959 16.833 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.315 14.364 18.439 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.563 14.529 18.706 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.537 13.514 19.796 1.00 17.72 H new ATOM 185 N GLN A 12 14.237 10.508 17.437 1.00 22.50 N ATOM 186 CA GLN A 12 15.388 9.560 17.468 1.00 25.43 C ATOM 187 C GLN A 12 14.975 8.229 16.824 1.00 22.80 C ATOM 188 O GLN A 12 13.933 7.684 17.131 1.00 20.93 O ATOM 189 CB GLN A 12 15.802 9.321 18.927 1.00 30.18 C ATOM 190 CG GLN A 12 14.877 8.279 19.552 1.00 42.11 C ATOM 191 CD GLN A 12 14.958 8.365 21.078 1.00 46.61 C ATOM 192 OE1 GLN A 12 14.036 7.980 21.769 1.00 46.27 O ATOM 193 NE2 GLN A 12 16.030 8.857 21.637 1.00 47.90 N ATOM 0 H GLN A 12 13.380 10.140 17.024 1.00 22.50 H new ATOM 0 HA GLN A 12 16.227 9.981 16.913 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.836 8.979 18.972 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.750 10.254 19.489 1.00 30.18 H new ATOM 0 HG2 GLN A 12 13.851 8.445 19.223 1.00 42.11 H new ATOM 0 HG3 GLN A 12 15.161 7.281 19.219 1.00 42.11 H new ATOM 0 HE21 GLN A 12 16.805 9.180 21.058 1.00 47.90 H new ATOM 0 HE22 GLN A 12 16.093 8.918 22.653 1.00 47.90 H new ATOM 202 N PHE A 13 15.775 7.698 15.942 1.00 21.61 N ATOM 203 CA PHE A 13 15.417 6.411 15.299 1.00 20.51 C ATOM 204 C PHE A 13 16.127 5.269 16.017 1.00 18.83 C ATOM 205 O PHE A 13 17.159 5.451 16.631 1.00 18.83 O ATOM 206 CB PHE A 13 15.894 6.438 13.858 1.00 19.56 C ATOM 207 CG PHE A 13 17.361 6.790 13.864 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.318 5.799 14.110 1.00 20.50 C ATOM 209 CD2 PHE A 13 17.766 8.112 13.638 1.00 15.55 C ATOM 210 CE1 PHE A 13 19.678 6.130 14.126 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.123 8.442 13.656 1.00 14.07 C ATOM 212 CZ PHE A 13 20.079 7.452 13.899 1.00 18.48 C ATOM 0 H PHE A 13 16.661 8.103 15.641 1.00 21.61 H new ATOM 0 HA PHE A 13 14.338 6.267 15.346 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.736 5.469 13.385 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.328 7.170 13.282 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.008 4.780 14.287 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.028 8.877 13.450 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.418 5.366 14.313 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.433 9.462 13.482 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.128 7.707 13.912 1.00 18.48 H new ATOM 222 N THR A 14 15.595 4.089 15.921 1.00 14.89 N ATOM 223 CA THR A 14 16.251 2.927 16.571 1.00 13.37 C ATOM 224 C THR A 14 16.489 1.848 15.517 1.00 11.97 C ATOM 225 O THR A 14 15.919 1.880 14.444 1.00 10.76 O ATOM 226 CB THR A 14 15.356 2.375 17.681 1.00 13.68 C ATOM 227 OG1 THR A 14 15.999 1.270 18.299 1.00 13.48 O ATOM 228 CG2 THR A 14 14.022 1.924 17.086 1.00 9.24 C ATOM 0 H THR A 14 14.732 3.877 15.420 1.00 14.89 H new ATOM 0 HA THR A 14 17.200 3.237 17.009 1.00 13.37 H new ATOM 0 HB THR A 14 15.175 3.152 18.423 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.428 0.916 19.012 1.00 13.48 H new ATOM 0 HG21 THR A 14 13.385 1.531 17.878 1.00 9.24 H new ATOM 0 HG22 THR A 14 13.529 2.773 16.612 1.00 9.24 H new ATOM 0 HG23 THR A 14 14.199 1.146 16.343 1.00 9.24 H new ATOM 236 N THR A 15 17.325 0.894 15.806 1.00 13.20 N ATOM 237 CA THR A 15 17.594 -0.178 14.809 1.00 12.54 C ATOM 238 C THR A 15 16.541 -1.280 14.946 1.00 14.34 C ATOM 239 O THR A 15 16.496 -1.990 15.930 1.00 17.35 O ATOM 240 CB THR A 15 18.984 -0.767 15.053 1.00 11.88 C ATOM 241 OG1 THR A 15 19.809 0.211 15.670 1.00 17.15 O ATOM 242 CG2 THR A 15 19.601 -1.189 13.720 1.00 8.30 C ATOM 0 H THR A 15 17.833 0.809 16.686 1.00 13.20 H new ATOM 0 HA THR A 15 17.550 0.243 13.805 1.00 12.54 H new ATOM 0 HB THR A 15 18.902 -1.637 15.705 1.00 11.88 H new ATOM 0 HG1 THR A 15 20.700 -0.165 15.829 1.00 17.15 H new ATOM 0 HG21 THR A 15 20.592 -1.609 13.894 1.00 8.30 H new ATOM 0 HG22 THR A 15 18.967 -1.939 13.247 1.00 8.30 H new ATOM 0 HG23 THR A 15 19.685 -0.321 13.067 1.00 8.30 H new ATOM 435 N LEU A 28 17.407 -1.367 9.340 1.00 18.57 N ATOM 436 CA LEU A 28 17.554 0.086 9.042 1.00 16.31 C ATOM 437 C LEU A 28 16.878 0.931 10.126 1.00 14.21 C ATOM 438 O LEU A 28 15.798 0.624 10.589 1.00 16.97 O ATOM 439 CB LEU A 28 16.912 0.381 7.687 1.00 16.48 C ATOM 440 CG LEU A 28 17.810 1.324 6.887 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.272 0.622 5.607 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.025 2.586 6.522 1.00 22.01 C ATOM 0 HA LEU A 28 18.614 0.340 9.019 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.760 -0.547 7.136 1.00 16.48 H new ATOM 0 HB3 LEU A 28 15.930 0.832 7.829 1.00 16.48 H new ATOM 0 HG LEU A 28 18.679 1.597 7.486 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.913 1.293 5.035 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.829 -0.278 5.867 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.403 0.351 5.007 1.00 24.00 H new ATOM 0 HD21 LEU A 28 17.664 3.260 5.951 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.157 2.314 5.921 1.00 22.01 H new ATOM 0 HD23 LEU A 28 16.694 3.085 7.433 1.00 22.01 H new ATOM 454 N ASN A 29 17.514 2.000 10.526 1.00 11.64 N ATOM 455 CA ASN A 29 16.922 2.884 11.575 1.00 9.77 C ATOM 456 C ASN A 29 15.423 3.071 11.316 1.00 7.94 C ATOM 457 O ASN A 29 14.939 2.882 10.218 1.00 10.52 O ATOM 458 CB ASN A 29 17.606 4.262 11.568 1.00 14.73 C ATOM 459 CG ASN A 29 18.297 4.529 10.226 1.00 17.90 C ATOM 460 OD1 ASN A 29 17.982 3.919 9.225 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.236 5.433 10.167 1.00 12.89 N ATOM 0 H ASN A 29 18.421 2.301 10.171 1.00 11.64 H new ATOM 0 HA ASN A 29 17.074 2.412 12.546 1.00 9.77 H new ATOM 0 HB2 ASN A 29 16.867 5.039 11.761 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.338 4.312 12.374 1.00 14.73 H new ATOM 0 HD21 ASN A 29 19.703 5.626 9.281 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.503 5.947 11.007 1.00 12.89 H new ATOM 468 N GLU A 30 14.694 3.450 12.329 1.00 8.58 N ATOM 469 CA GLU A 30 13.226 3.667 12.176 1.00 13.16 C ATOM 470 C GLU A 30 12.752 4.623 13.276 1.00 12.26 C ATOM 471 O GLU A 30 13.157 4.515 14.417 1.00 10.58 O ATOM 472 CB GLU A 30 12.496 2.328 12.306 1.00 14.93 C ATOM 473 CG GLU A 30 12.393 1.668 10.929 1.00 27.13 C ATOM 474 CD GLU A 30 11.371 0.532 10.980 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.717 -0.528 11.475 1.00 40.03 O ATOM 476 OE2 GLU A 30 10.259 0.740 10.523 1.00 38.01 O ATOM 0 H GLU A 30 15.056 3.621 13.267 1.00 8.58 H new ATOM 0 HA GLU A 30 13.012 4.096 11.197 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.032 1.675 12.995 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.501 2.483 12.722 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.096 2.405 10.183 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.366 1.282 10.626 1.00 27.13 H new ATOM 483 N GLN A 31 11.910 5.568 12.948 1.00 10.34 N ATOM 484 CA GLN A 31 11.436 6.532 13.986 1.00 9.46 C ATOM 485 C GLN A 31 9.913 6.469 14.114 1.00 10.09 C ATOM 486 O GLN A 31 9.269 5.562 13.624 1.00 9.36 O ATOM 487 CB GLN A 31 11.848 7.954 13.586 1.00 7.25 C ATOM 488 CG GLN A 31 12.361 8.713 14.814 1.00 10.62 C ATOM 489 CD GLN A 31 11.438 9.899 15.105 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.272 9.720 15.397 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.915 11.113 15.039 1.00 12.39 N ATOM 0 H GLN A 31 11.532 5.714 12.012 1.00 10.34 H new ATOM 0 HA GLN A 31 11.886 6.268 14.943 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.624 7.916 12.821 1.00 7.25 H new ATOM 0 HB3 GLN A 31 10.998 8.480 13.152 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.398 8.048 15.676 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.378 9.065 14.639 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.894 11.264 14.794 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.309 11.910 15.233 1.00 12.39 H new ATOM 500 N LEU A 32 9.338 7.437 14.775 1.00 6.80 N ATOM 501 CA LEU A 32 7.860 7.462 14.951 1.00 10.34 C ATOM 502 C LEU A 32 7.327 8.824 14.490 1.00 9.02 C ATOM 503 O LEU A 32 8.089 9.703 14.137 1.00 11.15 O ATOM 504 CB LEU A 32 7.534 7.240 16.430 1.00 10.20 C ATOM 505 CG LEU A 32 8.187 5.938 16.899 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.603 6.229 17.403 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.356 5.330 18.032 1.00 15.89 C ATOM 0 H LEU A 32 9.835 8.218 15.204 1.00 6.80 H new ATOM 0 HA LEU A 32 7.392 6.676 14.359 1.00 10.34 H new ATOM 0 HB2 LEU A 32 7.898 8.078 17.025 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.455 7.192 16.574 1.00 10.20 H new ATOM 0 HG LEU A 32 8.236 5.236 16.067 1.00 16.38 H new ATOM 0 HD11 LEU A 32 10.068 5.302 17.737 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.195 6.662 16.596 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.556 6.931 18.235 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.821 4.402 18.367 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.307 6.032 18.864 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.348 5.122 17.673 1.00 15.89 H new ATOM 519 N CYS A 33 6.033 9.014 14.476 1.00 9.68 N ATOM 520 CA CYS A 33 5.484 10.319 14.025 1.00 8.10 C ATOM 521 C CYS A 33 3.989 10.349 14.324 1.00 6.34 C ATOM 522 O CYS A 33 3.365 9.324 14.504 1.00 8.02 O ATOM 523 CB CYS A 33 5.694 10.501 12.514 1.00 8.88 C ATOM 524 SG CYS A 33 6.078 8.917 11.721 1.00 13.84 S ATOM 0 H CYS A 33 5.338 8.322 14.757 1.00 9.68 H new ATOM 0 HA CYS A 33 5.999 11.123 14.551 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.797 10.928 12.067 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.505 11.207 12.338 1.00 8.88 H new ATOM 0 HG CYS A 33 5.616 7.944 12.449 1.00 13.84 H new ATOM 530 N TYR A 34 3.408 11.510 14.376 1.00 7.35 N ATOM 531 CA TYR A 34 1.954 11.596 14.663 1.00 7.08 C ATOM 532 C TYR A 34 1.227 12.103 13.422 1.00 7.71 C ATOM 533 O TYR A 34 0.998 13.285 13.270 1.00 7.80 O ATOM 534 CB TYR A 34 1.726 12.583 15.797 1.00 8.67 C ATOM 535 CG TYR A 34 1.784 11.880 17.134 1.00 9.11 C ATOM 536 CD1 TYR A 34 2.651 10.806 17.343 1.00 13.61 C ATOM 537 CD2 TYR A 34 0.960 12.333 18.175 1.00 12.44 C ATOM 538 CE1 TYR A 34 2.692 10.183 18.595 1.00 17.22 C ATOM 539 CE2 TYR A 34 1.002 11.710 19.420 1.00 16.38 C ATOM 540 CZ TYR A 34 1.865 10.637 19.630 1.00 16.83 C ATOM 541 OH TYR A 34 1.907 10.020 20.864 1.00 21.14 O ATOM 0 H TYR A 34 3.877 12.404 14.232 1.00 7.35 H new ATOM 0 HA TYR A 34 1.578 10.612 14.942 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.481 13.368 15.760 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.757 13.067 15.676 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.287 10.458 16.542 1.00 13.61 H new ATOM 0 HD2 TYR A 34 0.292 13.166 18.011 1.00 12.44 H new ATOM 0 HE1 TYR A 34 3.361 9.352 18.763 1.00 17.22 H new ATOM 0 HE2 TYR A 34 0.367 12.058 20.221 1.00 16.38 H new ATOM 0 HH TYR A 34 1.273 10.457 21.470 1.00 21.14 H new ATOM 551 N VAL A 35 0.866 11.228 12.531 1.00 9.44 N ATOM 552 CA VAL A 35 0.161 11.681 11.302 1.00 10.66 C ATOM 553 C VAL A 35 -1.328 11.848 11.580 1.00 10.57 C ATOM 554 O VAL A 35 -2.047 10.887 11.769 1.00 8.31 O ATOM 555 CB VAL A 35 0.359 10.667 10.178 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.357 11.169 8.921 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.855 10.520 9.889 1.00 9.86 C ATOM 0 H VAL A 35 1.027 10.223 12.598 1.00 9.44 H new ATOM 0 HA VAL A 35 0.578 12.641 10.998 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.051 9.701 10.473 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.220 10.450 8.113 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.421 11.283 9.129 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.060 12.132 8.625 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.001 9.797 9.087 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.264 11.484 9.587 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.367 10.174 10.787 1.00 9.86 H new ATOM 567 N ASP A 36 -1.801 13.064 11.591 1.00 8.58 N ATOM 568 CA ASP A 36 -3.243 13.290 11.832 1.00 11.48 C ATOM 569 C ASP A 36 -4.021 12.442 10.831 1.00 12.38 C ATOM 570 O ASP A 36 -5.074 11.915 11.126 1.00 11.89 O ATOM 571 CB ASP A 36 -3.575 14.769 11.623 1.00 16.17 C ATOM 572 CG ASP A 36 -5.004 15.044 12.093 1.00 17.97 C ATOM 573 OD1 ASP A 36 -5.841 14.173 11.923 1.00 25.89 O ATOM 574 OD2 ASP A 36 -5.238 16.121 12.616 1.00 15.67 O ATOM 0 H ASP A 36 -1.247 13.907 11.443 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.508 13.015 12.853 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.873 15.392 12.177 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.471 15.030 10.570 1.00 16.17 H new ATOM 579 N LEU A 37 -3.487 12.298 9.647 1.00 13.17 N ATOM 580 CA LEU A 37 -4.165 11.476 8.609 1.00 18.47 C ATOM 581 C LEU A 37 -5.668 11.746 8.638 1.00 21.14 C ATOM 582 O LEU A 37 -6.472 10.867 8.399 1.00 24.24 O ATOM 583 CB LEU A 37 -3.904 9.998 8.894 1.00 15.81 C ATOM 584 CG LEU A 37 -4.555 9.146 7.808 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.497 8.245 7.167 1.00 14.72 C ATOM 586 CD2 LEU A 37 -5.652 8.286 8.436 1.00 20.01 C ATOM 0 H LEU A 37 -2.605 12.718 9.355 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.775 11.735 7.625 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -2.831 9.807 8.926 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.305 9.729 9.871 1.00 15.81 H new ATOM 0 HG LEU A 37 -4.990 9.790 7.044 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -3.960 7.635 6.391 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -2.714 8.861 6.726 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.063 7.596 7.927 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.121 7.675 7.665 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -5.216 7.639 9.197 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -6.402 8.931 8.894 1.00 20.01 H new ATOM 598 N GLY A 38 -6.054 12.956 8.931 1.00 20.70 N ATOM 599 CA GLY A 38 -7.504 13.279 8.976 1.00 23.91 C ATOM 600 C GLY A 38 -8.206 12.322 9.944 1.00 26.50 C ATOM 601 O GLY A 38 -9.393 12.081 9.844 1.00 31.02 O ATOM 0 H GLY A 38 -5.428 13.733 9.141 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.649 14.310 9.297 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.939 13.191 7.980 1.00 23.91 H new ATOM 605 N ASN A 39 -7.477 11.768 10.876 1.00 27.64 N ATOM 606 CA ASN A 39 -8.091 10.822 11.844 1.00 30.27 C ATOM 607 C ASN A 39 -8.642 11.589 13.048 1.00 26.79 C ATOM 608 O ASN A 39 -8.748 11.059 14.133 1.00 26.87 O ATOM 609 CB ASN A 39 -7.033 9.822 12.323 1.00 35.62 C ATOM 610 CG ASN A 39 -6.966 8.636 11.357 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.923 8.343 10.669 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.865 7.937 11.276 1.00 39.63 N ATOM 0 H ASN A 39 -6.479 11.933 11.006 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.906 10.290 11.353 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.060 10.309 12.383 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.277 9.473 13.326 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.809 7.145 10.635 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.061 8.183 11.854 1.00 39.63 H new ATOM 619 N GLU A 40 -8.996 12.829 12.869 1.00 25.15 N ATOM 620 CA GLU A 40 -9.543 13.621 14.010 1.00 23.81 C ATOM 621 C GLU A 40 -8.507 13.693 15.139 1.00 21.12 C ATOM 622 O GLU A 40 -8.814 14.062 16.255 1.00 19.86 O ATOM 623 CB GLU A 40 -10.815 12.950 14.530 1.00 27.22 C ATOM 624 CG GLU A 40 -11.711 12.566 13.350 1.00 34.87 C ATOM 625 CD GLU A 40 -13.122 12.262 13.857 1.00 38.97 C ATOM 626 OE1 GLU A 40 -13.875 13.202 14.053 1.00 42.34 O ATOM 627 OE2 GLU A 40 -13.425 11.095 14.041 1.00 39.54 O ATOM 0 H GLU A 40 -8.931 13.331 11.983 1.00 25.15 H new ATOM 0 HA GLU A 40 -9.773 14.630 13.669 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.560 12.063 15.110 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -11.347 13.626 15.199 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -11.741 13.378 12.624 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.302 11.695 12.838 1.00 34.87 H new ATOM 634 N HIS A 41 -7.284 13.344 14.853 1.00 5.18 N ATOM 635 CA HIS A 41 -6.219 13.389 15.895 1.00 4.46 C ATOM 636 C HIS A 41 -4.931 12.823 15.295 1.00 3.41 C ATOM 637 O HIS A 41 -4.964 12.225 14.238 1.00 2.73 O ATOM 638 CB HIS A 41 -6.641 12.549 17.105 1.00 5.25 C ATOM 639 CG HIS A 41 -7.471 11.376 16.664 1.00 4.27 C ATOM 640 ND1 HIS A 41 -8.825 11.279 16.944 1.00 4.61 N ATOM 641 CD2 HIS A 41 -7.143 10.229 15.990 1.00 3.80 C ATOM 642 CE1 HIS A 41 -9.258 10.106 16.445 1.00 4.05 C ATOM 643 NE2 HIS A 41 -8.272 9.426 15.853 1.00 3.68 N ATOM 0 H HIS A 41 -6.974 13.027 13.935 1.00 5.18 H new ATOM 0 HA HIS A 41 -6.059 14.416 16.222 1.00 4.46 H new ATOM 0 HB2 HIS A 41 -5.757 12.198 17.638 1.00 5.25 H new ATOM 0 HB3 HIS A 41 -7.210 13.164 17.802 1.00 5.25 H new ATOM 0 HD2 HIS A 41 -6.158 9.985 15.621 1.00 3.80 H new ATOM 0 HE1 HIS A 41 -10.278 9.757 16.515 1.00 4.05 H new ATOM 0 HE2 HIS A 41 -8.333 8.515 15.399 1.00 3.68 H new ATOM 651 N PRO A 42 -3.830 13.023 15.976 1.00 15.11 N ATOM 652 CA PRO A 42 -2.529 12.531 15.503 1.00 16.08 C ATOM 653 C PRO A 42 -2.416 11.031 15.726 1.00 17.92 C ATOM 654 O PRO A 42 -2.909 10.498 16.701 1.00 17.13 O ATOM 655 CB PRO A 42 -1.516 13.260 16.376 1.00 16.41 C ATOM 656 CG PRO A 42 -2.273 13.693 17.649 1.00 13.79 C ATOM 657 CD PRO A 42 -3.769 13.743 17.268 1.00 16.28 C ATOM 0 HA PRO A 42 -2.380 12.708 14.438 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.678 12.609 16.625 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.105 14.125 15.855 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -2.102 12.987 18.462 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.927 14.667 17.995 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.390 13.262 18.023 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.123 14.769 17.171 1.00 16.28 H new ATOM 665 N VAL A 43 -1.762 10.345 14.841 1.00 16.29 N ATOM 666 CA VAL A 43 -1.611 8.888 15.018 1.00 14.28 C ATOM 667 C VAL A 43 -0.132 8.546 15.103 1.00 9.00 C ATOM 668 O VAL A 43 0.631 8.799 14.192 1.00 7.99 O ATOM 669 CB VAL A 43 -2.245 8.162 13.835 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.664 8.690 13.613 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.405 8.409 12.579 1.00 20.57 C ATOM 0 H VAL A 43 -1.327 10.732 14.004 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.108 8.574 15.936 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.285 7.093 14.042 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.117 8.172 12.768 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.261 8.516 14.508 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.626 9.759 13.405 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.856 7.891 11.732 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.366 9.478 12.372 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.394 8.033 12.738 1.00 20.57 H new ATOM 681 N LEU A 44 0.277 7.976 16.195 1.00 10.19 N ATOM 682 CA LEU A 44 1.703 7.619 16.350 1.00 11.55 C ATOM 683 C LEU A 44 2.023 6.423 15.457 1.00 10.61 C ATOM 684 O LEU A 44 1.544 5.327 15.670 1.00 13.49 O ATOM 685 CB LEU A 44 1.973 7.268 17.805 1.00 10.60 C ATOM 686 CG LEU A 44 3.431 6.847 17.963 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.343 7.848 17.247 1.00 15.65 C ATOM 688 CD2 LEU A 44 3.788 6.802 19.450 1.00 20.21 C ATOM 0 H LEU A 44 -0.319 7.742 16.989 1.00 10.19 H new ATOM 0 HA LEU A 44 2.332 8.460 16.059 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.760 8.126 18.443 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.313 6.461 18.124 1.00 10.60 H new ATOM 0 HG LEU A 44 3.570 5.859 17.523 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.382 7.541 17.364 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.090 7.877 16.187 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.206 8.839 17.680 1.00 15.65 H new ATOM 0 HD21 LEU A 44 4.829 6.501 19.565 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.645 7.790 19.889 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.145 6.083 19.957 1.00 20.21 H new ATOM 700 N VAL A 45 2.826 6.628 14.455 1.00 10.81 N ATOM 701 CA VAL A 45 3.178 5.511 13.539 1.00 9.29 C ATOM 702 C VAL A 45 4.700 5.468 13.361 1.00 9.95 C ATOM 703 O VAL A 45 5.393 6.424 13.649 1.00 9.36 O ATOM 704 CB VAL A 45 2.471 5.727 12.192 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.287 6.673 11.306 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.301 4.381 11.484 1.00 10.20 C ATOM 0 H VAL A 45 3.256 7.525 14.229 1.00 10.81 H new ATOM 0 HA VAL A 45 2.851 4.558 13.955 1.00 9.29 H new ATOM 0 HB VAL A 45 1.493 6.173 12.374 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.773 6.816 10.356 1.00 7.95 H new ATOM 0 HG12 VAL A 45 3.398 7.635 11.806 1.00 7.95 H new ATOM 0 HG13 VAL A 45 4.272 6.243 11.125 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.799 4.533 10.528 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.280 3.934 11.313 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.702 3.716 12.106 1.00 10.20 H new ATOM 716 N LYS A 46 5.230 4.365 12.907 1.00 10.76 N ATOM 717 CA LYS A 46 6.709 4.268 12.736 1.00 12.81 C ATOM 718 C LYS A 46 7.140 4.936 11.428 1.00 13.35 C ATOM 719 O LYS A 46 6.354 5.127 10.521 1.00 12.90 O ATOM 720 CB LYS A 46 7.127 2.796 12.714 1.00 17.04 C ATOM 721 CG LYS A 46 6.460 2.055 13.873 1.00 26.60 C ATOM 722 CD LYS A 46 7.280 2.259 15.148 1.00 33.77 C ATOM 723 CE LYS A 46 8.390 1.208 15.216 1.00 34.48 C ATOM 724 NZ LYS A 46 8.121 0.274 16.346 1.00 36.74 N ATOM 0 H LYS A 46 4.706 3.529 12.648 1.00 10.76 H new ATOM 0 HA LYS A 46 7.192 4.777 13.570 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.841 2.341 11.766 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.211 2.714 12.793 1.00 17.04 H new ATOM 0 HG2 LYS A 46 5.445 2.424 14.018 1.00 26.60 H new ATOM 0 HG3 LYS A 46 6.383 0.992 13.643 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.711 3.260 15.159 1.00 33.77 H new ATOM 0 HD3 LYS A 46 6.636 2.180 16.024 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.440 0.656 14.278 1.00 34.48 H new ATOM 0 HE3 LYS A 46 9.357 1.693 15.353 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 8.875 -0.441 16.393 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 8.094 0.807 17.238 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 7.206 -0.197 16.196 1.00 36.74 H new ATOM 738 N ILE A 47 8.396 5.280 11.327 1.00 13.96 N ATOM 739 CA ILE A 47 8.912 5.922 10.089 1.00 16.93 C ATOM 740 C ILE A 47 10.305 5.357 9.794 1.00 16.52 C ATOM 741 O ILE A 47 10.942 4.785 10.655 1.00 17.67 O ATOM 742 CB ILE A 47 8.986 7.445 10.291 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.015 8.145 8.931 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.251 7.812 11.069 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.797 9.057 8.799 1.00 18.26 C ATOM 0 H ILE A 47 9.092 5.141 12.059 1.00 13.96 H new ATOM 0 HA ILE A 47 8.248 5.716 9.250 1.00 16.93 H new ATOM 0 HB ILE A 47 8.109 7.767 10.853 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.931 8.727 8.830 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.017 7.406 8.130 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.293 8.893 11.206 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.234 7.323 12.043 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.129 7.482 10.513 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.819 9.555 7.830 1.00 18.26 H new ATOM 0 HD12 ILE A 47 6.887 8.463 8.881 1.00 18.26 H new ATOM 0 HD13 ILE A 47 7.815 9.805 9.592 1.00 18.26 H new ATOM 757 N THR A 48 10.784 5.503 8.591 1.00 16.86 N ATOM 758 CA THR A 48 12.134 4.961 8.269 1.00 16.59 C ATOM 759 C THR A 48 13.176 6.075 8.379 1.00 19.04 C ATOM 760 O THR A 48 12.926 7.212 8.031 1.00 22.56 O ATOM 761 CB THR A 48 12.134 4.394 6.848 1.00 16.30 C ATOM 762 OG1 THR A 48 10.809 4.403 6.335 1.00 17.90 O ATOM 763 CG2 THR A 48 12.665 2.960 6.873 1.00 16.02 C ATOM 0 H THR A 48 10.304 5.970 7.822 1.00 16.86 H new ATOM 0 HA THR A 48 12.381 4.167 8.974 1.00 16.59 H new ATOM 0 HB THR A 48 12.773 5.006 6.211 1.00 16.30 H new ATOM 0 HG1 THR A 48 10.799 4.850 5.463 1.00 17.90 H new ATOM 0 HG21 THR A 48 12.666 2.555 5.861 1.00 16.02 H new ATOM 0 HG22 THR A 48 13.681 2.955 7.266 1.00 16.02 H new ATOM 0 HG23 THR A 48 12.027 2.347 7.509 1.00 16.02 H new ATOM 771 N LEU A 49 14.347 5.753 8.859 1.00 18.35 N ATOM 772 CA LEU A 49 15.410 6.786 8.991 1.00 18.82 C ATOM 773 C LEU A 49 16.554 6.444 8.033 1.00 20.06 C ATOM 774 O LEU A 49 16.834 5.292 7.774 1.00 18.35 O ATOM 775 CB LEU A 49 15.924 6.806 10.440 1.00 18.79 C ATOM 776 CG LEU A 49 15.942 8.238 10.968 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.074 9.020 10.295 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.602 8.918 10.670 1.00 14.50 C ATOM 0 H LEU A 49 14.612 4.817 9.165 1.00 18.35 H new ATOM 0 HA LEU A 49 15.011 7.769 8.743 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.286 6.186 11.069 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.927 6.381 10.485 1.00 18.79 H new ATOM 0 HG LEU A 49 16.104 8.220 12.046 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.085 10.042 10.673 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.028 8.541 10.515 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.916 9.034 9.217 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.620 9.940 11.049 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.433 8.933 9.593 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.798 8.365 11.155 1.00 14.50 H new ATOM 790 N ASP A 50 17.210 7.434 7.494 1.00 22.62 N ATOM 791 CA ASP A 50 18.328 7.156 6.546 1.00 27.04 C ATOM 792 C ASP A 50 19.598 6.831 7.334 1.00 27.73 C ATOM 793 O ASP A 50 19.860 7.404 8.372 1.00 26.65 O ATOM 794 CB ASP A 50 18.573 8.384 5.667 1.00 29.11 C ATOM 795 CG ASP A 50 18.163 8.070 4.227 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.756 7.176 3.645 1.00 33.99 O ATOM 797 OD2 ASP A 50 17.263 8.727 3.732 1.00 30.76 O ATOM 0 H ASP A 50 17.022 8.421 7.668 1.00 22.62 H new ATOM 0 HA ASP A 50 18.064 6.307 5.916 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.002 9.233 6.042 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.625 8.667 5.704 1.00 29.11 H new ATOM 802 N GLU A 51 20.389 5.912 6.849 1.00 31.16 N ATOM 803 CA GLU A 51 21.641 5.549 7.572 1.00 34.22 C ATOM 804 C GLU A 51 22.482 6.806 7.798 1.00 34.98 C ATOM 805 O GLU A 51 22.929 7.442 6.864 1.00 34.19 O ATOM 806 CB GLU A 51 22.439 4.543 6.738 1.00 38.24 C ATOM 807 CG GLU A 51 22.726 3.294 7.575 1.00 46.84 C ATOM 808 CD GLU A 51 23.738 2.410 6.843 1.00 51.38 C ATOM 809 OE1 GLU A 51 24.590 2.956 6.162 1.00 54.92 O ATOM 810 OE2 GLU A 51 23.644 1.201 6.977 1.00 53.83 O ATOM 0 H GLU A 51 20.222 5.398 5.984 1.00 31.16 H new ATOM 0 HA GLU A 51 21.389 5.103 8.534 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.879 4.272 5.843 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.374 4.993 6.405 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.116 3.580 8.552 1.00 46.84 H new ATOM 0 HG3 GLU A 51 21.803 2.741 7.750 1.00 46.84 H new ATOM 817 N GLY A 52 22.702 7.170 9.032 1.00 34.53 N ATOM 818 CA GLY A 52 23.514 8.387 9.317 1.00 34.93 C ATOM 819 C GLY A 52 22.605 9.617 9.345 1.00 36.10 C ATOM 820 O GLY A 52 23.029 10.706 9.676 1.00 35.97 O ATOM 0 H GLY A 52 22.355 6.677 9.855 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.026 8.279 10.273 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.284 8.509 8.555 1.00 34.93 H new ATOM 824 N GLN A 53 21.357 9.454 9.001 1.00 36.52 N ATOM 825 CA GLN A 53 20.424 10.616 9.009 1.00 35.40 C ATOM 826 C GLN A 53 19.879 10.823 10.426 1.00 31.02 C ATOM 827 O GLN A 53 19.728 9.877 11.174 1.00 29.05 O ATOM 828 CB GLN A 53 19.264 10.344 8.049 1.00 41.20 C ATOM 829 CG GLN A 53 19.358 11.292 6.853 1.00 47.61 C ATOM 830 CD GLN A 53 17.970 11.846 6.530 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.079 11.804 7.355 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.746 12.368 5.355 1.00 54.76 N ATOM 0 H GLN A 53 20.943 8.567 8.715 1.00 36.52 H new ATOM 0 HA GLN A 53 20.956 11.513 8.691 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.295 9.309 7.709 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.313 10.483 8.563 1.00 41.20 H new ATOM 0 HG2 GLN A 53 20.044 12.109 7.076 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.761 10.765 5.988 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.493 12.404 4.662 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.823 12.740 5.130 1.00 54.76 H new ATOM 841 N PRO A 54 19.602 12.060 10.750 1.00 27.43 N ATOM 842 CA PRO A 54 19.072 12.435 12.073 1.00 23.44 C ATOM 843 C PRO A 54 17.582 12.097 12.177 1.00 20.14 C ATOM 844 O PRO A 54 16.767 12.594 11.425 1.00 21.64 O ATOM 845 CB PRO A 54 19.297 13.945 12.138 1.00 24.39 C ATOM 846 CG PRO A 54 19.413 14.428 10.677 1.00 27.18 C ATOM 847 CD PRO A 54 19.790 13.199 9.831 1.00 28.37 C ATOM 0 HA PRO A 54 19.556 11.902 12.891 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.470 14.440 12.647 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.202 14.180 12.698 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.471 14.858 10.336 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.170 15.207 10.586 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.154 13.110 8.951 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.819 13.259 9.476 1.00 28.37 H new ATOM 855 N ALA A 55 17.224 11.251 13.104 1.00 17.21 N ATOM 856 CA ALA A 55 15.794 10.872 13.264 1.00 15.58 C ATOM 857 C ALA A 55 14.900 12.106 13.126 1.00 16.41 C ATOM 858 O ALA A 55 15.272 13.204 13.488 1.00 13.65 O ATOM 859 CB ALA A 55 15.595 10.251 14.643 1.00 13.98 C ATOM 0 H ALA A 55 17.865 10.805 13.760 1.00 17.21 H new ATOM 0 HA ALA A 55 15.524 10.154 12.489 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.549 9.970 14.768 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.222 9.365 14.737 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.871 10.974 15.411 1.00 13.98 H new ATOM 865 N TYR A 56 13.717 11.923 12.609 1.00 15.93 N ATOM 866 CA TYR A 56 12.779 13.068 12.446 1.00 14.61 C ATOM 867 C TYR A 56 12.798 13.917 13.719 1.00 15.51 C ATOM 868 O TYR A 56 12.365 13.489 14.769 1.00 17.19 O ATOM 869 CB TYR A 56 11.368 12.529 12.187 1.00 12.92 C ATOM 870 CG TYR A 56 11.355 11.820 10.848 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.794 10.492 10.759 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.929 12.494 9.700 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.803 9.840 9.523 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.941 11.841 8.462 1.00 7.90 C ATOM 875 CZ TYR A 56 11.377 10.514 8.374 1.00 10.29 C ATOM 876 OH TYR A 56 11.389 9.872 7.152 1.00 12.03 O ATOM 0 H TYR A 56 13.358 11.023 12.290 1.00 15.93 H new ATOM 0 HA TYR A 56 13.083 13.687 11.602 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.075 11.842 12.981 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.646 13.345 12.189 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.125 9.972 11.646 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.591 13.517 9.768 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.139 8.816 9.455 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.614 12.361 7.574 1.00 7.90 H new ATOM 0 HH TYR A 56 11.827 9.000 7.245 1.00 12.03 H new ATOM 886 N ALA A 57 13.309 15.115 13.634 1.00 13.38 N ATOM 887 CA ALA A 57 13.369 15.994 14.836 1.00 14.95 C ATOM 888 C ALA A 57 11.949 16.322 15.310 1.00 15.46 C ATOM 889 O ALA A 57 10.983 15.933 14.685 1.00 17.82 O ATOM 890 CB ALA A 57 14.097 17.290 14.476 1.00 14.98 C ATOM 0 H ALA A 57 13.689 15.524 12.780 1.00 13.38 H new ATOM 0 HA ALA A 57 13.904 15.480 15.635 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.144 17.937 15.352 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.108 17.058 14.142 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.559 17.800 13.677 1.00 14.98 H new ATOM 896 N PRO A 58 11.870 17.035 16.407 1.00 15.20 N ATOM 897 CA PRO A 58 10.584 17.444 17.002 1.00 16.55 C ATOM 898 C PRO A 58 9.991 18.626 16.232 1.00 16.75 C ATOM 899 O PRO A 58 10.532 19.714 16.232 1.00 17.28 O ATOM 900 CB PRO A 58 10.962 17.854 18.428 1.00 15.65 C ATOM 901 CG PRO A 58 12.470 18.198 18.399 1.00 14.16 C ATOM 902 CD PRO A 58 13.056 17.501 17.157 1.00 13.96 C ATOM 0 HA PRO A 58 9.830 16.657 16.977 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.374 18.712 18.754 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.762 17.045 19.131 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.621 19.276 18.345 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.964 17.852 19.307 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.658 18.188 16.562 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.703 16.669 17.436 1.00 13.96 H new ATOM 910 N GLY A 59 8.884 18.421 15.574 1.00 17.22 N ATOM 911 CA GLY A 59 8.258 19.531 14.803 1.00 15.08 C ATOM 912 C GLY A 59 7.085 18.985 13.989 1.00 14.96 C ATOM 913 O GLY A 59 6.869 17.793 13.927 1.00 13.79 O ATOM 0 H GLY A 59 8.385 17.532 15.537 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.912 20.310 15.482 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.993 19.988 14.141 1.00 15.08 H new ATOM 917 N LEU A 60 6.328 19.843 13.361 1.00 15.83 N ATOM 918 CA LEU A 60 5.179 19.361 12.545 1.00 14.53 C ATOM 919 C LEU A 60 5.718 18.661 11.302 1.00 14.15 C ATOM 920 O LEU A 60 6.744 19.035 10.772 1.00 13.27 O ATOM 921 CB LEU A 60 4.321 20.554 12.116 1.00 15.84 C ATOM 922 CG LEU A 60 3.146 20.715 13.077 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.610 21.462 14.329 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.034 21.511 12.388 1.00 15.01 C ATOM 0 H LEU A 60 6.456 20.855 13.378 1.00 15.83 H new ATOM 0 HA LEU A 60 4.574 18.670 13.132 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.923 21.463 12.107 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.955 20.404 11.100 1.00 15.84 H new ATOM 0 HG LEU A 60 2.769 19.733 13.361 1.00 16.91 H new ATOM 0 HD11 LEU A 60 2.771 21.577 15.016 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.404 20.896 14.817 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.986 22.446 14.047 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.193 21.628 13.072 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.411 22.494 12.106 1.00 15.01 H new ATOM 0 HD23 LEU A 60 1.705 20.979 11.496 1.00 15.01 H new ATOM 936 N TYR A 61 5.046 17.651 10.824 1.00 11.12 N ATOM 937 CA TYR A 61 5.548 16.953 9.615 1.00 9.57 C ATOM 938 C TYR A 61 4.446 16.780 8.595 1.00 11.76 C ATOM 939 O TYR A 61 3.274 16.885 8.882 1.00 11.26 O ATOM 940 CB TYR A 61 6.103 15.580 9.986 1.00 9.42 C ATOM 941 CG TYR A 61 7.519 15.765 10.447 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.769 16.218 11.743 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.579 15.517 9.570 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.083 16.421 12.167 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.893 15.722 9.991 1.00 13.99 C ATOM 946 CZ TYR A 61 10.143 16.175 11.288 1.00 11.06 C ATOM 947 OH TYR A 61 11.441 16.368 11.711 1.00 14.61 O ATOM 0 H TYR A 61 4.179 17.284 11.216 1.00 11.12 H new ATOM 0 HA TYR A 61 6.340 17.565 9.184 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.502 15.125 10.773 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.066 14.909 9.128 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.947 16.411 12.417 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.381 15.167 8.568 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.281 16.767 13.171 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.714 15.531 9.316 1.00 13.99 H new ATOM 0 HH TYR A 61 11.454 16.488 12.684 1.00 14.61 H new ATOM 957 N THR A 62 4.840 16.493 7.403 1.00 12.22 N ATOM 958 CA THR A 62 3.874 16.268 6.320 1.00 14.26 C ATOM 959 C THR A 62 4.464 15.185 5.453 1.00 15.40 C ATOM 960 O THR A 62 5.532 15.335 4.891 1.00 16.24 O ATOM 961 CB THR A 62 3.674 17.536 5.508 1.00 15.07 C ATOM 962 OG1 THR A 62 4.872 17.850 4.812 1.00 18.36 O ATOM 963 CG2 THR A 62 3.306 18.678 6.450 1.00 11.61 C ATOM 0 H THR A 62 5.818 16.403 7.128 1.00 12.22 H new ATOM 0 HA THR A 62 2.899 15.982 6.715 1.00 14.26 H new ATOM 0 HB THR A 62 2.872 17.389 4.784 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.275 17.026 4.466 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.161 19.592 5.874 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.385 18.432 6.978 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.109 18.828 7.172 1.00 11.61 H new ATOM 971 N VAL A 63 3.812 14.083 5.364 1.00 14.65 N ATOM 972 CA VAL A 63 4.380 12.989 4.559 1.00 15.17 C ATOM 973 C VAL A 63 4.779 13.541 3.197 1.00 14.24 C ATOM 974 O VAL A 63 4.382 14.622 2.812 1.00 19.13 O ATOM 975 CB VAL A 63 3.377 11.858 4.419 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.132 10.581 4.070 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.639 11.662 5.750 1.00 18.64 C ATOM 0 H VAL A 63 2.915 13.888 5.809 1.00 14.65 H new ATOM 0 HA VAL A 63 5.262 12.583 5.054 1.00 15.17 H new ATOM 0 HB VAL A 63 2.655 12.094 3.637 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.425 9.758 3.966 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.668 10.720 3.131 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.843 10.351 4.863 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.919 10.850 5.650 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.358 11.416 6.532 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.116 12.581 6.015 1.00 18.64 H new ATOM 987 N HIS A 64 5.577 12.819 2.476 1.00 13.31 N ATOM 988 CA HIS A 64 6.023 13.314 1.147 1.00 10.78 C ATOM 989 C HIS A 64 5.765 12.239 0.093 1.00 14.19 C ATOM 990 O HIS A 64 6.190 11.105 0.234 1.00 11.59 O ATOM 991 CB HIS A 64 7.519 13.634 1.198 1.00 11.86 C ATOM 992 CG HIS A 64 7.849 14.679 0.166 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.199 14.742 -1.055 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.770 15.698 0.152 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.732 15.759 -1.749 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.694 16.379 -1.060 1.00 20.65 N ATOM 0 H HIS A 64 5.942 11.906 2.746 1.00 13.31 H new ATOM 0 HA HIS A 64 5.469 14.216 0.888 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.791 13.991 2.191 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.101 12.731 1.014 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.449 15.935 0.958 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.421 16.042 -2.744 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.252 17.179 -1.358 1.00 20.65 H new ATOM 1004 N LEU A 65 5.076 12.585 -0.964 1.00 12.93 N ATOM 1005 CA LEU A 65 4.791 11.589 -2.027 1.00 14.44 C ATOM 1006 C LEU A 65 6.056 11.317 -2.844 1.00 12.66 C ATOM 1007 O LEU A 65 6.038 10.548 -3.784 1.00 10.20 O ATOM 1008 CB LEU A 65 3.686 12.116 -2.945 1.00 14.94 C ATOM 1009 CG LEU A 65 4.258 13.157 -3.886 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.251 12.601 -5.312 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.412 14.428 -3.824 1.00 19.03 C ATOM 0 H LEU A 65 4.700 13.518 -1.133 1.00 12.93 H new ATOM 0 HA LEU A 65 4.462 10.659 -1.563 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.252 11.295 -3.516 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.883 12.551 -2.351 1.00 14.94 H new ATOM 0 HG LEU A 65 5.280 13.396 -3.591 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.661 13.345 -5.995 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.858 11.697 -5.353 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.228 12.365 -5.605 1.00 15.75 H new ATOM 0 HD21 LEU A 65 3.826 15.174 -4.502 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.388 14.198 -4.119 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.417 14.819 -2.807 1.00 19.03 H new ATOM 1023 N SER A 66 7.163 11.917 -2.490 1.00 13.51 N ATOM 1024 CA SER A 66 8.407 11.648 -3.253 1.00 10.39 C ATOM 1025 C SER A 66 8.682 10.149 -3.171 1.00 8.56 C ATOM 1026 O SER A 66 9.432 9.591 -3.947 1.00 11.70 O ATOM 1027 CB SER A 66 9.569 12.426 -2.635 1.00 12.88 C ATOM 1028 OG SER A 66 9.758 12.001 -1.291 1.00 14.72 O ATOM 0 H SER A 66 7.255 12.573 -1.714 1.00 13.51 H new ATOM 0 HA SER A 66 8.298 11.960 -4.292 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.479 12.262 -3.212 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.362 13.496 -2.664 1.00 12.88 H new ATOM 0 HG SER A 66 10.504 12.497 -0.893 1.00 14.72 H new ATOM 1034 N SER A 67 8.066 9.499 -2.220 1.00 7.98 N ATOM 1035 CA SER A 67 8.262 8.035 -2.049 1.00 8.20 C ATOM 1036 C SER A 67 7.114 7.267 -2.715 1.00 11.02 C ATOM 1037 O SER A 67 7.203 6.077 -2.939 1.00 11.45 O ATOM 1038 CB SER A 67 8.277 7.704 -0.561 1.00 8.01 C ATOM 1039 OG SER A 67 9.514 8.119 0.001 1.00 11.22 O ATOM 0 H SER A 67 7.429 9.927 -1.548 1.00 7.98 H new ATOM 0 HA SER A 67 9.206 7.746 -2.512 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.450 8.204 -0.057 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.139 6.633 -0.414 1.00 8.01 H new ATOM 0 HG SER A 67 9.587 7.781 0.918 1.00 11.22 H new ATOM 1045 N PHE A 68 6.029 7.931 -3.013 1.00 10.09 N ATOM 1046 CA PHE A 68 4.872 7.231 -3.640 1.00 11.79 C ATOM 1047 C PHE A 68 5.247 6.797 -5.057 1.00 12.69 C ATOM 1048 O PHE A 68 6.140 7.347 -5.670 1.00 14.25 O ATOM 1049 CB PHE A 68 3.671 8.187 -3.695 1.00 10.08 C ATOM 1050 CG PHE A 68 3.386 8.754 -2.319 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.118 8.328 -1.197 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.403 9.740 -2.172 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.863 8.889 0.058 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.154 10.303 -0.917 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.885 9.879 0.196 1.00 11.87 C ATOM 0 H PHE A 68 5.895 8.929 -2.849 1.00 10.09 H new ATOM 0 HA PHE A 68 4.611 6.352 -3.050 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.875 8.998 -4.395 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.793 7.658 -4.067 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.877 7.567 -1.304 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.835 10.067 -3.031 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.421 8.558 0.921 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.397 11.065 -0.808 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.694 10.317 1.165 1.00 11.87 H new ATOM 1065 N LYS A 69 4.572 5.813 -5.579 1.00 12.51 N ATOM 1066 CA LYS A 69 4.886 5.340 -6.956 1.00 15.38 C ATOM 1067 C LYS A 69 3.623 4.776 -7.605 1.00 15.02 C ATOM 1068 O LYS A 69 2.561 4.757 -7.016 1.00 15.36 O ATOM 1069 CB LYS A 69 5.952 4.245 -6.894 1.00 16.04 C ATOM 1070 CG LYS A 69 7.322 4.844 -7.220 1.00 20.35 C ATOM 1071 CD LYS A 69 8.116 5.042 -5.927 1.00 21.35 C ATOM 1072 CE LYS A 69 8.476 3.679 -5.333 1.00 30.24 C ATOM 1073 NZ LYS A 69 9.905 3.682 -4.912 1.00 32.70 N ATOM 0 H LYS A 69 3.815 5.314 -5.111 1.00 12.51 H new ATOM 0 HA LYS A 69 5.258 6.178 -7.546 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.968 3.794 -5.902 1.00 16.04 H new ATOM 0 HB3 LYS A 69 5.713 3.451 -7.601 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.867 4.185 -7.896 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.200 5.798 -7.734 1.00 20.35 H new ATOM 0 HD2 LYS A 69 9.022 5.613 -6.129 1.00 21.35 H new ATOM 0 HD3 LYS A 69 7.529 5.618 -5.212 1.00 21.35 H new ATOM 0 HE2 LYS A 69 7.835 3.462 -4.479 1.00 30.24 H new ATOM 0 HE3 LYS A 69 8.304 2.893 -6.068 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 10.150 2.755 -4.508 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 10.510 3.871 -5.737 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 10.055 4.422 -4.197 1.00 32.70 H new ATOM 1087 N VAL A 70 3.737 4.315 -8.817 1.00 13.65 N ATOM 1088 CA VAL A 70 2.551 3.745 -9.518 1.00 13.49 C ATOM 1089 C VAL A 70 2.843 2.291 -9.896 1.00 11.85 C ATOM 1090 O VAL A 70 3.663 2.014 -10.748 1.00 12.13 O ATOM 1091 CB VAL A 70 2.247 4.548 -10.787 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.737 4.764 -10.904 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.953 5.909 -10.738 1.00 15.63 C ATOM 0 H VAL A 70 4.603 4.307 -9.356 1.00 13.65 H new ATOM 0 HA VAL A 70 1.687 3.793 -8.855 1.00 13.49 H new ATOM 0 HB VAL A 70 2.609 3.992 -11.652 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.520 5.335 -11.807 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.234 3.798 -10.956 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.379 5.313 -10.033 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.728 6.468 -11.646 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.604 6.469 -9.871 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.030 5.758 -10.662 1.00 15.63 H new ATOM 1103 N GLY A 71 2.180 1.360 -9.266 1.00 11.15 N ATOM 1104 CA GLY A 71 2.423 -0.076 -9.586 1.00 11.07 C ATOM 1105 C GLY A 71 1.631 -0.466 -10.835 1.00 12.15 C ATOM 1106 O GLY A 71 1.004 0.362 -11.466 1.00 12.70 O ATOM 0 H GLY A 71 1.481 1.531 -8.544 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.487 -0.247 -9.750 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.125 -0.702 -8.745 1.00 11.07 H new ATOM 1110 N GLN A 72 1.652 -1.720 -11.200 1.00 15.78 N ATOM 1111 CA GLN A 72 0.900 -2.154 -12.407 1.00 19.42 C ATOM 1112 C GLN A 72 -0.521 -2.549 -12.010 1.00 16.97 C ATOM 1113 O GLN A 72 -1.208 -3.257 -12.720 1.00 20.46 O ATOM 1114 CB GLN A 72 1.607 -3.348 -13.053 1.00 22.64 C ATOM 1115 CG GLN A 72 0.775 -3.863 -14.229 1.00 25.29 C ATOM 1116 CD GLN A 72 0.124 -5.199 -13.859 1.00 26.29 C ATOM 1117 OE1 GLN A 72 -0.130 -6.019 -14.717 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -0.159 -5.455 -12.610 1.00 25.15 N ATOM 0 H GLN A 72 2.158 -2.460 -10.713 1.00 15.78 H new ATOM 0 HA GLN A 72 0.859 -1.332 -13.122 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.598 -3.054 -13.397 1.00 22.64 H new ATOM 0 HB3 GLN A 72 1.747 -4.141 -12.319 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.008 -3.134 -14.490 1.00 25.29 H new ATOM 0 HG3 GLN A 72 1.408 -3.988 -15.107 1.00 25.29 H new ATOM 0 HE21 GLN A 72 0.054 -4.767 -11.888 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -0.593 -6.343 -12.357 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.966 -2.089 -10.880 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.341 -2.424 -10.424 1.00 14.60 C ATOM 1129 C PHE A 73 -3.305 -1.320 -10.866 1.00 15.63 C ATOM 1130 O PHE A 73 -4.498 -1.402 -10.648 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.355 -2.534 -8.899 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.621 -3.225 -8.458 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.000 -4.437 -9.048 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -4.416 -2.655 -7.457 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -5.175 -5.078 -8.637 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -5.591 -3.296 -7.047 1.00 18.68 C ATOM 1137 CZ PHE A 73 -5.970 -4.508 -7.636 1.00 17.88 C ATOM 0 H PHE A 73 -0.434 -1.491 -10.247 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.651 -3.373 -10.860 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.484 -3.093 -8.556 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -2.294 -1.542 -8.451 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -3.386 -4.877 -9.820 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -4.123 -1.721 -7.001 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -5.468 -6.012 -9.092 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -6.205 -2.855 -6.276 1.00 18.68 H new ATOM 0 HZ PHE A 73 -6.876 -5.003 -7.318 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.799 -0.289 -11.488 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.687 0.816 -11.944 1.00 13.44 C ATOM 1149 C GLY A 74 -3.986 1.753 -10.773 1.00 10.42 C ATOM 1150 O GLY A 74 -5.008 2.406 -10.735 1.00 13.62 O ATOM 0 H GLY A 74 -1.809 -0.165 -11.699 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -3.209 1.369 -12.752 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.616 0.408 -12.342 1.00 13.44 H new ATOM 1154 N SER A 75 -3.104 1.825 -9.813 1.00 12.64 N ATOM 1155 CA SER A 75 -3.349 2.721 -8.649 1.00 12.47 C ATOM 1156 C SER A 75 -2.014 3.150 -8.034 1.00 12.47 C ATOM 1157 O SER A 75 -1.019 2.461 -8.140 1.00 11.32 O ATOM 1158 CB SER A 75 -4.178 1.977 -7.601 1.00 11.21 C ATOM 1159 OG SER A 75 -3.787 2.402 -6.303 1.00 18.27 O ATOM 0 H SER A 75 -2.228 1.304 -9.785 1.00 12.64 H new ATOM 0 HA SER A 75 -3.890 3.606 -8.983 1.00 12.47 H new ATOM 0 HB2 SER A 75 -5.239 2.172 -7.755 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.033 0.901 -7.703 1.00 11.21 H new ATOM 0 HG SER A 75 -4.318 1.928 -5.630 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.988 4.286 -7.392 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.723 4.767 -6.767 1.00 12.18 C ATOM 1167 C LEU A 76 -0.274 3.780 -5.689 1.00 12.07 C ATOM 1168 O LEU A 76 -0.946 2.808 -5.402 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.963 6.137 -6.128 1.00 11.99 C ATOM 1170 CG LEU A 76 0.000 7.160 -6.729 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.258 7.283 -8.232 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.221 8.519 -6.060 1.00 7.80 C ATOM 0 H LEU A 76 -2.791 4.904 -7.273 1.00 12.43 H new ATOM 0 HA LEU A 76 0.050 4.846 -7.531 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.993 6.451 -6.294 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -0.818 6.077 -5.049 1.00 11.99 H new ATOM 0 HG LEU A 76 1.027 6.835 -6.563 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.429 8.013 -8.661 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.103 6.315 -8.708 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -1.285 7.609 -8.399 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.465 9.251 -6.487 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -1.248 8.844 -6.227 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.037 8.432 -4.989 1.00 7.80 H new ATOM 1184 N MET A 77 0.857 4.024 -5.087 1.00 14.08 N ATOM 1185 CA MET A 77 1.350 3.103 -4.023 1.00 14.12 C ATOM 1186 C MET A 77 2.513 3.757 -3.273 1.00 11.37 C ATOM 1187 O MET A 77 3.638 3.764 -3.732 1.00 11.44 O ATOM 1188 CB MET A 77 1.817 1.786 -4.644 1.00 16.48 C ATOM 1189 CG MET A 77 2.285 2.037 -6.073 1.00 24.75 C ATOM 1190 SD MET A 77 3.199 0.597 -6.677 1.00 35.11 S ATOM 1191 CE MET A 77 4.550 0.665 -5.475 1.00 33.86 C ATOM 0 H MET A 77 1.462 4.821 -5.285 1.00 14.08 H new ATOM 0 HA MET A 77 0.537 2.900 -3.326 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.628 1.360 -4.054 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.004 1.060 -4.638 1.00 16.48 H new ATOM 0 HG2 MET A 77 1.428 2.232 -6.718 1.00 24.75 H new ATOM 0 HG3 MET A 77 2.919 2.923 -6.108 1.00 24.75 H new ATOM 0 HE1 MET A 77 5.481 0.364 -5.956 1.00 33.86 H new ATOM 0 HE2 MET A 77 4.650 1.682 -5.097 1.00 33.86 H new ATOM 0 HE3 MET A 77 4.335 -0.010 -4.647 1.00 33.86 H new ATOM 1201 N ILE A 78 2.237 4.306 -2.122 1.00 11.78 N ATOM 1202 CA ILE A 78 3.301 4.972 -1.308 1.00 11.62 C ATOM 1203 C ILE A 78 4.625 4.203 -1.430 1.00 11.45 C ATOM 1204 O ILE A 78 5.603 4.703 -1.946 1.00 12.59 O ATOM 1205 CB ILE A 78 2.838 5.018 0.160 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.032 6.297 0.394 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.038 5.000 1.109 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.858 5.999 1.330 1.00 13.67 C ATOM 0 H ILE A 78 1.307 4.323 -1.703 1.00 11.78 H new ATOM 0 HA ILE A 78 3.467 5.986 -1.673 1.00 11.62 H new ATOM 0 HB ILE A 78 2.222 4.141 0.359 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.670 7.067 0.828 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.664 6.686 -0.555 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.687 5.033 2.140 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.613 4.088 0.951 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.670 5.866 0.913 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.284 6.911 1.496 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.215 5.243 0.878 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.237 5.630 2.283 1.00 13.67 H new ATOM 1220 N ASP A 79 4.641 2.999 -0.946 1.00 10.05 N ATOM 1221 CA ASP A 79 5.872 2.148 -0.998 1.00 14.79 C ATOM 1222 C ASP A 79 6.781 2.468 0.192 1.00 15.20 C ATOM 1223 O ASP A 79 7.286 1.587 0.860 1.00 18.10 O ATOM 1224 CB ASP A 79 6.619 2.403 -2.304 1.00 12.21 C ATOM 1225 CG ASP A 79 7.601 1.260 -2.565 1.00 17.52 C ATOM 1226 OD1 ASP A 79 8.390 0.970 -1.682 1.00 24.06 O ATOM 1227 OD2 ASP A 79 7.547 0.694 -3.645 1.00 21.87 O ATOM 0 H ASP A 79 3.838 2.552 -0.505 1.00 10.05 H new ATOM 0 HA ASP A 79 5.582 1.098 -0.949 1.00 14.79 H new ATOM 0 HB2 ASP A 79 5.912 2.484 -3.129 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.155 3.351 -2.249 1.00 12.21 H new ATOM 1232 N ARG A 80 6.980 3.722 0.464 1.00 17.08 N ATOM 1233 CA ARG A 80 7.843 4.124 1.616 1.00 17.14 C ATOM 1234 C ARG A 80 7.763 5.638 1.776 1.00 14.98 C ATOM 1235 O ARG A 80 8.710 6.362 1.550 1.00 16.47 O ATOM 1236 CB ARG A 80 9.291 3.701 1.366 1.00 17.78 C ATOM 1237 CG ARG A 80 10.142 4.082 2.578 1.00 22.76 C ATOM 1238 CD ARG A 80 10.302 2.868 3.495 1.00 28.43 C ATOM 1239 NE ARG A 80 9.371 2.997 4.652 1.00 33.10 N ATOM 1240 CZ ARG A 80 9.122 1.965 5.414 1.00 30.84 C ATOM 1241 NH1 ARG A 80 9.694 0.816 5.171 1.00 33.12 N ATOM 1242 NH2 ARG A 80 8.303 2.084 6.423 1.00 35.04 N ATOM 0 H ARG A 80 6.580 4.498 -0.064 1.00 17.08 H new ATOM 0 HA ARG A 80 7.495 3.633 2.525 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.344 2.626 1.193 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.675 4.188 0.469 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.120 4.435 2.252 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.672 4.902 3.122 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.091 1.952 2.944 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.331 2.798 3.848 1.00 28.43 H new ATOM 0 HE ARG A 80 8.927 3.894 4.850 1.00 33.10 H new ATOM 0 HH11 ARG A 80 10.337 0.723 4.385 1.00 33.12 H new ATOM 0 HH12 ARG A 80 9.498 0.012 5.768 1.00 33.12 H new ATOM 0 HH21 ARG A 80 7.858 2.981 6.616 1.00 35.04 H new ATOM 0 HH22 ARG A 80 8.107 1.280 7.019 1.00 35.04 H new ATOM 1256 N LEU A 81 6.614 6.098 2.155 1.00 11.03 N ATOM 1257 CA LEU A 81 6.369 7.551 2.328 1.00 11.27 C ATOM 1258 C LEU A 81 7.557 8.257 2.993 1.00 15.61 C ATOM 1259 O LEU A 81 8.003 7.888 4.061 1.00 18.56 O ATOM 1260 CB LEU A 81 5.112 7.725 3.172 1.00 13.62 C ATOM 1261 CG LEU A 81 5.449 7.560 4.650 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.166 7.683 5.474 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.067 6.173 4.873 1.00 18.72 C ATOM 0 H LEU A 81 5.806 5.509 2.359 1.00 11.03 H new ATOM 0 HA LEU A 81 6.239 8.007 1.347 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.680 8.710 2.997 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.362 6.991 2.877 1.00 13.62 H new ATOM 0 HG LEU A 81 6.157 8.330 4.957 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.400 7.566 6.532 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.719 8.663 5.308 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.463 6.908 5.170 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.310 6.049 5.928 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.355 5.405 4.572 1.00 18.72 H new ATOM 0 HD23 LEU A 81 6.975 6.079 4.278 1.00 18.72 H new ATOM 1275 N ARG A 82 8.045 9.299 2.375 1.00 13.37 N ATOM 1276 CA ARG A 82 9.174 10.067 2.971 1.00 12.72 C ATOM 1277 C ARG A 82 8.577 11.227 3.769 1.00 13.33 C ATOM 1278 O ARG A 82 8.004 12.142 3.215 1.00 13.27 O ATOM 1279 CB ARG A 82 10.078 10.612 1.862 1.00 13.85 C ATOM 1280 CG ARG A 82 11.207 11.439 2.482 1.00 16.22 C ATOM 1281 CD ARG A 82 12.361 11.561 1.484 1.00 16.62 C ATOM 1282 NE ARG A 82 12.687 13.001 1.274 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.811 13.343 0.702 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.655 12.426 0.311 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.091 14.605 0.521 1.00 16.89 N ATOM 0 H ARG A 82 7.708 9.652 1.479 1.00 13.37 H new ATOM 0 HA ARG A 82 9.772 9.425 3.617 1.00 12.72 H new ATOM 0 HB2 ARG A 82 10.493 9.789 1.280 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.497 11.228 1.175 1.00 13.85 H new ATOM 0 HG2 ARG A 82 10.840 12.429 2.752 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.555 10.967 3.400 1.00 16.22 H new ATOM 0 HD2 ARG A 82 13.236 11.030 1.857 1.00 16.62 H new ATOM 0 HD3 ARG A 82 12.087 11.097 0.536 1.00 16.62 H new ATOM 0 HE ARG A 82 12.031 13.721 1.578 1.00 15.85 H new ATOM 0 HH11 ARG A 82 14.438 11.439 0.452 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.531 12.696 -0.135 1.00 20.55 H new ATOM 0 HH21 ARG A 82 13.433 15.322 0.826 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.968 14.874 0.075 1.00 16.89 H new ATOM 1299 N LEU A 83 8.671 11.181 5.065 1.00 13.53 N ATOM 1300 CA LEU A 83 8.069 12.266 5.890 1.00 13.86 C ATOM 1301 C LEU A 83 8.978 13.496 5.931 1.00 13.02 C ATOM 1302 O LEU A 83 10.185 13.407 5.837 1.00 14.40 O ATOM 1303 CB LEU A 83 7.825 11.755 7.312 1.00 9.93 C ATOM 1304 CG LEU A 83 7.095 12.819 8.115 1.00 8.07 C ATOM 1305 CD1 LEU A 83 5.594 12.737 7.829 1.00 8.88 C ATOM 1306 CD2 LEU A 83 7.348 12.588 9.607 1.00 10.58 C ATOM 0 H LEU A 83 9.137 10.442 5.591 1.00 13.53 H new ATOM 0 HA LEU A 83 7.122 12.557 5.436 1.00 13.86 H new ATOM 0 HB2 LEU A 83 7.237 10.838 7.284 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.774 11.511 7.790 1.00 9.93 H new ATOM 0 HG LEU A 83 7.461 13.806 7.832 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.072 13.500 8.405 1.00 8.88 H new ATOM 0 HD12 LEU A 83 5.417 12.900 6.766 1.00 8.88 H new ATOM 0 HD13 LEU A 83 5.223 11.752 8.112 1.00 8.88 H new ATOM 0 HD21 LEU A 83 6.826 13.349 10.187 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.981 11.601 9.890 1.00 10.58 H new ATOM 0 HD23 LEU A 83 8.418 12.649 9.808 1.00 10.58 H new ATOM 1318 N VAL A 84 8.382 14.649 6.071 1.00 11.81 N ATOM 1319 CA VAL A 84 9.153 15.913 6.126 1.00 12.86 C ATOM 1320 C VAL A 84 8.415 16.883 7.057 1.00 14.98 C ATOM 1321 O VAL A 84 7.227 16.746 7.257 1.00 13.59 O ATOM 1322 CB VAL A 84 9.217 16.501 4.718 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.834 15.478 3.763 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.802 16.850 4.248 1.00 17.34 C ATOM 0 H VAL A 84 7.372 14.765 6.151 1.00 11.81 H new ATOM 0 HA VAL A 84 10.163 15.740 6.497 1.00 12.86 H new ATOM 0 HB VAL A 84 9.831 17.402 4.728 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.879 15.899 2.759 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.841 15.229 4.098 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.222 14.576 3.751 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.846 17.270 3.243 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.189 15.949 4.238 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.363 17.580 4.928 1.00 17.34 H new ATOM 1334 N PRO A 85 9.124 17.843 7.588 1.00 18.65 N ATOM 1335 CA PRO A 85 8.530 18.850 8.483 1.00 22.41 C ATOM 1336 C PRO A 85 7.467 19.669 7.734 1.00 25.70 C ATOM 1337 O PRO A 85 7.612 19.971 6.566 1.00 22.08 O ATOM 1338 CB PRO A 85 9.726 19.692 8.933 1.00 21.19 C ATOM 1339 CG PRO A 85 10.830 19.439 7.894 1.00 18.95 C ATOM 1340 CD PRO A 85 10.559 18.031 7.337 1.00 20.63 C ATOM 0 HA PRO A 85 8.004 18.424 9.337 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.465 20.749 8.977 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.055 19.403 9.931 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.801 20.186 7.101 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.818 19.497 8.350 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.794 17.966 6.275 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.159 17.275 7.843 1.00 20.63 H new ATOM 1348 N ALA A 86 6.388 20.008 8.394 1.00 31.74 N ATOM 1349 CA ALA A 86 5.301 20.782 7.722 1.00 39.94 C ATOM 1350 C ALA A 86 5.717 22.248 7.589 1.00 46.96 C ATOM 1351 O ALA A 86 5.910 22.939 8.570 1.00 49.29 O ATOM 1352 CB ALA A 86 4.022 20.688 8.560 1.00 39.70 C ATOM 0 H ALA A 86 6.213 19.781 9.373 1.00 31.74 H new ATOM 0 HA ALA A 86 5.121 20.369 6.730 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.226 21.251 8.073 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.723 19.644 8.652 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.205 21.102 9.552 1.00 39.70 H new ATOM 1358 N LYS A 87 5.857 22.729 6.385 1.00 51.78 N ATOM 1359 CA LYS A 87 6.260 24.151 6.193 1.00 55.12 C ATOM 1360 C LYS A 87 5.324 25.058 6.995 1.00 55.82 C ATOM 1361 O LYS A 87 5.813 26.007 7.586 1.00 58.05 O ATOM 1362 CB LYS A 87 6.172 24.511 4.709 1.00 52.96 C ATOM 1363 CG LYS A 87 7.398 25.333 4.308 1.00 55.49 C ATOM 1364 CD LYS A 87 8.409 24.429 3.600 1.00 56.64 C ATOM 1365 CE LYS A 87 8.921 25.125 2.337 1.00 58.91 C ATOM 1366 NZ LYS A 87 9.093 24.120 1.250 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.134 24.789 7.004 1.00 57.66 O ATOM 0 H LYS A 87 5.710 22.199 5.526 1.00 51.78 H new ATOM 0 HA LYS A 87 7.284 24.288 6.539 1.00 55.12 H new ATOM 0 HB2 LYS A 87 6.117 23.604 4.107 1.00 52.96 H new ATOM 0 HB3 LYS A 87 5.262 25.078 4.515 1.00 52.96 H new ATOM 0 HG2 LYS A 87 7.102 26.150 3.650 1.00 55.49 H new ATOM 0 HG3 LYS A 87 7.852 25.783 5.191 1.00 55.49 H new ATOM 0 HD2 LYS A 87 9.241 24.205 4.267 1.00 56.64 H new ATOM 0 HD3 LYS A 87 7.943 23.478 3.340 1.00 56.64 H new ATOM 0 HE2 LYS A 87 8.218 25.898 2.025 1.00 58.91 H new ATOM 0 HE3 LYS A 87 9.870 25.621 2.542 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 9.441 24.593 0.392 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 9.779 23.398 1.550 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 8.179 23.666 1.049 1.00 58.16 H new ATOM 1382 N MET B 1 2.738 18.011 -2.702 1.00 42.32 N ATOM 1383 CA MET B 1 1.354 17.628 -3.102 1.00 40.89 C ATOM 1384 C MET B 1 1.414 16.587 -4.219 1.00 34.75 C ATOM 1385 O MET B 1 2.085 16.768 -5.215 1.00 33.97 O ATOM 1386 CB MET B 1 0.605 18.865 -3.607 1.00 48.45 C ATOM 1387 CG MET B 1 -0.718 18.440 -4.254 1.00 56.13 C ATOM 1388 SD MET B 1 -2.076 19.375 -3.507 1.00 64.91 S ATOM 1389 CE MET B 1 -1.830 18.808 -1.806 1.00 63.43 C ATOM 0 H1 MET B 1 2.696 18.719 -1.942 1.00 42.32 H new ATOM 0 H2 MET B 1 3.247 17.170 -2.363 1.00 42.32 H new ATOM 0 H3 MET B 1 3.238 18.412 -3.521 1.00 42.32 H new ATOM 0 HA MET B 1 0.833 17.211 -2.240 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.413 19.549 -2.780 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.218 19.403 -4.330 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.685 18.620 -5.329 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.877 17.371 -4.115 1.00 56.13 H new ATOM 0 HE1 MET B 1 -2.796 18.713 -1.311 1.00 63.43 H new ATOM 0 HE2 MET B 1 -1.330 17.840 -1.814 1.00 63.43 H new ATOM 0 HE3 MET B 1 -1.216 19.529 -1.267 1.00 63.43 H new ATOM 1401 N ILE B 2 0.703 15.505 -4.069 1.00 28.59 N ATOM 1402 CA ILE B 2 0.707 14.465 -5.134 1.00 24.58 C ATOM 1403 C ILE B 2 -0.028 15.032 -6.347 1.00 19.29 C ATOM 1404 O ILE B 2 -1.205 14.808 -6.540 1.00 19.53 O ATOM 1405 CB ILE B 2 0.000 13.210 -4.625 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.499 12.875 -3.219 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.306 12.037 -5.556 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.635 12.246 -2.423 1.00 33.80 C ATOM 0 H ILE B 2 0.121 15.296 -3.258 1.00 28.59 H new ATOM 0 HA ILE B 2 1.727 14.197 -5.408 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.075 13.389 -4.600 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.345 12.190 -3.274 1.00 28.92 H new ATOM 0 HG13 ILE B 2 0.852 13.778 -2.721 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.199 11.142 -5.192 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.046 12.269 -6.561 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.382 11.862 -5.580 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.285 12.005 -1.419 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.467 12.947 -2.358 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.967 11.334 -2.920 1.00 33.80 H new ATOM 1420 N LYS B 3 0.662 15.801 -7.143 1.00 18.14 N ATOM 1421 CA LYS B 3 0.022 16.438 -8.329 1.00 16.66 C ATOM 1422 C LYS B 3 -0.557 15.396 -9.280 1.00 14.94 C ATOM 1423 O LYS B 3 -0.145 14.254 -9.309 1.00 13.94 O ATOM 1424 CB LYS B 3 1.057 17.286 -9.071 1.00 16.94 C ATOM 1425 CG LYS B 3 0.917 18.750 -8.651 1.00 17.85 C ATOM 1426 CD LYS B 3 0.742 19.624 -9.895 1.00 19.63 C ATOM 1427 CE LYS B 3 1.158 21.061 -9.575 1.00 26.28 C ATOM 1428 NZ LYS B 3 1.865 21.647 -10.749 1.00 32.72 N ATOM 0 H LYS B 3 1.651 16.017 -7.022 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.797 17.065 -7.976 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.062 16.928 -8.849 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.916 17.191 -10.148 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.061 18.869 -7.987 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.799 19.065 -8.093 1.00 17.85 H new ATOM 0 HD2 LYS B 3 1.346 19.234 -10.714 1.00 19.63 H new ATOM 0 HD3 LYS B 3 -0.296 19.600 -10.225 1.00 19.63 H new ATOM 0 HE2 LYS B 3 0.280 21.659 -9.330 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.808 21.076 -8.700 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.148 22.624 -10.532 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 2.711 21.081 -10.963 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 1.230 21.646 -11.573 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.520 15.807 -10.063 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.164 14.885 -11.033 1.00 12.99 C ATOM 1444 C VAL B 4 -2.855 15.704 -12.122 1.00 14.26 C ATOM 1445 O VAL B 4 -3.035 16.899 -11.997 1.00 13.80 O ATOM 1446 CB VAL B 4 -3.206 14.025 -10.316 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.824 13.033 -11.305 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.549 13.261 -9.166 1.00 10.41 C ATOM 0 H VAL B 4 -1.890 16.758 -10.068 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.405 14.240 -11.477 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.987 14.671 -9.916 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.566 12.422 -10.791 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.303 13.580 -12.117 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.043 12.390 -11.712 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.297 12.651 -8.660 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.762 12.618 -9.559 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -2.119 13.969 -8.458 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.247 15.067 -13.187 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.930 15.792 -14.294 1.00 10.51 C ATOM 1460 C GLU B 5 -4.847 14.833 -15.031 1.00 10.00 C ATOM 1461 O GLU B 5 -4.423 14.046 -15.852 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.887 16.350 -15.257 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.311 17.631 -14.666 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.186 18.153 -15.561 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.494 18.716 -16.599 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -0.035 17.982 -15.194 1.00 22.12 O ATOM 0 H GLU B 5 -3.123 14.066 -13.340 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.518 16.614 -13.886 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.095 15.620 -15.420 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.339 16.552 -16.228 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.094 18.384 -14.573 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.931 17.441 -13.662 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.108 14.897 -14.749 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.055 13.988 -15.451 1.00 10.60 C ATOM 1475 C ILE B 6 -7.087 14.394 -16.930 1.00 10.16 C ATOM 1476 O ILE B 6 -7.685 15.385 -17.300 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.455 14.074 -14.800 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.618 12.904 -13.825 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.555 13.987 -15.856 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.245 13.349 -12.410 1.00 13.81 C ATOM 0 H ILE B 6 -6.528 15.532 -14.070 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.732 12.950 -15.371 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.541 15.029 -14.282 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.647 12.545 -13.843 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.985 12.072 -14.133 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.530 14.050 -15.372 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.447 14.810 -16.563 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.475 13.039 -16.388 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.363 12.512 -11.722 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.209 13.686 -12.396 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.897 14.167 -12.102 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.431 13.640 -17.776 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.406 13.988 -19.220 1.00 11.59 C ATOM 1494 C LYS B 7 -7.829 14.241 -19.713 1.00 12.98 C ATOM 1495 O LYS B 7 -8.782 13.792 -19.108 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.793 12.825 -20.003 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.369 12.576 -19.516 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.484 13.762 -19.902 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.488 14.792 -18.772 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.089 15.208 -18.474 1.00 25.43 N ATOM 0 H LYS B 7 -5.913 12.799 -17.524 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.810 14.889 -19.369 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.396 11.926 -19.871 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -5.789 13.053 -21.069 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.362 12.440 -18.435 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -3.978 11.658 -19.956 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -2.466 13.422 -20.095 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.848 14.216 -20.823 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -4.083 15.659 -19.058 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.950 14.368 -17.881 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -2.099 16.003 -17.804 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -1.571 14.409 -18.056 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -1.619 15.503 -19.354 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.929 14.945 -20.809 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.225 15.264 -21.423 1.00 11.93 C ATOM 1516 C PRO B 8 -9.761 14.029 -22.146 1.00 10.20 C ATOM 1517 O PRO B 8 -10.854 14.029 -22.678 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.895 16.392 -22.404 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.382 16.277 -22.706 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.763 15.481 -21.542 1.00 13.61 C ATOM 0 HA PRO B 8 -9.992 15.560 -20.708 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.482 16.297 -23.317 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.132 17.364 -21.972 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.214 15.770 -23.656 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.926 17.264 -22.787 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.119 14.680 -21.905 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.151 16.119 -20.905 1.00 13.61 H new ATOM 1528 N SER B 9 -8.995 12.970 -22.161 1.00 10.65 N ATOM 1529 CA SER B 9 -9.452 11.727 -22.839 1.00 10.83 C ATOM 1530 C SER B 9 -10.114 10.804 -21.815 1.00 10.94 C ATOM 1531 O SER B 9 -10.737 9.820 -22.163 1.00 13.16 O ATOM 1532 CB SER B 9 -8.254 11.019 -23.471 1.00 13.01 C ATOM 1533 OG SER B 9 -8.592 10.605 -24.788 1.00 15.52 O ATOM 0 H SER B 9 -8.071 12.915 -21.732 1.00 10.65 H new ATOM 0 HA SER B 9 -10.172 11.980 -23.617 1.00 10.83 H new ATOM 0 HB2 SER B 9 -7.394 11.689 -23.498 1.00 13.01 H new ATOM 0 HB3 SER B 9 -7.968 10.157 -22.869 1.00 13.01 H new ATOM 0 HG SER B 9 -7.824 10.152 -25.196 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.991 11.117 -20.555 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.620 10.265 -19.512 1.00 11.55 C ATOM 1541 C GLN B 10 -11.963 10.885 -19.109 1.00 13.72 C ATOM 1542 O GLN B 10 -13.008 10.426 -19.524 1.00 17.31 O ATOM 1543 CB GLN B 10 -9.698 10.176 -18.294 1.00 6.60 C ATOM 1544 CG GLN B 10 -8.281 9.848 -18.760 1.00 7.20 C ATOM 1545 CD GLN B 10 -8.237 8.418 -19.301 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -9.259 7.775 -19.435 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.087 7.889 -19.620 1.00 4.80 N ATOM 0 H GLN B 10 -9.481 11.928 -20.204 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.784 9.260 -19.902 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -9.705 11.119 -17.748 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -10.055 9.408 -17.608 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.970 10.550 -19.534 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -7.581 9.956 -17.932 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.229 8.429 -19.508 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.047 6.936 -19.982 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.920 11.936 -18.321 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.165 12.643 -17.869 1.00 18.95 C ATOM 1558 C ALA B 11 -14.379 11.712 -17.920 1.00 20.75 C ATOM 1559 O ALA B 11 -15.435 12.081 -18.395 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.416 13.850 -18.773 1.00 17.72 C ATOM 0 H ALA B 11 -11.055 12.342 -17.964 1.00 15.28 H new ATOM 0 HA ALA B 11 -13.022 12.966 -16.838 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -14.319 14.366 -18.448 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.567 14.532 -18.714 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.540 13.514 -19.802 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.239 10.510 -17.440 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.389 9.561 -17.470 1.00 25.43 C ATOM 1568 C GLN B 12 -14.976 8.230 -16.825 1.00 22.80 C ATOM 1569 O GLN B 12 -13.936 7.683 -17.134 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.804 9.320 -18.927 1.00 30.18 C ATOM 1571 CG GLN B 12 -14.879 8.278 -19.553 1.00 42.11 C ATOM 1572 CD GLN B 12 -14.960 8.364 -21.077 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -14.037 7.981 -21.769 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -16.033 8.855 -21.634 1.00 47.90 N ATOM 0 H GLN B 12 -13.381 10.142 -17.029 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.227 9.983 -16.915 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.838 8.977 -18.970 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.753 10.252 -19.490 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -13.853 8.444 -19.224 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -15.163 7.280 -19.220 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -16.808 9.176 -21.053 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -16.097 8.917 -22.650 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.775 7.701 -15.941 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.418 6.414 -15.299 1.00 20.51 C ATOM 1585 C PHE B 13 -16.127 5.271 -16.018 1.00 18.83 C ATOM 1586 O PHE B 13 -17.159 5.453 -16.634 1.00 18.83 O ATOM 1587 CB PHE B 13 -15.894 6.441 -13.858 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.362 6.793 -13.862 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.319 5.801 -14.102 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -17.766 8.116 -13.638 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -19.678 6.131 -14.116 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.124 8.445 -13.654 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.079 7.454 -13.893 1.00 18.48 C ATOM 0 H PHE B 13 -16.660 8.108 -15.638 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.339 6.269 -15.346 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.735 5.472 -13.385 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.327 7.173 -13.282 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.009 4.781 -14.276 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.027 8.882 -13.453 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.418 5.366 -14.299 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.435 9.465 -13.482 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.128 7.709 -13.906 1.00 18.48 H new ATOM 1603 N THR B 14 -15.596 4.090 -15.921 1.00 14.89 N ATOM 1604 CA THR B 14 -16.249 2.926 -16.570 1.00 13.37 C ATOM 1605 C THR B 14 -16.486 1.848 -15.515 1.00 11.97 C ATOM 1606 O THR B 14 -15.915 1.882 -14.443 1.00 10.76 O ATOM 1607 CB THR B 14 -15.351 2.373 -17.678 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.993 1.264 -18.294 1.00 13.48 O ATOM 1609 CG2 THR B 14 -14.017 1.925 -17.081 1.00 9.24 C ATOM 0 H THR B 14 -14.734 3.879 -15.418 1.00 14.89 H new ATOM 0 HA THR B 14 -17.198 3.234 -17.010 1.00 13.37 H new ATOM 0 HB THR B 14 -15.170 3.149 -18.422 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.421 0.909 -19.006 1.00 13.48 H new ATOM 0 HG21 THR B 14 -13.378 1.531 -17.872 1.00 9.24 H new ATOM 0 HG22 THR B 14 -13.526 2.776 -16.608 1.00 9.24 H new ATOM 0 HG23 THR B 14 -14.194 1.148 -16.337 1.00 9.24 H new ATOM 1617 N THR B 15 -17.322 0.893 -15.802 1.00 13.20 N ATOM 1618 CA THR B 15 -17.588 -0.177 -14.803 1.00 12.54 C ATOM 1619 C THR B 15 -16.535 -1.278 -14.940 1.00 14.34 C ATOM 1620 O THR B 15 -16.489 -1.989 -15.924 1.00 17.35 O ATOM 1621 CB THR B 15 -18.979 -0.766 -15.047 1.00 11.88 C ATOM 1622 OG1 THR B 15 -19.804 0.211 -15.665 1.00 17.15 O ATOM 1623 CG2 THR B 15 -19.594 -1.188 -13.713 1.00 8.30 C ATOM 0 H THR B 15 -17.831 0.806 -16.681 1.00 13.20 H new ATOM 0 HA THR B 15 -17.542 0.244 -13.799 1.00 12.54 H new ATOM 0 HB THR B 15 -18.898 -1.636 -15.699 1.00 11.88 H new ATOM 0 HG1 THR B 15 -20.695 -0.166 -15.823 1.00 17.15 H new ATOM 0 HG21 THR B 15 -20.585 -1.608 -13.886 1.00 8.30 H new ATOM 0 HG22 THR B 15 -18.959 -1.938 -13.241 1.00 8.30 H new ATOM 0 HG23 THR B 15 -19.677 -0.320 -13.060 1.00 8.30 H new ATOM 1816 N LEU B 28 -17.402 -1.361 -9.333 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.551 0.091 -9.035 1.00 16.31 C ATOM 1818 C LEU B 28 -16.877 0.936 -10.120 1.00 14.21 C ATOM 1819 O LEU B 28 -15.797 0.628 -10.585 1.00 16.97 O ATOM 1820 CB LEU B 28 -16.908 0.387 -7.682 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.806 1.331 -6.882 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.268 0.630 -5.602 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.022 2.594 -6.519 1.00 22.01 C ATOM 0 HA LEU B 28 -18.611 0.344 -9.010 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.755 -0.540 -7.130 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -15.926 0.838 -7.826 1.00 16.48 H new ATOM 0 HG LEU B 28 -18.675 1.603 -7.481 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.908 1.302 -5.030 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.826 -0.270 -5.861 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.399 0.359 -5.002 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -17.661 3.268 -5.949 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.153 2.323 -5.919 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -16.692 3.092 -7.431 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.512 2.006 -10.520 1.00 11.64 N ATOM 1836 CA ASN B 29 -16.922 2.889 -11.570 1.00 9.77 C ATOM 1837 C ASN B 29 -15.423 3.077 -11.313 1.00 7.94 C ATOM 1838 O ASN B 29 -14.937 2.885 -10.216 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.607 4.266 -11.564 1.00 14.73 C ATOM 1840 CG ASN B 29 -18.294 4.536 -10.222 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -17.977 3.928 -9.220 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.232 5.442 -10.163 1.00 12.89 N ATOM 0 H ASN B 29 -18.418 2.308 -10.163 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.075 2.416 -12.540 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -16.869 5.043 -11.761 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.342 4.313 -12.368 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -19.697 5.638 -9.276 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.500 5.954 -11.003 1.00 12.89 H new ATOM 1849 N GLU B 30 -14.693 3.457 -12.326 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.225 3.673 -12.173 1.00 13.16 C ATOM 1851 C GLU B 30 -12.750 4.629 -13.273 1.00 12.26 C ATOM 1852 O GLU B 30 -13.151 4.517 -14.415 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.494 2.334 -12.301 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.389 1.676 -10.923 1.00 27.13 C ATOM 1855 CD GLU B 30 -11.366 0.541 -10.974 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.712 -0.520 -11.469 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -10.255 0.751 -10.518 1.00 38.01 O ATOM 0 H GLU B 30 -15.055 3.629 -13.264 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.012 4.102 -11.194 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.030 1.679 -12.988 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.499 2.489 -12.718 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.092 2.414 -10.178 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.361 1.289 -10.618 1.00 27.13 H new ATOM 1864 N GLN B 31 -11.911 5.576 -12.944 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.437 6.538 -13.984 1.00 9.46 C ATOM 1866 C GLN B 31 -9.913 6.476 -14.111 1.00 10.09 C ATOM 1867 O GLN B 31 -9.269 5.571 -13.618 1.00 9.36 O ATOM 1868 CB GLN B 31 -11.849 7.960 -13.586 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.363 8.717 -14.815 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.441 9.901 -15.110 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.275 9.721 -15.402 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.917 11.115 -15.045 1.00 12.39 N ATOM 0 H GLN B 31 -11.535 5.725 -12.007 1.00 10.34 H new ATOM 0 HA GLN B 31 -11.886 6.272 -14.941 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.624 7.923 -12.821 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -10.999 8.487 -13.153 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.402 8.050 -15.676 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.379 9.069 -14.639 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.895 11.267 -14.800 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.310 11.912 -15.239 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.339 7.442 -14.775 1.00 6.80 N ATOM 1882 CA LEU B 32 -7.860 7.469 -14.951 1.00 10.34 C ATOM 1883 C LEU B 32 -7.330 8.833 -14.489 1.00 9.02 C ATOM 1884 O LEU B 32 -8.094 9.709 -14.135 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.535 7.247 -16.430 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.187 5.945 -16.899 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.603 6.234 -17.403 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.356 5.337 -18.033 1.00 15.89 C ATOM 0 H LEU B 32 -9.837 8.221 -15.207 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.389 6.684 -14.359 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -7.900 8.085 -17.024 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.456 7.200 -16.574 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.235 5.243 -16.066 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -10.067 5.306 -17.737 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.195 6.666 -16.596 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.557 6.936 -18.235 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.820 4.409 -18.367 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.308 6.039 -18.865 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.348 5.129 -17.674 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.035 9.027 -14.478 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.488 10.332 -14.027 1.00 8.10 C ATOM 1902 C CYS B 33 -3.994 10.362 -14.326 1.00 6.34 C ATOM 1903 O CYS B 33 -3.369 9.338 -14.504 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.697 10.515 -12.516 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.084 8.931 -11.723 1.00 13.84 S ATOM 0 H CYS B 33 -5.339 8.337 -14.762 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.005 11.135 -14.552 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.799 10.941 -12.069 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.507 11.223 -12.339 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.637 7.957 -12.459 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.414 11.524 -14.379 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.959 11.611 -14.666 1.00 7.08 C ATOM 1913 C TYR B 34 -1.233 12.119 -13.426 1.00 7.71 C ATOM 1914 O TYR B 34 -1.004 13.302 -13.275 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.732 12.597 -15.801 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.790 11.894 -17.138 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -2.657 10.821 -17.347 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -0.965 12.346 -18.178 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -2.697 10.197 -18.599 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -1.005 11.722 -19.423 1.00 16.38 C ATOM 1921 CZ TYR B 34 -1.869 10.650 -19.634 1.00 16.83 C ATOM 1922 OH TYR B 34 -1.909 10.032 -20.867 1.00 21.14 O ATOM 0 H TYR B 34 -3.884 12.418 -14.236 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.582 10.627 -14.944 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.487 13.382 -15.764 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.763 13.081 -15.681 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.294 10.474 -16.547 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -0.298 13.179 -18.014 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -3.366 9.366 -18.767 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -0.367 12.069 -20.223 1.00 16.38 H new ATOM 0 HH TYR B 34 -1.274 10.469 -21.472 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.871 11.244 -12.535 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.166 11.699 -11.307 1.00 10.66 C ATOM 1934 C VAL B 35 1.323 11.865 -11.585 1.00 10.57 C ATOM 1935 O VAL B 35 2.042 10.905 -11.778 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.364 10.686 -10.181 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.351 11.190 -8.924 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.860 10.539 -9.895 1.00 9.86 C ATOM 0 H VAL B 35 -1.031 10.239 -12.602 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.583 12.660 -11.004 1.00 10.66 H new ATOM 0 HB VAL B 35 0.047 9.720 -10.473 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.214 10.472 -8.115 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.415 11.304 -9.132 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.067 12.153 -8.629 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.008 9.817 -9.092 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.270 11.504 -9.596 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.370 10.191 -10.794 1.00 9.86 H new ATOM 1948 N ASP B 36 1.796 13.081 -11.594 1.00 8.58 N ATOM 1949 CA ASP B 36 3.238 13.308 -11.836 1.00 11.48 C ATOM 1950 C ASP B 36 4.018 12.460 -10.835 1.00 12.38 C ATOM 1951 O ASP B 36 5.072 11.936 -11.131 1.00 11.89 O ATOM 1952 CB ASP B 36 3.569 14.788 -11.628 1.00 16.17 C ATOM 1953 CG ASP B 36 4.997 15.066 -12.099 1.00 17.97 C ATOM 1954 OD1 ASP B 36 5.835 14.196 -11.930 1.00 25.89 O ATOM 1955 OD2 ASP B 36 5.227 16.144 -12.622 1.00 15.67 O ATOM 0 H ASP B 36 1.242 13.924 -11.444 1.00 8.58 H new ATOM 0 HA ASP B 36 3.502 13.032 -12.857 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.865 15.410 -12.182 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.465 15.050 -10.575 1.00 16.17 H new ATOM 1960 N LEU B 37 3.485 12.314 -9.650 1.00 13.17 N ATOM 1961 CA LEU B 37 4.165 11.493 -8.613 1.00 18.47 C ATOM 1962 C LEU B 37 5.667 11.766 -8.643 1.00 21.14 C ATOM 1963 O LEU B 37 6.473 10.888 -8.404 1.00 24.24 O ATOM 1964 CB LEU B 37 3.905 10.013 -8.896 1.00 15.81 C ATOM 1965 CG LEU B 37 4.555 9.162 -7.807 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.497 8.262 -7.164 1.00 14.72 C ATOM 1967 CD2 LEU B 37 5.652 8.298 -8.432 1.00 20.01 C ATOM 0 H LEU B 37 2.602 12.732 -9.357 1.00 13.17 H new ATOM 0 HA LEU B 37 3.776 11.752 -7.628 1.00 18.47 H new ATOM 0 HB2 LEU B 37 2.832 9.822 -8.930 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.308 9.743 -9.872 1.00 15.81 H new ATOM 0 HG LEU B 37 4.989 9.809 -7.045 1.00 20.59 H new ATOM 0 HD11 LEU B 37 3.960 7.654 -6.387 1.00 14.72 H new ATOM 0 HD12 LEU B 37 2.713 8.879 -6.724 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.063 7.611 -7.923 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.120 7.688 -7.659 1.00 20.01 H new ATOM 0 HD22 LEU B 37 5.216 7.649 -9.191 1.00 20.01 H new ATOM 0 HD23 LEU B 37 6.403 8.940 -8.892 1.00 20.01 H new ATOM 1979 N GLY B 38 6.052 12.976 -8.935 1.00 20.70 N ATOM 1980 CA GLY B 38 7.502 13.302 -8.981 1.00 23.91 C ATOM 1981 C GLY B 38 8.205 12.347 -9.950 1.00 26.50 C ATOM 1982 O GLY B 38 9.393 12.111 -9.853 1.00 31.02 O ATOM 0 H GLY B 38 5.425 13.753 -9.144 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.644 14.334 -9.302 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.938 13.215 -7.986 1.00 23.91 H new ATOM 1986 N ASN B 39 7.476 11.789 -10.880 1.00 27.64 N ATOM 1987 CA ASN B 39 8.090 10.844 -11.849 1.00 30.27 C ATOM 1988 C ASN B 39 8.639 11.612 -13.054 1.00 26.79 C ATOM 1989 O ASN B 39 8.746 11.082 -14.138 1.00 26.87 O ATOM 1990 CB ASN B 39 7.034 9.843 -12.327 1.00 35.62 C ATOM 1991 CG ASN B 39 6.965 8.661 -11.358 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.923 8.368 -10.670 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.863 7.963 -11.275 1.00 39.63 N ATOM 0 H ASN B 39 6.477 11.950 -11.008 1.00 27.64 H new ATOM 0 HA ASN B 39 8.906 10.313 -11.358 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.061 10.330 -12.391 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.281 9.490 -13.328 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.807 7.173 -10.633 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.059 8.209 -11.852 1.00 39.63 H new ATOM 2000 N GLU B 40 8.990 12.852 -12.875 1.00 25.15 N ATOM 2001 CA GLU B 40 9.537 13.645 -14.017 1.00 23.81 C ATOM 2002 C GLU B 40 8.502 13.715 -15.147 1.00 21.12 C ATOM 2003 O GLU B 40 8.809 14.085 -16.263 1.00 19.86 O ATOM 2004 CB GLU B 40 10.811 12.975 -14.536 1.00 27.22 C ATOM 2005 CG GLU B 40 11.706 12.593 -13.355 1.00 34.87 C ATOM 2006 CD GLU B 40 13.117 12.290 -13.860 1.00 38.97 C ATOM 2007 OE1 GLU B 40 13.869 13.230 -14.057 1.00 42.34 O ATOM 2008 OE2 GLU B 40 13.421 11.122 -14.042 1.00 39.54 O ATOM 0 H GLU B 40 8.923 13.354 -11.990 1.00 25.15 H new ATOM 0 HA GLU B 40 9.765 14.655 -13.676 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.557 12.087 -15.115 1.00 27.22 H new ATOM 0 HB3 GLU B 40 11.343 13.651 -15.205 1.00 27.22 H new ATOM 0 HG2 GLU B 40 11.735 13.406 -12.629 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.297 11.722 -12.842 1.00 34.87 H new ATOM 2015 N HIS B 41 7.280 13.365 -14.861 1.00 5.16 N ATOM 2016 CA HIS B 41 6.214 13.409 -15.903 1.00 4.43 C ATOM 2017 C HIS B 41 4.927 12.842 -15.303 1.00 3.39 C ATOM 2018 O HIS B 41 4.960 12.243 -14.246 1.00 2.71 O ATOM 2019 CB HIS B 41 6.637 12.569 -17.113 1.00 5.23 C ATOM 2020 CG HIS B 41 7.467 11.397 -16.671 1.00 4.25 C ATOM 2021 ND1 HIS B 41 8.821 11.300 -16.951 1.00 4.59 N ATOM 2022 CD2 HIS B 41 7.140 10.250 -15.997 1.00 3.78 C ATOM 2023 CE1 HIS B 41 9.255 10.128 -16.453 1.00 4.05 C ATOM 2024 NE2 HIS B 41 8.269 9.448 -15.860 1.00 3.68 N ATOM 0 H HIS B 41 6.970 13.047 -13.943 1.00 5.16 H new ATOM 0 HA HIS B 41 6.053 14.436 -16.230 1.00 4.43 H new ATOM 0 HB2 HIS B 41 5.754 12.217 -17.646 1.00 5.23 H new ATOM 0 HB3 HIS B 41 7.206 13.184 -17.810 1.00 5.23 H new ATOM 0 HD2 HIS B 41 6.155 10.005 -15.628 1.00 3.78 H new ATOM 0 HE1 HIS B 41 10.275 9.779 -16.524 1.00 4.05 H new ATOM 0 HE2 HIS B 41 8.331 8.537 -15.405 1.00 3.68 H new ATOM 2032 N PRO B 42 3.825 13.042 -15.982 1.00 15.11 N ATOM 2033 CA PRO B 42 2.525 12.547 -15.508 1.00 16.08 C ATOM 2034 C PRO B 42 2.414 11.047 -15.729 1.00 17.92 C ATOM 2035 O PRO B 42 2.909 10.513 -16.702 1.00 17.13 O ATOM 2036 CB PRO B 42 1.510 13.274 -16.380 1.00 16.41 C ATOM 2037 CG PRO B 42 2.265 13.709 -17.653 1.00 13.79 C ATOM 2038 CD PRO B 42 3.762 13.761 -17.274 1.00 16.28 C ATOM 0 HA PRO B 42 2.376 12.724 -14.443 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.673 12.622 -16.628 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.097 14.138 -15.859 1.00 16.41 H new ATOM 0 HG2 PRO B 42 2.094 13.004 -18.466 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.917 14.683 -17.997 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.383 13.280 -18.030 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.115 14.788 -17.178 1.00 16.28 H new ATOM 2046 N VAL B 43 1.759 10.364 -14.844 1.00 16.29 N ATOM 2047 CA VAL B 43 1.609 8.906 -15.020 1.00 14.28 C ATOM 2048 C VAL B 43 0.130 8.563 -15.104 1.00 9.00 C ATOM 2049 O VAL B 43 -0.634 8.819 -14.194 1.00 7.99 O ATOM 2050 CB VAL B 43 2.245 8.182 -13.837 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.663 8.712 -13.617 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.405 8.427 -12.581 1.00 20.57 C ATOM 0 H VAL B 43 1.322 10.753 -14.008 1.00 16.29 H new ATOM 0 HA VAL B 43 2.106 8.591 -15.938 1.00 14.28 H new ATOM 0 HB VAL B 43 2.287 7.112 -14.043 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.118 8.195 -12.772 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.260 8.538 -14.513 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.624 9.781 -13.410 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.857 7.911 -11.734 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.364 9.496 -12.374 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.395 8.049 -12.739 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.279 7.989 -16.194 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.704 7.632 -16.349 1.00 11.55 C ATOM 2064 C LEU B 44 -2.021 6.434 -15.456 1.00 10.61 C ATOM 2065 O LEU B 44 -1.539 5.339 -15.669 1.00 13.49 O ATOM 2066 CB LEU B 44 -1.973 7.281 -17.804 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.430 6.859 -17.964 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.342 7.860 -17.251 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -3.784 6.812 -19.452 1.00 20.21 C ATOM 0 H LEU B 44 0.317 7.752 -16.987 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.334 8.472 -16.059 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.760 8.139 -18.442 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.313 6.475 -18.123 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.570 5.872 -17.524 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.381 7.553 -17.369 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.091 7.890 -16.191 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.205 8.850 -17.685 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -4.825 6.511 -19.569 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.640 7.799 -19.892 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.139 6.093 -19.957 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.825 6.638 -14.453 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.176 5.520 -13.536 1.00 9.29 C ATOM 2083 C VAL B 45 -4.698 5.477 -13.358 1.00 9.95 C ATOM 2084 O VAL B 45 -5.390 6.433 -13.648 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.471 5.736 -12.188 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.288 6.682 -11.303 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.301 4.390 -11.478 1.00 10.20 C ATOM 0 H VAL B 45 -3.256 7.534 -14.227 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.847 4.568 -13.952 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.493 6.182 -12.370 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.775 6.824 -10.352 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -3.398 7.644 -11.803 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -4.273 6.252 -11.123 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.801 4.544 -10.522 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.280 3.942 -11.308 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.701 3.725 -12.099 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.227 4.375 -12.904 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.706 4.278 -12.733 1.00 12.81 C ATOM 2099 C LYS B 46 -7.137 4.947 -11.425 1.00 13.35 C ATOM 2100 O LYS B 46 -6.352 5.137 -10.518 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.125 2.807 -12.708 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.458 2.064 -13.867 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.278 2.268 -15.142 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.387 1.216 -15.211 1.00 34.48 C ATOM 2105 NZ LYS B 46 -8.116 0.282 -16.341 1.00 36.74 N ATOM 0 H LYS B 46 -4.703 3.540 -12.644 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.188 4.786 -13.568 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.839 2.353 -11.759 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.209 2.726 -12.786 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -5.442 2.432 -14.012 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -6.382 1.001 -13.636 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.710 3.269 -15.152 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -6.634 2.190 -16.018 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.438 0.664 -14.273 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -9.354 1.700 -15.349 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.869 -0.433 -16.388 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -8.088 0.815 -17.233 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -7.201 -0.189 -16.191 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.393 5.291 -11.326 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.909 5.935 -10.089 1.00 16.93 C ATOM 2121 C ILE B 47 -10.302 5.368 -9.794 1.00 16.52 C ATOM 2122 O ILE B 47 -10.939 4.796 -10.656 1.00 17.67 O ATOM 2123 CB ILE B 47 -8.985 7.456 -10.292 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.013 8.158 -8.932 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.251 7.823 -11.069 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.795 9.071 -8.801 1.00 18.26 C ATOM 0 H ILE B 47 -9.089 5.151 -12.059 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.244 5.732 -9.250 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.109 7.777 -10.856 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.929 8.740 -8.831 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.014 7.420 -8.130 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.293 8.903 -11.206 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.235 7.334 -12.043 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.128 7.494 -10.512 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.817 9.570 -7.832 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -6.885 8.477 -8.883 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -7.813 9.818 -9.594 1.00 18.26 H new ATOM 2138 N THR B 48 -10.782 5.514 -8.592 1.00 16.86 N ATOM 2139 CA THR B 48 -12.132 4.972 -8.270 1.00 16.59 C ATOM 2140 C THR B 48 -13.175 6.085 -8.379 1.00 19.04 C ATOM 2141 O THR B 48 -12.926 7.221 -8.031 1.00 22.56 O ATOM 2142 CB THR B 48 -12.134 4.407 -6.848 1.00 16.30 C ATOM 2143 OG1 THR B 48 -10.811 4.418 -6.333 1.00 17.90 O ATOM 2144 CG2 THR B 48 -12.663 2.972 -6.870 1.00 16.02 C ATOM 0 H THR B 48 -10.303 5.982 -7.823 1.00 16.86 H new ATOM 0 HA THR B 48 -12.377 4.178 -8.976 1.00 16.59 H new ATOM 0 HB THR B 48 -12.775 5.019 -6.214 1.00 16.30 H new ATOM 0 HG1 THR B 48 -10.778 4.975 -5.527 1.00 17.90 H new ATOM 0 HG21 THR B 48 -12.665 2.569 -5.857 1.00 16.02 H new ATOM 0 HG22 THR B 48 -13.679 2.965 -7.265 1.00 16.02 H new ATOM 0 HG23 THR B 48 -12.023 2.358 -7.504 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.345 5.762 -8.859 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.410 6.794 -8.991 1.00 18.82 C ATOM 2154 C LEU B 49 -16.552 6.453 -8.031 1.00 20.06 C ATOM 2155 O LEU B 49 -16.828 5.301 -7.767 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.924 6.811 -10.440 1.00 18.79 C ATOM 2157 CG LEU B 49 -15.942 8.244 -10.970 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.074 9.025 -10.297 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.602 8.924 -10.672 1.00 14.50 C ATOM 0 H LEU B 49 -14.609 4.826 -9.166 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.013 7.779 -8.745 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.286 6.190 -11.068 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.926 6.385 -10.484 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.104 8.226 -12.048 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.086 10.047 -10.676 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.028 8.545 -10.517 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.915 9.039 -9.219 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.620 9.945 -11.052 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.434 8.940 -9.595 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.798 8.371 -11.157 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.212 7.443 -7.496 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.327 7.164 -6.547 1.00 27.04 C ATOM 2173 C ASP B 50 -19.598 6.837 -7.333 1.00 27.73 C ATOM 2174 O ASP B 50 -19.862 7.411 -8.370 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.572 8.392 -5.668 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.163 8.080 -4.227 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.756 7.187 -3.644 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -17.264 8.739 -3.731 1.00 30.76 O ATOM 0 H ASP B 50 -17.028 8.430 -7.674 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.061 6.315 -5.917 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.000 9.241 -6.044 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.624 8.675 -5.705 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.387 5.916 -6.849 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.638 5.552 -7.572 1.00 34.22 C ATOM 2185 C GLU B 51 -22.480 6.810 -7.797 1.00 34.98 C ATOM 2186 O GLU B 51 -22.924 7.447 -6.862 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.437 4.547 -6.738 1.00 38.24 C ATOM 2188 CG GLU B 51 -22.724 3.296 -7.573 1.00 46.84 C ATOM 2189 CD GLU B 51 -23.734 2.412 -6.839 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -24.586 2.960 -6.158 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -23.639 1.203 -6.970 1.00 53.83 O ATOM 0 H GLU B 51 -20.219 5.401 -5.985 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.385 5.106 -8.534 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.878 4.278 -5.842 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.373 4.997 -6.407 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.116 3.580 -8.550 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -21.801 2.743 -7.748 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.704 7.172 -9.031 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.518 8.388 -9.314 1.00 34.93 C ATOM 2200 C GLY B 52 -22.609 9.618 -9.346 1.00 36.10 C ATOM 2201 O GLY B 52 -23.034 10.707 -9.678 1.00 35.97 O ATOM 0 H GLY B 52 -22.359 6.679 -9.854 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.033 8.279 -10.268 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.285 8.510 -8.550 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.360 9.456 -9.001 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.428 10.618 -9.012 1.00 35.40 C ATOM 2207 C GLN B 53 -19.884 10.824 -10.429 1.00 31.02 C ATOM 2208 O GLN B 53 -19.734 9.879 -11.177 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.266 10.349 -8.054 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.360 11.297 -6.856 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.972 11.853 -6.533 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.081 11.810 -7.358 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.750 12.376 -5.358 1.00 54.76 N ATOM 0 H GLN B 53 -20.946 8.570 -8.712 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.961 11.514 -8.694 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.293 9.314 -7.715 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.316 10.491 -8.569 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -20.047 12.113 -7.078 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.762 10.768 -5.991 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.499 12.412 -4.666 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.828 12.749 -5.132 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.606 12.061 -10.753 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.076 12.438 -12.075 1.00 23.44 C ATOM 2224 C PRO B 54 -17.585 12.100 -12.179 1.00 20.14 C ATOM 2225 O PRO B 54 -16.770 12.597 -11.427 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.302 13.948 -12.139 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.419 14.430 -10.678 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.794 13.199 -9.833 1.00 28.37 C ATOM 0 HA PRO B 54 -19.560 11.906 -12.894 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.475 14.444 -12.647 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.207 14.182 -12.700 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.478 14.861 -10.337 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.178 15.207 -10.587 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.157 13.110 -8.953 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.822 13.258 -9.477 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.225 11.254 -13.106 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.794 10.875 -13.265 1.00 15.58 C ATOM 2238 C ALA B 55 -14.899 12.107 -13.126 1.00 16.41 C ATOM 2239 O ALA B 55 -15.268 13.205 -13.493 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.593 10.253 -14.644 1.00 13.98 C ATOM 0 H ALA B 55 -17.865 10.807 -13.763 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.526 10.158 -12.489 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.547 9.973 -14.768 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.220 9.366 -14.738 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.869 10.975 -15.413 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.717 11.923 -12.605 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.777 13.067 -12.443 1.00 14.61 C ATOM 2248 C TYR B 56 -12.798 13.916 -13.717 1.00 15.51 C ATOM 2249 O TYR B 56 -12.380 13.484 -14.771 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.366 12.521 -12.186 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.353 11.810 -10.846 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.796 10.485 -10.755 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.926 12.487 -9.699 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.807 9.836 -9.517 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.940 11.838 -8.460 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.380 10.512 -8.369 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.394 9.873 -7.146 1.00 12.03 O ATOM 0 H TYR B 56 -13.360 11.023 -12.283 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.077 13.688 -11.599 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.077 11.833 -12.981 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.640 13.334 -12.189 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.129 9.965 -11.641 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.586 13.510 -9.770 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.145 8.813 -9.447 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.611 12.360 -7.573 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.845 9.008 -7.234 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.300 15.118 -13.628 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.366 15.996 -14.833 1.00 14.95 C ATOM 2269 C ALA B 57 -11.949 16.327 -15.315 1.00 15.46 C ATOM 2270 O ALA B 57 -10.979 15.945 -14.692 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.097 17.291 -14.474 1.00 14.98 C ATOM 0 H ALA B 57 -13.668 15.531 -12.771 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.902 15.478 -15.628 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.148 17.936 -15.352 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.107 17.057 -14.137 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.558 17.804 -13.677 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.877 17.035 -16.416 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.594 17.445 -17.014 1.00 16.55 C ATOM 2279 C PRO B 58 -10.005 18.624 -16.238 1.00 16.75 C ATOM 2280 O PRO B 58 -10.540 19.715 -16.246 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.974 17.859 -18.438 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.482 18.201 -18.403 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.066 17.495 -17.165 1.00 13.96 C ATOM 0 HA PRO B 58 -9.839 16.659 -16.996 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.388 18.719 -18.762 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.774 17.053 -19.144 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.633 19.279 -18.342 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.977 17.861 -19.312 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.674 18.175 -16.568 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.706 16.660 -17.448 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.909 18.413 -15.564 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.293 19.520 -14.784 1.00 15.08 C ATOM 2293 C GLY B 59 -7.106 18.983 -13.984 1.00 14.96 C ATOM 2294 O GLY B 59 -6.880 17.794 -13.926 1.00 13.79 O ATOM 0 H GLY B 59 -8.414 17.522 -15.520 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.963 20.313 -15.456 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.030 19.959 -14.111 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.352 19.846 -13.360 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.193 19.372 -12.553 1.00 14.53 C ATOM 2300 C LEU B 60 -5.727 18.672 -11.306 1.00 14.15 C ATOM 2301 O LEU B 60 -6.746 19.052 -10.768 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.339 20.569 -12.129 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.162 20.730 -13.089 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.624 21.476 -14.342 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.051 21.527 -12.399 1.00 15.01 C ATOM 0 H LEU B 60 -6.488 20.857 -13.374 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.584 18.687 -13.143 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.944 21.476 -12.125 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.974 20.425 -11.112 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.784 19.748 -13.372 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -2.784 21.591 -15.027 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.417 20.910 -14.831 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -4.001 22.460 -14.062 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.209 21.644 -13.082 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.429 22.510 -12.118 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -1.723 20.995 -11.506 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.059 17.657 -10.834 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.560 16.961 -9.622 1.00 9.57 C ATOM 2319 C TYR B 61 -4.457 16.791 -8.603 1.00 11.76 C ATOM 2320 O TYR B 61 -3.285 16.893 -8.891 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.117 15.587 -9.988 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.532 15.771 -10.458 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.773 16.224 -11.755 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.599 15.525 -9.587 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.083 16.430 -12.188 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.910 15.736 -10.017 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.150 16.188 -11.317 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.446 16.396 -11.751 1.00 14.61 O ATOM 0 H TYR B 61 -4.197 17.284 -11.232 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.352 17.574 -9.192 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.513 15.126 -10.769 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.085 14.921 -9.126 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.946 16.415 -12.423 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.409 15.173 -8.584 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.273 16.776 -13.193 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.736 15.550 -9.347 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.446 16.553 -12.718 1.00 14.61 H new ATOM 2338 N THR B 62 -4.850 16.508 -7.409 1.00 12.22 N ATOM 2339 CA THR B 62 -3.882 16.285 -6.327 1.00 14.26 C ATOM 2340 C THR B 62 -4.471 15.202 -5.457 1.00 15.40 C ATOM 2341 O THR B 62 -5.537 15.353 -4.894 1.00 16.24 O ATOM 2342 CB THR B 62 -3.685 17.554 -5.517 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.885 17.869 -4.824 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.317 18.696 -6.461 1.00 11.61 C ATOM 0 H THR B 62 -5.828 16.420 -7.132 1.00 12.22 H new ATOM 0 HA THR B 62 -2.907 15.999 -6.723 1.00 14.26 H new ATOM 0 HB THR B 62 -2.884 17.408 -4.792 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.201 17.077 -4.341 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.174 19.611 -5.886 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.395 18.450 -6.987 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.119 18.843 -7.184 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.817 14.101 -5.368 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.383 13.007 -4.561 1.00 15.17 C ATOM 2354 C VAL B 63 -4.780 13.559 -3.199 1.00 14.24 C ATOM 2355 O VAL B 63 -4.380 14.639 -2.812 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.378 11.877 -4.421 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.131 10.599 -4.071 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.640 11.682 -5.753 1.00 18.64 C ATOM 0 H VAL B 63 -2.920 13.907 -5.814 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.266 12.601 -5.054 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.656 12.114 -3.640 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.423 9.777 -3.967 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.667 10.738 -3.132 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.842 10.367 -4.864 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.918 10.871 -5.654 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.359 11.435 -6.534 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.118 12.602 -6.018 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.581 12.840 -2.479 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.026 13.335 -1.150 1.00 10.78 C ATOM 2370 C HIS B 64 -5.767 12.259 -0.096 1.00 14.19 C ATOM 2371 O HIS B 64 -6.188 11.123 -0.239 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.523 13.654 -1.201 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.853 14.699 -0.170 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.202 14.763 1.051 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.774 15.718 -0.156 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.735 15.780 1.746 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.698 16.400 1.057 1.00 20.65 N ATOM 0 H HIS B 64 -5.950 11.929 -2.750 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.472 14.237 -0.891 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.795 14.010 -2.194 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.104 12.750 -1.016 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.453 15.955 -0.962 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.424 16.063 2.741 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.257 17.200 1.355 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.080 12.606 0.962 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.792 11.610 2.025 1.00 14.44 C ATOM 2387 C LEU B 65 -6.056 11.337 2.843 1.00 12.66 C ATOM 2388 O LEU B 65 -6.037 10.568 3.783 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.688 12.139 2.942 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.259 13.183 3.879 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.256 12.629 5.306 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.409 14.450 3.815 1.00 19.03 C ATOM 0 H LEU B 65 -4.707 13.540 1.132 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.461 10.681 1.561 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.255 11.320 3.516 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.884 12.572 2.347 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.280 13.425 3.583 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.666 13.375 5.987 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.866 11.726 5.347 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.234 12.390 5.602 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -3.822 15.200 4.490 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.386 14.218 4.113 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.411 14.838 2.797 1.00 19.03 H new ATOM 2404 N SER B 66 -7.163 11.937 2.489 1.00 13.51 N ATOM 2405 CA SER B 66 -8.408 11.668 3.252 1.00 10.39 C ATOM 2406 C SER B 66 -8.682 10.169 3.170 1.00 8.56 C ATOM 2407 O SER B 66 -9.432 9.611 3.947 1.00 11.70 O ATOM 2408 CB SER B 66 -9.570 12.445 2.631 1.00 12.88 C ATOM 2409 OG SER B 66 -9.757 12.017 1.289 1.00 14.72 O ATOM 0 H SER B 66 -7.255 12.593 1.713 1.00 13.51 H new ATOM 0 HA SER B 66 -8.301 11.981 4.291 1.00 10.39 H new ATOM 0 HB2 SER B 66 -10.481 12.282 3.207 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.363 13.515 2.658 1.00 12.88 H new ATOM 0 HG SER B 66 -10.502 12.512 0.889 1.00 14.72 H new ATOM 2415 N SER B 67 -8.066 9.519 2.220 1.00 7.98 N ATOM 2416 CA SER B 67 -8.261 8.056 2.049 1.00 8.20 C ATOM 2417 C SER B 67 -7.112 7.288 2.714 1.00 11.02 C ATOM 2418 O SER B 67 -7.201 6.098 2.940 1.00 11.45 O ATOM 2419 CB SER B 67 -8.279 7.725 0.561 1.00 8.01 C ATOM 2420 OG SER B 67 -9.518 8.139 0.002 1.00 11.22 O ATOM 0 H SER B 67 -7.429 9.947 1.548 1.00 7.98 H new ATOM 0 HA SER B 67 -9.204 7.766 2.513 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.453 8.226 0.055 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.140 6.654 0.413 1.00 8.01 H new ATOM 0 HG SER B 67 -9.635 7.723 -0.878 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.026 7.952 3.012 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.868 7.252 3.637 1.00 11.79 C ATOM 2428 C PHE B 68 -5.240 6.818 5.053 1.00 12.69 C ATOM 2429 O PHE B 68 -6.127 7.371 5.671 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.666 8.209 3.691 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.383 8.778 2.316 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.116 8.352 1.194 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.403 9.766 2.170 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.863 8.916 -0.060 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.157 10.332 0.916 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.887 9.908 -0.197 1.00 11.87 C ATOM 0 H PHE B 68 -5.892 8.950 2.849 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.608 6.373 3.046 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.869 9.019 4.392 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.788 7.680 4.061 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.874 7.590 1.301 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.835 10.092 3.029 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.422 8.585 -0.923 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.403 11.097 0.807 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.697 10.347 -1.165 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.568 5.829 5.572 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.882 5.356 6.950 1.00 15.38 C ATOM 2448 C LYS B 69 -3.620 4.798 7.603 1.00 15.02 C ATOM 2449 O LYS B 69 -2.556 4.780 7.016 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.948 4.262 6.889 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.316 4.863 7.218 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.112 5.063 5.927 1.00 21.35 C ATOM 2453 CE LYS B 69 -8.472 3.701 5.333 1.00 30.24 C ATOM 2454 NZ LYS B 69 -9.902 3.704 4.913 1.00 32.70 N ATOM 0 H LYS B 69 -3.815 5.327 5.102 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.255 6.194 7.539 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.966 3.812 5.896 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -5.709 3.467 7.595 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.861 4.205 7.895 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.192 5.816 7.732 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -9.018 5.634 6.131 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -7.526 5.640 5.212 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -7.831 3.484 4.478 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -8.299 2.915 6.068 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -10.147 2.778 4.509 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -10.506 3.892 5.739 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -10.052 4.444 4.198 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.735 4.340 8.816 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.548 3.774 9.520 1.00 13.49 C ATOM 2470 C VAL B 70 -2.838 2.321 9.899 1.00 11.85 C ATOM 2471 O VAL B 70 -3.661 2.044 10.749 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.246 4.579 10.789 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.735 4.797 10.906 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.953 5.939 10.737 1.00 15.63 C ATOM 0 H VAL B 70 -4.602 4.332 9.354 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.684 3.824 8.858 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.608 4.024 11.654 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.519 5.369 11.808 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.231 3.832 10.959 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.378 5.345 10.034 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.730 6.500 11.644 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.603 6.498 9.869 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.030 5.787 10.660 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.173 1.391 9.272 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.416 -0.045 9.593 1.00 11.07 C ATOM 2486 C GLY B 71 -1.624 -0.433 10.842 1.00 12.15 C ATOM 2487 O GLY B 71 -1.003 0.396 11.476 1.00 12.70 O ATOM 0 H GLY B 71 -1.472 1.562 8.551 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.480 -0.216 9.757 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.118 -0.671 8.752 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.639 -1.688 11.203 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.887 -2.120 12.411 1.00 19.42 C ATOM 2493 C GLN B 72 0.533 -2.516 12.014 1.00 16.97 C ATOM 2494 O GLN B 72 1.218 -3.226 12.723 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.596 -3.311 13.060 1.00 22.64 C ATOM 2496 CG GLN B 72 -0.762 -3.823 14.236 1.00 25.29 C ATOM 2497 CD GLN B 72 -0.109 -5.158 13.866 1.00 26.29 C ATOM 2498 OE1 GLN B 72 0.155 -5.974 14.726 1.00 26.22 O ATOM 2499 NE2 GLN B 72 0.167 -5.419 12.616 1.00 25.15 N ATOM 0 H GLN B 72 -2.139 -2.430 10.713 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.844 -1.297 13.125 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.586 -3.014 13.405 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -1.738 -4.106 12.328 1.00 22.64 H new ATOM 0 HG2 GLN B 72 0.004 -3.092 14.496 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.394 -3.948 15.115 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.054 -4.736 11.892 1.00 25.15 H new ATOM 0 HE22 GLN B 72 0.603 -6.306 12.364 1.00 25.15 H new ATOM 2508 N PHE B 73 0.977 -2.056 10.884 1.00 14.56 N ATOM 2509 CA PHE B 73 2.351 -2.392 10.427 1.00 14.60 C ATOM 2510 C PHE B 73 3.316 -1.289 10.868 1.00 15.63 C ATOM 2511 O PHE B 73 4.508 -1.370 10.648 1.00 17.80 O ATOM 2512 CB PHE B 73 2.364 -2.502 8.903 1.00 12.63 C ATOM 2513 CG PHE B 73 3.630 -3.191 8.462 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.011 -4.401 9.054 1.00 16.27 C ATOM 2515 CD2 PHE B 73 4.426 -2.620 7.462 1.00 19.79 C ATOM 2516 CE1 PHE B 73 5.188 -5.041 8.645 1.00 20.44 C ATOM 2517 CE2 PHE B 73 5.602 -3.260 7.052 1.00 18.68 C ATOM 2518 CZ PHE B 73 5.983 -4.470 7.644 1.00 17.88 C ATOM 0 H PHE B 73 0.445 -1.458 10.252 1.00 14.56 H new ATOM 0 HA PHE B 73 2.661 -3.342 10.863 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.494 -3.062 8.560 1.00 12.63 H new ATOM 0 HB3 PHE B 73 2.302 -1.510 8.455 1.00 12.63 H new ATOM 0 HD1 PHE B 73 3.397 -4.841 9.826 1.00 16.27 H new ATOM 0 HD2 PHE B 73 4.133 -1.686 7.007 1.00 19.79 H new ATOM 0 HE1 PHE B 73 5.482 -5.974 9.102 1.00 20.44 H new ATOM 0 HE2 PHE B 73 6.215 -2.820 6.279 1.00 18.68 H new ATOM 0 HZ PHE B 73 6.891 -4.963 7.328 1.00 17.88 H new ATOM 2528 N GLY B 74 2.810 -0.258 11.489 1.00 13.82 N ATOM 2529 CA GLY B 74 3.698 0.847 11.943 1.00 13.44 C ATOM 2530 C GLY B 74 3.998 1.778 10.767 1.00 10.42 C ATOM 2531 O GLY B 74 5.027 2.421 10.721 1.00 13.62 O ATOM 0 H GLY B 74 1.820 -0.134 11.701 1.00 13.82 H new ATOM 0 HA2 GLY B 74 3.220 1.404 12.749 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.626 0.440 12.344 1.00 13.44 H new ATOM 2535 N SER B 75 3.108 1.859 9.815 1.00 12.64 N ATOM 2536 CA SER B 75 3.353 2.754 8.648 1.00 12.47 C ATOM 2537 C SER B 75 2.018 3.182 8.034 1.00 12.47 C ATOM 2538 O SER B 75 1.024 2.490 8.137 1.00 11.32 O ATOM 2539 CB SER B 75 4.182 2.009 7.602 1.00 11.21 C ATOM 2540 OG SER B 75 3.790 2.434 6.303 1.00 18.27 O ATOM 0 H SER B 75 2.226 1.347 9.795 1.00 12.64 H new ATOM 0 HA SER B 75 3.895 3.640 8.980 1.00 12.47 H new ATOM 0 HB2 SER B 75 5.243 2.204 7.756 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.037 0.934 7.705 1.00 11.21 H new ATOM 0 HG SER B 75 4.321 1.959 5.630 1.00 18.27 H new ATOM 2546 N LEU B 76 1.991 4.319 7.393 1.00 12.43 N ATOM 2547 CA LEU B 76 0.726 4.800 6.768 1.00 12.18 C ATOM 2548 C LEU B 76 0.278 3.811 5.691 1.00 12.07 C ATOM 2549 O LEU B 76 0.951 2.840 5.405 1.00 9.82 O ATOM 2550 CB LEU B 76 0.967 6.169 6.128 1.00 11.99 C ATOM 2551 CG LEU B 76 0.003 7.193 6.728 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.260 7.317 8.231 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.223 8.552 6.058 1.00 7.80 C ATOM 0 H LEU B 76 2.794 4.937 7.275 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.048 4.881 7.531 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.997 6.483 6.295 1.00 11.99 H new ATOM 0 HB3 LEU B 76 0.823 6.108 5.049 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.024 6.867 6.562 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.427 8.047 8.659 1.00 9.28 H new ATOM 0 HD12 LEU B 76 0.104 6.349 8.708 1.00 9.28 H new ATOM 0 HD13 LEU B 76 1.286 7.643 8.399 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.464 9.283 6.485 1.00 7.80 H new ATOM 0 HD22 LEU B 76 1.250 8.878 6.225 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.040 8.464 4.987 1.00 7.80 H new ATOM 2565 N MET B 77 -0.853 4.054 5.088 1.00 14.08 N ATOM 2566 CA MET B 77 -1.345 3.131 4.025 1.00 14.12 C ATOM 2567 C MET B 77 -2.508 3.783 3.274 1.00 11.37 C ATOM 2568 O MET B 77 -3.633 3.787 3.732 1.00 11.44 O ATOM 2569 CB MET B 77 -1.811 1.812 4.646 1.00 16.48 C ATOM 2570 CG MET B 77 -2.280 2.063 6.074 1.00 24.75 C ATOM 2571 SD MET B 77 -3.192 0.620 6.677 1.00 35.11 S ATOM 2572 CE MET B 77 -4.546 0.688 5.479 1.00 33.86 C ATOM 0 H MET B 77 -1.458 4.851 5.285 1.00 14.08 H new ATOM 0 HA MET B 77 -0.531 2.928 3.329 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.621 1.385 4.055 1.00 16.48 H new ATOM 0 HB3 MET B 77 -0.997 1.087 4.641 1.00 16.48 H new ATOM 0 HG2 MET B 77 -1.424 2.260 6.719 1.00 24.75 H new ATOM 0 HG3 MET B 77 -2.916 2.948 6.108 1.00 24.75 H new ATOM 0 HE1 MET B 77 -5.478 0.402 5.967 1.00 33.86 H new ATOM 0 HE2 MET B 77 -4.637 1.702 5.090 1.00 33.86 H new ATOM 0 HE3 MET B 77 -4.340 0.001 4.658 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.232 4.334 2.123 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.297 4.998 1.308 1.00 11.62 C ATOM 2584 C ILE B 78 -4.620 4.229 1.431 1.00 11.45 C ATOM 2585 O ILE B 78 -5.599 4.729 1.946 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.835 5.043 -0.160 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.030 6.324 -0.395 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.034 5.023 -1.108 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.857 6.025 -1.331 1.00 13.67 C ATOM 0 H ILE B 78 -1.302 4.354 1.705 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.463 6.012 1.672 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.218 4.166 -0.358 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.669 7.093 -0.829 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.662 6.714 0.554 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.683 5.056 -2.139 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.609 4.110 -0.949 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.667 5.889 -0.913 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.284 6.937 -1.499 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.214 5.270 -0.879 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.237 5.655 -2.283 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.636 3.023 0.949 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.866 2.171 1.001 1.00 14.79 C ATOM 2603 C ASP B 79 -6.776 2.489 -0.189 1.00 15.20 C ATOM 2604 O ASP B 79 -7.283 1.607 -0.852 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.613 2.427 2.307 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.597 1.284 2.567 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -8.385 0.994 1.682 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -7.545 0.719 3.647 1.00 21.87 O ATOM 0 H ASP B 79 -3.832 2.575 0.509 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.575 1.122 0.952 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -5.906 2.507 3.133 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.148 3.375 2.252 1.00 12.21 H new ATOM 2613 N ARG B 80 -6.975 3.742 -0.464 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.840 4.142 -1.616 1.00 17.14 C ATOM 2615 C ARG B 80 -7.761 5.655 -1.777 1.00 14.98 C ATOM 2616 O ARG B 80 -8.709 6.379 -1.552 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.288 3.717 -1.365 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.142 4.097 -2.575 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.300 2.883 -3.495 1.00 28.43 C ATOM 2620 NE ARG B 80 -9.369 3.013 -4.652 1.00 33.10 N ATOM 2621 CZ ARG B 80 -9.118 1.981 -5.412 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -9.687 0.831 -5.167 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -8.298 2.099 -6.420 1.00 35.04 N ATOM 0 H ARG B 80 -6.574 4.519 0.062 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.493 3.651 -2.525 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.339 2.642 -1.192 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.671 4.203 -0.468 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.121 4.447 -2.246 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.676 4.919 -3.118 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.088 1.966 -2.945 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.329 2.812 -3.848 1.00 28.43 H new ATOM 0 HE ARG B 80 -8.927 3.910 -4.851 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -10.329 0.737 -4.380 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -9.489 0.027 -5.762 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -7.854 2.997 -6.614 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -8.101 1.294 -7.014 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.612 6.116 -2.154 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.369 7.569 -2.328 1.00 11.27 C ATOM 2639 C LEU B 81 -7.557 8.274 -2.993 1.00 15.61 C ATOM 2640 O LEU B 81 -8.003 7.904 -4.060 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.112 7.745 -3.173 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.450 7.578 -4.651 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.166 7.699 -5.475 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.069 6.192 -4.873 1.00 18.72 C ATOM 0 H LEU B 81 -5.803 5.528 -2.356 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.240 8.025 -1.346 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.682 8.731 -2.999 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.360 7.013 -2.878 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.158 8.348 -4.959 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.400 7.581 -6.533 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.719 8.679 -5.310 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.463 6.924 -5.170 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.313 6.067 -5.928 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.358 5.423 -4.571 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -6.977 6.100 -4.277 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.047 9.317 -2.375 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.176 10.083 -2.973 1.00 12.72 C ATOM 2658 C ARG B 82 -8.579 11.243 -3.771 1.00 13.33 C ATOM 2659 O ARG B 82 -8.008 12.159 -3.217 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.082 10.627 -1.864 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.211 11.454 -2.485 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.365 11.577 -1.487 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.692 13.017 -1.278 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.816 13.359 -0.706 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.659 12.441 -0.313 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.097 14.621 -0.525 1.00 16.89 N ATOM 0 H ARG B 82 -7.711 9.671 -1.479 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.773 9.440 -3.620 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -10.497 9.804 -1.283 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.503 11.242 -1.176 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -10.844 12.444 -2.756 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.560 10.981 -3.403 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -13.240 11.045 -1.860 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -12.091 11.114 -0.539 1.00 16.62 H new ATOM 0 HE ARG B 82 -12.037 13.737 -1.582 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -14.440 11.455 -0.452 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.536 12.711 0.133 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -13.440 15.339 -0.830 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.974 14.889 -0.079 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.673 11.196 -5.068 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.072 12.281 -5.893 1.00 13.86 C ATOM 2682 C LEU B 83 -8.982 13.510 -5.937 1.00 13.02 C ATOM 2683 O LEU B 83 -10.189 13.419 -5.844 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.825 11.768 -7.314 1.00 9.93 C ATOM 2685 CG LEU B 83 -7.099 12.833 -8.119 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -5.598 12.755 -7.833 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -7.352 12.597 -9.610 1.00 10.58 C ATOM 0 H LEU B 83 -9.138 10.456 -5.593 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.126 12.575 -5.437 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -7.233 10.853 -7.284 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.772 11.519 -7.792 1.00 9.93 H new ATOM 0 HG LEU B 83 -7.467 13.820 -7.839 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.077 13.519 -8.410 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -5.421 12.920 -6.770 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -5.225 11.770 -8.114 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -6.833 13.359 -10.192 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.981 11.611 -9.890 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -8.422 12.653 -9.811 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.387 14.664 -6.077 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.160 15.927 -6.135 1.00 12.86 C ATOM 2701 C VAL B 84 -8.424 16.897 -7.067 1.00 14.98 C ATOM 2702 O VAL B 84 -7.238 16.758 -7.273 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.223 16.517 -4.727 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.838 15.495 -3.770 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.808 16.868 -4.258 1.00 17.34 C ATOM 0 H VAL B 84 -7.377 14.781 -6.155 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.170 15.752 -6.506 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.837 17.417 -4.738 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.882 15.917 -2.766 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.845 15.245 -4.103 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.225 14.593 -3.758 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.852 17.289 -3.254 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.194 15.967 -4.248 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.370 17.598 -4.939 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.134 17.858 -7.594 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.541 18.866 -8.491 1.00 22.41 C ATOM 2717 C PRO B 85 -7.478 19.686 -7.744 1.00 25.70 C ATOM 2718 O PRO B 85 -7.620 19.986 -6.576 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.737 19.707 -8.940 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.839 19.455 -7.899 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.567 18.049 -7.337 1.00 20.63 C ATOM 0 HA PRO B 85 -8.016 18.440 -9.346 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.477 20.764 -8.986 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.067 19.417 -9.937 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.810 20.205 -7.109 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.828 19.510 -8.354 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.797 17.989 -6.273 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.171 17.291 -7.837 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.401 20.027 -8.406 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.315 20.801 -7.734 1.00 39.94 C ATOM 2731 C ALA B 86 -5.731 22.267 -7.602 1.00 46.96 C ATOM 2732 O ALA B 86 -5.922 22.959 -8.582 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.036 20.708 -8.572 1.00 39.70 C ATOM 0 H ALA B 86 -6.227 19.802 -9.386 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.136 20.388 -6.741 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.240 21.272 -8.085 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.737 19.664 -8.665 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.220 21.122 -9.563 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.872 22.747 -6.397 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.274 24.169 -6.206 1.00 55.12 C ATOM 2741 C LYS B 87 -5.337 25.075 -7.007 1.00 55.82 C ATOM 2742 O LYS B 87 -5.825 26.024 -7.598 1.00 58.05 O ATOM 2743 CB LYS B 87 -6.185 24.529 -4.721 1.00 52.96 C ATOM 2744 CG LYS B 87 -7.412 25.349 -4.320 1.00 55.49 C ATOM 2745 CD LYS B 87 -8.423 24.445 -3.613 1.00 56.64 C ATOM 2746 CE LYS B 87 -8.934 25.143 -2.351 1.00 58.91 C ATOM 2747 NZ LYS B 87 -9.106 24.139 -1.262 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.148 24.804 -7.016 1.00 57.66 O ATOM 0 H LYS B 87 -5.726 22.217 -5.538 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.298 24.307 -6.553 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -6.128 23.622 -4.119 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -5.275 25.098 -4.528 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -7.117 26.166 -3.662 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -7.866 25.799 -5.203 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -9.255 24.221 -4.280 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -7.958 23.494 -3.353 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -8.231 25.916 -2.040 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -9.883 25.639 -2.556 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -9.453 24.613 -0.404 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.793 23.417 -1.561 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -8.192 23.685 -1.061 1.00 58.16 H new