USER MOD reduce.3.24.130724 H: found=0, std=0, add=1626, rem=0, adj=64 USER MOD reduce.3.24.130724 removed 1626 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: A 80 SER OG : rot 25:sc= 0.552 USER MOD Set 1.2: B 80 SER OG : rot 19:sc= 0.537 USER MOD Set 2.1: B 31 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0) USER MOD Set 2.2: B 56 GLN : amide:sc= -0.966! K(o=-5.7!,f=-6.5) USER MOD Set 2.3: B 59 MET CE :methyl 163:sc= -3.68! (180deg=-1.93) USER MOD Set 2.4: B 68 ASN : amide:sc= -2.18! K(o=-5.7!,f=-4) USER MOD Set 3.1: B 44 SER OG : rot 180:sc= 0.0367 USER MOD Set 3.2: B 48 LYS NZ :NH3+ 150:sc= 0.035 (180deg=0) USER MOD Set 4.1: B 14 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 17 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-2!) USER MOD Set 5.1: A 18 LYS NZ :NH3+ -147:sc= 1.23 (180deg=0.808) USER MOD Set 5.2: A 19 TYR OH : rot 57:sc= -0.643 USER MOD Set 5.3: B 1 MET N :NH3+ 155:sc= 1.13 (180deg=0.502) USER MOD Set 6.1: A 101 LYS NZ :NH3+ 144:sc= 1.77 (180deg=1.01) USER MOD Set 6.2: B 73 GLN : amide:sc= -4.64! C(o=-2.9!,f=-9.3!) USER MOD Set 7.1: A 87 ASN : amide:sc= -11.5! C(o=-21!,f=-20!) USER MOD Set 7.2: A 97 GLN : amide:sc= -10.4! C(o=-21!,f=-27!) USER MOD Set 7.3: B 76 SER OG : rot 72:sc= 0.743 USER MOD Set 8.1: A 76 SER OG : rot 72:sc= 0.748 USER MOD Set 8.2: B 87 ASN : amide:sc= -11.9! C(o=-21!,f=-20!) USER MOD Set 8.3: B 97 GLN : amide:sc= -10.3! C(o=-21!,f=-27!) USER MOD Set 9.1: A 73 GLN : amide:sc= -4.42! C(o=-2.7!,f=-9.2!) USER MOD Set 9.2: B 101 LYS NZ :NH3+ 147:sc= 1.74 (180deg=1.07) USER MOD Set10.1: A 31 LYS NZ :NH3+ 172:sc= 1.22 (180deg=0) USER MOD Set10.2: A 56 GLN : amide:sc= -1.03! C(o=-5.8!,f=-6.9!) USER MOD Set10.3: A 59 MET CE :methyl 163:sc= -3.79! (180deg=-1.94) USER MOD Set10.4: A 68 ASN : amide:sc= -2.25! K(o=-5.8!,f=-3.7) USER MOD Set11.1: A 44 SER OG : rot 180:sc= 0.0347 USER MOD Set11.2: A 48 LYS NZ :NH3+ 152:sc= 0.0373 (180deg=0) USER MOD Set12.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set12.2: A 17 HIS : no HD1:sc= -2.71! K(o=-2.7!,f=-2.1) USER MOD Set13.1: A 1 MET N :NH3+ 155:sc= 1.06 (180deg=0.281) USER MOD Set13.2: B 18 LYS NZ :NH3+ -155:sc= 1.32 (180deg=0.752) USER MOD Set13.3: B 19 TYR OH : rot 57:sc= -0.704 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.182 (180deg=-0.714) USER MOD Single : A 3 SER OG : rot 103:sc= 0.142 USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= -0.0457 (180deg=-0.293) USER MOD Single : A 12 MET CE :methyl -129:sc= -0.212 (180deg=-0.888) USER MOD Single : A 15 THR OG1 : rot 61:sc= 0.627 USER MOD Single : A 20 SER OG : rot 172:sc= 1.19 USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= 1.13 (180deg=0.509) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.223) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= -1.46! (180deg=-1.92!) USER MOD Single : A 30 ASN : amide:sc= -3.8! K(o=-3.8!,f=0.025) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -78:sc= 0.252 USER MOD Single : A 50 THR OG1 : rot 32:sc= 0.0781 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.48! K(o=-3.5!,f=-2) USER MOD Single : A 64 SER OG : rot 40:sc= 0.74 USER MOD Single : A 65 ASN : amide:sc= 0.284 K(o=0.28,f=-3.8) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -179:sc= -2.27 (180deg=-2.41) USER MOD Single : A 85 MET CE :methyl 152:sc= -0.234 (180deg=-0.938) USER MOD Single : A 86 SER OG : rot -81:sc= 1.12 USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= 0.619 (180deg=-0.483!) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0882) USER MOD Single : B 1 MET CE :methyl 162:sc= -0.181 (180deg=-0.726) USER MOD Single : B 3 SER OG : rot 180:sc= 0.119 USER MOD Single : B 7 LYS NZ :NH3+ 144:sc= -0.0447 (180deg=-0.317) USER MOD Single : B 12 MET CE :methyl -125:sc= -0.243 (180deg=-0.99) USER MOD Single : B 15 THR OG1 : rot 63:sc= 0.684 USER MOD Single : B 20 SER OG : rot 167:sc= 1.1 USER MOD Single : B 22 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.477) USER MOD Single : B 26 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.209) USER MOD Single : B 28 LYS NZ :NH3+ -174:sc= -1.44! (180deg=-1.51!) USER MOD Single : B 30 ASN : amide:sc= -3.76! K(o=-3.8!,f=0.12) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -80:sc= 0.246 USER MOD Single : B 50 THR OG1 : rot 41:sc= 0.0595 USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -3.61! K(o=-3.6!,f=-1.9) USER MOD Single : B 64 SER OG : rot 40:sc= 0.667 USER MOD Single : B 65 ASN : amide:sc= 0.219 K(o=0.22,f=-4!) USER MOD Single : B 75 TYR OH : rot 180:sc= -0.0622 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 84 MET CE :methyl -179:sc= -2.27! (180deg=-2.31!) USER MOD Single : B 85 MET CE :methyl 151:sc= -0.219 (180deg=-0.925) USER MOD Single : B 86 SER OG : rot -83:sc= 1.08 USER MOD Single : B 96 LYS NZ :NH3+ 169:sc= 0.595! (180deg=0.268!) USER MOD Single : B 100 LYS NZ :NH3+ 172:sc= -0.0024 (180deg=-0.0925) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.812 0.719 13.255 1.00 3.80 N ATOM 2 CA MET A 1 -11.990 1.944 13.267 1.00 3.21 C ATOM 3 C MET A 1 -10.501 1.618 13.155 1.00 2.41 C ATOM 4 O MET A 1 -9.869 1.203 14.128 1.00 2.60 O ATOM 5 CB MET A 1 -12.266 2.777 14.529 1.00 3.84 C ATOM 6 CG MET A 1 -12.111 2.011 15.836 1.00 4.40 C ATOM 7 SD MET A 1 -12.377 3.050 17.288 1.00 5.09 S ATOM 8 CE MET A 1 -14.061 3.598 17.014 1.00 5.69 C ATOM 0 H1 MET A 1 -13.715 0.902 13.738 1.00 3.80 H new ATOM 0 H2 MET A 1 -12.997 0.434 12.272 1.00 3.80 H new ATOM 0 H3 MET A 1 -12.305 -0.044 13.747 1.00 3.80 H new ATOM 0 HA MET A 1 -12.270 2.535 12.395 1.00 3.21 H new ATOM 0 HB2 MET A 1 -11.589 3.631 14.541 1.00 3.84 H new ATOM 0 HB3 MET A 1 -13.280 3.174 14.473 1.00 3.84 H new ATOM 0 HG2 MET A 1 -12.819 1.182 15.853 1.00 4.40 H new ATOM 0 HG3 MET A 1 -11.112 1.578 15.882 1.00 4.40 H new ATOM 0 HE1 MET A 1 -14.490 3.939 17.956 1.00 5.69 H new ATOM 0 HE2 MET A 1 -14.065 4.418 16.296 1.00 5.69 H new ATOM 0 HE3 MET A 1 -14.654 2.771 16.624 1.00 5.69 H new ATOM 20 N ALA A 2 -9.946 1.770 11.955 1.00 1.66 N ATOM 21 CA ALA A 2 -8.501 1.782 11.801 1.00 0.97 C ATOM 22 C ALA A 2 -7.987 3.117 12.296 1.00 0.80 C ATOM 23 O ALA A 2 -7.781 4.058 11.532 1.00 0.90 O ATOM 24 CB ALA A 2 -8.024 1.501 10.382 1.00 0.82 C ATOM 0 H ALA A 2 -10.470 1.885 11.088 1.00 1.66 H new ATOM 0 HA ALA A 2 -8.095 0.963 12.394 1.00 0.97 H new ATOM 0 HB1 ALA A 2 -6.935 1.528 10.352 1.00 0.82 H new ATOM 0 HB2 ALA A 2 -8.371 0.516 10.070 1.00 0.82 H new ATOM 0 HB3 ALA A 2 -8.424 2.258 9.707 1.00 0.82 H new ATOM 30 N SER A 3 -7.963 3.184 13.611 1.00 0.79 N ATOM 31 CA SER A 3 -7.259 4.171 14.422 1.00 0.78 C ATOM 32 C SER A 3 -5.828 4.433 13.868 1.00 0.65 C ATOM 33 O SER A 3 -5.616 4.293 12.670 1.00 0.83 O ATOM 34 CB SER A 3 -7.268 3.620 15.852 1.00 0.97 C ATOM 35 OG SER A 3 -8.515 3.000 16.141 1.00 1.18 O ATOM 0 H SER A 3 -8.467 2.508 14.185 1.00 0.79 H new ATOM 0 HA SER A 3 -7.743 5.147 14.398 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.460 2.899 15.975 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.085 4.428 16.560 1.00 0.97 H new ATOM 0 HG SER A 3 -8.414 2.026 16.096 1.00 1.18 H new ATOM 41 N PRO A 4 -4.850 4.953 14.656 1.00 0.67 N ATOM 42 CA PRO A 4 -3.448 5.079 14.222 1.00 0.62 C ATOM 43 C PRO A 4 -2.917 4.027 13.215 1.00 0.46 C ATOM 44 O PRO A 4 -1.846 4.232 12.676 1.00 0.50 O ATOM 45 CB PRO A 4 -2.706 4.978 15.542 1.00 0.79 C ATOM 46 CG PRO A 4 -3.565 5.754 16.474 1.00 0.96 C ATOM 47 CD PRO A 4 -4.990 5.508 16.030 1.00 0.87 C ATOM 0 HA PRO A 4 -3.315 5.999 13.652 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.596 3.942 15.864 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -1.703 5.399 15.473 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.416 5.430 17.504 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.322 6.816 16.436 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -5.499 4.808 16.693 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -5.573 6.429 16.031 1.00 0.87 H new ATOM 55 N LEU A 5 -3.624 2.910 12.963 1.00 0.36 N ATOM 56 CA LEU A 5 -3.126 1.903 12.027 1.00 0.32 C ATOM 57 C LEU A 5 -3.082 2.453 10.613 1.00 0.30 C ATOM 58 O LEU A 5 -2.112 2.232 9.894 1.00 0.32 O ATOM 59 CB LEU A 5 -3.979 0.636 12.060 1.00 0.31 C ATOM 60 CG LEU A 5 -3.599 -0.451 11.040 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.636 -1.812 11.708 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.544 -0.441 9.842 1.00 0.27 C ATOM 0 H LEU A 5 -4.524 2.690 13.389 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.114 1.645 12.341 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.920 0.206 13.060 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -5.019 0.916 11.894 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.592 -0.243 10.680 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.366 -2.580 10.983 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.928 -1.830 12.536 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.640 -2.005 12.085 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.249 -1.220 9.139 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.563 -0.625 10.181 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.496 0.530 9.348 1.00 0.27 H new ATOM 74 N GLU A 6 -4.125 3.175 10.204 1.00 0.34 N ATOM 75 CA GLU A 6 -4.123 3.752 8.870 1.00 0.42 C ATOM 76 C GLU A 6 -3.022 4.802 8.797 1.00 0.33 C ATOM 77 O GLU A 6 -2.270 4.907 7.820 1.00 0.31 O ATOM 78 CB GLU A 6 -5.484 4.359 8.502 1.00 0.62 C ATOM 79 CG GLU A 6 -5.854 5.632 9.243 1.00 1.80 C ATOM 80 CD GLU A 6 -5.682 6.881 8.390 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.637 7.019 7.727 1.00 3.61 O ATOM 82 OE2 GLU A 6 -6.584 7.742 8.399 1.00 3.32 O ATOM 0 H GLU A 6 -4.957 3.368 10.762 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.933 2.961 8.145 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -5.492 4.567 7.432 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.257 3.613 8.688 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.889 5.565 9.577 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -5.236 5.720 10.137 1.00 1.80 H new ATOM 89 N LYS A 7 -2.903 5.535 9.893 1.00 0.35 N ATOM 90 CA LYS A 7 -1.898 6.563 10.025 1.00 0.36 C ATOM 91 C LYS A 7 -0.523 5.894 10.117 1.00 0.32 C ATOM 92 O LYS A 7 0.504 6.515 9.875 1.00 0.35 O ATOM 93 CB LYS A 7 -2.154 7.433 11.271 1.00 0.44 C ATOM 94 CG LYS A 7 -3.620 7.536 11.712 1.00 0.63 C ATOM 95 CD LYS A 7 -4.487 8.432 10.825 1.00 0.79 C ATOM 96 CE LYS A 7 -5.904 8.495 11.369 1.00 1.78 C ATOM 97 NZ LYS A 7 -5.965 9.161 12.695 1.00 2.82 N ATOM 0 H LYS A 7 -3.502 5.430 10.712 1.00 0.35 H new ATOM 0 HA LYS A 7 -1.938 7.218 9.154 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -1.570 7.032 12.100 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.780 8.438 11.075 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.052 6.536 11.729 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -3.653 7.915 12.733 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -4.061 9.435 10.782 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -4.498 8.046 9.806 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -6.539 9.033 10.664 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -6.305 7.485 11.453 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -6.849 9.703 12.771 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -5.934 8.442 13.446 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -5.155 9.805 12.798 1.00 2.82 H new ATOM 111 N ALA A 8 -0.526 4.614 10.488 1.00 0.29 N ATOM 112 CA ALA A 8 0.696 3.835 10.624 1.00 0.29 C ATOM 113 C ALA A 8 1.199 3.365 9.273 1.00 0.27 C ATOM 114 O ALA A 8 2.393 3.153 9.103 1.00 0.28 O ATOM 115 CB ALA A 8 0.494 2.648 11.545 1.00 0.32 C ATOM 0 H ALA A 8 -1.376 4.092 10.702 1.00 0.29 H new ATOM 0 HA ALA A 8 1.448 4.489 11.066 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.425 2.087 11.625 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.196 3.000 12.533 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.285 2.002 11.140 1.00 0.32 H new ATOM 121 N LEU A 9 0.299 3.176 8.315 1.00 0.26 N ATOM 122 CA LEU A 9 0.744 2.989 6.930 1.00 0.26 C ATOM 123 C LEU A 9 1.447 4.269 6.494 1.00 0.26 C ATOM 124 O LEU A 9 2.440 4.256 5.776 1.00 0.26 O ATOM 125 CB LEU A 9 -0.410 2.694 5.962 1.00 0.26 C ATOM 126 CG LEU A 9 -1.678 2.128 6.587 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.801 2.095 5.566 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.435 0.740 7.156 1.00 0.27 C ATOM 0 H LEU A 9 -0.711 3.148 8.458 1.00 0.26 H new ATOM 0 HA LEU A 9 1.407 2.124 6.899 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.666 3.617 5.441 1.00 0.26 H new ATOM 0 HB3 LEU A 9 -0.055 1.991 5.209 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.971 2.781 7.409 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.701 1.688 6.028 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -3.001 3.106 5.212 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.509 1.467 4.724 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.357 0.360 7.596 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -1.111 0.071 6.358 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.662 0.791 7.923 1.00 0.27 H new ATOM 140 N ASP A 10 0.933 5.389 6.962 1.00 0.27 N ATOM 141 CA ASP A 10 1.613 6.667 6.747 1.00 0.29 C ATOM 142 C ASP A 10 2.959 6.664 7.481 1.00 0.27 C ATOM 143 O ASP A 10 3.957 7.224 7.010 1.00 0.28 O ATOM 144 CB ASP A 10 0.745 7.840 7.215 1.00 0.33 C ATOM 145 CG ASP A 10 1.462 9.173 7.122 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.455 9.787 6.037 1.00 1.16 O ATOM 147 OD2 ASP A 10 2.034 9.619 8.142 1.00 1.18 O ATOM 0 H ASP A 10 0.060 5.449 7.487 1.00 0.27 H new ATOM 0 HA ASP A 10 1.789 6.793 5.679 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.163 7.878 6.613 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.436 7.669 8.246 1.00 0.33 H new ATOM 152 N VAL A 11 2.994 5.991 8.626 1.00 0.27 N ATOM 153 CA VAL A 11 4.221 5.837 9.382 1.00 0.27 C ATOM 154 C VAL A 11 5.176 4.879 8.663 1.00 0.27 C ATOM 155 O VAL A 11 6.377 4.922 8.881 1.00 0.29 O ATOM 156 CB VAL A 11 3.942 5.339 10.818 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.233 5.056 11.558 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.114 6.357 11.586 1.00 0.31 C ATOM 0 H VAL A 11 2.180 5.544 9.048 1.00 0.27 H new ATOM 0 HA VAL A 11 4.691 6.818 9.454 1.00 0.27 H new ATOM 0 HB VAL A 11 3.378 4.409 10.744 1.00 0.28 H new ATOM 0 HG11 VAL A 11 5.006 4.707 12.565 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.796 4.289 11.027 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.827 5.968 11.615 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.928 5.988 12.595 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.656 7.301 11.639 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.164 6.512 11.076 1.00 0.31 H new ATOM 168 N MET A 12 4.642 4.020 7.801 1.00 0.26 N ATOM 169 CA MET A 12 5.476 3.148 6.974 1.00 0.29 C ATOM 170 C MET A 12 6.245 4.000 5.966 1.00 0.29 C ATOM 171 O MET A 12 7.378 3.691 5.607 1.00 0.34 O ATOM 172 CB MET A 12 4.629 2.074 6.263 1.00 0.32 C ATOM 173 CG MET A 12 4.268 2.393 4.817 1.00 0.98 C ATOM 174 SD MET A 12 2.871 1.418 4.218 1.00 2.23 S ATOM 175 CE MET A 12 2.665 2.091 2.571 1.00 2.75 C ATOM 0 H MET A 12 3.639 3.907 7.655 1.00 0.26 H new ATOM 0 HA MET A 12 6.185 2.622 7.613 1.00 0.29 H new ATOM 0 HB2 MET A 12 5.173 1.130 6.286 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.708 1.926 6.828 1.00 0.32 H new ATOM 0 HG2 MET A 12 4.030 3.453 4.731 1.00 0.98 H new ATOM 0 HG3 MET A 12 5.134 2.209 4.181 1.00 0.98 H new ATOM 0 HE1 MET A 12 1.623 2.372 2.421 1.00 2.75 H new ATOM 0 HE2 MET A 12 3.299 2.970 2.455 1.00 2.75 H new ATOM 0 HE3 MET A 12 2.948 1.340 1.833 1.00 2.75 H new ATOM 185 N VAL A 13 5.623 5.091 5.532 1.00 0.29 N ATOM 186 CA VAL A 13 6.311 6.077 4.700 1.00 0.31 C ATOM 187 C VAL A 13 7.493 6.681 5.469 1.00 0.27 C ATOM 188 O VAL A 13 8.595 6.856 4.931 1.00 0.27 O ATOM 189 CB VAL A 13 5.361 7.208 4.246 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.080 8.183 3.328 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.132 6.636 3.556 1.00 0.42 C ATOM 0 H VAL A 13 4.650 5.316 5.740 1.00 0.29 H new ATOM 0 HA VAL A 13 6.672 5.560 3.811 1.00 0.31 H new ATOM 0 HB VAL A 13 5.036 7.750 5.134 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.391 8.970 3.022 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.924 8.625 3.857 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.441 7.654 2.446 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.477 7.450 3.245 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.439 6.063 2.681 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.597 5.984 4.247 1.00 0.42 H new ATOM 201 N SER A 14 7.266 6.982 6.742 1.00 0.26 N ATOM 202 CA SER A 14 8.331 7.485 7.605 1.00 0.26 C ATOM 203 C SER A 14 9.366 6.393 7.868 1.00 0.25 C ATOM 204 O SER A 14 10.569 6.661 7.936 1.00 0.26 O ATOM 205 CB SER A 14 7.747 8.010 8.921 1.00 0.31 C ATOM 206 OG SER A 14 8.749 8.591 9.737 1.00 1.18 O ATOM 0 H SER A 14 6.359 6.888 7.199 1.00 0.26 H new ATOM 0 HA SER A 14 8.830 8.311 7.098 1.00 0.26 H new ATOM 0 HB2 SER A 14 6.975 8.749 8.709 1.00 0.31 H new ATOM 0 HB3 SER A 14 7.266 7.193 9.459 1.00 0.31 H new ATOM 0 HG SER A 14 8.345 8.918 10.568 1.00 1.18 H new ATOM 212 N THR A 15 8.879 5.167 8.005 1.00 0.28 N ATOM 213 CA THR A 15 9.713 3.982 8.094 1.00 0.32 C ATOM 214 C THR A 15 10.742 3.991 6.965 1.00 0.28 C ATOM 215 O THR A 15 11.941 3.738 7.167 1.00 0.29 O ATOM 216 CB THR A 15 8.828 2.726 7.988 1.00 0.45 C ATOM 217 OG1 THR A 15 7.955 2.652 9.124 1.00 0.59 O ATOM 218 CG2 THR A 15 9.656 1.463 7.894 1.00 0.93 C ATOM 0 H THR A 15 7.880 4.968 8.058 1.00 0.28 H new ATOM 0 HA THR A 15 10.236 3.975 9.050 1.00 0.32 H new ATOM 0 HB THR A 15 8.240 2.807 7.074 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.374 3.441 9.142 1.00 0.59 H new ATOM 0 HG21 THR A 15 8.995 0.599 7.821 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.292 1.510 7.010 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.279 1.369 8.784 1.00 0.93 H new ATOM 226 N PHE A 16 10.257 4.338 5.779 1.00 0.27 N ATOM 227 CA PHE A 16 11.087 4.405 4.597 1.00 0.27 C ATOM 228 C PHE A 16 12.236 5.379 4.771 1.00 0.29 C ATOM 229 O PHE A 16 13.390 4.970 4.755 1.00 0.37 O ATOM 230 CB PHE A 16 10.256 4.799 3.381 1.00 0.34 C ATOM 231 CG PHE A 16 11.064 4.901 2.124 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.345 3.775 1.377 1.00 1.65 C ATOM 233 CD2 PHE A 16 11.548 6.120 1.693 1.00 1.73 C ATOM 234 CE1 PHE A 16 12.091 3.864 0.222 1.00 2.27 C ATOM 235 CE2 PHE A 16 12.297 6.215 0.541 1.00 2.34 C ATOM 236 CZ PHE A 16 12.568 5.084 -0.196 1.00 2.36 C ATOM 0 H PHE A 16 9.279 4.579 5.617 1.00 0.27 H new ATOM 0 HA PHE A 16 11.507 3.411 4.440 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.463 4.065 3.237 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.773 5.757 3.574 1.00 0.34 H new ATOM 0 HD1 PHE A 16 10.976 2.813 1.701 1.00 1.65 H new ATOM 0 HD2 PHE A 16 11.337 7.010 2.266 1.00 1.73 H new ATOM 0 HE1 PHE A 16 12.301 2.976 -0.355 1.00 2.27 H new ATOM 0 HE2 PHE A 16 12.671 7.175 0.216 1.00 2.34 H new ATOM 0 HZ PHE A 16 13.154 5.155 -1.100 1.00 2.36 H new ATOM 246 N HIS A 17 11.929 6.661 4.975 1.00 0.30 N ATOM 247 CA HIS A 17 12.983 7.677 5.015 1.00 0.40 C ATOM 248 C HIS A 17 13.934 7.448 6.186 1.00 0.36 C ATOM 249 O HIS A 17 15.046 7.975 6.210 1.00 0.42 O ATOM 250 CB HIS A 17 12.410 9.106 5.026 1.00 0.59 C ATOM 251 CG HIS A 17 11.667 9.522 6.268 1.00 0.81 C ATOM 252 ND1 HIS A 17 10.382 10.023 6.236 1.00 1.53 N ATOM 253 CD2 HIS A 17 12.052 9.580 7.567 1.00 1.78 C ATOM 254 CE1 HIS A 17 10.015 10.371 7.455 1.00 2.03 C ATOM 255 NE2 HIS A 17 11.008 10.111 8.281 1.00 2.20 N ATOM 0 H HIS A 17 10.982 7.015 5.112 1.00 0.30 H new ATOM 0 HA HIS A 17 13.559 7.573 4.096 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.232 9.805 4.870 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.737 9.210 4.175 1.00 0.59 H new ATOM 0 HD2 HIS A 17 13.005 9.266 7.966 1.00 1.78 H new ATOM 0 HE1 HIS A 17 9.061 10.797 7.729 1.00 2.03 H new ATOM 0 HE2 HIS A 17 11.002 10.277 9.287 1.00 2.20 H new ATOM 264 N LYS A 18 13.489 6.654 7.148 1.00 0.34 N ATOM 265 CA LYS A 18 14.332 6.251 8.258 1.00 0.39 C ATOM 266 C LYS A 18 15.499 5.406 7.759 1.00 0.37 C ATOM 267 O LYS A 18 16.646 5.625 8.147 1.00 0.47 O ATOM 268 CB LYS A 18 13.509 5.464 9.275 1.00 0.43 C ATOM 269 CG LYS A 18 14.333 4.831 10.387 1.00 0.55 C ATOM 270 CD LYS A 18 13.443 4.188 11.438 1.00 0.73 C ATOM 271 CE LYS A 18 12.497 3.176 10.818 1.00 0.80 C ATOM 272 NZ LYS A 18 11.708 2.446 11.839 1.00 1.28 N ATOM 0 H LYS A 18 12.543 6.275 7.180 1.00 0.34 H new ATOM 0 HA LYS A 18 14.732 7.144 8.739 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.769 6.129 9.720 1.00 0.43 H new ATOM 0 HB3 LYS A 18 12.960 4.680 8.753 1.00 0.43 H new ATOM 0 HG2 LYS A 18 15.001 4.080 9.965 1.00 0.55 H new ATOM 0 HG3 LYS A 18 14.961 5.590 10.854 1.00 0.55 H new ATOM 0 HD2 LYS A 18 14.061 3.697 12.190 1.00 0.73 H new ATOM 0 HD3 LYS A 18 12.868 4.959 11.951 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.819 3.687 10.134 1.00 0.80 H new ATOM 0 HE3 LYS A 18 13.069 2.462 10.225 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 11.530 1.475 11.511 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.239 2.418 12.733 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 10.801 2.932 11.990 1.00 1.28 H new ATOM 286 N TYR A 19 15.203 4.452 6.887 1.00 0.29 N ATOM 287 CA TYR A 19 16.237 3.565 6.367 1.00 0.29 C ATOM 288 C TYR A 19 16.826 4.050 5.053 1.00 0.33 C ATOM 289 O TYR A 19 17.934 3.672 4.723 1.00 0.44 O ATOM 290 CB TYR A 19 15.716 2.138 6.244 1.00 0.31 C ATOM 291 CG TYR A 19 15.823 1.383 7.546 1.00 0.36 C ATOM 292 CD1 TYR A 19 15.026 1.721 8.628 1.00 1.23 C ATOM 293 CD2 TYR A 19 16.745 0.358 7.706 1.00 1.28 C ATOM 294 CE1 TYR A 19 15.147 1.065 9.833 1.00 1.26 C ATOM 295 CE2 TYR A 19 16.863 -0.310 8.909 1.00 1.35 C ATOM 296 CZ TYR A 19 16.062 0.052 9.970 1.00 0.62 C ATOM 297 OH TYR A 19 16.187 -0.588 11.182 1.00 0.79 O ATOM 0 H TYR A 19 14.266 4.272 6.527 1.00 0.29 H new ATOM 0 HA TYR A 19 17.052 3.576 7.091 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.675 2.159 5.921 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.278 1.612 5.473 1.00 0.31 H new ATOM 0 HD1 TYR A 19 14.298 2.512 8.525 1.00 1.23 H new ATOM 0 HD2 TYR A 19 17.379 0.079 6.878 1.00 1.28 H new ATOM 0 HE1 TYR A 19 14.523 1.347 10.668 1.00 1.26 H new ATOM 0 HE2 TYR A 19 17.579 -1.111 9.017 1.00 1.35 H new ATOM 0 HH TYR A 19 15.321 -0.966 11.443 1.00 0.79 H new ATOM 307 N SER A 20 16.093 4.874 4.316 1.00 0.29 N ATOM 308 CA SER A 20 16.606 5.468 3.081 1.00 0.32 C ATOM 309 C SER A 20 17.499 6.662 3.377 1.00 0.40 C ATOM 310 O SER A 20 18.223 7.142 2.512 1.00 0.60 O ATOM 311 CB SER A 20 15.448 5.925 2.205 1.00 0.35 C ATOM 312 OG SER A 20 14.494 4.897 2.081 1.00 0.86 O ATOM 0 H SER A 20 15.139 5.149 4.550 1.00 0.29 H new ATOM 0 HA SER A 20 17.191 4.708 2.563 1.00 0.32 H new ATOM 0 HB2 SER A 20 14.984 6.811 2.638 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.818 6.208 1.220 1.00 0.35 H new ATOM 0 HG SER A 20 13.698 5.243 1.626 1.00 0.86 H new ATOM 318 N GLY A 21 17.421 7.159 4.598 1.00 0.37 N ATOM 319 CA GLY A 21 18.230 8.292 4.975 1.00 0.43 C ATOM 320 C GLY A 21 19.488 7.879 5.687 1.00 0.41 C ATOM 321 O GLY A 21 19.975 8.596 6.566 1.00 0.46 O ATOM 0 H GLY A 21 16.813 6.798 5.333 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.490 8.864 4.084 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.650 8.952 5.619 1.00 0.43 H new ATOM 325 N LYS A 22 20.018 6.725 5.323 1.00 0.40 N ATOM 326 CA LYS A 22 21.212 6.224 5.964 1.00 0.46 C ATOM 327 C LYS A 22 22.407 6.264 5.018 1.00 0.52 C ATOM 328 O LYS A 22 23.504 6.673 5.408 1.00 0.65 O ATOM 329 CB LYS A 22 20.993 4.802 6.457 1.00 0.47 C ATOM 330 CG LYS A 22 19.723 4.617 7.267 1.00 0.60 C ATOM 331 CD LYS A 22 19.732 3.287 7.997 1.00 0.56 C ATOM 332 CE LYS A 22 19.972 2.122 7.051 1.00 0.49 C ATOM 333 NZ LYS A 22 20.446 0.927 7.787 1.00 1.08 N ATOM 0 H LYS A 22 19.641 6.123 4.591 1.00 0.40 H new ATOM 0 HA LYS A 22 21.427 6.870 6.815 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.965 4.131 5.598 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.847 4.504 7.066 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.625 5.430 7.986 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.856 4.668 6.608 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.508 3.299 8.763 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.780 3.148 8.510 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.050 1.884 6.521 1.00 0.49 H new ATOM 0 HE3 LYS A 22 20.708 2.406 6.299 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.087 0.377 7.180 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 20.953 1.226 8.645 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 19.632 0.338 8.054 1.00 1.08 H new ATOM 347 N GLU A 23 22.195 5.846 3.780 1.00 0.47 N ATOM 348 CA GLU A 23 23.273 5.752 2.807 1.00 0.55 C ATOM 349 C GLU A 23 22.871 6.400 1.483 1.00 0.58 C ATOM 350 O GLU A 23 21.827 6.085 0.917 1.00 0.64 O ATOM 351 CB GLU A 23 23.619 4.277 2.572 1.00 0.67 C ATOM 352 CG GLU A 23 25.110 3.987 2.505 1.00 1.15 C ATOM 353 CD GLU A 23 25.824 4.780 1.432 1.00 1.59 C ATOM 354 OE1 GLU A 23 25.870 4.319 0.272 1.00 2.38 O ATOM 355 OE2 GLU A 23 26.349 5.869 1.748 1.00 1.96 O ATOM 0 H GLU A 23 21.282 5.565 3.424 1.00 0.47 H new ATOM 0 HA GLU A 23 24.142 6.281 3.199 1.00 0.55 H new ATOM 0 HB2 GLU A 23 23.180 3.681 3.372 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.155 3.951 1.641 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.561 4.209 3.472 1.00 1.15 H new ATOM 0 HG3 GLU A 23 25.259 2.923 2.321 1.00 1.15 H new ATOM 362 N GLY A 24 23.719 7.289 0.987 1.00 0.72 N ATOM 363 CA GLY A 24 23.484 7.905 -0.303 1.00 0.85 C ATOM 364 C GLY A 24 22.420 8.983 -0.263 1.00 0.79 C ATOM 365 O GLY A 24 22.696 10.126 0.113 1.00 0.92 O ATOM 0 H GLY A 24 24.570 7.596 1.458 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.416 8.336 -0.668 1.00 0.85 H new ATOM 0 HA3 GLY A 24 23.187 7.137 -1.017 1.00 0.85 H new ATOM 369 N ASP A 25 21.206 8.618 -0.649 1.00 0.71 N ATOM 370 CA ASP A 25 20.104 9.571 -0.732 1.00 0.70 C ATOM 371 C ASP A 25 19.324 9.599 0.567 1.00 0.73 C ATOM 372 O ASP A 25 19.828 9.234 1.628 1.00 1.34 O ATOM 373 CB ASP A 25 19.146 9.212 -1.882 1.00 0.73 C ATOM 374 CG ASP A 25 19.761 9.410 -3.251 1.00 1.04 C ATOM 375 OD1 ASP A 25 20.575 8.569 -3.678 1.00 1.65 O ATOM 376 OD2 ASP A 25 19.421 10.411 -3.917 1.00 1.75 O ATOM 0 H ASP A 25 20.957 7.664 -0.911 1.00 0.71 H new ATOM 0 HA ASP A 25 20.536 10.554 -0.921 1.00 0.70 H new ATOM 0 HB2 ASP A 25 18.835 8.173 -1.777 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.247 9.823 -1.802 1.00 0.73 H new ATOM 381 N LYS A 26 18.104 10.092 0.470 1.00 0.61 N ATOM 382 CA LYS A 26 17.164 10.077 1.563 1.00 0.56 C ATOM 383 C LYS A 26 15.816 9.564 1.054 1.00 0.49 C ATOM 384 O LYS A 26 14.866 9.354 1.812 1.00 0.55 O ATOM 385 CB LYS A 26 17.027 11.499 2.112 1.00 0.71 C ATOM 386 CG LYS A 26 15.884 11.669 3.083 1.00 1.03 C ATOM 387 CD LYS A 26 16.243 11.193 4.481 1.00 0.70 C ATOM 388 CE LYS A 26 17.258 12.112 5.141 1.00 0.94 C ATOM 389 NZ LYS A 26 17.597 11.675 6.520 1.00 1.56 N ATOM 0 H LYS A 26 17.738 10.518 -0.382 1.00 0.61 H new ATOM 0 HA LYS A 26 17.511 9.419 2.360 1.00 0.56 H new ATOM 0 HB2 LYS A 26 17.957 11.779 2.607 1.00 0.71 H new ATOM 0 HB3 LYS A 26 16.890 12.189 1.279 1.00 0.71 H new ATOM 0 HG2 LYS A 26 15.595 12.719 3.122 1.00 1.03 H new ATOM 0 HG3 LYS A 26 15.018 11.114 2.723 1.00 1.03 H new ATOM 0 HD2 LYS A 26 15.342 11.146 5.093 1.00 0.70 H new ATOM 0 HD3 LYS A 26 16.646 10.182 4.429 1.00 0.70 H new ATOM 0 HE2 LYS A 26 18.165 12.141 4.538 1.00 0.94 H new ATOM 0 HE3 LYS A 26 16.862 13.127 5.170 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 18.067 12.453 7.025 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 16.727 11.411 7.024 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 18.235 10.855 6.477 1.00 1.56 H new ATOM 403 N PHE A 27 15.765 9.321 -0.244 1.00 0.45 N ATOM 404 CA PHE A 27 14.507 9.084 -0.928 1.00 0.44 C ATOM 405 C PHE A 27 14.505 7.716 -1.583 1.00 0.40 C ATOM 406 O PHE A 27 13.534 7.333 -2.236 1.00 0.40 O ATOM 407 CB PHE A 27 14.283 10.171 -1.986 1.00 0.50 C ATOM 408 CG PHE A 27 14.549 11.560 -1.477 1.00 0.78 C ATOM 409 CD1 PHE A 27 13.661 12.180 -0.614 1.00 1.28 C ATOM 410 CD2 PHE A 27 15.696 12.239 -1.852 1.00 1.76 C ATOM 411 CE1 PHE A 27 13.911 13.452 -0.137 1.00 1.59 C ATOM 412 CE2 PHE A 27 15.952 13.510 -1.378 1.00 2.09 C ATOM 413 CZ PHE A 27 15.058 14.117 -0.519 1.00 1.65 C ATOM 0 H PHE A 27 16.586 9.283 -0.848 1.00 0.45 H new ATOM 0 HA PHE A 27 13.699 9.117 -0.197 1.00 0.44 H new ATOM 0 HB2 PHE A 27 14.930 9.975 -2.841 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.255 10.113 -2.344 1.00 0.50 H new ATOM 0 HD1 PHE A 27 12.763 11.663 -0.310 1.00 1.28 H new ATOM 0 HD2 PHE A 27 16.399 11.768 -2.524 1.00 1.76 H new ATOM 0 HE1 PHE A 27 13.210 13.925 0.534 1.00 1.59 H new ATOM 0 HE2 PHE A 27 16.850 14.029 -1.679 1.00 2.09 H new ATOM 0 HZ PHE A 27 15.256 15.111 -0.146 1.00 1.65 H new ATOM 423 N LYS A 28 15.591 6.977 -1.391 1.00 0.39 N ATOM 424 CA LYS A 28 15.767 5.691 -2.044 1.00 0.36 C ATOM 425 C LYS A 28 16.571 4.745 -1.178 1.00 0.34 C ATOM 426 O LYS A 28 17.532 5.149 -0.536 1.00 0.38 O ATOM 427 CB LYS A 28 16.468 5.844 -3.389 1.00 0.40 C ATOM 428 CG LYS A 28 15.691 6.641 -4.416 1.00 0.49 C ATOM 429 CD LYS A 28 16.233 6.392 -5.806 1.00 0.56 C ATOM 430 CE LYS A 28 15.547 7.261 -6.842 1.00 0.86 C ATOM 431 NZ LYS A 28 14.122 6.893 -6.993 1.00 1.70 N ATOM 0 H LYS A 28 16.365 7.250 -0.785 1.00 0.39 H new ATOM 0 HA LYS A 28 14.771 5.278 -2.203 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.433 6.325 -3.229 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.670 4.852 -3.794 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.637 6.366 -4.376 1.00 0.49 H new ATOM 0 HG3 LYS A 28 15.752 7.704 -4.181 1.00 0.49 H new ATOM 0 HD2 LYS A 28 17.305 6.589 -5.819 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.099 5.342 -6.066 1.00 0.56 H new ATOM 0 HE2 LYS A 28 15.626 8.308 -6.551 1.00 0.86 H new ATOM 0 HE3 LYS A 28 16.055 7.158 -7.801 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 13.714 7.408 -7.799 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 14.044 5.870 -7.161 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 13.605 7.142 -6.126 1.00 1.70 H new ATOM 445 N LEU A 29 16.166 3.489 -1.193 1.00 0.31 N ATOM 446 CA LEU A 29 16.850 2.434 -0.470 1.00 0.28 C ATOM 447 C LEU A 29 17.759 1.662 -1.406 1.00 0.31 C ATOM 448 O LEU A 29 17.290 0.884 -2.234 1.00 0.33 O ATOM 449 CB LEU A 29 15.842 1.445 0.120 1.00 0.26 C ATOM 450 CG LEU A 29 14.884 1.994 1.156 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.651 1.120 1.209 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.549 2.040 2.519 1.00 0.25 C ATOM 0 H LEU A 29 15.347 3.170 -1.711 1.00 0.31 H new ATOM 0 HA LEU A 29 17.429 2.901 0.327 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.256 1.026 -0.698 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.396 0.621 0.570 1.00 0.26 H new ATOM 0 HG LEU A 29 14.599 3.009 0.878 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.959 1.512 1.954 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.167 1.113 0.232 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.937 0.103 1.479 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.848 2.437 3.253 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.849 1.034 2.811 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.428 2.682 2.473 1.00 0.25 H new ATOM 464 N ASN A 30 19.049 1.847 -1.262 1.00 0.32 N ATOM 465 CA ASN A 30 20.011 1.036 -1.990 1.00 0.36 C ATOM 466 C ASN A 30 20.024 -0.340 -1.348 1.00 0.33 C ATOM 467 O ASN A 30 19.436 -0.495 -0.286 1.00 0.30 O ATOM 468 CB ASN A 30 21.388 1.702 -1.966 1.00 0.42 C ATOM 469 CG ASN A 30 21.753 2.228 -0.595 1.00 0.44 C ATOM 470 OD1 ASN A 30 22.497 1.593 0.152 1.00 0.56 O ATOM 471 ND2 ASN A 30 21.188 3.375 -0.239 1.00 0.43 N ATOM 0 H ASN A 30 19.463 2.550 -0.649 1.00 0.32 H new ATOM 0 HA ASN A 30 19.735 0.939 -3.040 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.141 0.983 -2.288 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.404 2.523 -2.683 1.00 0.42 H new ATOM 0 HD21 ASN A 30 21.364 3.764 0.687 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.578 3.867 -0.892 1.00 0.43 H new ATOM 478 N LYS A 31 20.657 -1.336 -1.969 1.00 0.35 N ATOM 479 CA LYS A 31 20.550 -2.715 -1.474 1.00 0.34 C ATOM 480 C LYS A 31 20.803 -2.798 0.021 1.00 0.31 C ATOM 481 O LYS A 31 20.061 -3.457 0.732 1.00 0.31 O ATOM 482 CB LYS A 31 21.513 -3.668 -2.180 1.00 0.41 C ATOM 483 CG LYS A 31 20.940 -4.324 -3.424 1.00 0.68 C ATOM 484 CD LYS A 31 22.010 -5.106 -4.165 1.00 0.71 C ATOM 485 CE LYS A 31 21.457 -5.763 -5.415 1.00 1.15 C ATOM 486 NZ LYS A 31 22.522 -6.449 -6.197 1.00 1.99 N ATOM 0 H LYS A 31 21.239 -1.222 -2.799 1.00 0.35 H new ATOM 0 HA LYS A 31 19.527 -3.021 -1.692 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.414 -3.119 -2.455 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.815 -4.446 -1.479 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.124 -4.991 -3.145 1.00 0.68 H new ATOM 0 HG3 LYS A 31 20.520 -3.563 -4.081 1.00 0.68 H new ATOM 0 HD2 LYS A 31 22.828 -4.438 -4.436 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.426 -5.868 -3.506 1.00 0.71 H new ATOM 0 HE2 LYS A 31 20.689 -6.484 -5.137 1.00 1.15 H new ATOM 0 HE3 LYS A 31 20.976 -5.010 -6.039 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 22.089 -6.998 -6.967 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.169 -5.740 -6.598 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 23.054 -7.089 -5.573 1.00 1.99 H new ATOM 500 N SER A 32 21.831 -2.108 0.490 1.00 0.34 N ATOM 501 CA SER A 32 22.177 -2.120 1.904 1.00 0.37 C ATOM 502 C SER A 32 20.986 -1.680 2.751 1.00 0.34 C ATOM 503 O SER A 32 20.605 -2.357 3.704 1.00 0.38 O ATOM 504 CB SER A 32 23.384 -1.212 2.149 1.00 0.45 C ATOM 505 OG SER A 32 24.480 -1.606 1.333 1.00 1.33 O ATOM 0 H SER A 32 22.442 -1.531 -0.089 1.00 0.34 H new ATOM 0 HA SER A 32 22.439 -3.137 2.197 1.00 0.37 H new ATOM 0 HB2 SER A 32 23.117 -0.177 1.934 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.671 -1.256 3.199 1.00 0.45 H new ATOM 0 HG SER A 32 25.243 -1.014 1.501 1.00 1.33 H new ATOM 511 N GLU A 33 20.380 -0.568 2.367 1.00 0.32 N ATOM 512 CA GLU A 33 19.213 -0.048 3.058 1.00 0.35 C ATOM 513 C GLU A 33 17.998 -0.940 2.826 1.00 0.30 C ATOM 514 O GLU A 33 17.236 -1.215 3.753 1.00 0.32 O ATOM 515 CB GLU A 33 18.927 1.360 2.568 1.00 0.45 C ATOM 516 CG GLU A 33 20.033 2.345 2.889 1.00 0.59 C ATOM 517 CD GLU A 33 19.687 3.744 2.446 1.00 1.50 C ATOM 518 OE1 GLU A 33 19.111 3.887 1.354 1.00 2.32 O ATOM 519 OE2 GLU A 33 19.981 4.695 3.197 1.00 2.15 O ATOM 0 H GLU A 33 20.681 -0.004 1.572 1.00 0.32 H new ATOM 0 HA GLU A 33 19.418 -0.031 4.128 1.00 0.35 H new ATOM 0 HB2 GLU A 33 18.773 1.337 1.489 1.00 0.45 H new ATOM 0 HB3 GLU A 33 17.997 1.711 3.016 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.223 2.341 3.962 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.955 2.027 2.401 1.00 0.59 H new ATOM 526 N LEU A 34 17.834 -1.381 1.581 1.00 0.30 N ATOM 527 CA LEU A 34 16.748 -2.268 1.188 1.00 0.33 C ATOM 528 C LEU A 34 16.706 -3.491 2.088 1.00 0.29 C ATOM 529 O LEU A 34 15.688 -3.781 2.698 1.00 0.30 O ATOM 530 CB LEU A 34 16.939 -2.704 -0.265 1.00 0.50 C ATOM 531 CG LEU A 34 15.788 -3.508 -0.869 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.548 -2.641 -0.974 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.179 -4.069 -2.232 1.00 0.55 C ATOM 0 H LEU A 34 18.457 -1.130 0.813 1.00 0.30 H new ATOM 0 HA LEU A 34 15.805 -1.730 1.286 1.00 0.33 H new ATOM 0 HB2 LEU A 34 17.097 -1.814 -0.875 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.849 -3.301 -0.330 1.00 0.50 H new ATOM 0 HG LEU A 34 15.567 -4.350 -0.214 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.733 -3.222 -1.405 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.261 -2.295 0.019 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.758 -1.782 -1.611 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.345 -4.638 -2.644 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.427 -3.249 -2.906 1.00 0.55 H new ATOM 0 HD23 LEU A 34 17.045 -4.722 -2.122 1.00 0.55 H new ATOM 545 N LYS A 35 17.829 -4.189 2.160 1.00 0.29 N ATOM 546 CA LYS A 35 17.971 -5.368 3.007 1.00 0.29 C ATOM 547 C LYS A 35 17.557 -5.081 4.433 1.00 0.29 C ATOM 548 O LYS A 35 16.707 -5.767 4.995 1.00 0.31 O ATOM 549 CB LYS A 35 19.421 -5.821 3.023 1.00 0.32 C ATOM 550 CG LYS A 35 19.942 -6.215 1.663 1.00 0.39 C ATOM 551 CD LYS A 35 21.457 -6.113 1.595 1.00 0.52 C ATOM 552 CE LYS A 35 22.124 -7.392 2.043 1.00 0.70 C ATOM 553 NZ LYS A 35 23.593 -7.230 2.204 1.00 1.29 N ATOM 0 H LYS A 35 18.670 -3.955 1.633 1.00 0.29 H new ATOM 0 HA LYS A 35 17.325 -6.143 2.594 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.040 -5.018 3.422 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.522 -6.668 3.702 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.635 -7.236 1.436 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.499 -5.572 0.902 1.00 0.39 H new ATOM 0 HD2 LYS A 35 21.761 -5.883 0.574 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.795 -5.288 2.222 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.689 -7.715 2.989 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.924 -8.179 1.316 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 24.010 -8.131 2.512 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 24.013 -6.947 1.295 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.785 -6.498 2.917 1.00 1.29 H new ATOM 567 N GLU A 36 18.167 -4.065 5.018 1.00 0.29 N ATOM 568 CA GLU A 36 17.970 -3.790 6.424 1.00 0.32 C ATOM 569 C GLU A 36 16.538 -3.391 6.704 1.00 0.31 C ATOM 570 O GLU A 36 15.950 -3.827 7.683 1.00 0.39 O ATOM 571 CB GLU A 36 18.926 -2.714 6.908 1.00 0.36 C ATOM 572 CG GLU A 36 20.367 -3.062 6.622 1.00 0.37 C ATOM 573 CD GLU A 36 21.342 -2.050 7.181 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.597 -1.032 6.512 1.00 1.31 O ATOM 575 OE2 GLU A 36 21.844 -2.257 8.306 1.00 1.14 O ATOM 0 H GLU A 36 18.799 -3.422 4.541 1.00 0.29 H new ATOM 0 HA GLU A 36 18.182 -4.707 6.973 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.680 -1.768 6.426 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.795 -2.569 7.980 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.589 -4.043 7.043 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.509 -3.138 5.544 1.00 0.37 H new ATOM 582 N LEU A 37 15.973 -2.564 5.845 1.00 0.27 N ATOM 583 CA LEU A 37 14.576 -2.206 5.969 1.00 0.26 C ATOM 584 C LEU A 37 13.704 -3.444 5.799 1.00 0.27 C ATOM 585 O LEU A 37 12.808 -3.692 6.582 1.00 0.31 O ATOM 586 CB LEU A 37 14.198 -1.148 4.928 1.00 0.24 C ATOM 587 CG LEU A 37 12.762 -0.623 5.023 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.673 0.786 4.473 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.800 -1.533 4.278 1.00 0.50 C ATOM 0 H LEU A 37 16.458 -2.131 5.059 1.00 0.27 H new ATOM 0 HA LEU A 37 14.411 -1.788 6.962 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.883 -0.306 5.024 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.349 -1.569 3.934 1.00 0.24 H new ATOM 0 HG LEU A 37 12.480 -0.610 6.076 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.646 1.142 4.549 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.328 1.442 5.046 1.00 0.29 H new ATOM 0 HD13 LEU A 37 12.982 0.789 3.428 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.787 -1.138 4.361 1.00 0.50 H new ATOM 0 HD22 LEU A 37 12.085 -1.582 3.227 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.836 -2.533 4.711 1.00 0.50 H new ATOM 601 N LEU A 38 13.979 -4.219 4.776 1.00 0.27 N ATOM 602 CA LEU A 38 13.175 -5.391 4.468 1.00 0.29 C ATOM 603 C LEU A 38 13.235 -6.434 5.578 1.00 0.31 C ATOM 604 O LEU A 38 12.296 -7.195 5.778 1.00 0.40 O ATOM 605 CB LEU A 38 13.645 -6.005 3.160 1.00 0.32 C ATOM 606 CG LEU A 38 12.785 -5.687 1.939 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.421 -6.330 2.085 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.644 -4.185 1.741 1.00 0.43 C ATOM 0 H LEU A 38 14.757 -4.062 4.136 1.00 0.27 H new ATOM 0 HA LEU A 38 12.138 -5.066 4.377 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.662 -5.666 2.964 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.687 -7.087 3.281 1.00 0.32 H new ATOM 0 HG LEU A 38 13.280 -6.095 1.058 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.814 -6.098 1.210 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.535 -7.411 2.171 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.931 -5.945 2.979 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.027 -3.990 0.864 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.175 -3.745 2.621 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.630 -3.743 1.596 1.00 0.43 H new ATOM 620 N THR A 39 14.347 -6.481 6.279 1.00 0.32 N ATOM 621 CA THR A 39 14.511 -7.417 7.372 1.00 0.33 C ATOM 622 C THR A 39 13.954 -6.865 8.687 1.00 0.34 C ATOM 623 O THR A 39 13.372 -7.594 9.490 1.00 0.38 O ATOM 624 CB THR A 39 15.995 -7.776 7.560 1.00 0.33 C ATOM 625 OG1 THR A 39 16.771 -6.585 7.727 1.00 0.32 O ATOM 626 CG2 THR A 39 16.522 -8.541 6.358 1.00 0.35 C ATOM 0 H THR A 39 15.154 -5.880 6.111 1.00 0.32 H new ATOM 0 HA THR A 39 13.947 -8.312 7.110 1.00 0.33 H new ATOM 0 HB THR A 39 16.079 -8.402 8.448 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.911 -6.161 6.855 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.573 -8.784 6.514 1.00 0.35 H new ATOM 0 HG22 THR A 39 15.951 -9.461 6.234 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.420 -7.927 5.463 1.00 0.35 H new ATOM 634 N ARG A 40 14.138 -5.571 8.886 1.00 0.34 N ATOM 635 CA ARG A 40 13.791 -4.909 10.143 1.00 0.37 C ATOM 636 C ARG A 40 12.397 -4.301 10.113 1.00 0.40 C ATOM 637 O ARG A 40 11.674 -4.353 11.106 1.00 0.47 O ATOM 638 CB ARG A 40 14.851 -3.849 10.435 1.00 0.37 C ATOM 639 CG ARG A 40 16.141 -4.452 10.966 1.00 0.63 C ATOM 640 CD ARG A 40 17.292 -3.470 10.889 1.00 0.56 C ATOM 641 NE ARG A 40 18.571 -4.105 11.188 1.00 1.16 N ATOM 642 CZ ARG A 40 19.747 -3.650 10.765 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.823 -2.488 10.130 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.854 -4.339 11.005 1.00 2.31 N ATOM 0 H ARG A 40 14.532 -4.945 8.184 1.00 0.34 H new ATOM 0 HA ARG A 40 13.774 -5.652 10.940 1.00 0.37 H new ATOM 0 HB2 ARG A 40 15.063 -3.290 9.524 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.459 -3.138 11.162 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.998 -4.764 12.000 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.387 -5.347 10.394 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.329 -3.032 9.892 1.00 0.56 H new ATOM 0 HD3 ARG A 40 17.120 -2.653 11.590 1.00 0.56 H new ATOM 0 HE ARG A 40 18.563 -4.951 11.757 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.978 -1.941 9.965 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.726 -2.142 9.807 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.805 -5.221 11.515 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.754 -3.987 10.679 1.00 2.31 H new ATOM 658 N GLU A 41 12.023 -3.739 8.982 1.00 0.40 N ATOM 659 CA GLU A 41 10.723 -3.111 8.826 1.00 0.46 C ATOM 660 C GLU A 41 9.750 -4.067 8.161 1.00 0.54 C ATOM 661 O GLU A 41 8.581 -3.751 8.005 1.00 0.85 O ATOM 662 CB GLU A 41 10.832 -1.841 7.978 1.00 0.52 C ATOM 663 CG GLU A 41 12.013 -0.933 8.317 1.00 0.53 C ATOM 664 CD GLU A 41 12.091 -0.543 9.774 1.00 0.51 C ATOM 665 OE1 GLU A 41 11.285 0.296 10.229 1.00 1.30 O ATOM 666 OE2 GLU A 41 12.971 -1.063 10.473 1.00 1.02 O ATOM 0 H GLU A 41 12.607 -3.704 8.147 1.00 0.40 H new ATOM 0 HA GLU A 41 10.358 -2.850 9.819 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.905 -2.129 6.929 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.911 -1.269 8.089 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.938 -1.437 8.037 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.947 -0.028 7.713 1.00 0.53 H new ATOM 673 N LEU A 42 10.246 -5.214 7.734 1.00 0.40 N ATOM 674 CA LEU A 42 9.382 -6.265 7.215 1.00 0.41 C ATOM 675 C LEU A 42 9.831 -7.657 7.683 1.00 0.37 C ATOM 676 O LEU A 42 10.103 -8.544 6.864 1.00 0.36 O ATOM 677 CB LEU A 42 9.333 -6.182 5.691 1.00 0.44 C ATOM 678 CG LEU A 42 8.458 -5.055 5.143 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.899 -4.664 3.749 1.00 0.65 C ATOM 680 CD2 LEU A 42 7.002 -5.486 5.125 1.00 0.74 C ATOM 0 H LEU A 42 11.240 -5.444 7.735 1.00 0.40 H new ATOM 0 HA LEU A 42 8.378 -6.112 7.611 1.00 0.41 H new ATOM 0 HB2 LEU A 42 10.348 -6.052 5.315 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.967 -7.131 5.300 1.00 0.44 H new ATOM 0 HG LEU A 42 8.566 -4.189 5.795 1.00 0.50 H new ATOM 0 HD11 LEU A 42 8.263 -3.860 3.378 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.934 -4.324 3.777 1.00 0.65 H new ATOM 0 HD13 LEU A 42 8.818 -5.526 3.087 1.00 0.65 H new ATOM 0 HD21 LEU A 42 6.387 -4.676 4.733 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.891 -6.365 4.491 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.681 -5.727 6.139 1.00 0.74 H new ATOM 692 N PRO A 43 9.915 -7.870 9.019 1.00 0.40 N ATOM 693 CA PRO A 43 10.276 -9.162 9.611 1.00 0.44 C ATOM 694 C PRO A 43 9.478 -10.334 9.070 1.00 0.45 C ATOM 695 O PRO A 43 10.014 -11.423 8.907 1.00 0.49 O ATOM 696 CB PRO A 43 9.943 -8.980 11.080 1.00 0.51 C ATOM 697 CG PRO A 43 10.144 -7.534 11.325 1.00 0.48 C ATOM 698 CD PRO A 43 9.698 -6.850 10.067 1.00 0.44 C ATOM 0 HA PRO A 43 11.317 -9.402 9.393 1.00 0.44 H new ATOM 0 HB2 PRO A 43 8.918 -9.281 11.296 1.00 0.51 H new ATOM 0 HB3 PRO A 43 10.593 -9.585 11.713 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.562 -7.197 12.183 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.189 -7.314 11.542 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.652 -6.550 10.123 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.278 -5.948 9.874 1.00 0.44 H new ATOM 706 N SER A 44 8.204 -10.120 8.798 1.00 0.45 N ATOM 707 CA SER A 44 7.349 -11.199 8.352 1.00 0.47 C ATOM 708 C SER A 44 7.626 -11.489 6.893 1.00 0.44 C ATOM 709 O SER A 44 7.955 -12.625 6.520 1.00 0.45 O ATOM 710 CB SER A 44 5.879 -10.847 8.547 1.00 0.51 C ATOM 711 OG SER A 44 5.034 -11.926 8.181 1.00 0.59 O ATOM 0 H SER A 44 7.743 -9.214 8.878 1.00 0.45 H new ATOM 0 HA SER A 44 7.564 -12.086 8.948 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.702 -10.582 9.589 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.631 -9.970 7.949 1.00 0.51 H new ATOM 0 HG SER A 44 4.098 -11.670 8.319 1.00 0.59 H new ATOM 717 N PHE A 45 7.540 -10.433 6.090 1.00 0.42 N ATOM 718 CA PHE A 45 7.695 -10.550 4.642 1.00 0.41 C ATOM 719 C PHE A 45 8.941 -11.340 4.283 1.00 0.42 C ATOM 720 O PHE A 45 8.866 -12.364 3.599 1.00 0.46 O ATOM 721 CB PHE A 45 7.759 -9.183 3.967 1.00 0.45 C ATOM 722 CG PHE A 45 7.741 -9.302 2.468 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.564 -9.598 1.800 1.00 1.83 C ATOM 724 CD2 PHE A 45 8.902 -9.146 1.732 1.00 1.81 C ATOM 725 CE1 PHE A 45 6.545 -9.735 0.426 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.890 -9.280 0.357 1.00 2.38 C ATOM 727 CZ PHE A 45 7.709 -9.575 -0.297 1.00 2.41 C ATOM 0 H PHE A 45 7.363 -9.483 6.418 1.00 0.42 H new ATOM 0 HA PHE A 45 6.815 -11.080 4.279 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.915 -8.576 4.294 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.665 -8.664 4.280 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.650 -9.723 2.361 1.00 1.83 H new ATOM 0 HD2 PHE A 45 9.828 -8.917 2.238 1.00 1.81 H new ATOM 0 HE1 PHE A 45 5.620 -9.967 -0.082 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.803 -9.154 -0.206 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.697 -9.680 -1.372 1.00 2.41 H new ATOM 737 N LEU A 46 10.087 -10.872 4.741 1.00 0.45 N ATOM 738 CA LEU A 46 11.330 -11.553 4.427 1.00 0.57 C ATOM 739 C LEU A 46 11.693 -12.577 5.481 1.00 0.65 C ATOM 740 O LEU A 46 12.669 -13.305 5.329 1.00 0.66 O ATOM 741 CB LEU A 46 12.482 -10.587 4.230 1.00 0.67 C ATOM 742 CG LEU A 46 12.508 -9.848 2.898 1.00 0.57 C ATOM 743 CD1 LEU A 46 13.885 -9.268 2.691 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.131 -10.766 1.736 1.00 0.55 C ATOM 0 H LEU A 46 10.184 -10.039 5.321 1.00 0.45 H new ATOM 0 HA LEU A 46 11.157 -12.071 3.484 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.454 -9.850 5.032 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.416 -11.139 4.336 1.00 0.67 H new ATOM 0 HG LEU A 46 11.768 -9.048 2.925 1.00 0.57 H new ATOM 0 HD11 LEU A 46 13.917 -8.736 1.740 1.00 0.71 H new ATOM 0 HD12 LEU A 46 14.114 -8.576 3.502 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.621 -10.072 2.681 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.161 -10.203 0.803 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.837 -11.594 1.683 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.125 -11.156 1.892 1.00 0.55 H new ATOM 756 N GLY A 47 10.907 -12.644 6.543 1.00 0.74 N ATOM 757 CA GLY A 47 11.088 -13.705 7.510 1.00 0.90 C ATOM 758 C GLY A 47 10.918 -15.041 6.841 1.00 0.89 C ATOM 759 O GLY A 47 11.481 -16.050 7.268 1.00 0.99 O ATOM 0 H GLY A 47 10.153 -11.989 6.752 1.00 0.74 H new ATOM 0 HA2 GLY A 47 12.080 -13.636 7.957 1.00 0.90 H new ATOM 0 HA3 GLY A 47 10.365 -13.599 8.319 1.00 0.90 H new ATOM 763 N LYS A 48 10.135 -15.030 5.773 1.00 0.79 N ATOM 764 CA LYS A 48 9.981 -16.200 4.928 1.00 0.82 C ATOM 765 C LYS A 48 11.220 -16.476 4.078 1.00 0.78 C ATOM 766 O LYS A 48 11.560 -17.635 3.840 1.00 0.87 O ATOM 767 CB LYS A 48 8.800 -16.028 3.981 1.00 0.82 C ATOM 768 CG LYS A 48 7.443 -16.382 4.573 1.00 1.08 C ATOM 769 CD LYS A 48 6.997 -15.370 5.617 1.00 1.51 C ATOM 770 CE LYS A 48 5.611 -15.688 6.154 1.00 2.27 C ATOM 771 NZ LYS A 48 5.146 -14.664 7.126 1.00 3.17 N ATOM 0 H LYS A 48 9.595 -14.219 5.472 1.00 0.79 H new ATOM 0 HA LYS A 48 9.820 -17.039 5.605 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.773 -14.992 3.643 1.00 0.82 H new ATOM 0 HB3 LYS A 48 8.968 -16.647 3.099 1.00 0.82 H new ATOM 0 HG2 LYS A 48 6.701 -16.432 3.776 1.00 1.08 H new ATOM 0 HG3 LYS A 48 7.492 -17.372 5.025 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.712 -15.357 6.440 1.00 1.51 H new ATOM 0 HD3 LYS A 48 6.997 -14.372 5.179 1.00 1.51 H new ATOM 0 HE2 LYS A 48 4.906 -15.749 5.325 1.00 2.27 H new ATOM 0 HE3 LYS A 48 5.623 -16.666 6.635 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 4.107 -14.618 7.112 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 5.468 -14.920 8.081 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 5.537 -13.736 6.866 1.00 3.17 H new ATOM 785 N ARG A 49 11.914 -15.429 3.642 1.00 0.73 N ATOM 786 CA ARG A 49 12.944 -15.604 2.627 1.00 0.81 C ATOM 787 C ARG A 49 13.924 -14.434 2.600 1.00 0.74 C ATOM 788 O ARG A 49 13.736 -13.461 1.876 1.00 1.00 O ATOM 789 CB ARG A 49 12.276 -15.790 1.254 1.00 0.95 C ATOM 790 CG ARG A 49 13.134 -16.518 0.228 1.00 1.17 C ATOM 791 CD ARG A 49 14.146 -15.600 -0.434 1.00 1.02 C ATOM 792 NE ARG A 49 15.002 -16.323 -1.375 1.00 1.61 N ATOM 793 CZ ARG A 49 15.065 -16.067 -2.683 1.00 1.87 C ATOM 794 NH1 ARG A 49 14.295 -15.130 -3.225 1.00 2.14 N ATOM 795 NH2 ARG A 49 15.891 -16.763 -3.452 1.00 2.50 N ATOM 0 H ARG A 49 11.786 -14.471 3.968 1.00 0.73 H new ATOM 0 HA ARG A 49 13.524 -16.493 2.875 1.00 0.81 H new ATOM 0 HB2 ARG A 49 11.346 -16.342 1.388 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.011 -14.810 0.857 1.00 0.95 H new ATOM 0 HG2 ARG A 49 13.657 -17.341 0.714 1.00 1.17 H new ATOM 0 HG3 ARG A 49 12.491 -16.956 -0.535 1.00 1.17 H new ATOM 0 HD2 ARG A 49 13.623 -14.801 -0.959 1.00 1.02 H new ATOM 0 HD3 ARG A 49 14.763 -15.128 0.330 1.00 1.02 H new ATOM 0 HE ARG A 49 15.589 -17.072 -1.007 1.00 1.61 H new ATOM 0 HH11 ARG A 49 13.649 -14.600 -2.640 1.00 2.14 H new ATOM 0 HH12 ARG A 49 14.350 -14.941 -4.226 1.00 2.14 H new ATOM 0 HH21 ARG A 49 16.476 -17.492 -3.043 1.00 2.50 H new ATOM 0 HH22 ARG A 49 15.941 -16.570 -4.452 1.00 2.50 H new ATOM 809 N THR A 50 14.971 -14.548 3.394 1.00 0.76 N ATOM 810 CA THR A 50 16.075 -13.593 3.354 1.00 0.73 C ATOM 811 C THR A 50 17.299 -14.224 2.703 1.00 0.82 C ATOM 812 O THR A 50 17.811 -15.241 3.175 1.00 1.33 O ATOM 813 CB THR A 50 16.466 -13.078 4.754 1.00 0.74 C ATOM 814 OG1 THR A 50 16.570 -14.173 5.676 1.00 0.84 O ATOM 815 CG2 THR A 50 15.458 -12.071 5.271 1.00 0.63 C ATOM 0 H THR A 50 15.086 -15.294 4.080 1.00 0.76 H new ATOM 0 HA THR A 50 15.727 -12.744 2.766 1.00 0.73 H new ATOM 0 HB THR A 50 17.433 -12.583 4.668 1.00 0.74 H new ATOM 0 HG1 THR A 50 16.869 -14.975 5.199 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.762 -11.727 6.260 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.410 -11.221 4.590 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.476 -12.540 5.336 1.00 0.63 H new ATOM 823 N ASP A 51 17.765 -13.621 1.621 1.00 0.57 N ATOM 824 CA ASP A 51 18.922 -14.127 0.894 1.00 0.62 C ATOM 825 C ASP A 51 19.449 -13.050 -0.042 1.00 0.58 C ATOM 826 O ASP A 51 18.758 -12.059 -0.285 1.00 0.55 O ATOM 827 CB ASP A 51 18.549 -15.385 0.095 1.00 0.69 C ATOM 828 CG ASP A 51 19.740 -16.017 -0.602 1.00 1.26 C ATOM 829 OD1 ASP A 51 20.480 -16.779 0.052 1.00 1.78 O ATOM 830 OD2 ASP A 51 19.941 -15.753 -1.806 1.00 2.01 O ATOM 0 H ASP A 51 17.358 -12.775 1.223 1.00 0.57 H new ATOM 0 HA ASP A 51 19.699 -14.393 1.610 1.00 0.62 H new ATOM 0 HB2 ASP A 51 18.098 -16.115 0.767 1.00 0.69 H new ATOM 0 HB3 ASP A 51 17.795 -15.127 -0.648 1.00 0.69 H new ATOM 835 N GLU A 52 20.659 -13.227 -0.551 1.00 0.67 N ATOM 836 CA GLU A 52 21.214 -12.296 -1.525 1.00 0.71 C ATOM 837 C GLU A 52 20.312 -12.191 -2.736 1.00 0.67 C ATOM 838 O GLU A 52 19.976 -11.094 -3.188 1.00 0.63 O ATOM 839 CB GLU A 52 22.610 -12.721 -1.955 1.00 0.87 C ATOM 840 CG GLU A 52 23.625 -12.605 -0.843 1.00 0.95 C ATOM 841 CD GLU A 52 25.021 -12.964 -1.291 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.388 -14.152 -1.212 1.00 1.81 O ATOM 843 OE2 GLU A 52 25.759 -12.056 -1.718 1.00 1.91 O ATOM 0 H GLU A 52 21.274 -14.003 -0.308 1.00 0.67 H new ATOM 0 HA GLU A 52 21.282 -11.318 -1.048 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.579 -13.752 -2.306 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.929 -12.107 -2.797 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.622 -11.585 -0.458 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.333 -13.257 -0.020 1.00 0.95 H new ATOM 850 N ALA A 53 19.897 -13.342 -3.229 1.00 0.71 N ATOM 851 CA ALA A 53 19.003 -13.404 -4.368 1.00 0.76 C ATOM 852 C ALA A 53 17.677 -12.736 -4.040 1.00 0.66 C ATOM 853 O ALA A 53 17.051 -12.124 -4.896 1.00 0.69 O ATOM 854 CB ALA A 53 18.780 -14.846 -4.783 1.00 0.91 C ATOM 0 H ALA A 53 20.167 -14.252 -2.855 1.00 0.71 H new ATOM 0 HA ALA A 53 19.462 -12.869 -5.199 1.00 0.76 H new ATOM 0 HB1 ALA A 53 18.107 -14.878 -5.640 1.00 0.91 H new ATOM 0 HB2 ALA A 53 19.734 -15.298 -5.054 1.00 0.91 H new ATOM 0 HB3 ALA A 53 18.339 -15.399 -3.954 1.00 0.91 H new ATOM 860 N ALA A 54 17.272 -12.847 -2.785 1.00 0.60 N ATOM 861 CA ALA A 54 16.021 -12.266 -2.324 1.00 0.59 C ATOM 862 C ALA A 54 16.009 -10.756 -2.510 1.00 0.48 C ATOM 863 O ALA A 54 15.126 -10.227 -3.173 1.00 0.46 O ATOM 864 CB ALA A 54 15.769 -12.614 -0.868 1.00 0.64 C ATOM 0 H ALA A 54 17.797 -13.339 -2.062 1.00 0.60 H new ATOM 0 HA ALA A 54 15.221 -12.690 -2.930 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.828 -12.169 -0.545 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.715 -13.697 -0.757 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.583 -12.226 -0.255 1.00 0.64 H new ATOM 870 N PHE A 55 16.995 -10.064 -1.940 1.00 0.46 N ATOM 871 CA PHE A 55 17.018 -8.606 -2.017 1.00 0.42 C ATOM 872 C PHE A 55 17.301 -8.140 -3.428 1.00 0.44 C ATOM 873 O PHE A 55 16.700 -7.195 -3.907 1.00 0.45 O ATOM 874 CB PHE A 55 18.013 -7.998 -1.020 1.00 0.44 C ATOM 875 CG PHE A 55 19.473 -8.346 -1.188 1.00 1.06 C ATOM 876 CD1 PHE A 55 20.234 -7.812 -2.216 1.00 1.98 C ATOM 877 CD2 PHE A 55 20.094 -9.178 -0.273 1.00 1.87 C ATOM 878 CE1 PHE A 55 21.579 -8.109 -2.330 1.00 2.77 C ATOM 879 CE2 PHE A 55 21.436 -9.479 -0.384 1.00 2.70 C ATOM 880 CZ PHE A 55 22.179 -8.943 -1.415 1.00 2.95 C ATOM 0 H PHE A 55 17.774 -10.480 -1.430 1.00 0.46 H new ATOM 0 HA PHE A 55 16.026 -8.250 -1.739 1.00 0.42 H new ATOM 0 HB2 PHE A 55 17.918 -6.913 -1.070 1.00 0.44 H new ATOM 0 HB3 PHE A 55 17.709 -8.298 -0.017 1.00 0.44 H new ATOM 0 HD1 PHE A 55 19.770 -7.155 -2.937 1.00 1.98 H new ATOM 0 HD2 PHE A 55 19.520 -9.598 0.540 1.00 1.87 H new ATOM 0 HE1 PHE A 55 22.159 -7.686 -3.137 1.00 2.77 H new ATOM 0 HE2 PHE A 55 21.904 -10.134 0.336 1.00 2.70 H new ATOM 0 HZ PHE A 55 23.229 -9.177 -1.504 1.00 2.95 H new ATOM 890 N GLN A 56 18.241 -8.801 -4.059 1.00 0.49 N ATOM 891 CA GLN A 56 18.530 -8.601 -5.484 1.00 0.54 C ATOM 892 C GLN A 56 17.252 -8.651 -6.322 1.00 0.53 C ATOM 893 O GLN A 56 16.936 -7.700 -7.041 1.00 0.57 O ATOM 894 CB GLN A 56 19.514 -9.676 -5.962 1.00 0.62 C ATOM 895 CG GLN A 56 19.723 -9.720 -7.470 1.00 0.76 C ATOM 896 CD GLN A 56 20.267 -8.428 -8.046 1.00 0.98 C ATOM 897 OE1 GLN A 56 21.477 -8.214 -8.086 1.00 1.69 O ATOM 898 NE2 GLN A 56 19.378 -7.565 -8.511 1.00 0.87 N ATOM 0 H GLN A 56 18.836 -9.497 -3.610 1.00 0.49 H new ATOM 0 HA GLN A 56 18.974 -7.614 -5.610 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.477 -9.508 -5.480 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.156 -10.651 -5.630 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.410 -10.532 -7.710 1.00 0.76 H new ATOM 0 HG3 GLN A 56 18.774 -9.952 -7.953 1.00 0.76 H new ATOM 0 HE21 GLN A 56 18.382 -7.781 -8.459 1.00 0.87 H new ATOM 0 HE22 GLN A 56 19.688 -6.684 -8.921 1.00 0.87 H new ATOM 907 N LYS A 57 16.521 -9.751 -6.220 1.00 0.51 N ATOM 908 CA LYS A 57 15.308 -9.937 -7.002 1.00 0.52 C ATOM 909 C LYS A 57 14.232 -8.949 -6.581 1.00 0.48 C ATOM 910 O LYS A 57 13.629 -8.289 -7.424 1.00 0.48 O ATOM 911 CB LYS A 57 14.797 -11.374 -6.868 1.00 0.55 C ATOM 912 CG LYS A 57 15.020 -12.216 -8.116 1.00 0.76 C ATOM 913 CD LYS A 57 16.490 -12.291 -8.508 1.00 1.01 C ATOM 914 CE LYS A 57 17.268 -13.267 -7.643 1.00 0.87 C ATOM 915 NZ LYS A 57 18.679 -13.394 -8.098 1.00 1.60 N ATOM 0 H LYS A 57 16.747 -10.530 -5.602 1.00 0.51 H new ATOM 0 HA LYS A 57 15.549 -9.750 -8.048 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.295 -11.851 -6.024 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.731 -11.353 -6.639 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.640 -13.223 -7.945 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.447 -11.796 -8.942 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.570 -12.591 -9.553 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.937 -11.300 -8.426 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.248 -12.932 -6.606 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.786 -14.244 -7.672 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 19.182 -14.068 -7.486 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 18.698 -13.737 -9.080 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 19.145 -12.466 -8.047 1.00 1.60 H new ATOM 929 N LEU A 58 14.012 -8.838 -5.276 1.00 0.46 N ATOM 930 CA LEU A 58 13.010 -7.930 -4.736 1.00 0.43 C ATOM 931 C LEU A 58 13.294 -6.504 -5.169 1.00 0.43 C ATOM 932 O LEU A 58 12.381 -5.747 -5.482 1.00 0.42 O ATOM 933 CB LEU A 58 12.993 -8.003 -3.215 1.00 0.43 C ATOM 934 CG LEU A 58 11.793 -7.336 -2.552 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.494 -7.922 -3.078 1.00 0.40 C ATOM 936 CD2 LEU A 58 11.881 -7.502 -1.050 1.00 0.41 C ATOM 0 H LEU A 58 14.519 -9.370 -4.569 1.00 0.46 H new ATOM 0 HA LEU A 58 12.036 -8.232 -5.122 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.018 -9.051 -2.916 1.00 0.43 H new ATOM 0 HB3 LEU A 58 13.903 -7.541 -2.834 1.00 0.43 H new ATOM 0 HG LEU A 58 11.804 -6.273 -2.793 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.651 -7.432 -2.592 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.434 -7.765 -4.155 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.464 -8.991 -2.865 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.022 -7.024 -0.580 1.00 0.41 H new ATOM 0 HD22 LEU A 58 11.887 -8.563 -0.801 1.00 0.41 H new ATOM 0 HD23 LEU A 58 12.798 -7.039 -0.686 1.00 0.41 H new ATOM 948 N MET A 59 14.566 -6.157 -5.184 1.00 0.46 N ATOM 949 CA MET A 59 15.007 -4.856 -5.633 1.00 0.48 C ATOM 950 C MET A 59 14.507 -4.603 -7.037 1.00 0.48 C ATOM 951 O MET A 59 13.726 -3.694 -7.257 1.00 0.49 O ATOM 952 CB MET A 59 16.529 -4.778 -5.598 1.00 0.54 C ATOM 953 CG MET A 59 17.087 -3.496 -6.162 1.00 0.57 C ATOM 954 SD MET A 59 18.873 -3.541 -6.311 1.00 1.64 S ATOM 955 CE MET A 59 19.035 -4.733 -7.630 1.00 2.39 C ATOM 0 H MET A 59 15.322 -6.772 -4.884 1.00 0.46 H new ATOM 0 HA MET A 59 14.602 -4.094 -4.968 1.00 0.48 H new ATOM 0 HB2 MET A 59 16.865 -4.887 -4.567 1.00 0.54 H new ATOM 0 HB3 MET A 59 16.939 -5.619 -6.157 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.647 -3.311 -7.142 1.00 0.57 H new ATOM 0 HG3 MET A 59 16.799 -2.663 -5.521 1.00 0.57 H new ATOM 0 HE1 MET A 59 20.035 -4.667 -8.060 1.00 2.39 H new ATOM 0 HE2 MET A 59 18.875 -5.736 -7.235 1.00 2.39 H new ATOM 0 HE3 MET A 59 18.294 -4.525 -8.402 1.00 2.39 H new ATOM 965 N SER A 60 14.912 -5.456 -7.963 1.00 0.50 N ATOM 966 CA SER A 60 14.502 -5.323 -9.353 1.00 0.53 C ATOM 967 C SER A 60 12.979 -5.402 -9.484 1.00 0.52 C ATOM 968 O SER A 60 12.410 -4.926 -10.460 1.00 0.56 O ATOM 969 CB SER A 60 15.179 -6.382 -10.223 1.00 0.56 C ATOM 970 OG SER A 60 14.718 -6.325 -11.565 1.00 1.35 O ATOM 0 H SER A 60 15.525 -6.250 -7.778 1.00 0.50 H new ATOM 0 HA SER A 60 14.819 -4.342 -9.706 1.00 0.53 H new ATOM 0 HB2 SER A 60 16.259 -6.236 -10.202 1.00 0.56 H new ATOM 0 HB3 SER A 60 14.983 -7.372 -9.812 1.00 0.56 H new ATOM 0 HG SER A 60 15.171 -7.013 -12.096 1.00 1.35 H new ATOM 976 N ASN A 61 12.323 -6.022 -8.510 1.00 0.49 N ATOM 977 CA ASN A 61 10.870 -6.092 -8.514 1.00 0.51 C ATOM 978 C ASN A 61 10.278 -4.713 -8.293 1.00 0.50 C ATOM 979 O ASN A 61 9.439 -4.244 -9.062 1.00 0.57 O ATOM 980 CB ASN A 61 10.335 -7.031 -7.419 1.00 0.49 C ATOM 981 CG ASN A 61 10.634 -8.496 -7.671 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.748 -8.929 -8.819 1.00 0.80 O ATOM 983 ND2 ASN A 61 10.748 -9.281 -6.604 1.00 0.58 N ATOM 0 H ASN A 61 12.770 -6.479 -7.715 1.00 0.49 H new ATOM 0 HA ASN A 61 10.575 -6.484 -9.487 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.767 -6.741 -6.461 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.256 -6.899 -7.335 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.936 -10.277 -6.721 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.648 -8.888 -5.668 1.00 0.58 H new ATOM 990 N LEU A 62 10.740 -4.071 -7.240 1.00 0.44 N ATOM 991 CA LEU A 62 10.193 -2.800 -6.804 1.00 0.44 C ATOM 992 C LEU A 62 10.817 -1.667 -7.590 1.00 0.49 C ATOM 993 O LEU A 62 10.123 -0.905 -8.256 1.00 0.55 O ATOM 994 CB LEU A 62 10.495 -2.616 -5.322 1.00 0.38 C ATOM 995 CG LEU A 62 10.393 -3.891 -4.493 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.749 -3.618 -3.041 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.007 -4.505 -4.625 1.00 0.35 C ATOM 0 H LEU A 62 11.506 -4.415 -6.661 1.00 0.44 H new ATOM 0 HA LEU A 62 9.116 -2.793 -6.971 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.501 -2.209 -5.217 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.807 -1.876 -4.913 1.00 0.38 H new ATOM 0 HG LEU A 62 11.113 -4.614 -4.876 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.670 -4.541 -2.467 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.770 -3.240 -2.981 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.063 -2.876 -2.632 1.00 0.31 H new ATOM 0 HD21 LEU A 62 8.953 -5.414 -4.026 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.259 -3.794 -4.273 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.814 -4.747 -5.670 1.00 0.35 H new ATOM 1009 N ASP A 63 12.141 -1.608 -7.496 1.00 0.48 N ATOM 1010 CA ASP A 63 12.983 -0.598 -8.136 1.00 0.54 C ATOM 1011 C ASP A 63 12.663 -0.476 -9.626 1.00 0.57 C ATOM 1012 O ASP A 63 13.271 -1.127 -10.468 1.00 0.63 O ATOM 1013 CB ASP A 63 14.445 -1.010 -7.889 1.00 0.56 C ATOM 1014 CG ASP A 63 15.486 -0.228 -8.655 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.469 1.012 -8.608 1.00 1.34 O ATOM 1016 OD2 ASP A 63 16.362 -0.866 -9.275 1.00 1.24 O ATOM 0 H ASP A 63 12.678 -2.285 -6.954 1.00 0.48 H new ATOM 0 HA ASP A 63 12.798 0.389 -7.713 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.655 -0.913 -6.824 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.553 -2.065 -8.140 1.00 0.56 H new ATOM 1021 N SER A 64 11.670 0.345 -9.931 1.00 0.59 N ATOM 1022 CA SER A 64 11.212 0.541 -11.295 1.00 0.64 C ATOM 1023 C SER A 64 12.139 1.498 -12.020 1.00 0.66 C ATOM 1024 O SER A 64 12.287 1.441 -13.239 1.00 0.76 O ATOM 1025 CB SER A 64 9.781 1.078 -11.287 1.00 0.72 C ATOM 1026 OG SER A 64 8.946 0.281 -10.459 1.00 1.37 O ATOM 0 H SER A 64 11.160 0.894 -9.239 1.00 0.59 H new ATOM 0 HA SER A 64 11.223 -0.414 -11.821 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.777 2.108 -10.931 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.387 1.090 -12.303 1.00 0.72 H new ATOM 0 HG SER A 64 9.438 0.021 -9.652 1.00 1.37 H new ATOM 1032 N ASN A 65 12.773 2.371 -11.250 1.00 0.63 N ATOM 1033 CA ASN A 65 13.750 3.300 -11.791 1.00 0.72 C ATOM 1034 C ASN A 65 15.036 2.548 -12.141 1.00 0.69 C ATOM 1035 O ASN A 65 15.877 3.030 -12.902 1.00 0.77 O ATOM 1036 CB ASN A 65 14.035 4.422 -10.787 1.00 0.79 C ATOM 1037 CG ASN A 65 14.911 3.945 -9.655 1.00 1.01 C ATOM 1038 OD1 ASN A 65 16.128 4.084 -9.704 1.00 1.65 O ATOM 1039 ND2 ASN A 65 14.305 3.389 -8.626 1.00 1.16 N ATOM 0 H ASN A 65 12.626 2.454 -10.244 1.00 0.63 H new ATOM 0 HA ASN A 65 13.348 3.753 -12.698 1.00 0.72 H new ATOM 0 HB2 ASN A 65 14.520 5.254 -11.298 1.00 0.79 H new ATOM 0 HB3 ASN A 65 13.094 4.800 -10.386 1.00 0.79 H new ATOM 0 HD21 ASN A 65 14.851 3.056 -7.832 1.00 1.16 H new ATOM 0 HD22 ASN A 65 13.290 3.292 -8.624 1.00 1.16 H new ATOM 1046 N ARG A 66 15.143 1.346 -11.559 1.00 0.60 N ATOM 1047 CA ARG A 66 16.226 0.396 -11.796 1.00 0.60 C ATOM 1048 C ARG A 66 17.605 1.004 -11.645 1.00 0.61 C ATOM 1049 O ARG A 66 18.504 0.730 -12.438 1.00 0.69 O ATOM 1050 CB ARG A 66 16.092 -0.269 -13.152 1.00 0.67 C ATOM 1051 CG ARG A 66 14.935 -1.248 -13.240 1.00 0.71 C ATOM 1052 CD ARG A 66 15.116 -2.481 -12.344 1.00 0.71 C ATOM 1053 NE ARG A 66 14.423 -3.632 -12.919 1.00 0.78 N ATOM 1054 CZ ARG A 66 13.100 -3.725 -13.032 1.00 1.20 C ATOM 1055 NH1 ARG A 66 12.311 -2.813 -12.477 1.00 2.24 N ATOM 1056 NH2 ARG A 66 12.565 -4.754 -13.673 1.00 1.15 N ATOM 0 H ARG A 66 14.454 1.002 -10.890 1.00 0.60 H new ATOM 0 HA ARG A 66 16.127 -0.360 -11.017 1.00 0.60 H new ATOM 0 HB2 ARG A 66 15.964 0.501 -13.913 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.019 -0.794 -13.383 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.013 -0.737 -12.962 1.00 0.71 H new ATOM 0 HG3 ARG A 66 14.820 -1.572 -14.274 1.00 0.71 H new ATOM 0 HD2 ARG A 66 16.177 -2.705 -12.232 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.727 -2.275 -11.347 1.00 0.71 H new ATOM 0 HE ARG A 66 14.988 -4.412 -13.254 1.00 0.78 H new ATOM 0 HH11 ARG A 66 12.718 -2.034 -11.959 1.00 2.24 H new ATOM 0 HH12 ARG A 66 11.298 -2.891 -12.568 1.00 2.24 H new ATOM 0 HH21 ARG A 66 13.167 -5.471 -14.078 1.00 1.15 H new ATOM 0 HH22 ARG A 66 11.552 -4.829 -13.762 1.00 1.15 H new ATOM 1070 N ASP A 67 17.779 1.803 -10.614 1.00 0.58 N ATOM 1071 CA ASP A 67 19.103 2.304 -10.271 1.00 0.62 C ATOM 1072 C ASP A 67 19.589 1.507 -9.082 1.00 0.56 C ATOM 1073 O ASP A 67 20.638 1.781 -8.501 1.00 0.57 O ATOM 1074 CB ASP A 67 19.087 3.800 -9.949 1.00 0.70 C ATOM 1075 CG ASP A 67 20.418 4.471 -10.247 1.00 1.07 C ATOM 1076 OD1 ASP A 67 21.331 4.426 -9.395 1.00 1.72 O ATOM 1077 OD2 ASP A 67 20.556 5.050 -11.346 1.00 1.64 O ATOM 0 H ASP A 67 17.029 2.121 -9.999 1.00 0.58 H new ATOM 0 HA ASP A 67 19.772 2.185 -11.123 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.301 4.285 -10.528 1.00 0.70 H new ATOM 0 HB3 ASP A 67 18.840 3.940 -8.897 1.00 0.70 H new ATOM 1082 N ASN A 68 18.777 0.510 -8.735 1.00 0.53 N ATOM 1083 CA ASN A 68 19.057 -0.420 -7.655 1.00 0.51 C ATOM 1084 C ASN A 68 18.930 0.267 -6.316 1.00 0.47 C ATOM 1085 O ASN A 68 19.628 -0.047 -5.350 1.00 0.48 O ATOM 1086 CB ASN A 68 20.416 -1.091 -7.847 1.00 0.58 C ATOM 1087 CG ASN A 68 20.434 -1.926 -9.114 1.00 0.73 C ATOM 1088 OD1 ASN A 68 21.492 -2.196 -9.683 1.00 1.08 O ATOM 1089 ND2 ASN A 68 19.249 -2.308 -9.588 1.00 0.66 N ATOM 0 H ASN A 68 17.892 0.327 -9.208 1.00 0.53 H new ATOM 0 HA ASN A 68 18.313 -1.216 -7.676 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.197 -0.332 -7.896 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.639 -1.723 -6.987 1.00 0.58 H new ATOM 0 HD21 ASN A 68 19.195 -2.845 -10.453 1.00 0.66 H new ATOM 0 HD22 ASN A 68 18.396 -2.063 -9.085 1.00 0.66 H new ATOM 1096 N GLU A 69 18.007 1.213 -6.287 1.00 0.46 N ATOM 1097 CA GLU A 69 17.619 1.896 -5.073 1.00 0.42 C ATOM 1098 C GLU A 69 16.112 2.071 -5.090 1.00 0.41 C ATOM 1099 O GLU A 69 15.563 2.747 -5.961 1.00 0.44 O ATOM 1100 CB GLU A 69 18.300 3.258 -4.963 1.00 0.46 C ATOM 1101 CG GLU A 69 19.802 3.203 -5.168 1.00 0.50 C ATOM 1102 CD GLU A 69 20.452 4.567 -5.195 1.00 0.65 C ATOM 1103 OE1 GLU A 69 19.912 5.481 -5.853 1.00 1.31 O ATOM 1104 OE2 GLU A 69 21.518 4.731 -4.564 1.00 1.29 O ATOM 0 H GLU A 69 17.503 1.529 -7.116 1.00 0.46 H new ATOM 0 HA GLU A 69 17.928 1.304 -4.211 1.00 0.42 H new ATOM 0 HB2 GLU A 69 17.865 3.933 -5.700 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.091 3.681 -3.981 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.249 2.611 -4.370 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.015 2.688 -6.105 1.00 0.50 H new ATOM 1111 N VAL A 70 15.452 1.457 -4.135 1.00 0.37 N ATOM 1112 CA VAL A 70 14.000 1.477 -4.082 1.00 0.36 C ATOM 1113 C VAL A 70 13.494 2.787 -3.512 1.00 0.35 C ATOM 1114 O VAL A 70 13.781 3.141 -2.379 1.00 0.36 O ATOM 1115 CB VAL A 70 13.434 0.312 -3.258 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.985 0.582 -2.891 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.554 -0.984 -4.038 1.00 0.37 C ATOM 0 H VAL A 70 15.895 0.934 -3.380 1.00 0.37 H new ATOM 0 HA VAL A 70 13.652 1.370 -5.109 1.00 0.36 H new ATOM 0 HB VAL A 70 14.010 0.218 -2.337 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.596 -0.252 -2.307 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.923 1.497 -2.302 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.394 0.695 -3.800 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.150 -1.804 -3.445 1.00 0.37 H new ATOM 0 HG22 VAL A 70 12.995 -0.901 -4.970 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.603 -1.179 -4.260 1.00 0.37 H new ATOM 1127 N ASP A 71 12.720 3.479 -4.309 1.00 0.38 N ATOM 1128 CA ASP A 71 12.260 4.811 -3.975 1.00 0.39 C ATOM 1129 C ASP A 71 11.026 4.778 -3.084 1.00 0.37 C ATOM 1130 O ASP A 71 10.400 3.729 -2.939 1.00 0.35 O ATOM 1131 CB ASP A 71 11.956 5.535 -5.272 1.00 0.45 C ATOM 1132 CG ASP A 71 11.535 6.972 -5.079 1.00 0.77 C ATOM 1133 OD1 ASP A 71 10.321 7.235 -4.900 1.00 1.43 O ATOM 1134 OD2 ASP A 71 12.423 7.839 -5.109 1.00 1.35 O ATOM 0 H ASP A 71 12.388 3.137 -5.211 1.00 0.38 H new ATOM 0 HA ASP A 71 13.037 5.331 -3.414 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.840 5.507 -5.910 1.00 0.45 H new ATOM 0 HB3 ASP A 71 11.165 5.001 -5.799 1.00 0.45 H new ATOM 1139 N PHE A 72 10.703 5.923 -2.478 1.00 0.41 N ATOM 1140 CA PHE A 72 9.479 6.090 -1.694 1.00 0.44 C ATOM 1141 C PHE A 72 8.304 5.417 -2.387 1.00 0.40 C ATOM 1142 O PHE A 72 7.594 4.598 -1.794 1.00 0.42 O ATOM 1143 CB PHE A 72 9.150 7.576 -1.548 1.00 0.54 C ATOM 1144 CG PHE A 72 9.670 8.254 -0.310 1.00 0.94 C ATOM 1145 CD1 PHE A 72 8.929 8.241 0.861 1.00 1.69 C ATOM 1146 CD2 PHE A 72 10.873 8.941 -0.328 1.00 1.70 C ATOM 1147 CE1 PHE A 72 9.379 8.899 1.989 1.00 2.18 C ATOM 1148 CE2 PHE A 72 11.329 9.595 0.800 1.00 2.17 C ATOM 1149 CZ PHE A 72 10.579 9.577 1.957 1.00 2.15 C ATOM 0 H PHE A 72 11.284 6.761 -2.518 1.00 0.41 H new ATOM 0 HA PHE A 72 9.644 5.637 -0.716 1.00 0.44 H new ATOM 0 HB2 PHE A 72 9.545 8.101 -2.418 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.066 7.691 -1.572 1.00 0.54 H new ATOM 0 HD1 PHE A 72 7.989 7.710 0.892 1.00 1.69 H new ATOM 0 HD2 PHE A 72 11.461 8.965 -1.234 1.00 1.70 H new ATOM 0 HE1 PHE A 72 8.791 8.882 2.895 1.00 2.18 H new ATOM 0 HE2 PHE A 72 12.272 10.120 0.776 1.00 2.17 H new ATOM 0 HZ PHE A 72 10.931 10.094 2.837 1.00 2.15 H new ATOM 1159 N GLN A 73 8.119 5.773 -3.652 1.00 0.38 N ATOM 1160 CA GLN A 73 7.024 5.248 -4.443 1.00 0.37 C ATOM 1161 C GLN A 73 7.120 3.737 -4.571 1.00 0.36 C ATOM 1162 O GLN A 73 6.192 3.033 -4.198 1.00 0.37 O ATOM 1163 CB GLN A 73 7.011 5.889 -5.826 1.00 0.41 C ATOM 1164 CG GLN A 73 5.708 5.678 -6.578 1.00 0.50 C ATOM 1165 CD GLN A 73 5.814 4.688 -7.730 1.00 0.42 C ATOM 1166 OE1 GLN A 73 5.139 4.846 -8.746 1.00 0.63 O ATOM 1167 NE2 GLN A 73 6.625 3.648 -7.581 1.00 0.41 N ATOM 0 H GLN A 73 8.721 6.428 -4.151 1.00 0.38 H new ATOM 0 HA GLN A 73 6.093 5.491 -3.931 1.00 0.37 H new ATOM 0 HB2 GLN A 73 7.194 6.959 -5.724 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.832 5.480 -6.415 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.949 5.327 -5.879 1.00 0.50 H new ATOM 0 HG3 GLN A 73 5.365 6.637 -6.966 1.00 0.50 H new ATOM 0 HE21 GLN A 73 7.172 3.546 -6.726 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.702 2.951 -8.322 1.00 0.41 H new ATOM 1176 N GLU A 74 8.236 3.243 -5.106 1.00 0.37 N ATOM 1177 CA GLU A 74 8.432 1.808 -5.288 1.00 0.40 C ATOM 1178 C GLU A 74 8.268 1.049 -3.979 1.00 0.38 C ATOM 1179 O GLU A 74 7.797 -0.084 -3.966 1.00 0.41 O ATOM 1180 CB GLU A 74 9.808 1.518 -5.882 1.00 0.45 C ATOM 1181 CG GLU A 74 9.928 1.896 -7.345 1.00 0.59 C ATOM 1182 CD GLU A 74 10.480 3.282 -7.568 1.00 1.40 C ATOM 1183 OE1 GLU A 74 9.830 4.254 -7.140 1.00 2.18 O ATOM 1184 OE2 GLU A 74 11.568 3.396 -8.180 1.00 2.04 O ATOM 0 H GLU A 74 9.018 3.817 -5.421 1.00 0.37 H new ATOM 0 HA GLU A 74 7.664 1.465 -5.982 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.562 2.060 -5.312 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.026 0.456 -5.770 1.00 0.45 H new ATOM 0 HG2 GLU A 74 10.571 1.173 -7.847 1.00 0.59 H new ATOM 0 HG3 GLU A 74 8.945 1.826 -7.811 1.00 0.59 H new ATOM 1191 N TYR A 75 8.651 1.685 -2.887 1.00 0.34 N ATOM 1192 CA TYR A 75 8.524 1.094 -1.572 1.00 0.37 C ATOM 1193 C TYR A 75 7.051 0.983 -1.184 1.00 0.34 C ATOM 1194 O TYR A 75 6.605 -0.042 -0.670 1.00 0.34 O ATOM 1195 CB TYR A 75 9.284 1.939 -0.548 1.00 0.43 C ATOM 1196 CG TYR A 75 9.029 1.519 0.881 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.476 0.293 1.348 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.336 2.344 1.757 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.243 -0.100 2.649 1.00 1.86 C ATOM 1200 CE2 TYR A 75 8.101 1.958 3.062 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.556 0.736 3.503 1.00 1.84 C ATOM 1202 OH TYR A 75 8.324 0.347 4.803 1.00 2.33 O ATOM 0 H TYR A 75 9.057 2.621 -2.888 1.00 0.34 H new ATOM 0 HA TYR A 75 8.953 0.092 -1.589 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.352 1.873 -0.754 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.001 2.985 -0.668 1.00 0.43 H new ATOM 0 HD1 TYR A 75 10.015 -0.365 0.682 1.00 1.50 H new ATOM 0 HD2 TYR A 75 7.975 3.302 1.413 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.597 -1.059 2.997 1.00 1.86 H new ATOM 0 HE2 TYR A 75 7.563 2.611 3.733 1.00 2.09 H new ATOM 0 HH TYR A 75 7.828 1.051 5.272 1.00 2.33 H new ATOM 1212 N SER A 76 6.300 2.043 -1.449 1.00 0.35 N ATOM 1213 CA SER A 76 4.871 2.058 -1.171 1.00 0.37 C ATOM 1214 C SER A 76 4.136 1.078 -2.084 1.00 0.36 C ATOM 1215 O SER A 76 3.204 0.396 -1.659 1.00 0.41 O ATOM 1216 CB SER A 76 4.321 3.471 -1.354 1.00 0.41 C ATOM 1217 OG SER A 76 5.005 4.393 -0.523 1.00 1.21 O ATOM 0 H SER A 76 6.658 2.906 -1.857 1.00 0.35 H new ATOM 0 HA SER A 76 4.711 1.747 -0.139 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.421 3.772 -2.397 1.00 0.41 H new ATOM 0 HB3 SER A 76 3.257 3.484 -1.119 1.00 0.41 H new ATOM 0 HG SER A 76 5.911 4.536 -0.869 1.00 1.21 H new ATOM 1223 N VAL A 77 4.585 1.006 -3.335 1.00 0.35 N ATOM 1224 CA VAL A 77 4.026 0.086 -4.318 1.00 0.36 C ATOM 1225 C VAL A 77 4.312 -1.343 -3.890 1.00 0.33 C ATOM 1226 O VAL A 77 3.517 -2.255 -4.097 1.00 0.33 O ATOM 1227 CB VAL A 77 4.626 0.319 -5.724 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.194 -0.770 -6.694 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.229 1.683 -6.254 1.00 0.44 C ATOM 0 H VAL A 77 5.345 1.584 -3.694 1.00 0.35 H new ATOM 0 HA VAL A 77 2.952 0.264 -4.370 1.00 0.36 H new ATOM 0 HB VAL A 77 5.712 0.281 -5.633 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.632 -0.579 -7.674 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.533 -1.739 -6.328 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.107 -0.774 -6.776 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.661 1.828 -7.244 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.143 1.746 -6.319 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.598 2.457 -5.580 1.00 0.44 H new ATOM 1239 N PHE A 78 5.475 -1.508 -3.294 1.00 0.32 N ATOM 1240 CA PHE A 78 5.909 -2.780 -2.765 1.00 0.29 C ATOM 1241 C PHE A 78 4.970 -3.267 -1.673 1.00 0.27 C ATOM 1242 O PHE A 78 4.454 -4.383 -1.733 1.00 0.28 O ATOM 1243 CB PHE A 78 7.317 -2.624 -2.207 1.00 0.27 C ATOM 1244 CG PHE A 78 7.791 -3.805 -1.414 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.529 -5.100 -1.833 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.501 -3.614 -0.247 1.00 1.18 C ATOM 1247 CE1 PHE A 78 7.965 -6.178 -1.098 1.00 1.24 C ATOM 1248 CE2 PHE A 78 8.940 -4.687 0.490 1.00 1.19 C ATOM 1249 CZ PHE A 78 8.672 -5.972 0.066 1.00 0.37 C ATOM 0 H PHE A 78 6.150 -0.755 -3.163 1.00 0.32 H new ATOM 0 HA PHE A 78 5.902 -3.519 -3.566 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.007 -2.453 -3.033 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.350 -1.737 -1.574 1.00 0.27 H new ATOM 0 HD1 PHE A 78 6.977 -5.264 -2.746 1.00 1.22 H new ATOM 0 HD2 PHE A 78 8.714 -2.611 0.091 1.00 1.18 H new ATOM 0 HE1 PHE A 78 7.754 -7.183 -1.433 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.495 -4.524 1.402 1.00 1.19 H new ATOM 0 HZ PHE A 78 9.016 -6.816 0.646 1.00 0.37 H new ATOM 1259 N LEU A 79 4.751 -2.425 -0.679 1.00 0.27 N ATOM 1260 CA LEU A 79 3.950 -2.808 0.473 1.00 0.26 C ATOM 1261 C LEU A 79 2.515 -3.126 0.068 1.00 0.31 C ATOM 1262 O LEU A 79 1.890 -4.031 0.626 1.00 0.33 O ATOM 1263 CB LEU A 79 3.997 -1.713 1.532 1.00 0.29 C ATOM 1264 CG LEU A 79 5.410 -1.333 1.981 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.360 -0.385 3.155 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.218 -2.571 2.331 1.00 0.30 C ATOM 0 H LEU A 79 5.115 -1.473 -0.645 1.00 0.27 H new ATOM 0 HA LEU A 79 4.373 -3.717 0.900 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.501 -0.824 1.142 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.427 -2.040 2.402 1.00 0.29 H new ATOM 0 HG LEU A 79 5.903 -0.827 1.151 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.375 -0.128 3.458 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.826 0.521 2.869 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.843 -0.863 3.987 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.218 -2.275 2.647 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.726 -3.110 3.141 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.290 -3.218 1.456 1.00 0.30 H new ATOM 1278 N SER A 80 1.999 -2.407 -0.918 1.00 0.36 N ATOM 1279 CA SER A 80 0.688 -2.722 -1.457 1.00 0.47 C ATOM 1280 C SER A 80 0.746 -3.982 -2.291 1.00 0.37 C ATOM 1281 O SER A 80 -0.187 -4.763 -2.278 1.00 0.38 O ATOM 1282 CB SER A 80 0.144 -1.581 -2.295 1.00 0.66 C ATOM 1283 OG SER A 80 1.138 -1.073 -3.163 1.00 0.84 O ATOM 0 H SER A 80 2.463 -1.611 -1.356 1.00 0.36 H new ATOM 0 HA SER A 80 0.017 -2.879 -0.613 1.00 0.47 H new ATOM 0 HB2 SER A 80 -0.710 -1.927 -2.877 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.216 -0.785 -1.643 1.00 0.66 H new ATOM 0 HG SER A 80 1.808 -1.767 -3.334 1.00 0.84 H new ATOM 1289 N SER A 81 1.839 -4.175 -3.018 1.00 0.33 N ATOM 1290 CA SER A 81 2.037 -5.397 -3.780 1.00 0.30 C ATOM 1291 C SER A 81 1.901 -6.597 -2.854 1.00 0.24 C ATOM 1292 O SER A 81 1.327 -7.616 -3.226 1.00 0.26 O ATOM 1293 CB SER A 81 3.410 -5.394 -4.464 1.00 0.37 C ATOM 1294 OG SER A 81 3.552 -6.498 -5.342 1.00 1.22 O ATOM 0 H SER A 81 2.600 -3.500 -3.095 1.00 0.33 H new ATOM 0 HA SER A 81 1.277 -5.458 -4.559 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.539 -4.466 -5.020 1.00 0.37 H new ATOM 0 HB3 SER A 81 4.195 -5.425 -3.708 1.00 0.37 H new ATOM 0 HG SER A 81 4.436 -6.469 -5.764 1.00 1.22 H new ATOM 1300 N ILE A 82 2.398 -6.442 -1.633 1.00 0.23 N ATOM 1301 CA ILE A 82 2.268 -7.463 -0.605 1.00 0.23 C ATOM 1302 C ILE A 82 0.805 -7.669 -0.226 1.00 0.27 C ATOM 1303 O ILE A 82 0.297 -8.788 -0.232 1.00 0.30 O ATOM 1304 CB ILE A 82 3.031 -7.078 0.673 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.501 -6.784 0.363 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.893 -8.190 1.704 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.276 -6.237 1.544 1.00 0.23 C ATOM 0 H ILE A 82 2.900 -5.608 -1.330 1.00 0.23 H new ATOM 0 HA ILE A 82 2.686 -8.379 -1.023 1.00 0.23 H new ATOM 0 HB ILE A 82 2.599 -6.166 1.085 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.980 -7.700 0.018 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.554 -6.068 -0.458 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.434 -7.916 2.609 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.839 -8.337 1.942 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.306 -9.114 1.300 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.309 -6.053 1.248 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.822 -5.303 1.876 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.255 -6.960 2.359 1.00 0.23 H new ATOM 1319 N ALA A 83 0.139 -6.581 0.119 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.245 -6.641 0.554 1.00 0.36 C ATOM 1321 C ALA A 83 -2.154 -7.165 -0.563 1.00 0.37 C ATOM 1322 O ALA A 83 -3.120 -7.883 -0.309 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.684 -5.270 1.048 1.00 0.40 C ATOM 0 H ALA A 83 0.536 -5.642 0.106 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.329 -7.346 1.381 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.723 -5.316 1.374 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -1.054 -4.966 1.884 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.589 -4.545 0.240 1.00 0.40 H new ATOM 1329 N MET A 84 -1.811 -6.836 -1.803 1.00 0.37 N ATOM 1330 CA MET A 84 -2.554 -7.314 -2.963 1.00 0.43 C ATOM 1331 C MET A 84 -2.285 -8.786 -3.192 1.00 0.34 C ATOM 1332 O MET A 84 -3.210 -9.575 -3.343 1.00 0.37 O ATOM 1333 CB MET A 84 -2.178 -6.547 -4.230 1.00 0.64 C ATOM 1334 CG MET A 84 -2.433 -5.059 -4.143 1.00 0.44 C ATOM 1335 SD MET A 84 -2.201 -4.216 -5.722 1.00 1.00 S ATOM 1336 CE MET A 84 -0.452 -4.468 -6.002 1.00 1.26 C ATOM 0 H MET A 84 -1.018 -6.236 -2.032 1.00 0.37 H new ATOM 0 HA MET A 84 -3.611 -7.152 -2.754 1.00 0.43 H new ATOM 0 HB2 MET A 84 -1.122 -6.713 -4.444 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.741 -6.954 -5.070 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.451 -4.889 -3.792 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.763 -4.623 -3.402 1.00 0.44 H new ATOM 0 HE1 MET A 84 -0.160 -3.985 -6.935 1.00 1.26 H new ATOM 0 HE2 MET A 84 0.114 -4.036 -5.177 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.244 -5.536 -6.065 1.00 1.26 H new ATOM 1346 N MET A 85 -1.011 -9.153 -3.216 1.00 0.34 N ATOM 1347 CA MET A 85 -0.630 -10.533 -3.468 1.00 0.35 C ATOM 1348 C MET A 85 -1.211 -11.448 -2.398 1.00 0.35 C ATOM 1349 O MET A 85 -1.617 -12.568 -2.691 1.00 0.42 O ATOM 1350 CB MET A 85 0.895 -10.678 -3.553 1.00 0.39 C ATOM 1351 CG MET A 85 1.598 -10.469 -2.236 1.00 1.36 C ATOM 1352 SD MET A 85 1.944 -12.008 -1.353 1.00 2.66 S ATOM 1353 CE MET A 85 3.058 -12.821 -2.499 1.00 3.35 C ATOM 0 H MET A 85 -0.228 -8.517 -3.065 1.00 0.34 H new ATOM 0 HA MET A 85 -1.042 -10.832 -4.432 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.136 -11.672 -3.930 1.00 0.39 H new ATOM 0 HB3 MET A 85 1.279 -9.960 -4.278 1.00 0.39 H new ATOM 0 HG2 MET A 85 2.536 -9.942 -2.413 1.00 1.36 H new ATOM 0 HG3 MET A 85 0.985 -9.826 -1.604 1.00 1.36 H new ATOM 0 HE1 MET A 85 3.727 -13.483 -1.949 1.00 3.35 H new ATOM 0 HE2 MET A 85 2.480 -13.404 -3.217 1.00 3.35 H new ATOM 0 HE3 MET A 85 3.645 -12.071 -3.029 1.00 3.35 H new ATOM 1363 N SER A 86 -1.286 -10.958 -1.164 1.00 0.33 N ATOM 1364 CA SER A 86 -1.857 -11.738 -0.081 1.00 0.39 C ATOM 1365 C SER A 86 -3.388 -11.762 -0.150 1.00 0.43 C ATOM 1366 O SER A 86 -4.016 -12.687 0.362 1.00 0.57 O ATOM 1367 CB SER A 86 -1.381 -11.205 1.273 1.00 0.43 C ATOM 1368 OG SER A 86 -1.611 -9.813 1.392 1.00 1.24 O ATOM 0 H SER A 86 -0.960 -10.030 -0.894 1.00 0.33 H new ATOM 0 HA SER A 86 -1.509 -12.765 -0.191 1.00 0.39 H new ATOM 0 HB2 SER A 86 -1.900 -11.730 2.075 1.00 0.43 H new ATOM 0 HB3 SER A 86 -0.317 -11.411 1.393 1.00 0.43 H new ATOM 0 HG SER A 86 -0.900 -9.323 0.929 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.996 -10.761 -0.788 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.452 -10.733 -0.906 1.00 0.51 C ATOM 1376 C ASN A 87 -5.918 -11.577 -2.096 1.00 0.44 C ATOM 1377 O ASN A 87 -6.918 -12.305 -2.011 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.993 -9.278 -0.945 1.00 0.69 C ATOM 1379 CG ASN A 87 -5.896 -8.520 -2.275 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -5.506 -7.358 -2.294 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -6.315 -9.121 -3.375 1.00 1.49 N ATOM 0 H ASN A 87 -3.514 -9.974 -1.223 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.878 -11.188 -0.012 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -7.041 -9.301 -0.647 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -5.460 -8.701 -0.190 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -6.318 -8.617 -4.262 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -6.635 -10.089 -3.337 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.197 -11.479 -3.205 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.466 -12.311 -4.366 1.00 0.43 C ATOM 1390 C GLU A 88 -5.182 -13.764 -4.017 1.00 0.52 C ATOM 1391 O GLU A 88 -5.874 -14.675 -4.465 1.00 0.66 O ATOM 1392 CB GLU A 88 -4.619 -11.865 -5.567 1.00 0.48 C ATOM 1393 CG GLU A 88 -4.810 -10.400 -5.938 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.055 -9.996 -7.191 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -2.812 -10.110 -7.208 1.00 1.73 O ATOM 1396 OE2 GLU A 88 -4.703 -9.556 -8.168 1.00 1.49 O ATOM 0 H GLU A 88 -4.420 -10.829 -3.323 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.514 -12.206 -4.646 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.567 -12.040 -5.344 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -4.870 -12.485 -6.428 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -5.872 -10.204 -6.083 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.482 -9.776 -5.107 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.174 -13.967 -3.182 1.00 0.50 N ATOM 1404 CA PHE A 89 -3.852 -15.294 -2.686 1.00 0.63 C ATOM 1405 C PHE A 89 -4.780 -15.666 -1.532 1.00 0.66 C ATOM 1406 O PHE A 89 -4.865 -16.831 -1.149 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.389 -15.357 -2.240 1.00 0.73 C ATOM 1408 CG PHE A 89 -1.930 -16.728 -1.835 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -1.808 -17.737 -2.777 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -1.628 -17.010 -0.513 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -1.390 -19.002 -2.407 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -1.211 -18.272 -0.136 1.00 2.80 C ATOM 1413 CZ PHE A 89 -1.092 -19.269 -1.084 1.00 2.70 C ATOM 0 H PHE A 89 -3.564 -13.227 -2.834 1.00 0.50 H new ATOM 0 HA PHE A 89 -3.996 -16.013 -3.493 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -1.757 -14.999 -3.053 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.246 -14.675 -1.402 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.042 -17.533 -3.811 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -1.720 -16.234 0.232 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -1.297 -19.780 -3.150 1.00 2.38 H new ATOM 0 HE2 PHE A 89 -0.979 -18.478 0.898 1.00 2.80 H new ATOM 0 HZ PHE A 89 -0.766 -20.256 -0.792 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.486 -14.679 -0.984 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.485 -14.958 0.043 1.00 0.68 C ATOM 1425 C PHE A 90 -7.594 -15.802 -0.567 1.00 0.68 C ATOM 1426 O PHE A 90 -8.108 -16.725 0.061 1.00 0.80 O ATOM 1427 CB PHE A 90 -7.049 -13.661 0.636 1.00 0.69 C ATOM 1428 CG PHE A 90 -8.062 -13.874 1.726 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -7.665 -14.303 2.981 1.00 1.53 C ATOM 1430 CD2 PHE A 90 -9.409 -13.640 1.496 1.00 1.46 C ATOM 1431 CE1 PHE A 90 -8.591 -14.497 3.988 1.00 1.64 C ATOM 1432 CE2 PHE A 90 -10.340 -13.833 2.499 1.00 1.59 C ATOM 1433 CZ PHE A 90 -9.931 -14.262 3.746 1.00 1.21 C ATOM 0 H PHE A 90 -5.387 -13.694 -1.229 1.00 0.60 H new ATOM 0 HA PHE A 90 -6.016 -15.506 0.860 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -6.225 -13.067 1.031 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.508 -13.078 -0.163 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -6.619 -14.488 3.175 1.00 1.53 H new ATOM 0 HD2 PHE A 90 -9.734 -13.303 0.523 1.00 1.46 H new ATOM 0 HE1 PHE A 90 -8.268 -14.832 4.963 1.00 1.64 H new ATOM 0 HE2 PHE A 90 -11.387 -13.648 2.308 1.00 1.59 H new ATOM 0 HZ PHE A 90 -10.657 -14.414 4.531 1.00 1.21 H new ATOM 1443 N GLU A 91 -7.939 -15.487 -1.811 1.00 0.61 N ATOM 1444 CA GLU A 91 -8.858 -16.328 -2.576 1.00 0.72 C ATOM 1445 C GLU A 91 -8.154 -17.603 -3.003 1.00 0.77 C ATOM 1446 O GLU A 91 -8.755 -18.673 -3.092 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.345 -15.613 -3.833 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.994 -14.279 -3.567 1.00 0.92 C ATOM 1449 CD GLU A 91 -11.118 -14.376 -2.565 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -12.170 -14.956 -2.894 1.00 2.23 O ATOM 1451 OE2 GLU A 91 -10.945 -13.870 -1.443 1.00 2.25 O ATOM 0 H GLU A 91 -7.601 -14.664 -2.309 1.00 0.61 H new ATOM 0 HA GLU A 91 -9.710 -16.553 -1.935 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -8.500 -15.467 -4.506 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.057 -16.255 -4.351 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -9.243 -13.579 -3.200 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -10.379 -13.872 -4.502 1.00 0.92 H new ATOM 1458 N GLY A 92 -6.867 -17.462 -3.260 1.00 0.71 N ATOM 1459 CA GLY A 92 -6.094 -18.515 -3.866 1.00 0.82 C ATOM 1460 C GLY A 92 -5.745 -18.139 -5.284 1.00 0.81 C ATOM 1461 O GLY A 92 -4.670 -18.462 -5.788 1.00 0.92 O ATOM 0 H GLY A 92 -6.336 -16.616 -3.053 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -5.184 -18.688 -3.291 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -6.660 -19.447 -3.855 1.00 0.82 H new ATOM 1465 N PHE A 93 -6.668 -17.422 -5.911 1.00 0.76 N ATOM 1466 CA PHE A 93 -6.494 -16.906 -7.256 1.00 0.78 C ATOM 1467 C PHE A 93 -7.160 -15.544 -7.341 1.00 0.69 C ATOM 1468 O PHE A 93 -8.219 -15.338 -6.750 1.00 0.82 O ATOM 1469 CB PHE A 93 -7.115 -17.853 -8.292 1.00 1.00 C ATOM 1470 CG PHE A 93 -6.507 -19.225 -8.301 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -5.283 -19.450 -8.907 1.00 2.41 C ATOM 1472 CD2 PHE A 93 -7.155 -20.288 -7.694 1.00 2.59 C ATOM 1473 CE1 PHE A 93 -4.717 -20.707 -8.910 1.00 3.46 C ATOM 1474 CE2 PHE A 93 -6.593 -21.549 -7.692 1.00 3.60 C ATOM 1475 CZ PHE A 93 -5.373 -21.759 -8.302 1.00 3.91 C ATOM 0 H PHE A 93 -7.567 -17.182 -5.493 1.00 0.76 H new ATOM 0 HA PHE A 93 -5.429 -16.822 -7.473 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -8.184 -17.941 -8.095 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -7.008 -17.412 -9.283 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -4.765 -18.631 -9.383 1.00 2.41 H new ATOM 0 HD2 PHE A 93 -8.111 -20.129 -7.217 1.00 2.59 H new ATOM 0 HE1 PHE A 93 -3.762 -20.869 -9.387 1.00 3.46 H new ATOM 0 HE2 PHE A 93 -7.107 -22.370 -7.214 1.00 3.60 H new ATOM 0 HZ PHE A 93 -4.932 -22.745 -8.304 1.00 3.91 H new ATOM 1485 N PRO A 94 -6.534 -14.581 -8.030 1.00 0.64 N ATOM 1486 CA PRO A 94 -7.113 -13.249 -8.217 1.00 0.61 C ATOM 1487 C PRO A 94 -8.433 -13.297 -8.988 1.00 0.71 C ATOM 1488 O PRO A 94 -8.450 -13.195 -10.215 1.00 0.90 O ATOM 1489 CB PRO A 94 -6.048 -12.492 -9.019 1.00 0.65 C ATOM 1490 CG PRO A 94 -5.150 -13.531 -9.594 1.00 0.84 C ATOM 1491 CD PRO A 94 -5.210 -14.708 -8.662 1.00 0.83 C ATOM 0 HA PRO A 94 -7.353 -12.776 -7.265 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -6.505 -11.893 -9.806 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -5.492 -11.807 -8.379 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -5.474 -13.812 -10.596 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -4.130 -13.157 -9.682 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -5.111 -15.651 -9.200 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -4.409 -14.676 -7.924 1.00 0.83 H new ATOM 1499 N ASP A 95 -9.542 -13.435 -8.263 1.00 0.71 N ATOM 1500 CA ASP A 95 -10.839 -13.621 -8.903 1.00 0.88 C ATOM 1501 C ASP A 95 -11.787 -12.482 -8.582 1.00 0.84 C ATOM 1502 O ASP A 95 -12.660 -12.138 -9.378 1.00 0.96 O ATOM 1503 CB ASP A 95 -11.455 -14.956 -8.482 1.00 1.12 C ATOM 1504 CG ASP A 95 -12.742 -15.257 -9.220 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -12.677 -15.586 -10.422 1.00 2.16 O ATOM 1506 OD2 ASP A 95 -13.822 -15.185 -8.598 1.00 2.40 O ATOM 0 H ASP A 95 -9.567 -13.422 -7.243 1.00 0.71 H new ATOM 0 HA ASP A 95 -10.678 -13.628 -9.981 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -10.739 -15.757 -8.665 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -11.649 -14.941 -7.410 1.00 1.12 H new ATOM 1511 N LYS A 96 -11.598 -11.883 -7.422 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.404 -10.747 -7.013 1.00 0.86 C ATOM 1513 C LYS A 96 -11.860 -9.494 -7.669 1.00 0.84 C ATOM 1514 O LYS A 96 -12.588 -8.549 -7.948 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.391 -10.597 -5.487 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.087 -11.048 -4.847 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.628 -10.111 -3.733 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.475 -10.716 -2.950 1.00 0.84 C ATOM 1519 NZ LYS A 96 -9.943 -11.518 -1.788 1.00 1.86 N ATOM 0 H LYS A 96 -10.891 -12.165 -6.743 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.436 -10.906 -7.327 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -12.571 -9.553 -5.230 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.213 -11.175 -5.065 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -11.212 -12.053 -4.444 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.312 -11.106 -5.611 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.320 -9.156 -4.160 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.461 -9.906 -3.060 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -8.882 -11.349 -3.611 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -8.819 -9.919 -2.599 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -9.158 -12.098 -1.428 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -10.275 -10.880 -1.037 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -10.723 -12.138 -2.086 1.00 1.86 H new ATOM 1533 N GLN A 97 -10.570 -9.539 -7.954 1.00 0.85 N ATOM 1534 CA GLN A 97 -9.843 -8.399 -8.495 1.00 1.00 C ATOM 1535 C GLN A 97 -10.434 -7.969 -9.835 1.00 1.03 C ATOM 1536 O GLN A 97 -11.192 -8.714 -10.447 1.00 1.07 O ATOM 1537 CB GLN A 97 -8.365 -8.753 -8.700 1.00 1.19 C ATOM 1538 CG GLN A 97 -7.875 -9.993 -7.959 1.00 1.19 C ATOM 1539 CD GLN A 97 -8.075 -9.954 -6.456 1.00 1.05 C ATOM 1540 OE1 GLN A 97 -8.172 -10.996 -5.810 1.00 1.71 O ATOM 1541 NE2 GLN A 97 -8.181 -8.767 -5.901 1.00 0.97 N ATOM 0 H GLN A 97 -9.994 -10.369 -7.817 1.00 0.85 H new ATOM 0 HA GLN A 97 -9.929 -7.581 -7.780 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -8.189 -8.896 -9.766 1.00 1.19 H new ATOM 0 HB3 GLN A 97 -7.759 -7.902 -8.388 1.00 1.19 H new ATOM 0 HG2 GLN A 97 -8.392 -10.866 -8.358 1.00 1.19 H new ATOM 0 HG3 GLN A 97 -6.814 -10.128 -8.167 1.00 1.19 H new ATOM 0 HE21 GLN A 97 -8.094 -7.927 -6.473 1.00 0.97 H new ATOM 0 HE22 GLN A 97 -8.350 -8.686 -4.898 1.00 0.97 H new ATOM 1550 N PRO A 98 -10.090 -6.763 -10.315 1.00 1.26 N ATOM 1551 CA PRO A 98 -10.543 -6.278 -11.621 1.00 1.46 C ATOM 1552 C PRO A 98 -9.882 -7.030 -12.775 1.00 1.51 C ATOM 1553 O PRO A 98 -10.315 -6.920 -13.922 1.00 1.97 O ATOM 1554 CB PRO A 98 -10.111 -4.810 -11.632 1.00 1.83 C ATOM 1555 CG PRO A 98 -8.979 -4.734 -10.669 1.00 1.83 C ATOM 1556 CD PRO A 98 -9.256 -5.768 -9.616 1.00 1.53 C ATOM 0 HA PRO A 98 -11.615 -6.420 -11.756 1.00 1.46 H new ATOM 0 HB2 PRO A 98 -9.802 -4.497 -12.629 1.00 1.83 H new ATOM 0 HB3 PRO A 98 -10.929 -4.156 -11.332 1.00 1.83 H new ATOM 0 HG2 PRO A 98 -8.030 -4.930 -11.167 1.00 1.83 H new ATOM 0 HG3 PRO A 98 -8.908 -3.739 -10.229 1.00 1.83 H new ATOM 0 HD2 PRO A 98 -8.335 -6.212 -9.238 1.00 1.53 H new ATOM 0 HD3 PRO A 98 -9.777 -5.339 -8.760 1.00 1.53 H new ATOM 1564 N ARG A 99 -8.831 -7.791 -12.444 1.00 1.37 N ATOM 1565 CA ARG A 99 -8.032 -8.550 -13.406 1.00 1.57 C ATOM 1566 C ARG A 99 -7.263 -7.638 -14.365 1.00 1.88 C ATOM 1567 O ARG A 99 -6.041 -7.737 -14.479 1.00 2.42 O ATOM 1568 CB ARG A 99 -8.908 -9.533 -14.172 1.00 2.01 C ATOM 1569 CG ARG A 99 -9.327 -10.752 -13.362 1.00 1.97 C ATOM 1570 CD ARG A 99 -10.661 -10.534 -12.663 1.00 2.58 C ATOM 1571 NE ARG A 99 -11.754 -10.326 -13.614 1.00 3.49 N ATOM 1572 CZ ARG A 99 -12.956 -9.842 -13.291 1.00 4.43 C ATOM 1573 NH1 ARG A 99 -13.217 -9.457 -12.048 1.00 4.69 N ATOM 1574 NH2 ARG A 99 -13.894 -9.722 -14.221 1.00 5.41 N ATOM 0 H ARG A 99 -8.509 -7.896 -11.482 1.00 1.37 H new ATOM 0 HA ARG A 99 -7.290 -9.113 -12.840 1.00 1.57 H new ATOM 0 HB2 ARG A 99 -9.802 -9.014 -14.517 1.00 2.01 H new ATOM 0 HB3 ARG A 99 -8.371 -9.867 -15.060 1.00 2.01 H new ATOM 0 HG2 ARG A 99 -9.398 -11.618 -14.020 1.00 1.97 H new ATOM 0 HG3 ARG A 99 -8.560 -10.977 -12.620 1.00 1.97 H new ATOM 0 HD2 ARG A 99 -10.886 -11.397 -12.036 1.00 2.58 H new ATOM 0 HD3 ARG A 99 -10.587 -9.670 -12.002 1.00 2.58 H new ATOM 0 HE ARG A 99 -11.586 -10.567 -14.591 1.00 3.49 H new ATOM 0 HH11 ARG A 99 -12.496 -9.529 -11.330 1.00 4.69 H new ATOM 0 HH12 ARG A 99 -14.138 -9.089 -11.811 1.00 4.69 H new ATOM 0 HH21 ARG A 99 -13.697 -9.999 -15.183 1.00 5.41 H new ATOM 0 HH22 ARG A 99 -14.812 -9.352 -13.975 1.00 5.41 H new ATOM 1588 N LYS A 100 -7.982 -6.755 -15.047 1.00 2.17 N ATOM 1589 CA LYS A 100 -7.374 -5.766 -15.930 1.00 2.96 C ATOM 1590 C LYS A 100 -6.447 -4.859 -15.132 1.00 3.80 C ATOM 1591 O LYS A 100 -5.358 -4.503 -15.588 1.00 4.60 O ATOM 1592 CB LYS A 100 -8.464 -4.920 -16.586 1.00 3.58 C ATOM 1593 CG LYS A 100 -9.494 -5.729 -17.356 1.00 4.14 C ATOM 1594 CD LYS A 100 -10.792 -4.954 -17.517 1.00 5.01 C ATOM 1595 CE LYS A 100 -10.603 -3.672 -18.317 1.00 5.79 C ATOM 1596 NZ LYS A 100 -10.173 -3.941 -19.714 1.00 6.34 N ATOM 0 H LYS A 100 -9.000 -6.704 -15.004 1.00 2.17 H new ATOM 0 HA LYS A 100 -6.801 -6.284 -16.699 1.00 2.96 H new ATOM 0 HB2 LYS A 100 -8.974 -4.341 -15.816 1.00 3.58 H new ATOM 0 HB3 LYS A 100 -7.997 -4.206 -17.264 1.00 3.58 H new ATOM 0 HG2 LYS A 100 -9.097 -5.988 -18.338 1.00 4.14 H new ATOM 0 HG3 LYS A 100 -9.689 -6.666 -16.834 1.00 4.14 H new ATOM 0 HD2 LYS A 100 -11.530 -5.584 -18.013 1.00 5.01 H new ATOM 0 HD3 LYS A 100 -11.192 -4.710 -16.533 1.00 5.01 H new ATOM 0 HE2 LYS A 100 -11.538 -3.111 -18.328 1.00 5.79 H new ATOM 0 HE3 LYS A 100 -9.860 -3.044 -17.824 1.00 5.79 H new ATOM 0 HZ1 LYS A 100 -10.204 -3.058 -20.263 1.00 6.34 H new ATOM 0 HZ2 LYS A 100 -9.202 -4.314 -19.713 1.00 6.34 H new ATOM 0 HZ3 LYS A 100 -10.812 -4.639 -20.145 1.00 6.34 H new ATOM 1610 N LYS A 101 -6.906 -4.503 -13.932 1.00 3.82 N ATOM 1611 CA LYS A 101 -6.159 -3.651 -13.014 1.00 4.82 C ATOM 1612 C LYS A 101 -5.917 -2.276 -13.629 1.00 5.79 C ATOM 1613 O LYS A 101 -4.744 -1.855 -13.732 1.00 6.45 O ATOM 1614 CB LYS A 101 -4.826 -4.306 -12.629 1.00 5.01 C ATOM 1615 CG LYS A 101 -4.973 -5.613 -11.864 1.00 4.42 C ATOM 1616 CD LYS A 101 -3.626 -6.299 -11.687 1.00 5.04 C ATOM 1617 CE LYS A 101 -3.730 -7.551 -10.837 1.00 4.78 C ATOM 1618 NZ LYS A 101 -4.095 -7.249 -9.428 1.00 5.64 N ATOM 1619 OXT LYS A 101 -6.905 -1.631 -14.036 1.00 6.10 O ATOM 0 H LYS A 101 -7.812 -4.801 -13.570 1.00 3.82 H new ATOM 0 HA LYS A 101 -6.755 -3.524 -12.110 1.00 4.82 H new ATOM 0 HB2 LYS A 101 -4.249 -4.491 -13.535 1.00 5.01 H new ATOM 0 HB3 LYS A 101 -4.251 -3.606 -12.023 1.00 5.01 H new ATOM 0 HG2 LYS A 101 -5.417 -5.418 -10.888 1.00 4.42 H new ATOM 0 HG3 LYS A 101 -5.655 -6.275 -12.397 1.00 4.42 H new ATOM 0 HD2 LYS A 101 -3.220 -6.558 -12.665 1.00 5.04 H new ATOM 0 HD3 LYS A 101 -2.924 -5.605 -11.225 1.00 5.04 H new ATOM 0 HE2 LYS A 101 -4.476 -8.219 -11.268 1.00 4.78 H new ATOM 0 HE3 LYS A 101 -2.778 -8.081 -10.857 1.00 4.78 H new ATOM 0 HZ1 LYS A 101 -4.717 -7.998 -9.062 1.00 5.64 H new ATOM 0 HZ2 LYS A 101 -3.233 -7.202 -8.848 1.00 5.64 H new ATOM 0 HZ3 LYS A 101 -4.591 -6.336 -9.386 1.00 5.64 H new TER 1633 LYS A 101 ATOM 1634 N MET B 1 13.203 -0.881 13.033 1.00 3.81 N ATOM 1635 CA MET B 1 12.380 -2.104 13.043 1.00 3.21 C ATOM 1636 C MET B 1 10.892 -1.774 12.960 1.00 2.41 C ATOM 1637 O MET B 1 10.278 -1.373 13.948 1.00 2.60 O ATOM 1638 CB MET B 1 12.674 -2.952 14.290 1.00 3.84 C ATOM 1639 CG MET B 1 12.539 -2.202 15.608 1.00 4.40 C ATOM 1640 SD MET B 1 12.827 -3.255 17.044 1.00 5.09 S ATOM 1641 CE MET B 1 14.504 -3.806 16.737 1.00 5.69 C ATOM 0 H1 MET B 1 14.113 -1.071 13.498 1.00 3.81 H new ATOM 0 H2 MET B 1 13.372 -0.584 12.051 1.00 3.81 H new ATOM 0 H3 MET B 1 12.705 -0.123 13.543 1.00 3.81 H new ATOM 0 HA MET B 1 12.645 -2.685 12.160 1.00 3.21 H new ATOM 0 HB2 MET B 1 11.997 -3.806 14.301 1.00 3.84 H new ATOM 0 HB3 MET B 1 13.686 -3.349 14.214 1.00 3.84 H new ATOM 0 HG2 MET B 1 13.247 -1.373 15.623 1.00 4.40 H new ATOM 0 HG3 MET B 1 11.540 -1.770 15.674 1.00 4.40 H new ATOM 0 HE1 MET B 1 14.936 -4.190 17.661 1.00 5.69 H new ATOM 0 HE2 MET B 1 14.496 -4.595 15.985 1.00 5.69 H new ATOM 0 HE3 MET B 1 15.102 -2.969 16.378 1.00 5.69 H new ATOM 1653 N ALA B 2 10.317 -1.905 11.767 1.00 1.66 N ATOM 1654 CA ALA B 2 8.870 -1.913 11.637 1.00 0.98 C ATOM 1655 C ALA B 2 8.364 -3.253 12.121 1.00 0.81 C ATOM 1656 O ALA B 2 8.149 -4.183 11.347 1.00 0.91 O ATOM 1657 CB ALA B 2 8.371 -1.613 10.229 1.00 0.82 C ATOM 0 H ALA B 2 10.827 -2.006 10.889 1.00 1.66 H new ATOM 0 HA ALA B 2 8.474 -1.102 12.248 1.00 0.98 H new ATOM 0 HB1 ALA B 2 7.281 -1.638 10.216 1.00 0.82 H new ATOM 0 HB2 ALA B 2 8.715 -0.625 9.924 1.00 0.82 H new ATOM 0 HB3 ALA B 2 8.759 -2.361 9.538 1.00 0.82 H new ATOM 1663 N SER B 3 8.354 -3.337 13.435 1.00 0.80 N ATOM 1664 CA SER B 3 7.662 -4.336 14.241 1.00 0.78 C ATOM 1665 C SER B 3 6.223 -4.589 13.704 1.00 0.65 C ATOM 1666 O SER B 3 5.995 -4.431 12.512 1.00 0.83 O ATOM 1667 CB SER B 3 7.694 -3.811 15.681 1.00 0.97 C ATOM 1668 OG SER B 3 8.946 -3.200 15.958 1.00 1.18 O ATOM 0 H SER B 3 8.862 -2.667 14.012 1.00 0.80 H new ATOM 0 HA SER B 3 8.146 -5.312 14.194 1.00 0.78 H new ATOM 0 HB2 SER B 3 6.890 -3.091 15.830 1.00 0.97 H new ATOM 0 HB3 SER B 3 7.520 -4.631 16.378 1.00 0.97 H new ATOM 0 HG SER B 3 8.951 -2.868 16.880 1.00 1.18 H new ATOM 1674 N PRO B 4 5.257 -5.120 14.500 1.00 0.67 N ATOM 1675 CA PRO B 4 3.849 -5.238 14.088 1.00 0.62 C ATOM 1676 C PRO B 4 3.303 -4.171 13.104 1.00 0.47 C ATOM 1677 O PRO B 4 2.222 -4.371 12.579 1.00 0.50 O ATOM 1678 CB PRO B 4 3.127 -5.156 15.421 1.00 0.79 C ATOM 1679 CG PRO B 4 4.000 -5.947 16.327 1.00 0.97 C ATOM 1680 CD PRO B 4 5.417 -5.694 15.866 1.00 0.88 C ATOM 0 HA PRO B 4 3.706 -6.150 13.508 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.023 -4.125 15.760 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.123 -5.575 15.362 1.00 0.79 H new ATOM 0 HG2 PRO B 4 3.866 -5.640 17.364 1.00 0.97 H new ATOM 0 HG3 PRO B 4 3.756 -7.008 16.275 1.00 0.97 H new ATOM 0 HD2 PRO B 4 5.935 -5.003 16.531 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.000 -6.615 15.846 1.00 0.88 H new ATOM 1688 N LEU B 5 4.008 -3.053 12.853 1.00 0.36 N ATOM 1689 CA LEU B 5 3.499 -2.032 11.939 1.00 0.32 C ATOM 1690 C LEU B 5 3.434 -2.564 10.519 1.00 0.30 C ATOM 1691 O LEU B 5 2.449 -2.340 9.820 1.00 0.32 O ATOM 1692 CB LEU B 5 4.354 -0.767 11.977 1.00 0.32 C ATOM 1693 CG LEU B 5 3.962 0.335 10.979 1.00 0.30 C ATOM 1694 CD1 LEU B 5 4.011 1.687 11.664 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.888 0.340 9.767 1.00 0.27 C ATOM 0 H LEU B 5 4.916 -2.842 13.266 1.00 0.36 H new ATOM 0 HA LEU B 5 2.493 -1.775 12.271 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.310 -0.352 12.984 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.391 -1.046 11.792 1.00 0.32 H new ATOM 0 HG LEU B 5 2.949 0.133 10.632 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.733 2.465 10.953 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.315 1.695 12.503 1.00 0.41 H new ATOM 0 HD13 LEU B 5 5.021 1.874 12.029 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.584 1.130 9.080 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.913 0.516 10.093 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.829 -0.623 9.260 1.00 0.27 H new ATOM 1707 N GLU B 6 4.470 -3.279 10.084 1.00 0.35 N ATOM 1708 CA GLU B 6 4.448 -3.838 8.741 1.00 0.42 C ATOM 1709 C GLU B 6 3.345 -4.886 8.671 1.00 0.34 C ATOM 1710 O GLU B 6 2.579 -4.980 7.701 1.00 0.32 O ATOM 1711 CB GLU B 6 5.801 -4.443 8.344 1.00 0.62 C ATOM 1712 CG GLU B 6 6.177 -5.730 9.058 1.00 1.80 C ATOM 1713 CD GLU B 6 5.985 -6.970 8.190 1.00 2.84 C ATOM 1714 OE1 GLU B 6 4.913 -7.114 7.570 1.00 3.61 O ATOM 1715 OE2 GLU B 6 6.898 -7.821 8.151 1.00 3.32 O ATOM 0 H GLU B 6 5.311 -3.479 10.626 1.00 0.35 H new ATOM 0 HA GLU B 6 4.249 -3.036 8.030 1.00 0.42 H new ATOM 0 HB2 GLU B 6 5.794 -4.632 7.271 1.00 0.62 H new ATOM 0 HB3 GLU B 6 6.579 -3.703 8.532 1.00 0.62 H new ATOM 0 HG2 GLU B 6 7.218 -5.673 9.375 1.00 1.80 H new ATOM 0 HG3 GLU B 6 5.574 -5.828 9.961 1.00 1.80 H new ATOM 1722 N LYS B 7 3.240 -5.633 9.759 1.00 0.35 N ATOM 1723 CA LYS B 7 2.237 -6.663 9.893 1.00 0.36 C ATOM 1724 C LYS B 7 0.864 -5.996 10.014 1.00 0.32 C ATOM 1725 O LYS B 7 -0.166 -6.617 9.782 1.00 0.35 O ATOM 1726 CB LYS B 7 2.513 -7.549 11.122 1.00 0.44 C ATOM 1727 CG LYS B 7 3.986 -7.660 11.540 1.00 0.64 C ATOM 1728 CD LYS B 7 4.838 -8.545 10.628 1.00 0.80 C ATOM 1729 CE LYS B 7 6.264 -8.615 11.146 1.00 1.78 C ATOM 1730 NZ LYS B 7 6.346 -9.295 12.464 1.00 2.82 N ATOM 0 H LYS B 7 3.850 -5.538 10.571 1.00 0.35 H new ATOM 0 HA LYS B 7 2.263 -7.306 9.013 1.00 0.36 H new ATOM 0 HB2 LYS B 7 1.943 -7.159 11.965 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.135 -8.551 10.918 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.420 -6.660 11.564 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.034 -8.053 12.555 1.00 0.64 H new ATOM 0 HD2 LYS B 7 4.411 -9.547 10.580 1.00 0.80 H new ATOM 0 HD3 LYS B 7 4.831 -8.147 9.613 1.00 0.80 H new ATOM 0 HE2 LYS B 7 6.886 -9.146 10.425 1.00 1.78 H new ATOM 0 HE3 LYS B 7 6.668 -7.606 11.233 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 7.223 -9.853 12.513 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 6.345 -8.583 13.222 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 5.528 -9.926 12.581 1.00 2.82 H new ATOM 1744 N ALA B 8 0.872 -4.720 10.401 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.346 -3.942 10.566 1.00 0.29 C ATOM 1746 C ALA B 8 -0.870 -3.451 9.231 1.00 0.27 C ATOM 1747 O ALA B 8 -2.066 -3.234 9.081 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.126 -2.768 11.501 1.00 0.32 C ATOM 0 H ALA B 8 1.725 -4.201 10.608 1.00 0.29 H new ATOM 0 HA ALA B 8 -1.092 -4.602 11.009 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -1.054 -2.206 11.604 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.186 -3.135 12.479 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.648 -2.118 11.093 1.00 0.32 H new ATOM 1754 N LEU B 9 0.017 -3.247 8.262 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.449 -3.041 6.887 1.00 0.25 C ATOM 1756 C LEU B 9 -1.160 -4.314 6.442 1.00 0.25 C ATOM 1757 O LEU B 9 -2.163 -4.290 5.738 1.00 0.26 O ATOM 1758 CB LEU B 9 0.692 -2.733 5.907 1.00 0.26 C ATOM 1759 CG LEU B 9 1.970 -2.178 6.521 1.00 0.25 C ATOM 1760 CD1 LEU B 9 3.076 -2.131 5.483 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.736 -0.797 7.113 1.00 0.27 C ATOM 0 H LEU B 9 1.029 -3.219 8.390 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.113 -2.176 6.879 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.939 -3.648 5.369 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.327 -2.018 5.169 1.00 0.26 H new ATOM 0 HG LEU B 9 2.276 -2.843 7.329 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.984 -1.732 5.936 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.268 -3.137 5.110 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.772 -1.490 4.656 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.665 -0.424 7.545 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.401 -0.117 6.329 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.974 -0.858 7.890 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.641 -5.441 6.887 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.325 -6.715 6.662 1.00 0.28 C ATOM 1775 C ASP B 10 -2.661 -6.721 7.416 1.00 0.27 C ATOM 1776 O ASP B 10 -3.666 -7.267 6.949 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.452 -7.895 7.099 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.171 -9.227 6.988 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.178 -9.818 5.887 1.00 1.15 O ATOM 1780 OD2 ASP B 10 -1.723 -9.696 8.008 1.00 1.18 O ATOM 0 H ASP B 10 0.238 -5.510 7.400 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.516 -6.825 5.595 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.450 -7.921 6.487 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.133 -7.744 8.130 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.676 -6.067 8.572 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.894 -5.922 9.349 1.00 0.27 C ATOM 1787 C VAL B 11 -4.859 -4.953 8.660 1.00 0.27 C ATOM 1788 O VAL B 11 -6.056 -4.995 8.898 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.592 -5.446 10.789 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.871 -5.170 11.555 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.753 -6.477 11.526 1.00 0.31 C ATOM 0 H VAL B 11 -1.855 -5.629 8.990 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.365 -6.903 9.412 1.00 0.27 H new ATOM 0 HB VAL B 11 -3.029 -4.515 10.721 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.626 -4.837 12.564 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.440 -4.393 11.045 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.467 -6.081 11.608 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.550 -6.125 12.538 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.295 -7.422 11.572 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.811 -6.625 10.998 1.00 0.31 H new ATOM 1801 N MET B 12 -4.336 -4.080 7.802 1.00 0.26 N ATOM 1802 CA MET B 12 -5.181 -3.195 6.999 1.00 0.29 C ATOM 1803 C MET B 12 -5.967 -4.031 5.992 1.00 0.29 C ATOM 1804 O MET B 12 -7.104 -3.715 5.655 1.00 0.33 O ATOM 1805 CB MET B 12 -4.341 -2.113 6.292 1.00 0.32 C ATOM 1806 CG MET B 12 -4.005 -2.413 4.836 1.00 0.98 C ATOM 1807 SD MET B 12 -2.613 -1.434 4.231 1.00 2.23 S ATOM 1808 CE MET B 12 -2.437 -2.080 2.570 1.00 2.75 C ATOM 0 H MET B 12 -3.335 -3.965 7.644 1.00 0.26 H new ATOM 0 HA MET B 12 -5.880 -2.676 7.655 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.880 -1.167 6.338 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.411 -1.977 6.844 1.00 0.32 H new ATOM 0 HG2 MET B 12 -3.772 -3.473 4.731 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.880 -2.216 4.217 1.00 0.98 H new ATOM 0 HE1 MET B 12 -1.415 -2.429 2.422 1.00 2.75 H new ATOM 0 HE2 MET B 12 -3.129 -2.910 2.427 1.00 2.75 H new ATOM 0 HE3 MET B 12 -2.660 -1.294 1.848 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.353 -5.118 5.534 1.00 0.29 N ATOM 1819 CA VAL B 13 -6.056 -6.090 4.698 1.00 0.31 C ATOM 1820 C VAL B 13 -7.226 -6.704 5.477 1.00 0.27 C ATOM 1821 O VAL B 13 -8.336 -6.870 4.954 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.112 -7.214 4.212 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.847 -8.176 3.292 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.893 -6.633 3.512 1.00 0.42 C ATOM 0 H VAL B 13 -4.378 -5.348 5.725 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.432 -5.561 3.822 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.771 -7.769 5.086 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.163 -8.958 2.962 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.682 -8.626 3.829 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.223 -7.634 2.424 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.244 -7.443 3.179 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.213 -6.047 2.650 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.347 -5.992 4.204 1.00 0.42 H new ATOM 1834 N SER B 14 -6.978 -7.026 6.740 1.00 0.26 N ATOM 1835 CA SER B 14 -8.030 -7.538 7.613 1.00 0.26 C ATOM 1836 C SER B 14 -9.060 -6.449 7.909 1.00 0.25 C ATOM 1837 O SER B 14 -10.261 -6.718 7.999 1.00 0.25 O ATOM 1838 CB SER B 14 -7.429 -8.080 8.912 1.00 0.31 C ATOM 1839 OG SER B 14 -8.428 -8.655 9.733 1.00 1.18 O ATOM 0 H SER B 14 -6.063 -6.943 7.183 1.00 0.26 H new ATOM 0 HA SER B 14 -8.536 -8.356 7.101 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.669 -8.827 8.681 1.00 0.31 H new ATOM 0 HB3 SER B 14 -6.931 -7.274 9.450 1.00 0.31 H new ATOM 0 HG SER B 14 -8.019 -8.995 10.556 1.00 1.18 H new ATOM 1845 N THR B 15 -8.569 -5.226 8.053 1.00 0.28 N ATOM 1846 CA THR B 15 -9.401 -4.041 8.174 1.00 0.32 C ATOM 1847 C THR B 15 -10.448 -4.033 7.059 1.00 0.28 C ATOM 1848 O THR B 15 -11.643 -3.784 7.285 1.00 0.29 O ATOM 1849 CB THR B 15 -8.515 -2.786 8.073 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.621 -2.730 9.195 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.344 -1.520 8.009 1.00 0.93 C ATOM 0 H THR B 15 -7.569 -5.028 8.089 1.00 0.28 H new ATOM 0 HA THR B 15 -9.910 -4.046 9.138 1.00 0.32 H new ATOM 0 HB THR B 15 -7.941 -2.855 7.149 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.021 -3.505 9.174 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.684 -0.656 7.938 1.00 0.93 H new ATOM 0 HG22 THR B 15 -9.993 -1.554 7.134 1.00 0.93 H new ATOM 0 HG23 THR B 15 -9.953 -1.438 8.909 1.00 0.93 H new ATOM 1859 N PHE B 16 -9.982 -4.365 5.861 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.828 -4.412 4.691 1.00 0.27 C ATOM 1861 C PHE B 16 -11.977 -5.387 4.868 1.00 0.29 C ATOM 1862 O PHE B 16 -13.130 -4.977 4.875 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.017 -4.790 3.459 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.843 -4.874 2.211 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.135 -3.738 1.484 1.00 1.65 C ATOM 1866 CD2 PHE B 16 -11.337 -6.086 1.772 1.00 1.73 C ATOM 1867 CE1 PHE B 16 -11.899 -3.808 0.340 1.00 2.27 C ATOM 1868 CE2 PHE B 16 -12.103 -6.163 0.630 1.00 2.34 C ATOM 1869 CZ PHE B 16 -12.385 -5.022 -0.086 1.00 2.36 C ATOM 0 H PHE B 16 -9.008 -4.608 5.681 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.247 -3.415 4.555 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.225 -4.055 3.314 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.533 -5.751 3.632 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -10.760 -2.781 1.816 1.00 1.65 H new ATOM 0 HD2 PHE B 16 -11.120 -6.984 2.331 1.00 1.73 H new ATOM 0 HE1 PHE B 16 -12.116 -2.911 -0.221 1.00 2.27 H new ATOM 0 HE2 PHE B 16 -12.482 -7.118 0.297 1.00 2.34 H new ATOM 0 HZ PHE B 16 -12.987 -5.080 -0.981 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.667 -6.669 5.050 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.722 -7.685 5.091 1.00 0.40 C ATOM 1881 C HIS B 17 -13.655 -7.470 6.278 1.00 0.36 C ATOM 1882 O HIS B 17 -14.768 -7.992 6.307 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.151 -9.114 5.074 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.391 -9.551 6.297 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -10.105 -10.046 6.241 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -11.761 -9.635 7.598 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -9.724 -10.416 7.449 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -10.708 -10.176 8.290 1.00 2.20 N ATOM 0 H HIS B 17 -10.719 -7.025 5.169 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.312 -7.569 4.182 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -12.977 -9.809 4.920 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.491 -9.207 4.212 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -12.711 -9.332 8.013 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -8.766 -10.844 7.705 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -10.690 -10.362 9.293 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.195 -6.692 7.246 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.020 -6.305 8.375 1.00 0.39 C ATOM 1899 C LYS B 18 -15.194 -5.453 7.909 1.00 0.37 C ATOM 1900 O LYS B 18 -16.333 -5.670 8.321 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.182 -5.533 9.391 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.991 -4.913 10.522 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.083 -4.285 11.566 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.142 -3.270 10.944 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.327 -2.565 11.959 1.00 1.28 N ATOM 0 H LYS B 18 -12.247 -6.315 7.270 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.412 -7.206 8.847 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.438 -6.205 9.817 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.638 -4.743 8.872 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.664 -4.156 10.119 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.613 -5.677 10.989 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.688 -3.800 12.332 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.504 -5.064 12.062 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.482 -3.774 10.238 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.721 -2.542 10.376 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -11.034 -1.639 11.587 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -11.890 -2.428 12.823 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -10.484 -3.132 12.182 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.912 -4.490 7.042 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.951 -3.592 6.553 1.00 0.29 C ATOM 1921 C TYR B 19 -16.562 -4.056 5.242 1.00 0.33 C ATOM 1922 O TYR B 19 -17.673 -3.668 4.934 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.428 -2.164 6.443 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.514 -1.428 7.757 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -14.701 -1.781 8.822 1.00 1.23 C ATOM 1926 CD2 TYR B 19 -16.433 -0.405 7.945 1.00 1.28 C ATOM 1927 CE1 TYR B 19 -14.802 -1.137 10.037 1.00 1.26 C ATOM 1928 CE2 TYR B 19 -16.532 0.249 9.156 1.00 1.35 C ATOM 1929 CZ TYR B 19 -15.714 -0.124 10.201 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.821 0.506 11.420 1.00 0.79 O ATOM 0 H TYR B 19 -13.981 -4.311 6.665 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.754 -3.611 7.290 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.392 -2.182 6.105 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.000 -1.625 5.688 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.977 -2.573 8.699 1.00 1.23 H new ATOM 0 HD2 TYR B 19 -17.081 -0.116 7.131 1.00 1.28 H new ATOM 0 HE1 TYR B 19 -14.165 -1.429 10.858 1.00 1.26 H new ATOM 0 HE2 TYR B 19 -17.246 1.049 9.284 1.00 1.35 H new ATOM 0 HH TYR B 19 -14.950 0.878 11.674 1.00 0.79 H new ATOM 1940 N SER B 20 -15.841 -4.870 4.481 1.00 0.29 N ATOM 1941 CA SER B 20 -16.375 -5.445 3.245 1.00 0.32 C ATOM 1942 C SER B 20 -17.264 -6.642 3.539 1.00 0.40 C ATOM 1943 O SER B 20 -18.001 -7.111 2.679 1.00 0.60 O ATOM 1944 CB SER B 20 -15.229 -5.890 2.348 1.00 0.35 C ATOM 1945 OG SER B 20 -14.277 -4.862 2.223 1.00 0.86 O ATOM 0 H SER B 20 -14.884 -5.149 4.695 1.00 0.29 H new ATOM 0 HA SER B 20 -16.969 -4.679 2.746 1.00 0.32 H new ATOM 0 HB2 SER B 20 -14.759 -6.781 2.763 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.613 -6.161 1.364 1.00 0.35 H new ATOM 0 HG SER B 20 -13.458 -5.222 1.823 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.165 -7.156 4.751 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.968 -8.292 5.128 1.00 0.43 C ATOM 1953 C GLY B 21 -19.215 -7.887 5.863 1.00 0.41 C ATOM 1954 O GLY B 21 -19.689 -8.613 6.740 1.00 0.46 O ATOM 0 H GLY B 21 -16.543 -6.806 5.480 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.241 -8.854 4.235 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.378 -8.959 5.757 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.749 -6.728 5.520 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.933 -6.237 6.189 1.00 0.46 C ATOM 1960 C LYS B 22 -22.143 -6.262 5.264 1.00 0.52 C ATOM 1961 O LYS B 22 -23.232 -6.674 5.666 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.705 -4.823 6.698 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.423 -4.652 7.492 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.419 -3.333 8.240 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.675 -2.157 7.312 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.127 -0.969 8.070 1.00 1.08 N ATOM 0 H LYS B 22 -19.384 -6.117 4.789 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.133 -6.897 7.033 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.688 -4.140 5.848 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.549 -4.532 7.323 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.316 -5.475 8.198 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.566 -4.696 6.820 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -20.182 -3.354 9.019 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.459 -3.201 8.738 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.764 -1.917 6.764 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -20.429 -2.430 6.574 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -20.725 -0.375 7.460 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -20.674 -1.274 8.900 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -19.300 -0.422 8.383 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.951 -5.827 4.028 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.045 -5.719 3.077 1.00 0.54 C ATOM 1982 C GLU B 23 -22.664 -6.349 1.738 1.00 0.58 C ATOM 1983 O GLU B 23 -21.625 -6.034 1.167 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.394 -4.242 2.871 1.00 0.67 C ATOM 1985 CG GLU B 23 -24.885 -3.953 2.834 1.00 1.15 C ATOM 1986 CD GLU B 23 -25.610 -4.709 1.742 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -25.699 -4.185 0.612 1.00 2.38 O ATOM 1988 OE2 GLU B 23 -26.103 -5.827 2.009 1.00 1.96 O ATOM 0 H GLU B 23 -21.043 -5.542 3.660 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.909 -6.252 3.475 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -22.942 -3.658 3.673 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -22.946 -3.901 1.937 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.323 -4.211 3.798 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -25.038 -2.883 2.690 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.521 -7.229 1.240 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.303 -7.831 -0.061 1.00 0.85 C ATOM 1997 C GLY B 24 -22.238 -8.909 -0.052 1.00 0.79 C ATOM 1998 O GLY B 24 -22.504 -10.054 0.323 1.00 0.92 O ATOM 0 H GLY B 24 -24.368 -7.539 1.716 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -24.240 -8.259 -0.417 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -23.017 -7.054 -0.770 1.00 0.85 H new ATOM 2002 N ASP B 25 -21.030 -8.541 -0.456 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.931 -9.492 -0.575 1.00 0.70 C ATOM 2004 C ASP B 25 -19.130 -9.544 0.709 1.00 0.73 C ATOM 2005 O ASP B 25 -19.615 -9.193 1.780 1.00 1.34 O ATOM 2006 CB ASP B 25 -18.990 -9.115 -1.734 1.00 0.72 C ATOM 2007 CG ASP B 25 -19.638 -9.274 -3.092 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -20.465 -8.424 -3.465 1.00 1.64 O ATOM 2009 OD2 ASP B 25 -19.319 -10.258 -3.801 1.00 1.75 O ATOM 0 H ASP B 25 -20.784 -7.584 -0.709 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.369 -10.470 -0.775 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -18.665 -8.082 -1.610 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.097 -9.738 -1.688 1.00 0.72 H new ATOM 2014 N LYS B 26 -17.914 -10.036 0.586 1.00 0.61 N ATOM 2015 CA LYS B 26 -16.959 -10.037 1.669 1.00 0.56 C ATOM 2016 C LYS B 26 -15.619 -9.517 1.147 1.00 0.49 C ATOM 2017 O LYS B 26 -14.657 -9.320 1.891 1.00 0.55 O ATOM 2018 CB LYS B 26 -16.818 -11.466 2.196 1.00 0.71 C ATOM 2019 CG LYS B 26 -15.660 -11.649 3.149 1.00 1.03 C ATOM 2020 CD LYS B 26 -15.995 -11.194 4.562 1.00 0.70 C ATOM 2021 CE LYS B 26 -17.000 -12.124 5.223 1.00 0.94 C ATOM 2022 NZ LYS B 26 -17.322 -11.704 6.611 1.00 1.56 N ATOM 0 H LYS B 26 -17.560 -10.449 -0.277 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.293 -9.391 2.481 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -17.741 -11.751 2.701 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -16.694 -12.145 1.352 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -15.371 -12.700 3.167 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -14.800 -11.088 2.784 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -15.084 -11.157 5.159 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -16.398 -10.182 4.533 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -17.915 -12.148 4.631 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -16.601 -13.138 5.235 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -17.799 -12.483 7.108 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -16.444 -11.460 7.112 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -17.949 -10.874 6.586 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.588 -9.254 -0.149 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.339 -9.008 -0.848 1.00 0.43 C ATOM 2038 C PHE B 27 -14.347 -7.630 -1.482 1.00 0.39 C ATOM 2039 O PHE B 27 -13.388 -7.238 -2.143 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.135 -10.078 -1.926 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.393 -11.472 -1.433 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -13.493 -12.105 -0.592 1.00 1.28 C ATOM 2043 CD2 PHE B 27 -15.546 -12.144 -1.800 1.00 1.76 C ATOM 2044 CE1 PHE B 27 -13.738 -13.383 -0.130 1.00 1.59 C ATOM 2045 CE2 PHE B 27 -15.798 -13.420 -1.340 1.00 2.08 C ATOM 2046 CZ PHE B 27 -14.894 -14.040 -0.504 1.00 1.65 C ATOM 0 H PHE B 27 -16.418 -9.205 -0.740 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.519 -9.054 -0.131 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.797 -9.869 -2.766 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.114 -10.016 -2.302 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -12.590 -11.593 -0.294 1.00 1.28 H new ATOM 0 HD2 PHE B 27 -16.258 -11.663 -2.455 1.00 1.76 H new ATOM 0 HE1 PHE B 27 -13.027 -13.868 0.523 1.00 1.59 H new ATOM 0 HE2 PHE B 27 -16.702 -13.932 -1.634 1.00 2.08 H new ATOM 0 HZ PHE B 27 -15.089 -15.039 -0.142 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.428 -6.894 -1.260 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.611 -5.599 -1.892 1.00 0.36 C ATOM 2058 C LYS B 28 -16.400 -4.666 -1.000 1.00 0.34 C ATOM 2059 O LYS B 28 -17.345 -5.079 -0.342 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.333 -5.731 -3.231 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.572 -6.516 -4.281 1.00 0.49 C ATOM 2062 CD LYS B 28 -16.136 -6.248 -5.658 1.00 0.56 C ATOM 2063 CE LYS B 28 -15.464 -7.101 -6.716 1.00 0.86 C ATOM 2064 NZ LYS B 28 -14.042 -6.734 -6.885 1.00 1.70 N ATOM 0 H LYS B 28 -16.192 -7.175 -0.645 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.617 -5.185 -2.061 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.297 -6.212 -3.064 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.538 -4.733 -3.619 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.517 -6.242 -4.254 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.630 -7.582 -4.059 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -17.208 -6.447 -5.657 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.008 -5.194 -5.905 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -15.539 -8.152 -6.439 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -15.986 -6.984 -7.665 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -13.639 -7.264 -7.684 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -13.967 -5.714 -7.073 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -13.518 -6.965 -6.017 1.00 1.70 H new ATOM 2078 N LEU B 29 -15.996 -3.409 -1.006 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.668 -2.364 -0.257 1.00 0.28 C ATOM 2080 C LEU B 29 -17.589 -1.576 -1.169 1.00 0.30 C ATOM 2081 O LEU B 29 -17.129 -0.784 -1.989 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.649 -1.384 0.331 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.675 -1.949 1.346 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.441 -1.077 1.392 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.319 -2.011 2.717 1.00 0.25 C ATOM 0 H LEU B 29 -15.187 -3.083 -1.534 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.236 -2.842 0.541 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.075 -0.955 -0.490 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.195 -0.565 0.801 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.396 -2.960 1.051 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.738 -1.480 2.121 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.972 -1.057 0.408 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.722 -0.064 1.680 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.608 -2.419 3.435 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.613 -1.008 3.027 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.200 -2.651 2.676 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.878 -1.763 -1.009 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.850 -0.941 -1.711 1.00 0.35 C ATOM 2099 C ASN B 30 -19.852 0.425 -1.049 1.00 0.32 C ATOM 2100 O ASN B 30 -19.246 0.565 0.006 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.227 -1.609 -1.674 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.566 -2.149 -0.302 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -22.283 -1.512 0.471 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -21.006 -3.306 0.025 1.00 0.42 N ATOM 0 H ASN B 30 -19.283 -2.475 -0.401 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.591 -0.827 -2.764 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.986 -0.888 -1.976 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.253 -2.422 -2.399 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -21.162 -3.704 0.951 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -20.419 -3.797 -0.649 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.492 1.431 -1.645 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.374 2.801 -1.132 1.00 0.34 C ATOM 2113 C LYS B 31 -20.604 2.864 0.367 1.00 0.31 C ATOM 2114 O LYS B 31 -19.851 3.516 1.075 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.342 3.766 -1.810 1.00 0.41 C ATOM 2116 CG LYS B 31 -20.787 4.439 -3.052 1.00 0.68 C ATOM 2117 CD LYS B 31 -21.864 5.234 -3.762 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.335 5.907 -5.013 1.00 1.15 C ATOM 2119 NZ LYS B 31 -22.418 6.600 -5.763 1.00 1.99 N ATOM 0 H LYS B 31 -21.087 1.330 -2.467 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.353 3.107 -1.360 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.248 3.223 -2.079 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.632 4.535 -1.093 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -19.964 5.099 -2.776 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -20.380 3.687 -3.727 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -22.689 4.573 -4.026 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.265 5.989 -3.085 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -20.563 6.626 -4.741 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -20.865 5.163 -5.656 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -21.998 7.238 -6.468 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.013 5.895 -6.244 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -23.001 7.151 -5.101 1.00 1.99 H new ATOM 2133 N SER B 32 -21.627 2.171 0.844 1.00 0.34 N ATOM 2134 CA SER B 32 -21.949 2.167 2.264 1.00 0.37 C ATOM 2135 C SER B 32 -20.745 1.711 3.085 1.00 0.34 C ATOM 2136 O SER B 32 -20.347 2.372 4.042 1.00 0.37 O ATOM 2137 CB SER B 32 -23.154 1.263 2.521 1.00 0.45 C ATOM 2138 OG SER B 32 -24.270 1.688 1.753 1.00 1.33 O ATOM 0 H SER B 32 -22.249 1.604 0.268 1.00 0.34 H new ATOM 0 HA SER B 32 -22.202 3.182 2.572 1.00 0.37 H new ATOM 0 HB2 SER B 32 -22.903 0.233 2.269 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.408 1.279 3.581 1.00 0.45 H new ATOM 0 HG SER B 32 -25.032 1.097 1.928 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.147 0.604 2.676 1.00 0.32 N ATOM 2145 CA GLU B 33 -18.973 0.072 3.342 1.00 0.34 C ATOM 2146 C GLU B 33 -17.760 0.965 3.104 1.00 0.30 C ATOM 2147 O GLU B 33 -16.982 1.226 4.022 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.697 -1.330 2.828 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.799 -2.320 3.153 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.457 -3.715 2.688 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -18.891 -3.841 1.588 1.00 2.32 O ATOM 2152 OE2 GLU B 33 -19.741 -4.678 3.429 1.00 2.15 O ATOM 0 H GLU B 33 -20.461 0.053 1.877 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.162 0.039 4.415 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.560 -1.292 1.747 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.760 -1.688 3.255 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -19.974 -2.329 4.229 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.727 -1.998 2.682 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.615 1.426 1.863 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.532 2.314 1.467 1.00 0.33 C ATOM 2161 C LEU B 34 -16.474 3.523 2.383 1.00 0.29 C ATOM 2162 O LEU B 34 -15.447 3.804 2.982 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.745 2.772 0.022 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.602 3.583 -0.587 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.364 2.717 -0.724 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -16.013 4.164 -1.935 1.00 0.54 C ATOM 0 H LEU B 34 -18.252 1.190 1.102 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.589 1.772 1.543 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.913 1.892 -0.598 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.655 3.371 -0.020 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.369 4.415 0.078 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.555 3.304 -1.159 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.062 2.356 0.259 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.584 1.868 -1.371 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.185 4.738 -2.352 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.272 3.354 -2.617 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.876 4.816 -1.802 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.596 4.221 2.482 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.724 5.388 3.346 1.00 0.29 C ATOM 2180 C LYS B 35 -17.289 5.083 4.761 1.00 0.29 C ATOM 2181 O LYS B 35 -16.433 5.763 5.321 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.172 5.843 3.389 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.711 6.259 2.045 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.228 6.162 1.999 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.883 7.437 2.474 1.00 0.70 C ATOM 2186 NZ LYS B 35 -23.346 7.274 2.670 1.00 1.29 N ATOM 0 H LYS B 35 -18.446 3.995 1.965 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.083 6.167 2.934 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.787 5.034 3.784 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.261 6.679 4.082 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.404 7.282 1.830 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.281 5.627 1.268 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.548 5.946 0.980 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.559 5.330 2.620 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -21.425 7.752 3.412 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.701 8.230 1.748 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.755 8.173 2.996 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -23.788 6.999 1.770 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.521 6.536 3.382 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.889 4.058 5.341 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.672 3.765 6.739 1.00 0.32 C ATOM 2202 C GLU B 36 -16.236 3.361 6.991 1.00 0.31 C ATOM 2203 O GLU B 36 -15.633 3.788 7.965 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.621 2.681 7.223 1.00 0.36 C ATOM 2205 CG GLU B 36 -20.063 3.034 6.963 1.00 0.37 C ATOM 2206 CD GLU B 36 -21.030 2.019 7.531 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.319 1.016 6.849 1.00 1.31 O ATOM 2208 OE2 GLU B 36 -21.497 2.214 8.671 1.00 1.14 O ATOM 0 H GLU B 36 -18.527 3.420 4.865 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.876 4.675 7.304 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.382 1.742 6.724 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.474 2.521 8.291 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.276 4.012 7.395 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.223 3.118 5.888 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.686 2.544 6.114 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.287 2.183 6.212 1.00 0.26 C ATOM 2217 C LEU B 37 -13.416 3.421 6.047 1.00 0.27 C ATOM 2218 O LEU B 37 -12.508 3.657 6.818 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.926 1.139 5.151 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.489 0.610 5.216 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.409 -0.791 4.645 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.539 1.530 4.468 1.00 0.50 C ATOM 0 H LEU B 37 -16.183 2.120 5.331 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.108 1.751 7.197 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.611 0.296 5.246 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -14.091 1.574 4.165 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.191 0.580 6.264 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.381 -1.148 4.700 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.055 -1.455 5.219 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.733 -0.779 3.604 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.525 1.133 4.528 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.842 1.594 3.423 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.567 2.524 4.915 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.705 4.212 5.038 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.905 5.385 4.735 1.00 0.29 C ATOM 2236 C LEU B 38 -12.946 6.411 5.859 1.00 0.30 C ATOM 2237 O LEU B 38 -12.002 7.164 6.056 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.393 6.019 3.442 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.552 5.718 2.204 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.187 6.358 2.338 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.417 4.219 1.983 1.00 0.43 C ATOM 0 H LEU B 38 -14.493 4.065 4.407 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.871 5.059 4.624 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.414 5.685 3.256 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.432 7.100 3.580 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.058 6.139 1.335 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.593 6.138 1.451 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.300 7.437 2.441 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.683 5.960 3.219 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -11.813 4.035 1.094 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -11.935 3.765 2.849 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.406 3.781 1.847 1.00 0.43 H new ATOM 2253 N THR B 39 -14.048 6.451 6.577 1.00 0.31 N ATOM 2254 CA THR B 39 -14.192 7.374 7.687 1.00 0.33 C ATOM 2255 C THR B 39 -13.621 6.801 8.988 1.00 0.34 C ATOM 2256 O THR B 39 -13.040 7.520 9.802 1.00 0.38 O ATOM 2257 CB THR B 39 -15.673 7.731 7.902 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.452 6.538 8.063 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.217 8.515 6.718 1.00 0.34 C ATOM 0 H THR B 39 -14.859 5.855 6.413 1.00 0.31 H new ATOM 0 HA THR B 39 -13.627 8.270 7.429 1.00 0.33 H new ATOM 0 HB THR B 39 -15.742 8.343 8.801 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.634 6.145 7.184 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.266 8.756 6.892 1.00 0.34 H new ATOM 0 HG22 THR B 39 -15.647 9.437 6.599 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.129 7.915 5.813 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.798 5.505 9.169 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.433 4.824 10.410 1.00 0.36 C ATOM 2269 C ARG B 40 -12.044 4.211 10.352 1.00 0.40 C ATOM 2270 O ARG B 40 -11.310 4.241 11.335 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.492 3.762 10.706 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.771 4.358 11.267 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.924 3.380 11.193 1.00 0.56 C ATOM 2274 NE ARG B 40 -18.199 4.012 11.524 1.00 1.16 N ATOM 2275 CZ ARG B 40 -19.381 3.563 11.109 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.465 2.414 10.455 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.484 4.247 11.376 1.00 2.31 N ATOM 0 H ARG B 40 -14.199 4.889 8.462 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.400 5.558 11.215 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.720 3.216 9.791 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -14.089 3.040 11.416 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.611 4.654 12.304 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -16.025 5.262 10.713 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.978 2.958 10.189 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.741 2.552 11.877 1.00 0.56 H new ATOM 0 HE ARG B 40 -18.182 4.848 12.108 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.622 1.871 10.268 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -20.372 2.073 10.138 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.428 5.120 11.901 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.389 3.901 11.057 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.687 3.668 9.207 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.390 3.041 9.025 1.00 0.46 C ATOM 2293 C GLU B 41 -9.426 4.005 8.358 1.00 0.54 C ATOM 2294 O GLU B 41 -8.260 3.688 8.178 1.00 0.85 O ATOM 2295 CB GLU B 41 -10.514 1.784 8.160 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.691 0.873 8.505 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.744 0.461 9.959 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -10.936 -0.390 10.389 1.00 1.30 O ATOM 2299 OE2 GLU B 41 -12.610 0.977 10.681 1.00 1.02 O ATOM 0 H GLU B 41 -12.282 3.647 8.379 1.00 0.40 H new ATOM 0 HA GLU B 41 -10.010 2.766 10.009 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.603 2.087 7.117 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.592 1.209 8.247 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.619 1.383 8.248 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.638 -0.023 7.886 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.926 5.160 7.955 1.00 0.40 N ATOM 2307 CA LEU B 42 -9.069 6.216 7.436 1.00 0.41 C ATOM 2308 C LEU B 42 -9.507 7.603 7.928 1.00 0.37 C ATOM 2309 O LEU B 42 -9.775 8.503 7.125 1.00 0.35 O ATOM 2310 CB LEU B 42 -9.044 6.155 5.909 1.00 0.44 C ATOM 2311 CG LEU B 42 -8.177 5.036 5.334 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -8.639 4.666 3.942 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.721 5.464 5.300 1.00 0.74 C ATOM 0 H LEU B 42 -10.919 5.392 7.976 1.00 0.40 H new ATOM 0 HA LEU B 42 -8.060 6.054 7.815 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -10.064 6.030 5.546 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.684 7.110 5.526 1.00 0.44 H new ATOM 0 HG LEU B 42 -8.275 4.162 5.977 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -8.009 3.868 3.550 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -9.674 4.326 3.980 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -8.567 5.537 3.291 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -6.114 4.658 4.888 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -6.617 6.351 4.676 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.385 5.691 6.312 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.576 7.796 9.269 1.00 0.40 N ATOM 2326 CA PRO B 43 -9.927 9.081 9.880 1.00 0.43 C ATOM 2327 C PRO B 43 -9.132 10.260 9.348 1.00 0.45 C ATOM 2328 O PRO B 43 -9.663 11.357 9.223 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.573 8.878 11.344 1.00 0.50 C ATOM 2330 CG PRO B 43 -9.771 7.429 11.575 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.347 6.762 10.299 1.00 0.44 C ATOM 0 HA PRO B 43 -10.969 9.326 9.675 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.545 9.176 11.549 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.213 9.475 11.994 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.175 7.080 12.418 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -10.812 7.207 11.808 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.301 6.458 10.335 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.934 5.865 10.102 1.00 0.44 H new ATOM 2339 N SER B 44 -7.862 10.046 9.053 1.00 0.45 N ATOM 2340 CA SER B 44 -7.012 11.132 8.612 1.00 0.47 C ATOM 2341 C SER B 44 -7.309 11.445 7.162 1.00 0.44 C ATOM 2342 O SER B 44 -7.638 12.587 6.809 1.00 0.45 O ATOM 2343 CB SER B 44 -5.539 10.774 8.782 1.00 0.51 C ATOM 2344 OG SER B 44 -4.695 11.854 8.418 1.00 0.59 O ATOM 0 H SER B 44 -7.402 9.138 9.111 1.00 0.45 H new ATOM 0 HA SER B 44 -7.218 12.010 9.224 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.349 10.496 9.819 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.302 9.904 8.170 1.00 0.51 H new ATOM 0 HG SER B 44 -3.758 11.593 8.540 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.239 10.398 6.342 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.417 10.536 4.900 1.00 0.41 C ATOM 2352 C PHE B 45 -8.667 11.334 4.572 1.00 0.41 C ATOM 2353 O PHE B 45 -8.603 12.368 3.906 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.496 9.181 4.206 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.499 9.320 2.709 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.331 9.623 2.027 1.00 1.83 C ATOM 2357 CD2 PHE B 45 -8.672 9.177 1.986 1.00 1.81 C ATOM 2358 CE1 PHE B 45 -6.332 9.779 0.655 1.00 2.38 C ATOM 2359 CE2 PHE B 45 -8.679 9.330 0.613 1.00 2.37 C ATOM 2360 CZ PHE B 45 -7.508 9.632 -0.053 1.00 2.40 C ATOM 0 H PHE B 45 -7.060 9.443 6.654 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.541 11.069 4.531 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.650 8.566 4.512 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.400 8.661 4.525 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.408 9.739 2.576 1.00 1.83 H new ATOM 0 HD2 PHE B 45 -9.592 8.943 2.502 1.00 1.81 H new ATOM 0 HE1 PHE B 45 -5.414 10.016 0.137 1.00 2.38 H new ATOM 0 HE2 PHE B 45 -9.600 9.213 0.061 1.00 2.37 H new ATOM 0 HZ PHE B 45 -7.512 9.753 -1.126 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.806 10.859 5.041 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.053 11.546 4.757 1.00 0.57 C ATOM 2372 C LEU B 46 -11.399 12.555 5.829 1.00 0.65 C ATOM 2373 O LEU B 46 -12.377 13.286 5.701 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.209 10.584 4.564 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.256 9.865 3.222 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.637 9.289 3.025 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.894 10.799 2.067 1.00 0.54 C ATOM 0 H LEU B 46 -9.895 10.017 5.610 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.893 12.078 3.819 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -12.170 9.835 5.355 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -13.141 11.135 4.693 1.00 0.67 H new ATOM 0 HG LEU B 46 -11.517 9.064 3.228 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -13.682 8.772 2.067 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -13.856 8.585 3.828 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.372 10.094 3.038 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -11.939 10.249 1.127 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.599 11.629 2.036 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.885 11.185 2.214 1.00 0.54 H new ATOM 2389 N GLY B 47 -10.600 12.604 6.882 1.00 0.74 N ATOM 2390 CA GLY B 47 -10.763 13.653 7.866 1.00 0.90 C ATOM 2391 C GLY B 47 -10.599 14.998 7.212 1.00 0.89 C ATOM 2392 O GLY B 47 -11.152 16.002 7.662 1.00 0.99 O ATOM 0 H GLY B 47 -9.847 11.943 7.073 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -11.748 13.581 8.328 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -10.028 13.534 8.662 1.00 0.90 H new ATOM 2396 N LYS B 48 -9.831 15.001 6.131 1.00 0.79 N ATOM 2397 CA LYS B 48 -9.689 16.183 5.302 1.00 0.82 C ATOM 2398 C LYS B 48 -10.940 16.475 4.478 1.00 0.78 C ATOM 2399 O LYS B 48 -11.277 17.641 4.258 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.523 16.027 4.333 1.00 0.81 C ATOM 2401 CG LYS B 48 -7.156 16.370 4.910 1.00 1.08 C ATOM 2402 CD LYS B 48 -6.696 15.340 5.931 1.00 1.51 C ATOM 2403 CE LYS B 48 -5.304 15.649 6.453 1.00 2.27 C ATOM 2404 NZ LYS B 48 -4.824 14.611 7.405 1.00 3.17 N ATOM 0 H LYS B 48 -9.297 14.194 5.810 1.00 0.79 H new ATOM 0 HA LYS B 48 -9.515 17.010 5.990 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.502 14.997 3.976 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -8.704 16.661 3.465 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -6.426 16.432 4.103 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -7.196 17.353 5.379 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -7.399 15.314 6.763 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -6.703 14.349 5.477 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -4.610 15.722 5.615 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -5.309 16.620 6.948 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -3.788 14.542 7.350 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -5.103 14.871 8.372 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -5.245 13.693 7.159 1.00 3.17 H new ATOM 2418 N ARG B 49 -11.643 15.437 4.037 1.00 0.73 N ATOM 2419 CA ARG B 49 -12.687 15.627 3.040 1.00 0.81 C ATOM 2420 C ARG B 49 -13.672 14.462 3.013 1.00 0.74 C ATOM 2421 O ARG B 49 -13.499 13.498 2.273 1.00 1.00 O ATOM 2422 CB ARG B 49 -12.042 15.831 1.660 1.00 0.95 C ATOM 2423 CG ARG B 49 -12.913 16.573 0.656 1.00 1.17 C ATOM 2424 CD ARG B 49 -13.934 15.663 -0.006 1.00 1.01 C ATOM 2425 NE ARG B 49 -14.804 16.397 -0.926 1.00 1.61 N ATOM 2426 CZ ARG B 49 -14.879 16.162 -2.236 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -14.117 15.231 -2.797 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -15.716 16.870 -2.984 1.00 2.50 N ATOM 0 H ARG B 49 -11.512 14.474 4.347 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.260 16.515 3.309 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -11.109 16.380 1.787 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.784 14.856 1.247 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -13.430 17.389 1.161 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -12.280 17.022 -0.109 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -13.417 14.872 -0.549 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -14.541 15.180 0.760 1.00 1.01 H new ATOM 0 HE ARG B 49 -15.391 17.136 -0.540 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -13.469 14.690 -2.225 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -14.180 15.057 -3.800 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -16.298 17.590 -2.556 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -15.777 16.694 -3.987 1.00 2.50 H new ATOM 2442 N THR B 50 -14.706 14.564 3.828 1.00 0.75 N ATOM 2443 CA THR B 50 -15.810 13.610 3.788 1.00 0.72 C ATOM 2444 C THR B 50 -17.044 14.250 3.160 1.00 0.82 C ATOM 2445 O THR B 50 -17.541 15.270 3.644 1.00 1.33 O ATOM 2446 CB THR B 50 -16.181 13.072 5.185 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.274 14.149 6.128 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.165 12.057 5.671 1.00 0.63 C ATOM 0 H THR B 50 -14.809 15.298 4.529 1.00 0.75 H new ATOM 0 HA THR B 50 -15.470 12.770 3.183 1.00 0.72 H new ATOM 0 HB THR B 50 -17.150 12.579 5.102 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.723 14.913 5.709 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.454 11.697 6.658 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.127 11.219 4.975 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.182 12.525 5.729 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.524 13.662 2.077 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.689 14.181 1.371 1.00 0.61 C ATOM 2458 C ASP B 51 -19.233 13.119 0.429 1.00 0.58 C ATOM 2459 O ASP B 51 -18.549 12.127 0.164 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.322 15.450 0.585 1.00 0.68 C ATOM 2461 CG ASP B 51 -19.518 16.099 -0.088 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -20.240 16.863 0.584 1.00 1.77 O ATOM 2463 OD2 ASP B 51 -19.744 15.841 -1.288 1.00 2.01 O ATOM 0 H ASP B 51 -17.124 12.820 1.664 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.456 14.439 2.101 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.859 16.168 1.262 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -17.578 15.200 -0.171 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.451 13.304 -0.057 1.00 0.67 N ATOM 2469 CA GLU B 52 -21.025 12.390 -1.036 1.00 0.71 C ATOM 2470 C GLU B 52 -20.141 12.300 -2.261 1.00 0.66 C ATOM 2471 O GLU B 52 -19.814 11.208 -2.734 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.428 12.825 -1.437 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.428 12.691 -0.313 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.832 13.051 -0.737 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.198 14.242 -0.644 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -25.577 12.147 -1.171 1.00 1.90 O ATOM 0 H GLU B 52 -21.061 14.077 0.209 1.00 0.67 H new ATOM 0 HA GLU B 52 -21.090 11.405 -0.573 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.400 13.862 -1.770 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.760 12.227 -2.285 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.416 11.666 0.058 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -23.127 13.333 0.515 1.00 0.95 H new ATOM 2483 N ALA B 53 -19.730 13.456 -2.743 1.00 0.71 N ATOM 2484 CA ALA B 53 -18.852 13.533 -3.895 1.00 0.76 C ATOM 2485 C ALA B 53 -17.523 12.857 -3.594 1.00 0.66 C ATOM 2486 O ALA B 53 -16.915 12.252 -4.467 1.00 0.68 O ATOM 2487 CB ALA B 53 -18.633 14.980 -4.293 1.00 0.91 C ATOM 0 H ALA B 53 -19.992 14.361 -2.352 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.323 13.012 -4.728 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -17.972 15.023 -5.159 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -19.590 15.437 -4.544 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -18.179 15.521 -3.463 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.099 12.953 -2.346 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.843 12.362 -1.910 1.00 0.58 C ATOM 2495 C ALA B 54 -15.835 10.855 -2.119 1.00 0.48 C ATOM 2496 O ALA B 54 -14.959 10.333 -2.802 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.569 12.690 -0.454 1.00 0.64 C ATOM 0 H ALA B 54 -17.611 13.439 -1.610 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.050 12.793 -2.521 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.625 12.238 -0.151 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.510 13.771 -0.330 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.375 12.297 0.165 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.813 10.156 -1.547 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.843 8.701 -1.645 1.00 0.42 C ATOM 2505 C PHE B 55 -17.147 8.256 -3.058 1.00 0.44 C ATOM 2506 O PHE B 55 -16.552 7.319 -3.560 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.824 8.080 -0.642 1.00 0.43 C ATOM 2508 CG PHE B 55 -19.287 8.432 -0.783 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -20.063 7.914 -1.807 1.00 1.97 C ATOM 2510 CD2 PHE B 55 -19.893 9.250 0.155 1.00 1.87 C ATOM 2511 CE1 PHE B 55 -21.408 8.213 -1.897 1.00 2.77 C ATOM 2512 CE2 PHE B 55 -21.237 9.553 0.068 1.00 2.69 C ATOM 2513 CZ PHE B 55 -21.996 9.033 -0.960 1.00 2.95 C ATOM 0 H PHE B 55 -17.583 10.567 -1.019 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.848 8.339 -1.386 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -17.732 6.996 -0.709 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -17.505 8.366 0.360 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -19.610 7.268 -2.544 1.00 1.97 H new ATOM 0 HD2 PHE B 55 -19.307 9.657 0.966 1.00 1.87 H new ATOM 0 HE1 PHE B 55 -21.999 7.804 -2.703 1.00 2.77 H new ATOM 0 HE2 PHE B 55 -21.694 10.197 0.805 1.00 2.69 H new ATOM 0 HZ PHE B 55 -23.048 9.268 -1.030 1.00 2.95 H new ATOM 2523 N GLN B 56 -18.096 8.924 -3.666 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.407 8.744 -5.088 1.00 0.54 C ATOM 2525 C GLN B 56 -17.143 8.807 -5.948 1.00 0.53 C ATOM 2526 O GLN B 56 -16.843 7.872 -6.695 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.400 9.823 -5.535 1.00 0.62 C ATOM 2528 CG GLN B 56 -19.632 9.892 -7.038 1.00 0.76 C ATOM 2529 CD GLN B 56 -20.183 8.609 -7.632 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -21.393 8.396 -7.672 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -19.299 7.751 -8.115 1.00 0.87 N ATOM 0 H GLN B 56 -18.685 9.614 -3.199 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.851 7.757 -5.220 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.355 9.645 -5.042 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -19.040 10.793 -5.192 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.323 10.707 -7.252 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -18.691 10.135 -7.531 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.302 7.962 -8.064 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -19.614 6.878 -8.538 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.409 9.903 -5.838 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.208 10.099 -6.636 1.00 0.51 C ATOM 2542 C LYS B 57 -14.126 9.106 -6.246 1.00 0.47 C ATOM 2543 O LYS B 57 -13.538 8.458 -7.106 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.695 11.533 -6.490 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.936 12.392 -7.723 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.412 12.476 -8.089 1.00 1.00 C ATOM 2547 CE LYS B 57 -17.175 13.442 -7.197 1.00 0.86 C ATOM 2548 NZ LYS B 57 -18.594 13.578 -7.625 1.00 1.60 N ATOM 0 H LYS B 57 -16.624 10.672 -5.203 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.466 9.926 -7.681 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -15.180 11.999 -5.632 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.626 11.508 -6.277 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.550 13.396 -7.545 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.378 11.981 -8.564 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.509 12.791 -9.128 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.859 11.485 -8.013 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.137 13.093 -6.165 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.692 14.419 -7.220 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -19.084 14.244 -6.995 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -18.629 13.935 -8.601 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -19.061 12.650 -7.579 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.889 8.972 -4.945 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.879 8.057 -4.435 1.00 0.43 C ATOM 2564 C LEU B 58 -13.171 6.637 -4.884 1.00 0.42 C ATOM 2565 O LEU B 58 -12.265 5.884 -5.223 1.00 0.41 O ATOM 2566 CB LEU B 58 -12.839 8.109 -2.913 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.629 7.433 -2.277 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.339 8.028 -2.817 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.694 7.577 -0.771 1.00 0.40 C ATOM 0 H LEU B 58 -14.388 9.490 -4.222 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.911 8.364 -4.832 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -12.860 9.153 -2.599 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.744 7.641 -2.524 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.643 6.373 -2.530 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.487 7.533 -2.351 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.296 7.885 -3.897 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.307 9.094 -2.591 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -10.827 7.092 -0.321 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.696 8.634 -0.506 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.605 7.108 -0.400 1.00 0.40 H new ATOM 2581 N MET B 59 -14.444 6.291 -4.884 1.00 0.45 N ATOM 2582 CA MET B 59 -14.893 4.995 -5.344 1.00 0.48 C ATOM 2583 C MET B 59 -14.415 4.762 -6.758 1.00 0.48 C ATOM 2584 O MET B 59 -13.638 3.858 -7.005 1.00 0.48 O ATOM 2585 CB MET B 59 -16.414 4.919 -5.287 1.00 0.54 C ATOM 2586 CG MET B 59 -16.984 3.646 -5.860 1.00 0.57 C ATOM 2587 SD MET B 59 -18.773 3.701 -5.982 1.00 1.64 S ATOM 2588 CE MET B 59 -18.949 4.910 -7.283 1.00 2.39 C ATOM 0 H MET B 59 -15.195 6.903 -4.564 1.00 0.45 H new ATOM 0 HA MET B 59 -14.479 4.223 -4.696 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.734 5.014 -4.249 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.831 5.768 -5.828 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.559 3.472 -6.849 1.00 0.57 H new ATOM 0 HG3 MET B 59 -16.690 2.804 -5.234 1.00 0.57 H new ATOM 0 HE1 MET B 59 -19.955 4.854 -7.698 1.00 2.39 H new ATOM 0 HE2 MET B 59 -18.779 5.908 -6.878 1.00 2.39 H new ATOM 0 HE3 MET B 59 -18.220 4.708 -8.068 1.00 2.39 H new ATOM 2598 N SER B 60 -14.834 5.629 -7.666 1.00 0.49 N ATOM 2599 CA SER B 60 -14.448 5.516 -9.064 1.00 0.52 C ATOM 2600 C SER B 60 -12.926 5.600 -9.219 1.00 0.51 C ATOM 2601 O SER B 60 -12.371 5.140 -10.212 1.00 0.55 O ATOM 2602 CB SER B 60 -15.148 6.588 -9.907 1.00 0.55 C ATOM 2603 OG SER B 60 -14.731 6.541 -11.262 1.00 1.34 O ATOM 0 H SER B 60 -15.443 6.421 -7.459 1.00 0.49 H new ATOM 0 HA SER B 60 -14.767 4.539 -9.428 1.00 0.52 H new ATOM 0 HB2 SER B 60 -16.227 6.447 -9.853 1.00 0.55 H new ATOM 0 HB3 SER B 60 -14.934 7.574 -9.494 1.00 0.55 H new ATOM 0 HG SER B 60 -15.197 7.236 -11.772 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.252 6.204 -8.246 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.795 6.271 -8.270 1.00 0.50 C ATOM 2611 C ASN B 61 -10.200 4.888 -8.078 1.00 0.49 C ATOM 2612 O ASN B 61 -9.368 4.432 -8.862 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.241 7.192 -7.169 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.540 8.660 -7.393 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.668 9.114 -8.527 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.638 9.428 -6.313 1.00 0.57 N ATOM 0 H ASN B 61 -12.686 6.650 -7.438 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.516 6.677 -9.242 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.659 6.888 -6.209 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.161 7.056 -7.104 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.825 10.426 -6.412 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.527 9.020 -5.385 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.649 4.232 -7.028 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.099 2.952 -6.618 1.00 0.43 C ATOM 2625 C LEU B 62 -10.737 1.832 -7.409 1.00 0.48 C ATOM 2626 O LEU B 62 -10.054 1.079 -8.094 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.380 2.748 -5.133 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.262 4.011 -4.288 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.597 3.718 -2.835 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.877 4.624 -4.433 1.00 0.35 C ATOM 0 H LEU B 62 -11.406 4.569 -6.433 1.00 0.44 H new ATOM 0 HA LEU B 62 -9.025 2.944 -6.802 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.385 2.342 -5.019 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.688 2.000 -4.745 1.00 0.38 H new ATOM 0 HG LEU B 62 -10.985 4.742 -4.650 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.507 4.633 -2.249 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.618 3.342 -2.766 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.907 2.969 -2.447 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.812 5.525 -3.822 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.125 3.907 -4.103 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.700 4.880 -5.478 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.059 1.774 -7.299 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.911 0.775 -7.937 1.00 0.53 C ATOM 2644 C ASP B 63 -12.613 0.672 -9.435 1.00 0.57 C ATOM 2645 O ASP B 63 -13.237 1.331 -10.260 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.370 1.186 -7.662 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.422 0.411 -8.423 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.402 -0.828 -8.393 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -16.307 1.056 -9.021 1.00 1.24 O ATOM 0 H ASP B 63 -12.587 2.446 -6.743 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.721 -0.218 -7.529 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.565 1.076 -6.595 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.481 2.244 -7.899 1.00 0.56 H new ATOM 2654 N SER B 64 -11.624 -0.146 -9.765 1.00 0.58 N ATOM 2655 CA SER B 64 -11.188 -0.322 -11.136 1.00 0.64 C ATOM 2656 C SER B 64 -12.129 -1.268 -11.861 1.00 0.65 C ATOM 2657 O SER B 64 -12.294 -1.195 -13.079 1.00 0.75 O ATOM 2658 CB SER B 64 -9.760 -0.867 -11.158 1.00 0.72 C ATOM 2659 OG SER B 64 -8.908 -0.103 -10.316 1.00 1.38 O ATOM 0 H SER B 64 -11.104 -0.704 -9.088 1.00 0.58 H new ATOM 0 HA SER B 64 -11.203 0.641 -11.646 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.760 -1.907 -10.833 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.377 -0.851 -12.178 1.00 0.72 H new ATOM 0 HG SER B 64 -9.385 0.129 -9.492 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.754 -2.151 -11.092 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.742 -3.069 -11.632 1.00 0.72 C ATOM 2667 C ASN B 65 -15.033 -2.310 -11.952 1.00 0.69 C ATOM 2668 O ASN B 65 -15.890 -2.781 -12.702 1.00 0.77 O ATOM 2669 CB ASN B 65 -14.016 -4.204 -10.640 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.872 -3.742 -9.489 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -16.090 -3.877 -9.518 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -14.248 -3.204 -8.461 1.00 1.16 N ATOM 0 H ASN B 65 -12.592 -2.249 -10.090 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.354 -3.508 -12.551 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -14.512 -5.026 -11.156 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -13.071 -4.591 -10.259 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -14.780 -2.883 -7.652 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -13.233 -3.109 -8.474 1.00 1.16 H new ATOM 2679 N ARG B 66 -15.127 -1.115 -11.353 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.213 -0.162 -11.562 1.00 0.60 C ATOM 2681 C ARG B 66 -17.591 -0.773 -11.399 1.00 0.60 C ATOM 2682 O ARG B 66 -18.504 -0.486 -12.175 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.099 0.525 -12.909 1.00 0.67 C ATOM 2684 CG ARG B 66 -14.940 1.501 -13.002 1.00 0.70 C ATOM 2685 CD ARG B 66 -15.102 2.724 -12.088 1.00 0.70 C ATOM 2686 NE ARG B 66 -14.413 3.882 -12.660 1.00 0.78 N ATOM 2687 CZ ARG B 66 -13.088 3.975 -12.789 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -12.295 3.053 -12.255 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -12.555 5.012 -13.421 1.00 1.15 N ATOM 0 H ARG B 66 -14.427 -0.780 -10.691 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.102 0.583 -10.774 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -15.987 -0.233 -13.685 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.028 1.057 -13.115 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.016 0.983 -12.744 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -14.839 1.838 -14.034 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -16.160 2.950 -11.957 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.698 2.504 -11.100 1.00 0.70 H new ATOM 0 HE ARG B 66 -14.981 4.667 -12.980 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -12.698 2.268 -11.743 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -11.283 3.130 -12.357 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -13.158 5.738 -13.808 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -11.542 5.084 -13.520 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.748 -1.586 -10.377 1.00 0.58 N ATOM 2704 CA ASP B 67 -19.066 -2.092 -10.019 1.00 0.61 C ATOM 2705 C ASP B 67 -19.537 -1.310 -8.811 1.00 0.56 C ATOM 2706 O ASP B 67 -20.588 -1.582 -8.229 1.00 0.57 O ATOM 2707 CB ASP B 67 -19.039 -3.593 -9.713 1.00 0.69 C ATOM 2708 CG ASP B 67 -20.372 -4.266 -9.986 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -21.246 -4.278 -9.094 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -20.552 -4.800 -11.102 1.00 1.63 O ATOM 0 H ASP B 67 -16.988 -1.912 -9.780 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.749 -1.963 -10.859 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.265 -4.069 -10.315 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -18.767 -3.743 -8.668 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.716 -0.322 -8.461 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.978 0.595 -7.366 1.00 0.51 C ATOM 2717 C ASN B 68 -18.831 -0.109 -6.037 1.00 0.46 C ATOM 2718 O ASN B 68 -19.515 0.196 -5.056 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.337 1.270 -7.527 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.373 2.126 -8.780 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -21.441 2.418 -9.321 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -19.193 2.509 -9.266 1.00 0.66 N ATOM 0 H ASN B 68 -17.836 -0.137 -8.942 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.233 1.391 -7.390 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.120 0.513 -7.577 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.546 1.888 -6.654 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -19.149 3.067 -10.119 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -18.333 2.244 -8.785 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.910 -1.057 -6.035 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.504 -1.756 -4.839 1.00 0.42 C ATOM 2731 C GLU B 69 -15.997 -1.933 -4.881 1.00 0.40 C ATOM 2732 O GLU B 69 -15.462 -2.598 -5.769 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.183 -3.118 -4.738 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.686 -3.058 -4.920 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.330 -4.423 -4.983 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -19.785 -5.310 -5.669 1.00 1.31 O ATOM 2737 OE2 GLU B 69 -21.397 -4.608 -4.360 1.00 1.29 O ATOM 0 H GLU B 69 -17.420 -1.363 -6.876 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.799 -1.175 -3.965 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.760 -3.783 -5.491 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -17.960 -3.555 -3.765 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.124 -2.494 -4.096 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -19.914 -2.513 -5.836 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.322 -1.334 -3.928 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.869 -1.357 -3.899 1.00 0.36 C ATOM 2746 C VAL B 70 -13.357 -2.676 -3.356 1.00 0.35 C ATOM 2747 O VAL B 70 -13.630 -3.048 -2.224 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.291 -0.206 -3.067 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.837 -0.483 -2.725 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.420 1.102 -3.825 1.00 0.36 C ATOM 0 H VAL B 70 -15.753 -0.822 -3.158 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.536 -1.235 -4.930 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.854 -0.125 -2.137 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.439 0.342 -2.134 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.768 -1.407 -2.151 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.260 -0.583 -3.644 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -13.006 1.913 -3.225 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.875 1.032 -4.766 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.472 1.302 -4.029 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.597 -3.360 -4.174 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.134 -4.696 -3.865 1.00 0.39 C ATOM 2762 C ASP B 71 -10.886 -4.677 -2.992 1.00 0.37 C ATOM 2763 O ASP B 71 -10.258 -3.630 -2.840 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.850 -5.404 -5.176 1.00 0.45 C ATOM 2765 CG ASP B 71 -11.429 -6.845 -5.011 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -10.213 -7.114 -4.854 1.00 1.42 O ATOM 2767 OD2 ASP B 71 -12.320 -7.710 -5.042 1.00 1.35 O ATOM 0 H ASP B 71 -12.279 -3.008 -5.077 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.904 -5.221 -3.299 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.743 -5.365 -5.800 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -11.066 -4.865 -5.707 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.556 -5.831 -2.407 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.320 -6.010 -1.645 1.00 0.44 C ATOM 2774 C PHE B 72 -8.155 -5.327 -2.345 1.00 0.40 C ATOM 2775 O PHE B 72 -7.435 -4.518 -1.752 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.989 -7.499 -1.526 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.491 -8.193 -0.290 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -8.733 -8.198 0.869 1.00 1.69 C ATOM 2779 CD2 PHE B 72 -10.695 -8.879 -0.298 1.00 1.70 C ATOM 2780 CE1 PHE B 72 -9.165 -8.871 1.995 1.00 2.18 C ATOM 2781 CE2 PHE B 72 -11.135 -9.548 0.827 1.00 2.17 C ATOM 2782 CZ PHE B 72 -10.369 -9.546 1.973 1.00 2.15 C ATOM 0 H PHE B 72 -11.139 -6.667 -2.449 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.470 -5.571 -0.659 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -9.398 -8.012 -2.397 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.906 -7.614 -1.568 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -7.792 -7.669 0.893 1.00 1.69 H new ATOM 0 HD2 PHE B 72 -11.296 -8.891 -1.195 1.00 1.70 H new ATOM 0 HE1 PHE B 72 -8.562 -8.869 2.891 1.00 2.18 H new ATOM 0 HE2 PHE B 72 -12.079 -10.073 0.809 1.00 2.17 H new ATOM 0 HZ PHE B 72 -10.710 -10.072 2.852 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.987 -5.668 -3.617 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.905 -5.132 -4.418 1.00 0.37 C ATOM 2794 C GLN B 73 -7.000 -3.618 -4.525 1.00 0.36 C ATOM 2795 O GLN B 73 -6.064 -2.921 -4.160 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.916 -5.756 -5.808 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.627 -5.535 -6.578 1.00 0.50 C ATOM 2798 CD GLN B 73 -5.756 -4.534 -7.718 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -5.106 -4.684 -8.750 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.558 -3.493 -7.538 1.00 0.41 N ATOM 0 H GLN B 73 -8.594 -6.319 -4.115 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.966 -5.381 -3.924 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -7.096 -6.827 -5.716 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.747 -5.341 -6.378 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.857 -5.189 -5.888 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -5.288 -6.489 -6.981 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -7.084 -3.398 -6.669 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.649 -2.787 -8.269 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.124 -3.115 -5.035 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.321 -1.678 -5.193 1.00 0.39 C ATOM 2811 C GLU B 74 -8.139 -0.939 -3.875 1.00 0.38 C ATOM 2812 O GLU B 74 -7.669 0.195 -3.851 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.705 -1.378 -5.762 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.850 -1.734 -7.229 1.00 0.59 C ATOM 2815 CD GLU B 74 -10.410 -3.117 -7.461 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -9.757 -4.095 -7.054 1.00 2.18 O ATOM 2817 OE2 GLU B 74 -11.508 -3.220 -8.056 1.00 2.04 O ATOM 0 H GLU B 74 -8.912 -3.684 -5.346 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.563 -1.326 -5.892 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.451 -1.928 -5.188 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.920 -0.317 -5.631 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -10.499 -1.002 -7.710 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -8.875 -1.660 -7.711 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.502 -1.592 -2.786 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.358 -1.020 -1.466 1.00 0.36 C ATOM 2826 C TYR B 75 -6.878 -0.912 -1.097 1.00 0.34 C ATOM 2827 O TYR B 75 -6.424 0.107 -0.576 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.104 -1.877 -0.444 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.826 -1.477 0.987 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.263 -0.257 1.478 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -8.121 -2.316 1.841 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -9.009 0.116 2.780 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -7.865 -1.949 3.146 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.311 -0.732 3.611 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.057 -0.362 4.912 1.00 2.33 O ATOM 0 H TYR B 75 -8.903 -2.530 -2.795 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.788 -0.018 -1.463 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.175 -1.805 -0.633 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.825 -2.921 -0.583 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.811 0.412 0.830 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -7.768 -3.270 1.478 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.356 1.070 3.148 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.318 -2.612 3.799 1.00 2.09 H new ATOM 0 HH TYR B 75 -7.555 -1.073 5.362 1.00 2.33 H new ATOM 2845 N SER B 76 -6.131 -1.969 -1.387 1.00 0.35 N ATOM 2846 CA SER B 76 -4.697 -1.989 -1.133 1.00 0.36 C ATOM 2847 C SER B 76 -3.975 -0.998 -2.046 1.00 0.36 C ATOM 2848 O SER B 76 -3.034 -0.323 -1.628 1.00 0.41 O ATOM 2849 CB SER B 76 -4.153 -3.401 -1.347 1.00 0.41 C ATOM 2850 OG SER B 76 -4.825 -4.333 -0.516 1.00 1.21 O ATOM 0 H SER B 76 -6.497 -2.827 -1.800 1.00 0.35 H new ATOM 0 HA SER B 76 -4.520 -1.692 -0.099 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.273 -3.687 -2.392 1.00 0.41 H new ATOM 0 HB3 SER B 76 -3.085 -3.420 -1.132 1.00 0.41 H new ATOM 0 HG SER B 76 -5.736 -4.471 -0.849 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.445 -0.908 -3.288 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.900 0.026 -4.267 1.00 0.36 C ATOM 2858 C VAL B 77 -4.178 1.447 -3.816 1.00 0.33 C ATOM 2859 O VAL B 77 -3.386 2.362 -4.024 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.523 -0.187 -5.666 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.104 0.916 -6.626 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.135 -1.543 -6.223 1.00 0.43 C ATOM 0 H VAL B 77 -5.212 -1.479 -3.642 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.827 -0.152 -4.338 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.607 -0.151 -5.557 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.557 0.740 -7.602 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.436 1.880 -6.240 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -3.019 0.919 -6.725 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.583 -1.674 -7.208 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -3.050 -1.605 -6.307 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.492 -2.327 -5.555 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.330 1.604 -3.199 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.753 2.869 -2.645 1.00 0.29 C ATOM 2874 C PHE B 78 -4.796 3.340 -1.562 1.00 0.27 C ATOM 2875 O PHE B 78 -4.279 4.455 -1.616 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.153 2.708 -2.066 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.614 3.879 -1.251 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.357 5.181 -1.656 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -8.306 3.672 -0.076 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -7.782 6.248 -0.900 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -8.733 4.736 0.683 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.471 6.026 0.273 1.00 0.37 C ATOM 0 H PHE B 78 -6.004 0.850 -3.068 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.757 3.619 -3.436 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.857 2.547 -2.883 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.177 1.813 -1.444 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -6.817 5.358 -2.575 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.515 2.664 0.251 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.576 7.257 -1.224 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -9.274 4.561 1.601 1.00 1.19 H new ATOM 0 HZ PHE B 78 -8.805 6.862 0.870 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.563 2.484 -0.583 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.746 2.850 0.561 1.00 0.27 C ATOM 2894 C LEU B 79 -2.318 3.173 0.138 1.00 0.31 C ATOM 2895 O LEU B 79 -1.684 4.072 0.696 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.778 1.740 1.607 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.184 1.356 2.071 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.117 0.391 3.232 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.983 2.591 2.453 1.00 0.30 C ATOM 0 H LEU B 79 -4.927 1.532 -0.557 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.162 3.753 1.007 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.289 0.856 1.198 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.195 2.055 2.473 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.691 0.864 1.241 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.127 0.130 3.547 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.588 -0.511 2.925 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.587 0.857 4.062 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.979 2.293 2.780 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.477 3.115 3.264 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -6.067 3.252 1.590 1.00 0.30 H new ATOM 2911 N SER B 80 -1.818 2.466 -0.866 1.00 0.36 N ATOM 2912 CA SER B 80 -0.514 2.787 -1.420 1.00 0.47 C ATOM 2913 C SER B 80 -0.583 4.060 -2.234 1.00 0.37 C ATOM 2914 O SER B 80 0.348 4.843 -2.221 1.00 0.38 O ATOM 2915 CB SER B 80 0.015 1.659 -2.284 1.00 0.66 C ATOM 2916 OG SER B 80 -0.992 1.165 -3.146 1.00 0.84 O ATOM 0 H SER B 80 -2.290 1.677 -1.308 1.00 0.36 H new ATOM 0 HA SER B 80 0.170 2.929 -0.583 1.00 0.47 H new ATOM 0 HB2 SER B 80 0.861 2.013 -2.873 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.384 0.853 -1.650 1.00 0.66 H new ATOM 0 HG SER B 80 -1.713 1.825 -3.219 1.00 0.84 H new ATOM 2922 N SER B 81 -1.687 4.264 -2.942 1.00 0.33 N ATOM 2923 CA SER B 81 -1.896 5.497 -3.686 1.00 0.30 C ATOM 2924 C SER B 81 -1.750 6.684 -2.744 1.00 0.24 C ATOM 2925 O SER B 81 -1.200 7.718 -3.113 1.00 0.26 O ATOM 2926 CB SER B 81 -3.279 5.502 -4.352 1.00 0.37 C ATOM 2927 OG SER B 81 -3.440 6.619 -5.213 1.00 1.22 O ATOM 0 H SER B 81 -2.450 3.591 -3.016 1.00 0.33 H new ATOM 0 HA SER B 81 -1.147 5.570 -4.474 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.413 4.582 -4.920 1.00 0.37 H new ATOM 0 HB3 SER B 81 -4.053 5.519 -3.585 1.00 0.37 H new ATOM 0 HG SER B 81 -4.330 6.591 -5.622 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.222 6.508 -1.515 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.074 7.515 -0.475 1.00 0.23 C ATOM 2935 C ILE B 82 -0.606 7.715 -0.116 1.00 0.27 C ATOM 2936 O ILE B 82 -0.095 8.832 -0.124 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.819 7.114 0.811 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.294 6.826 0.517 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.666 8.212 1.853 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.051 6.264 1.703 1.00 0.23 C ATOM 0 H ILE B 82 -2.715 5.667 -1.214 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.497 8.436 -0.875 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.382 6.197 1.206 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.777 7.747 0.192 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.360 6.121 -0.312 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.194 7.926 2.763 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.609 8.356 2.077 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.085 9.141 1.467 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.088 6.085 1.421 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.593 5.326 2.016 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.017 6.977 2.527 1.00 0.23 H new ATOM 2952 N ALA B 83 0.064 6.624 0.206 1.00 0.30 N ATOM 2953 CA ALA B 83 1.455 6.677 0.621 1.00 0.36 C ATOM 2954 C ALA B 83 2.349 7.215 -0.505 1.00 0.37 C ATOM 2955 O ALA B 83 3.320 7.924 -0.256 1.00 0.42 O ATOM 2956 CB ALA B 83 1.897 5.298 1.090 1.00 0.40 C ATOM 0 H ALA B 83 -0.335 5.685 0.188 1.00 0.30 H new ATOM 0 HA ALA B 83 1.555 7.371 1.455 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.941 5.337 1.402 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.279 4.984 1.931 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.788 4.584 0.274 1.00 0.40 H new ATOM 2962 N MET B 84 1.986 6.904 -1.744 1.00 0.37 N ATOM 2963 CA MET B 84 2.711 7.398 -2.908 1.00 0.43 C ATOM 2964 C MET B 84 2.440 8.874 -3.114 1.00 0.34 C ATOM 2965 O MET B 84 3.364 9.664 -3.264 1.00 0.37 O ATOM 2966 CB MET B 84 2.314 6.648 -4.180 1.00 0.64 C ATOM 2967 CG MET B 84 2.570 5.159 -4.117 1.00 0.44 C ATOM 2968 SD MET B 84 2.310 4.335 -5.703 1.00 1.00 S ATOM 2969 CE MET B 84 0.559 4.602 -5.952 1.00 1.26 C ATOM 0 H MET B 84 1.189 6.308 -1.969 1.00 0.37 H new ATOM 0 HA MET B 84 3.771 7.234 -2.716 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.255 6.817 -4.374 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.864 7.066 -5.023 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.594 4.985 -3.786 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.913 4.714 -3.370 1.00 0.44 H new ATOM 0 HE1 MET B 84 0.248 4.132 -6.885 1.00 1.26 H new ATOM 0 HE2 MET B 84 0.003 4.164 -5.123 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.357 5.672 -6.000 1.00 1.26 H new ATOM 2979 N MET B 85 1.166 9.242 -3.115 1.00 0.33 N ATOM 2980 CA MET B 85 0.782 10.626 -3.342 1.00 0.35 C ATOM 2981 C MET B 85 1.385 11.524 -2.269 1.00 0.35 C ATOM 2982 O MET B 85 1.792 12.642 -2.554 1.00 0.42 O ATOM 2983 CB MET B 85 -0.744 10.773 -3.397 1.00 0.39 C ATOM 2984 CG MET B 85 -1.423 10.549 -2.070 1.00 1.36 C ATOM 2985 SD MET B 85 -1.751 12.077 -1.160 1.00 2.66 S ATOM 2986 CE MET B 85 -2.888 12.903 -2.274 1.00 3.35 C ATOM 0 H MET B 85 0.385 8.604 -2.962 1.00 0.33 H new ATOM 0 HA MET B 85 1.175 10.939 -4.309 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.991 11.772 -3.757 1.00 0.39 H new ATOM 0 HB3 MET B 85 -1.142 10.064 -4.123 1.00 0.39 H new ATOM 0 HG2 MET B 85 -2.364 10.025 -2.236 1.00 1.36 H new ATOM 0 HG3 MET B 85 -0.800 9.897 -1.457 1.00 1.36 H new ATOM 0 HE1 MET B 85 -3.558 13.544 -1.701 1.00 3.35 H new ATOM 0 HE2 MET B 85 -2.326 13.509 -2.985 1.00 3.35 H new ATOM 0 HE3 MET B 85 -3.473 12.159 -2.815 1.00 3.35 H new ATOM 2996 N SER B 86 1.474 11.017 -1.042 1.00 0.33 N ATOM 2997 CA SER B 86 2.064 11.781 0.044 1.00 0.39 C ATOM 2998 C SER B 86 3.593 11.806 -0.051 1.00 0.43 C ATOM 2999 O SER B 86 4.230 12.728 0.454 1.00 0.57 O ATOM 3000 CB SER B 86 1.610 11.226 1.397 1.00 0.43 C ATOM 3001 OG SER B 86 1.839 9.833 1.490 1.00 1.25 O ATOM 0 H SER B 86 1.147 10.087 -0.780 1.00 0.33 H new ATOM 0 HA SER B 86 1.715 12.810 -0.044 1.00 0.39 H new ATOM 0 HB2 SER B 86 2.143 11.738 2.198 1.00 0.43 H new ATOM 0 HB3 SER B 86 0.549 11.431 1.538 1.00 0.43 H new ATOM 0 HG SER B 86 1.104 9.351 1.057 1.00 1.25 H new ATOM 3007 N ASN B 87 4.190 10.810 -0.706 1.00 0.40 N ATOM 3008 CA ASN B 87 5.643 10.783 -0.845 1.00 0.51 C ATOM 3009 C ASN B 87 6.092 11.642 -2.030 1.00 0.44 C ATOM 3010 O ASN B 87 7.092 12.367 -1.950 1.00 0.53 O ATOM 3011 CB ASN B 87 6.182 9.328 -0.913 1.00 0.69 C ATOM 3012 CG ASN B 87 6.064 8.592 -2.252 1.00 1.43 C ATOM 3013 OD1 ASN B 87 5.668 7.432 -2.284 1.00 2.36 O ATOM 3014 ND2 ASN B 87 6.472 9.208 -3.347 1.00 1.49 N ATOM 0 H ASN B 87 3.701 10.027 -1.140 1.00 0.40 H new ATOM 0 HA ASN B 87 6.082 11.225 0.049 1.00 0.51 H new ATOM 0 HB2 ASN B 87 7.235 9.346 -0.630 1.00 0.69 H new ATOM 0 HB3 ASN B 87 5.659 8.740 -0.159 1.00 0.69 H new ATOM 0 HD21 ASN B 87 6.461 8.718 -4.242 1.00 1.49 H new ATOM 0 HD22 ASN B 87 6.798 10.173 -3.298 1.00 1.49 H new ATOM 3021 N GLU B 88 5.353 11.562 -3.129 1.00 0.37 N ATOM 3022 CA GLU B 88 5.607 12.409 -4.283 1.00 0.42 C ATOM 3023 C GLU B 88 5.333 13.858 -3.911 1.00 0.51 C ATOM 3024 O GLU B 88 6.026 14.769 -4.355 1.00 0.66 O ATOM 3025 CB GLU B 88 4.741 11.982 -5.477 1.00 0.48 C ATOM 3026 CG GLU B 88 4.922 10.521 -5.870 1.00 0.51 C ATOM 3027 CD GLU B 88 4.141 10.135 -7.112 1.00 0.91 C ATOM 3028 OE1 GLU B 88 2.899 10.265 -7.106 1.00 1.74 O ATOM 3029 OE2 GLU B 88 4.765 9.697 -8.106 1.00 1.49 O ATOM 0 H GLU B 88 4.571 10.917 -3.244 1.00 0.37 H new ATOM 0 HA GLU B 88 6.651 12.304 -4.579 1.00 0.42 H new ATOM 0 HB2 GLU B 88 3.693 12.158 -5.236 1.00 0.48 H new ATOM 0 HB3 GLU B 88 4.981 12.612 -6.333 1.00 0.48 H new ATOM 0 HG2 GLU B 88 5.981 10.326 -6.039 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.609 9.887 -5.040 1.00 0.51 H new ATOM 3036 N PHE B 89 4.337 14.053 -3.057 1.00 0.50 N ATOM 3037 CA PHE B 89 4.026 15.373 -2.538 1.00 0.63 C ATOM 3038 C PHE B 89 4.973 15.730 -1.396 1.00 0.66 C ATOM 3039 O PHE B 89 5.070 16.890 -0.999 1.00 0.79 O ATOM 3040 CB PHE B 89 2.572 15.429 -2.068 1.00 0.73 C ATOM 3041 CG PHE B 89 2.118 16.796 -1.635 1.00 1.18 C ATOM 3042 CD1 PHE B 89 1.980 17.818 -2.560 1.00 1.70 C ATOM 3043 CD2 PHE B 89 1.837 17.058 -0.303 1.00 2.16 C ATOM 3044 CE1 PHE B 89 1.568 19.075 -2.167 1.00 2.37 C ATOM 3045 CE2 PHE B 89 1.426 18.316 0.096 1.00 2.79 C ATOM 3046 CZ PHE B 89 1.292 19.325 -0.836 1.00 2.70 C ATOM 0 H PHE B 89 3.731 13.310 -2.710 1.00 0.50 H new ATOM 0 HA PHE B 89 4.159 16.103 -3.336 1.00 0.63 H new ATOM 0 HB2 PHE B 89 1.927 15.083 -2.876 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.443 14.735 -1.237 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.197 17.629 -3.601 1.00 1.70 H new ATOM 0 HD2 PHE B 89 1.940 16.272 0.430 1.00 2.16 H new ATOM 0 HE1 PHE B 89 1.461 19.862 -2.898 1.00 2.37 H new ATOM 0 HE2 PHE B 89 1.210 18.509 1.136 1.00 2.79 H new ATOM 0 HZ PHE B 89 0.972 20.309 -0.526 1.00 2.70 H new ATOM 3056 N PHE B 90 5.686 14.733 -0.871 1.00 0.60 N ATOM 3057 CA PHE B 90 6.699 14.993 0.145 1.00 0.68 C ATOM 3058 C PHE B 90 7.803 15.840 -0.467 1.00 0.68 C ATOM 3059 O PHE B 90 8.342 16.740 0.177 1.00 0.79 O ATOM 3060 CB PHE B 90 7.269 13.687 0.712 1.00 0.70 C ATOM 3061 CG PHE B 90 8.298 13.886 1.791 1.00 0.85 C ATOM 3062 CD1 PHE B 90 7.920 14.300 3.058 1.00 1.53 C ATOM 3063 CD2 PHE B 90 9.641 13.652 1.537 1.00 1.46 C ATOM 3064 CE1 PHE B 90 8.863 14.478 4.053 1.00 1.64 C ATOM 3065 CE2 PHE B 90 10.588 13.830 2.527 1.00 1.59 C ATOM 3066 CZ PHE B 90 10.198 14.244 3.787 1.00 1.21 C ATOM 0 H PHE B 90 5.581 13.752 -1.130 1.00 0.60 H new ATOM 0 HA PHE B 90 6.240 15.531 0.975 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.450 13.088 1.111 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.716 13.115 -0.101 1.00 0.70 H new ATOM 0 HD1 PHE B 90 6.878 14.486 3.271 1.00 1.53 H new ATOM 0 HD2 PHE B 90 9.950 13.327 0.555 1.00 1.46 H new ATOM 0 HE1 PHE B 90 8.556 14.800 5.037 1.00 1.64 H new ATOM 0 HE2 PHE B 90 11.631 13.646 2.317 1.00 1.59 H new ATOM 0 HZ PHE B 90 10.936 14.384 4.563 1.00 1.21 H new ATOM 3076 N GLU B 91 8.124 15.549 -1.723 1.00 0.61 N ATOM 3077 CA GLU B 91 9.033 16.400 -2.490 1.00 0.72 C ATOM 3078 C GLU B 91 8.325 17.680 -2.894 1.00 0.77 C ATOM 3079 O GLU B 91 8.931 18.747 -3.000 1.00 0.95 O ATOM 3080 CB GLU B 91 9.504 15.701 -3.763 1.00 0.82 C ATOM 3081 CG GLU B 91 10.147 14.361 -3.525 1.00 0.92 C ATOM 3082 CD GLU B 91 11.284 14.437 -2.538 1.00 1.57 C ATOM 3083 OE1 GLU B 91 12.338 14.999 -2.880 1.00 2.22 O ATOM 3084 OE2 GLU B 91 11.118 13.931 -1.415 1.00 2.25 O ATOM 0 H GLU B 91 7.773 14.737 -2.231 1.00 0.61 H new ATOM 0 HA GLU B 91 9.892 16.616 -1.855 1.00 0.72 H new ATOM 0 HB2 GLU B 91 8.652 15.570 -4.430 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.215 16.347 -4.278 1.00 0.82 H new ATOM 0 HG2 GLU B 91 9.397 13.661 -3.158 1.00 0.92 H new ATOM 0 HG3 GLU B 91 10.516 13.965 -4.471 1.00 0.92 H new ATOM 3091 N GLY B 92 7.033 17.545 -3.124 1.00 0.71 N ATOM 3092 CA GLY B 92 6.254 18.607 -3.704 1.00 0.82 C ATOM 3093 C GLY B 92 5.881 18.251 -5.121 1.00 0.81 C ATOM 3094 O GLY B 92 4.800 18.590 -5.605 1.00 0.91 O ATOM 0 H GLY B 92 6.502 16.700 -2.914 1.00 0.71 H new ATOM 0 HA2 GLY B 92 5.354 18.775 -3.113 1.00 0.82 H new ATOM 0 HA3 GLY B 92 6.823 19.537 -3.690 1.00 0.82 H new ATOM 3098 N PHE B 93 6.794 17.541 -5.773 1.00 0.76 N ATOM 3099 CA PHE B 93 6.598 17.044 -7.122 1.00 0.78 C ATOM 3100 C PHE B 93 7.262 15.681 -7.238 1.00 0.69 C ATOM 3101 O PHE B 93 8.334 15.468 -6.670 1.00 0.82 O ATOM 3102 CB PHE B 93 7.203 18.003 -8.155 1.00 1.00 C ATOM 3103 CG PHE B 93 6.596 19.377 -8.137 1.00 1.67 C ATOM 3104 CD1 PHE B 93 5.365 19.610 -8.725 1.00 2.41 C ATOM 3105 CD2 PHE B 93 7.253 20.430 -7.521 1.00 2.58 C ATOM 3106 CE1 PHE B 93 4.799 20.869 -8.700 1.00 3.46 C ATOM 3107 CE2 PHE B 93 6.691 21.690 -7.491 1.00 3.59 C ATOM 3108 CZ PHE B 93 5.462 21.909 -8.082 1.00 3.90 C ATOM 0 H PHE B 93 7.699 17.294 -5.373 1.00 0.76 H new ATOM 0 HA PHE B 93 5.529 16.965 -7.321 1.00 0.78 H new ATOM 0 HB2 PHE B 93 8.275 18.087 -7.974 1.00 1.00 H new ATOM 0 HB3 PHE B 93 7.080 17.575 -9.150 1.00 1.00 H new ATOM 0 HD1 PHE B 93 4.842 18.798 -9.209 1.00 2.41 H new ATOM 0 HD2 PHE B 93 8.215 20.263 -7.059 1.00 2.58 H new ATOM 0 HE1 PHE B 93 3.839 21.039 -9.164 1.00 3.46 H new ATOM 0 HE2 PHE B 93 7.211 22.503 -7.006 1.00 3.59 H new ATOM 0 HZ PHE B 93 5.020 22.894 -8.060 1.00 3.90 H new ATOM 3118 N PRO B 94 6.624 14.730 -7.931 1.00 0.64 N ATOM 3119 CA PRO B 94 7.199 13.402 -8.144 1.00 0.61 C ATOM 3120 C PRO B 94 8.507 13.458 -8.937 1.00 0.71 C ATOM 3121 O PRO B 94 8.501 13.372 -10.168 1.00 0.90 O ATOM 3122 CB PRO B 94 6.119 12.655 -8.939 1.00 0.65 C ATOM 3123 CG PRO B 94 5.214 13.702 -9.486 1.00 0.84 C ATOM 3124 CD PRO B 94 5.290 14.867 -8.539 1.00 0.83 C ATOM 0 HA PRO B 94 7.455 12.917 -7.202 1.00 0.61 H new ATOM 0 HB2 PRO B 94 6.563 12.065 -9.741 1.00 0.65 H new ATOM 0 HB3 PRO B 94 5.572 11.962 -8.299 1.00 0.65 H new ATOM 0 HG2 PRO B 94 5.523 13.996 -10.489 1.00 0.84 H new ATOM 0 HG3 PRO B 94 4.192 13.330 -9.563 1.00 0.84 H new ATOM 0 HD2 PRO B 94 5.183 15.817 -9.062 1.00 0.83 H new ATOM 0 HD3 PRO B 94 4.501 14.826 -7.788 1.00 0.83 H new ATOM 3132 N ASP B 95 9.629 13.590 -8.230 1.00 0.71 N ATOM 3133 CA ASP B 95 10.917 13.780 -8.890 1.00 0.87 C ATOM 3134 C ASP B 95 11.868 12.633 -8.595 1.00 0.84 C ATOM 3135 O ASP B 95 12.733 12.298 -9.406 1.00 0.96 O ATOM 3136 CB ASP B 95 11.544 15.110 -8.467 1.00 1.12 C ATOM 3137 CG ASP B 95 12.828 15.412 -9.217 1.00 1.70 C ATOM 3138 OD1 ASP B 95 12.761 15.689 -10.435 1.00 2.16 O ATOM 3139 OD2 ASP B 95 13.910 15.383 -8.594 1.00 2.40 O ATOM 0 H ASP B 95 9.671 13.569 -7.211 1.00 0.71 H new ATOM 0 HA ASP B 95 10.738 13.799 -9.965 1.00 0.87 H new ATOM 0 HB2 ASP B 95 10.829 15.915 -8.638 1.00 1.12 H new ATOM 0 HB3 ASP B 95 11.749 15.087 -7.397 1.00 1.12 H new ATOM 3144 N LYS B 96 11.693 12.019 -7.442 1.00 0.81 N ATOM 3145 CA LYS B 96 12.501 10.876 -7.059 1.00 0.86 C ATOM 3146 C LYS B 96 11.945 9.634 -7.724 1.00 0.83 C ATOM 3147 O LYS B 96 12.669 8.696 -8.033 1.00 0.94 O ATOM 3148 CB LYS B 96 12.510 10.706 -5.535 1.00 0.97 C ATOM 3149 CG LYS B 96 11.218 11.149 -4.869 1.00 0.93 C ATOM 3150 CD LYS B 96 10.773 10.198 -3.762 1.00 0.65 C ATOM 3151 CE LYS B 96 9.634 10.793 -2.955 1.00 0.84 C ATOM 3152 NZ LYS B 96 10.121 11.577 -1.788 1.00 1.85 N ATOM 0 H LYS B 96 10.995 12.293 -6.750 1.00 0.81 H new ATOM 0 HA LYS B 96 13.529 11.036 -7.385 1.00 0.86 H new ATOM 0 HB2 LYS B 96 12.693 9.659 -5.295 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.339 11.278 -5.118 1.00 0.97 H new ATOM 0 HG2 LYS B 96 11.352 12.148 -4.453 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.432 11.219 -5.621 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.457 9.250 -4.198 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.615 9.982 -3.104 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.033 11.437 -3.598 1.00 0.84 H new ATOM 0 HE3 LYS B 96 8.982 9.993 -2.606 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 9.331 12.115 -1.377 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 10.509 10.930 -1.072 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 10.864 12.236 -2.098 1.00 1.85 H new ATOM 3166 N GLN B 97 10.651 9.683 -7.989 1.00 0.85 N ATOM 3167 CA GLN B 97 9.915 8.552 -8.536 1.00 1.00 C ATOM 3168 C GLN B 97 10.486 8.142 -9.891 1.00 1.03 C ATOM 3169 O GLN B 97 11.235 8.894 -10.503 1.00 1.07 O ATOM 3170 CB GLN B 97 8.433 8.911 -8.712 1.00 1.19 C ATOM 3171 CG GLN B 97 7.958 10.140 -7.947 1.00 1.20 C ATOM 3172 CD GLN B 97 8.180 10.081 -6.448 1.00 1.05 C ATOM 3173 OE1 GLN B 97 8.287 11.113 -5.788 1.00 1.71 O ATOM 3174 NE2 GLN B 97 8.297 8.886 -5.912 1.00 0.97 N ATOM 0 H GLN B 97 10.077 10.511 -7.831 1.00 0.85 H new ATOM 0 HA GLN B 97 10.011 7.722 -7.835 1.00 1.00 H new ATOM 0 HB2 GLN B 97 8.239 9.068 -9.773 1.00 1.19 H new ATOM 0 HB3 GLN B 97 7.831 8.057 -8.401 1.00 1.19 H new ATOM 0 HG2 GLN B 97 8.471 11.017 -8.342 1.00 1.20 H new ATOM 0 HG3 GLN B 97 6.894 10.280 -8.137 1.00 1.20 H new ATOM 0 HE21 GLN B 97 8.201 8.054 -6.495 1.00 0.97 H new ATOM 0 HE22 GLN B 97 8.483 8.791 -4.914 1.00 0.97 H new ATOM 3183 N PRO B 98 10.132 6.943 -10.382 1.00 1.26 N ATOM 3184 CA PRO B 98 10.567 6.476 -11.701 1.00 1.46 C ATOM 3185 C PRO B 98 9.891 7.243 -12.834 1.00 1.51 C ATOM 3186 O PRO B 98 10.310 7.152 -13.987 1.00 1.97 O ATOM 3187 CB PRO B 98 10.132 5.009 -11.726 1.00 1.83 C ATOM 3188 CG PRO B 98 9.014 4.921 -10.747 1.00 1.83 C ATOM 3189 CD PRO B 98 9.308 5.939 -9.684 1.00 1.53 C ATOM 0 HA PRO B 98 11.637 6.620 -11.849 1.00 1.46 H new ATOM 0 HB2 PRO B 98 9.808 4.711 -12.723 1.00 1.83 H new ATOM 0 HB3 PRO B 98 10.953 4.349 -11.447 1.00 1.83 H new ATOM 0 HG2 PRO B 98 8.058 5.126 -11.228 1.00 1.83 H new ATOM 0 HG3 PRO B 98 8.948 3.920 -10.320 1.00 1.83 H new ATOM 0 HD2 PRO B 98 8.393 6.378 -9.286 1.00 1.53 H new ATOM 0 HD3 PRO B 98 9.842 5.497 -8.843 1.00 1.53 H new ATOM 3197 N ARG B 99 8.845 8.000 -12.475 1.00 1.37 N ATOM 3198 CA ARG B 99 8.033 8.775 -13.414 1.00 1.57 C ATOM 3199 C ARG B 99 7.249 7.880 -14.375 1.00 1.88 C ATOM 3200 O ARG B 99 6.025 7.988 -14.473 1.00 2.42 O ATOM 3201 CB ARG B 99 8.898 9.768 -14.177 1.00 2.01 C ATOM 3202 CG ARG B 99 9.327 10.976 -13.355 1.00 1.98 C ATOM 3203 CD ARG B 99 10.669 10.749 -12.679 1.00 2.58 C ATOM 3204 NE ARG B 99 11.747 10.555 -13.651 1.00 3.49 N ATOM 3205 CZ ARG B 99 12.949 10.061 -13.356 1.00 4.43 C ATOM 3206 NH1 ARG B 99 13.226 9.655 -12.123 1.00 4.69 N ATOM 3207 NH2 ARG B 99 13.867 9.953 -14.306 1.00 5.41 N ATOM 0 H ARG B 99 8.537 8.090 -11.507 1.00 1.37 H new ATOM 0 HA ARG B 99 7.300 9.330 -12.828 1.00 1.57 H new ATOM 0 HB2 ARG B 99 9.788 9.254 -14.541 1.00 2.01 H new ATOM 0 HB3 ARG B 99 8.349 10.114 -15.053 1.00 2.01 H new ATOM 0 HG2 ARG B 99 9.389 11.852 -14.001 1.00 1.98 H new ATOM 0 HG3 ARG B 99 8.571 11.189 -12.600 1.00 1.98 H new ATOM 0 HD2 ARG B 99 10.904 11.603 -12.043 1.00 2.58 H new ATOM 0 HD3 ARG B 99 10.605 9.876 -12.030 1.00 2.58 H new ATOM 0 HE ARG B 99 11.565 10.816 -14.620 1.00 3.49 H new ATOM 0 HH11 ARG B 99 12.516 9.720 -11.393 1.00 4.69 H new ATOM 0 HH12 ARG B 99 14.148 9.278 -11.905 1.00 4.69 H new ATOM 0 HH21 ARG B 99 13.652 10.248 -15.259 1.00 5.41 H new ATOM 0 HH22 ARG B 99 14.788 9.575 -14.084 1.00 5.41 H new ATOM 3221 N LYS B 100 7.954 7.004 -15.079 1.00 2.16 N ATOM 3222 CA LYS B 100 7.332 6.028 -15.968 1.00 2.96 C ATOM 3223 C LYS B 100 6.414 5.111 -15.172 1.00 3.79 C ATOM 3224 O LYS B 100 5.326 4.753 -15.625 1.00 4.60 O ATOM 3225 CB LYS B 100 8.409 5.190 -16.655 1.00 3.58 C ATOM 3226 CG LYS B 100 9.430 6.006 -17.425 1.00 4.14 C ATOM 3227 CD LYS B 100 10.724 5.231 -17.618 1.00 5.01 C ATOM 3228 CE LYS B 100 10.520 3.964 -18.437 1.00 5.79 C ATOM 3229 NZ LYS B 100 10.071 4.255 -19.823 1.00 6.34 N ATOM 0 H LYS B 100 8.972 6.949 -15.051 1.00 2.16 H new ATOM 0 HA LYS B 100 6.750 6.560 -16.721 1.00 2.96 H new ATOM 0 HB2 LYS B 100 8.927 4.596 -15.902 1.00 3.58 H new ATOM 0 HB3 LYS B 100 7.929 4.490 -17.339 1.00 3.58 H new ATOM 0 HG2 LYS B 100 9.020 6.282 -18.397 1.00 4.14 H new ATOM 0 HG3 LYS B 100 9.635 6.934 -16.891 1.00 4.14 H new ATOM 0 HD2 LYS B 100 11.456 5.868 -18.114 1.00 5.01 H new ATOM 0 HD3 LYS B 100 11.137 4.969 -16.644 1.00 5.01 H new ATOM 0 HE2 LYS B 100 11.453 3.401 -18.470 1.00 5.79 H new ATOM 0 HE3 LYS B 100 9.783 3.330 -17.944 1.00 5.79 H new ATOM 0 HZ1 LYS B 100 10.076 3.377 -20.381 1.00 6.34 H new ATOM 0 HZ2 LYS B 100 9.108 4.646 -19.801 1.00 6.34 H new ATOM 0 HZ3 LYS B 100 10.715 4.946 -20.259 1.00 6.34 H new ATOM 3243 N LYS B 101 6.886 4.739 -13.983 1.00 3.82 N ATOM 3244 CA LYS B 101 6.150 3.874 -13.067 1.00 4.81 C ATOM 3245 C LYS B 101 5.901 2.507 -13.697 1.00 5.78 C ATOM 3246 O LYS B 101 4.726 2.095 -13.806 1.00 6.45 O ATOM 3247 CB LYS B 101 4.825 4.526 -12.653 1.00 5.01 C ATOM 3248 CG LYS B 101 4.987 5.819 -11.869 1.00 4.42 C ATOM 3249 CD LYS B 101 3.645 6.506 -11.656 1.00 5.04 C ATOM 3250 CE LYS B 101 3.772 7.745 -10.790 1.00 4.78 C ATOM 3251 NZ LYS B 101 4.167 7.422 -9.394 1.00 5.64 N ATOM 3252 OXT LYS B 101 6.886 1.861 -14.109 1.00 6.09 O ATOM 0 H LYS B 101 7.796 5.032 -13.627 1.00 3.82 H new ATOM 0 HA LYS B 101 6.757 3.732 -12.173 1.00 4.81 H new ATOM 0 HB2 LYS B 101 4.237 4.728 -13.548 1.00 5.01 H new ATOM 0 HB3 LYS B 101 4.256 3.817 -12.051 1.00 5.01 H new ATOM 0 HG2 LYS B 101 5.447 5.607 -10.904 1.00 4.42 H new ATOM 0 HG3 LYS B 101 5.661 6.489 -12.403 1.00 4.42 H new ATOM 0 HD2 LYS B 101 3.221 6.781 -12.622 1.00 5.04 H new ATOM 0 HD3 LYS B 101 2.950 5.808 -11.190 1.00 5.04 H new ATOM 0 HE2 LYS B 101 4.511 8.417 -11.228 1.00 4.78 H new ATOM 0 HE3 LYS B 101 2.821 8.278 -10.782 1.00 4.78 H new ATOM 0 HZ1 LYS B 101 4.758 8.189 -9.014 1.00 5.64 H new ATOM 0 HZ2 LYS B 101 3.315 7.319 -8.807 1.00 5.64 H new ATOM 0 HZ3 LYS B 101 4.705 6.532 -9.383 1.00 5.64 H new TER 3266 LYS B 101