USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 13 ASN : amide:sc= -0.0252 K(o=-0.041,f=-1.4!) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0155 K(o=-0.041,f=-1.8!) USER MOD Set 2.1: A 38 GLN :FLIP amide:sc= -0.461 F(o=0.13!,f=0.81) USER MOD Set 2.2: A 43 ASN : amide:sc= 1.27 K(o=0.81,f=-5.3!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0498 USER MOD Single : A 9 THR OG1 : rot -93:sc= 0.831 USER MOD Single : A 11 ASN : amide:sc= -0.404 K(o=-0.4,f=-10!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 14 THR OG1 : rot 33:sc= 0.292 USER MOD Single : A 15 MET CE :methyl -169:sc= -1.01 (180deg=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -72:sc= 0.583 USER MOD Single : A 27 THR OG1 : rot -34:sc= 0.0322 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 87:sc= 0.325 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -71:sc= 0.885 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=-0.31) USER MOD Single : A 58 MET CE :methyl -166:sc= -0.0166 (180deg=-0.273) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 1.07 (180deg=1.07) USER MOD Single : A 70 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -11.147 4.049 3.954 1.00 50.00 N ATOM 21 CA LYS A 2 -10.534 5.368 4.048 1.00 50.00 C ATOM 22 C LYS A 2 -9.323 5.349 4.971 1.00 50.00 C ATOM 23 O LYS A 2 -9.377 4.795 6.071 1.00 50.00 O ATOM 24 CB LYS A 2 -11.552 6.399 4.537 1.00 50.00 C ATOM 25 CG LYS A 2 -11.047 7.836 4.527 1.00 50.00 C ATOM 26 CD LYS A 2 -12.176 8.820 4.791 1.00 50.00 C ATOM 27 CE LYS A 2 -11.662 10.252 4.845 1.00 75.00 C ATOM 28 NZ LYS A 2 -12.769 11.234 5.000 1.00 75.00 N ATOM 0 HA LYS A 2 -10.197 5.650 3.050 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.443 6.336 3.913 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.854 6.140 5.552 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.272 7.957 5.284 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.588 8.056 3.563 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -12.929 8.731 4.008 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.665 8.571 5.733 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -10.965 10.356 5.677 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.106 10.473 3.934 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -12.377 12.197 5.033 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.421 11.153 4.194 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.284 11.040 5.882 1.00 75.00 H new ATOM 42 N ILE A 3 -8.230 5.956 4.520 1.00 50.00 N ATOM 43 CA ILE A 3 -6.972 5.913 5.254 1.00 50.00 C ATOM 44 C ILE A 3 -7.052 6.733 6.535 1.00 50.00 C ATOM 45 O ILE A 3 -7.763 7.736 6.598 1.00 50.00 O ATOM 46 CB ILE A 3 -5.801 6.430 4.398 1.00 50.00 C ATOM 47 CG1 ILE A 3 -4.463 5.997 5.005 1.00 50.00 C ATOM 48 CG2 ILE A 3 -5.864 7.944 4.269 1.00 50.00 C ATOM 49 CD1 ILE A 3 -3.280 6.212 4.091 1.00 50.00 C ATOM 0 H ILE A 3 -8.191 6.484 3.648 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.792 4.868 5.507 1.00 50.00 H new ATOM 0 HB ILE A 3 -5.883 5.997 3.401 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.300 6.548 5.931 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -4.519 4.941 5.269 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -5.029 8.292 3.661 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -6.803 8.230 3.794 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -5.805 8.396 5.259 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -2.369 5.882 4.591 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -3.419 5.639 3.174 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.196 7.271 3.847 1.00 50.00 H new ATOM 61 N ILE A 4 -6.321 6.299 7.557 1.00 10.00 N ATOM 62 CA ILE A 4 -6.227 7.047 8.804 1.00 10.00 C ATOM 63 C ILE A 4 -4.850 7.678 8.968 1.00 10.00 C ATOM 64 O ILE A 4 -4.729 8.887 9.162 1.00 50.00 O ATOM 65 CB ILE A 4 -6.519 6.153 10.023 1.00 50.00 C ATOM 66 CG1 ILE A 4 -7.943 5.593 9.945 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.322 6.932 11.314 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.255 4.571 11.013 1.00 50.00 C ATOM 0 H ILE A 4 -5.785 5.432 7.545 1.00 10.00 H new ATOM 0 HA ILE A 4 -6.979 7.834 8.753 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.819 5.318 10.016 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.652 6.417 10.025 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.092 5.138 8.966 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.533 6.285 12.165 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.292 7.285 11.373 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.000 7.786 11.331 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.280 4.221 10.893 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.570 3.728 10.921 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.140 5.026 11.997 1.00 50.00 H new ATOM 80 N SER A 5 -3.814 6.851 8.886 1.00 10.00 N ATOM 81 CA SER A 5 -2.445 7.319 9.066 1.00 10.00 C ATOM 82 C SER A 5 -1.439 6.285 8.572 1.00 10.00 C ATOM 83 O SER A 5 -1.718 5.087 8.573 1.00 50.00 O ATOM 84 CB SER A 5 -2.192 7.647 10.524 1.00 50.00 C ATOM 85 OG SER A 5 -0.865 8.036 10.755 1.00 50.00 O ATOM 0 H SER A 5 -3.896 5.852 8.696 1.00 10.00 H new ATOM 0 HA SER A 5 -2.315 8.223 8.472 1.00 10.00 H new ATOM 0 HB2 SER A 5 -2.863 8.447 10.837 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.426 6.776 11.137 1.00 50.00 H new ATOM 0 HG SER A 5 -0.745 8.240 11.706 1.00 50.00 H new ATOM 91 N ILE A 6 -0.272 6.758 8.152 1.00 10.00 N ATOM 92 CA ILE A 6 0.797 5.872 7.706 1.00 10.00 C ATOM 93 C ILE A 6 1.989 5.927 8.651 1.00 10.00 C ATOM 94 O ILE A 6 2.547 6.996 8.901 1.00 50.00 O ATOM 95 CB ILE A 6 1.266 6.224 6.283 1.00 50.00 C ATOM 96 CG1 ILE A 6 0.108 6.085 5.289 1.00 50.00 C ATOM 97 CG2 ILE A 6 2.431 5.339 5.872 1.00 50.00 C ATOM 98 CD1 ILE A 6 0.451 6.532 3.887 1.00 50.00 C ATOM 0 H ILE A 6 -0.041 7.751 8.111 1.00 10.00 H new ATOM 0 HA ILE A 6 0.386 4.862 7.704 1.00 10.00 H new ATOM 0 HB ILE A 6 1.604 7.260 6.277 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.211 5.043 5.260 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -0.740 6.668 5.649 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.749 5.602 4.863 1.00 50.00 H new ATOM 0 HG22 ILE A 6 3.260 5.485 6.564 1.00 50.00 H new ATOM 0 HG23 ILE A 6 2.120 4.295 5.894 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -0.418 6.404 3.241 1.00 50.00 H new ATOM 0 HD12 ILE A 6 0.741 7.583 3.901 1.00 50.00 H new ATOM 0 HD13 ILE A 6 1.278 5.933 3.506 1.00 50.00 H new ATOM 110 N SER A 7 2.378 4.770 9.176 1.00 10.00 N ATOM 111 CA SER A 7 3.496 4.686 10.105 1.00 10.00 C ATOM 112 C SER A 7 4.689 3.984 9.470 1.00 10.00 C ATOM 113 O SER A 7 4.552 3.303 8.453 1.00 50.00 O ATOM 114 CB SER A 7 3.071 3.966 11.371 1.00 50.00 C ATOM 115 OG SER A 7 2.702 2.637 11.122 1.00 50.00 O ATOM 0 H SER A 7 1.933 3.875 8.972 1.00 10.00 H new ATOM 0 HA SER A 7 3.802 5.701 10.360 1.00 10.00 H new ATOM 0 HB2 SER A 7 3.889 3.986 12.091 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.233 4.496 11.825 1.00 50.00 H new ATOM 0 HG SER A 7 2.437 2.208 11.962 1.00 50.00 H new ATOM 121 N GLU A 8 5.860 4.154 10.076 1.00 10.00 N ATOM 122 CA GLU A 8 7.083 3.548 9.561 1.00 50.00 C ATOM 123 C GLU A 8 7.331 2.183 10.192 1.00 10.00 C ATOM 124 O GLU A 8 6.686 1.818 11.175 1.00 50.00 O ATOM 125 CB GLU A 8 8.281 4.467 9.808 1.00 50.00 C ATOM 126 CG GLU A 8 8.214 5.799 9.074 1.00 50.00 C ATOM 127 CD GLU A 8 9.416 6.649 9.375 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.201 6.263 10.208 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.613 7.628 8.693 1.00 50.00 O ATOM 0 H GLU A 8 5.988 4.706 10.924 1.00 10.00 H new ATOM 0 HA GLU A 8 6.959 3.409 8.487 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.361 4.659 10.878 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.191 3.946 9.509 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.151 5.622 8.000 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.308 6.331 9.364 1.00 50.00 H new ATOM 136 N THR A 9 8.267 1.435 9.620 1.00 50.00 N ATOM 137 CA THR A 9 8.600 0.109 10.125 1.00 10.00 C ATOM 138 C THR A 9 10.109 -0.074 10.238 1.00 10.00 C ATOM 139 O THR A 9 10.883 0.735 9.726 1.00 50.00 O ATOM 140 CB THR A 9 8.027 -1.000 9.224 1.00 50.00 C ATOM 141 OG1 THR A 9 8.791 -1.079 8.013 1.00 50.00 O ATOM 142 CG2 THR A 9 6.573 -0.710 8.884 1.00 50.00 C ATOM 0 H THR A 9 8.809 1.724 8.806 1.00 50.00 H new ATOM 0 HA THR A 9 8.151 0.029 11.115 1.00 10.00 H new ATOM 0 HB THR A 9 8.083 -1.948 9.759 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.371 -0.522 7.325 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.183 -1.504 8.246 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.987 -0.661 9.802 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.505 0.243 8.359 1.00 50.00 H new ATOM 150 N PRO A 10 10.522 -1.141 10.913 1.00 50.00 N ATOM 151 CA PRO A 10 11.938 -1.418 11.117 1.00 50.00 C ATOM 152 C PRO A 10 12.691 -1.443 9.794 1.00 50.00 C ATOM 153 O PRO A 10 13.866 -1.078 9.730 1.00 50.00 O ATOM 154 CB PRO A 10 11.956 -2.780 11.817 1.00 50.00 C ATOM 155 CG PRO A 10 10.656 -2.844 12.542 1.00 50.00 C ATOM 156 CD PRO A 10 9.668 -2.139 11.651 1.00 50.00 C ATOM 0 HA PRO A 10 12.437 -0.651 11.709 1.00 50.00 H new ATOM 0 HB2 PRO A 10 12.050 -3.594 11.099 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.798 -2.862 12.504 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.356 -3.877 12.722 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.724 -2.358 13.515 1.00 50.00 H new ATOM 0 HD2 PRO A 10 9.176 -2.831 10.968 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.883 -1.649 12.228 1.00 50.00 H new ATOM 164 N ASN A 11 12.009 -1.873 8.738 1.00 50.00 N ATOM 165 CA ASN A 11 12.560 -1.806 7.390 1.00 50.00 C ATOM 166 C ASN A 11 11.958 -0.648 6.607 1.00 50.00 C ATOM 167 O ASN A 11 10.781 -0.676 6.242 1.00 50.00 O ATOM 168 CB ASN A 11 12.354 -3.110 6.641 1.00 50.00 C ATOM 169 CG ASN A 11 12.997 -3.136 5.283 1.00 50.00 C ATOM 170 OD1 ASN A 11 13.370 -2.094 4.730 1.00 75.00 O ATOM 171 ND2 ASN A 11 13.054 -4.309 4.707 1.00 50.00 N ATOM 0 H ASN A 11 11.072 -2.272 8.790 1.00 50.00 H new ATOM 0 HA ASN A 11 13.632 -1.636 7.488 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.755 -3.929 7.238 1.00 50.00 H new ATOM 0 HB3 ASN A 11 11.285 -3.290 6.530 1.00 50.00 H new ATOM 0 HD21 ASN A 11 13.419 -4.394 3.758 1.00 50.00 H new ATOM 0 HD22 ASN A 11 12.733 -5.139 5.207 1.00 50.00 H new ATOM 178 N HIS A 12 12.770 0.371 6.347 1.00 50.00 N ATOM 179 CA HIS A 12 12.273 1.625 5.795 1.00 50.00 C ATOM 180 C HIS A 12 11.769 1.438 4.369 1.00 50.00 C ATOM 181 O HIS A 12 11.062 2.291 3.833 1.00 50.00 O ATOM 182 CB HIS A 12 13.364 2.700 5.827 1.00 50.00 C ATOM 183 CG HIS A 12 14.437 2.499 4.803 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.487 1.624 4.987 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.624 3.060 3.584 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.274 1.656 3.925 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.772 2.518 3.060 1.00 75.00 N ATOM 0 H HIS A 12 13.777 0.352 6.510 1.00 50.00 H new ATOM 0 HA HIS A 12 11.438 1.950 6.415 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.904 3.676 5.672 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.818 2.715 6.818 1.00 50.00 H new ATOM 0 HD2 HIS A 12 13.989 3.796 3.113 1.00 50.00 H new ATOM 0 HE1 HIS A 12 17.174 1.076 3.788 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.172 2.745 2.150 1.00 75.00 H new ATOM 195 N ASN A 13 12.137 0.316 3.760 1.00 10.00 N ATOM 196 CA ASN A 13 11.731 0.019 2.391 1.00 10.00 C ATOM 197 C ASN A 13 10.238 -0.277 2.312 1.00 10.00 C ATOM 198 O ASN A 13 9.632 -0.172 1.247 1.00 50.00 O ATOM 199 CB ASN A 13 12.527 -1.135 1.814 1.00 50.00 C ATOM 200 CG ASN A 13 13.947 -0.780 1.469 1.00 50.00 C ATOM 201 OD1 ASN A 13 14.306 0.399 1.370 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.735 -1.790 1.205 1.00 50.00 N ATOM 0 H ASN A 13 12.716 -0.403 4.193 1.00 10.00 H new ATOM 0 HA ASN A 13 11.939 0.907 1.793 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.531 -1.956 2.531 1.00 50.00 H new ATOM 0 HB3 ASN A 13 12.025 -1.498 0.917 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.694 -1.623 0.902 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.390 -2.745 1.302 1.00 50.00 H new ATOM 209 N THR A 14 9.653 -0.651 3.445 1.00 10.00 N ATOM 210 CA THR A 14 8.213 -0.865 3.528 1.00 10.00 C ATOM 211 C THR A 14 7.596 -0.032 4.642 1.00 10.00 C ATOM 212 O THR A 14 8.245 0.257 5.648 1.00 50.00 O ATOM 213 CB THR A 14 7.878 -2.350 3.767 1.00 50.00 C ATOM 214 OG1 THR A 14 6.459 -2.505 3.900 1.00 50.00 O ATOM 215 CG2 THR A 14 8.562 -2.856 5.026 1.00 50.00 C ATOM 0 H THR A 14 10.154 -0.812 4.319 1.00 10.00 H new ATOM 0 HA THR A 14 7.793 -0.554 2.571 1.00 10.00 H new ATOM 0 HB THR A 14 8.236 -2.930 2.916 1.00 50.00 H new ATOM 0 HG1 THR A 14 6.004 -1.845 3.336 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.313 -3.906 5.178 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.642 -2.750 4.921 1.00 50.00 H new ATOM 0 HG23 THR A 14 8.222 -2.275 5.883 1.00 50.00 H new ATOM 223 N MET A 15 6.338 0.354 4.457 1.00 10.00 N ATOM 224 CA MET A 15 5.636 1.171 5.439 1.00 10.00 C ATOM 225 C MET A 15 4.272 0.581 5.774 1.00 10.00 C ATOM 226 O MET A 15 3.718 -0.202 5.002 1.00 50.00 O ATOM 227 CB MET A 15 5.479 2.599 4.921 1.00 50.00 C ATOM 228 CG MET A 15 4.567 2.736 3.711 1.00 50.00 C ATOM 229 SD MET A 15 4.503 4.421 3.073 1.00 50.00 S ATOM 230 CE MET A 15 3.138 4.296 1.921 1.00 50.00 C ATOM 0 H MET A 15 5.784 0.114 3.635 1.00 10.00 H new ATOM 0 HA MET A 15 6.231 1.186 6.352 1.00 10.00 H new ATOM 0 HB2 MET A 15 5.090 3.223 5.726 1.00 50.00 H new ATOM 0 HB3 MET A 15 6.464 2.989 4.663 1.00 50.00 H new ATOM 0 HG2 MET A 15 4.913 2.067 2.923 1.00 50.00 H new ATOM 0 HG3 MET A 15 3.561 2.416 3.982 1.00 50.00 H new ATOM 0 HE1 MET A 15 3.098 5.195 1.306 1.00 50.00 H new ATOM 0 HE2 MET A 15 3.280 3.425 1.282 1.00 50.00 H new ATOM 0 HE3 MET A 15 2.204 4.192 2.473 1.00 50.00 H new ATOM 240 N LYS A 16 3.736 0.960 6.929 1.00 10.00 N ATOM 241 CA LYS A 16 2.467 0.416 7.400 1.00 10.00 C ATOM 242 C LYS A 16 1.344 1.432 7.251 1.00 10.00 C ATOM 243 O LYS A 16 1.456 2.567 7.711 1.00 50.00 O ATOM 244 CB LYS A 16 2.585 -0.030 8.859 1.00 50.00 C ATOM 245 CG LYS A 16 1.281 -0.516 9.474 1.00 50.00 C ATOM 246 CD LYS A 16 1.449 -0.828 10.953 1.00 50.00 C ATOM 247 CE LYS A 16 0.115 -1.160 11.606 1.00 50.00 C ATOM 248 NZ LYS A 16 0.267 -1.480 13.051 1.00 50.00 N ATOM 0 H LYS A 16 4.161 1.642 7.557 1.00 10.00 H new ATOM 0 HA LYS A 16 2.225 -0.450 6.784 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.323 -0.829 8.924 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.964 0.803 9.451 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.511 0.244 9.346 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.939 -1.408 8.949 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.134 -1.667 11.074 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.900 0.026 11.458 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.565 -0.316 11.491 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.339 -2.008 11.093 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.665 -1.700 13.458 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 0.895 -2.301 13.160 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.676 -0.662 13.546 1.00 50.00 H new ATOM 262 N ILE A 17 0.259 1.017 6.605 1.00 10.00 N ATOM 263 CA ILE A 17 -0.842 1.920 6.298 1.00 10.00 C ATOM 264 C ILE A 17 -2.097 1.542 7.075 1.00 10.00 C ATOM 265 O ILE A 17 -2.673 0.477 6.861 1.00 50.00 O ATOM 266 CB ILE A 17 -1.165 1.926 4.791 1.00 50.00 C ATOM 267 CG1 ILE A 17 0.066 2.345 3.984 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.336 2.853 4.502 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.092 2.162 2.491 1.00 50.00 C ATOM 0 H ILE A 17 0.120 0.059 6.284 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.521 2.919 6.595 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.445 0.916 4.492 1.00 50.00 H new ATOM 0 HG12 ILE A 17 0.285 3.392 4.191 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.925 1.766 4.323 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -2.551 2.845 3.433 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.214 2.512 5.051 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.083 3.866 4.814 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.820 2.480 1.987 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.280 1.111 2.271 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -0.930 2.763 2.137 1.00 50.00 H new ATOM 281 N THR A 18 -2.515 2.424 7.977 1.00 10.00 N ATOM 282 CA THR A 18 -3.664 2.157 8.834 1.00 10.00 C ATOM 283 C THR A 18 -4.958 2.630 8.186 1.00 10.00 C ATOM 284 O THR A 18 -5.093 3.801 7.830 1.00 50.00 O ATOM 285 CB THR A 18 -3.513 2.833 10.209 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.350 2.319 10.873 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.740 2.576 11.069 1.00 50.00 C ATOM 0 H THR A 18 -2.075 3.331 8.133 1.00 10.00 H new ATOM 0 HA THR A 18 -3.706 1.077 8.973 1.00 10.00 H new ATOM 0 HB THR A 18 -3.408 3.907 10.058 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.254 2.752 11.747 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.614 3.062 12.037 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.623 2.979 10.573 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.864 1.503 11.215 1.00 50.00 H new ATOM 295 N LEU A 19 -5.909 1.714 8.037 1.00 10.00 N ATOM 296 CA LEU A 19 -7.171 2.021 7.374 1.00 50.00 C ATOM 297 C LEU A 19 -8.341 1.915 8.344 1.00 10.00 C ATOM 298 O LEU A 19 -8.273 1.192 9.337 1.00 50.00 O ATOM 299 CB LEU A 19 -7.383 1.086 6.178 1.00 50.00 C ATOM 300 CG LEU A 19 -6.234 1.055 5.161 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.520 0.022 4.081 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.056 2.438 4.552 1.00 50.00 C ATOM 0 H LEU A 19 -5.830 0.752 8.367 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.124 3.049 7.015 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.543 0.075 6.552 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.296 1.384 5.662 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.310 0.773 5.665 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -5.699 0.008 3.364 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.621 -0.963 4.537 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.446 0.280 3.567 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.240 2.415 3.830 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -6.977 2.736 4.050 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -5.824 3.155 5.339 1.00 50.00 H new ATOM 314 N SER A 20 -9.415 2.640 8.048 1.00 10.00 N ATOM 315 CA SER A 20 -10.668 2.487 8.780 1.00 10.00 C ATOM 316 C SER A 20 -11.437 1.263 8.302 1.00 50.00 C ATOM 317 O SER A 20 -12.073 0.569 9.094 1.00 50.00 O ATOM 318 CB SER A 20 -11.513 3.736 8.630 1.00 50.00 C ATOM 319 OG SER A 20 -11.914 3.946 7.304 1.00 50.00 O ATOM 0 H SER A 20 -9.443 3.340 7.306 1.00 10.00 H new ATOM 0 HA SER A 20 -10.433 2.343 9.835 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.394 3.655 9.266 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.947 4.600 8.978 1.00 50.00 H new ATOM 0 HG SER A 20 -11.145 4.240 6.772 1.00 50.00 H new ATOM 414 N THR A 27 -9.002 -11.078 6.269 1.00 50.00 N ATOM 415 CA THR A 27 -7.977 -12.111 6.371 1.00 50.00 C ATOM 416 C THR A 27 -6.722 -11.718 5.602 1.00 50.00 C ATOM 417 O THR A 27 -6.745 -10.799 4.784 1.00 50.00 O ATOM 418 CB THR A 27 -8.486 -13.465 5.845 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.801 -13.351 4.452 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.728 -13.901 6.608 1.00 75.00 C ATOM 0 HA THR A 27 -7.735 -12.211 7.429 1.00 50.00 H new ATOM 0 HB THR A 27 -7.704 -14.211 5.988 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.152 -12.454 4.268 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.074 -14.860 6.223 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.488 -14.000 7.667 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.513 -13.155 6.482 1.00 75.00 H new ATOM 428 N SER A 28 -5.625 -12.421 5.871 1.00 10.00 N ATOM 429 CA SER A 28 -4.343 -12.104 5.254 1.00 10.00 C ATOM 430 C SER A 28 -4.357 -12.415 3.763 1.00 10.00 C ATOM 431 O SER A 28 -5.061 -13.320 3.315 1.00 50.00 O ATOM 432 CB SER A 28 -3.231 -12.870 5.942 1.00 50.00 C ATOM 433 OG SER A 28 -3.335 -14.252 5.733 1.00 50.00 O ATOM 0 H SER A 28 -5.600 -13.214 6.512 1.00 10.00 H new ATOM 0 HA SER A 28 -4.164 -11.035 5.371 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.267 -12.519 5.572 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.257 -12.663 7.012 1.00 50.00 H new ATOM 0 HG SER A 28 -2.599 -14.708 6.191 1.00 50.00 H new ATOM 439 N ASP A 29 -3.577 -11.659 2.998 1.00 10.00 N ATOM 440 CA ASP A 29 -3.526 -11.829 1.551 1.00 10.00 C ATOM 441 C ASP A 29 -2.274 -11.188 0.965 1.00 10.00 C ATOM 442 O ASP A 29 -1.656 -10.324 1.590 1.00 50.00 O ATOM 443 CB ASP A 29 -4.775 -11.236 0.897 1.00 50.00 C ATOM 444 CG ASP A 29 -5.103 -11.815 -0.472 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.357 -12.642 -0.939 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.171 -11.547 -0.968 1.00 50.00 O ATOM 0 H ASP A 29 -2.971 -10.921 3.357 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.491 -12.898 1.342 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.627 -11.394 1.559 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.643 -10.158 0.800 1.00 50.00 H new ATOM 451 N THR A 30 -1.903 -11.615 -0.235 1.00 10.00 N ATOM 452 CA THR A 30 -0.714 -11.096 -0.900 1.00 10.00 C ATOM 453 C THR A 30 -1.064 -10.471 -2.244 1.00 10.00 C ATOM 454 O THR A 30 -1.754 -11.078 -3.062 1.00 50.00 O ATOM 455 CB THR A 30 0.339 -12.199 -1.117 1.00 50.00 C ATOM 456 OG1 THR A 30 0.729 -12.746 0.149 1.00 50.00 O ATOM 457 CG2 THR A 30 1.564 -11.635 -1.821 1.00 50.00 C ATOM 0 H THR A 30 -2.409 -12.321 -0.769 1.00 10.00 H new ATOM 0 HA THR A 30 -0.296 -10.332 -0.245 1.00 10.00 H new ATOM 0 HB THR A 30 -0.097 -12.980 -1.739 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.398 -13.449 0.010 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.298 -12.428 -1.966 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.272 -11.229 -2.790 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.001 -10.843 -1.212 1.00 50.00 H new ATOM 465 N TYR A 31 -0.582 -9.252 -2.467 1.00 10.00 N ATOM 466 CA TYR A 31 -0.884 -8.520 -3.692 1.00 10.00 C ATOM 467 C TYR A 31 0.391 -8.083 -4.402 1.00 10.00 C ATOM 468 O TYR A 31 1.125 -7.226 -3.908 1.00 50.00 O ATOM 469 CB TYR A 31 -1.758 -7.303 -3.386 1.00 50.00 C ATOM 470 CG TYR A 31 -3.090 -7.646 -2.756 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.183 -7.976 -3.543 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.250 -7.638 -1.379 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.403 -8.290 -2.974 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.464 -7.952 -0.797 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.539 -8.277 -1.600 1.00 50.00 C ATOM 476 OH TYR A 31 -6.751 -8.589 -1.028 1.00 50.00 O ATOM 0 H TYR A 31 0.020 -8.750 -1.814 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.430 -9.191 -4.355 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.213 -6.635 -2.719 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.935 -6.754 -4.311 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -4.079 -7.988 -4.618 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.411 -7.382 -0.749 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -6.245 -8.544 -3.601 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.571 -7.943 0.278 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.812 -9.558 -0.898 1.00 50.00 H new ATOM 486 N THR A 32 0.650 -8.679 -5.560 1.00 10.00 N ATOM 487 CA THR A 32 1.851 -8.370 -6.328 1.00 10.00 C ATOM 488 C THR A 32 1.499 -7.860 -7.719 1.00 10.00 C ATOM 489 O THR A 32 2.202 -7.020 -8.281 1.00 50.00 O ATOM 490 CB THR A 32 2.769 -9.599 -6.460 1.00 50.00 C ATOM 491 OG1 THR A 32 2.071 -10.650 -7.140 1.00 50.00 O ATOM 492 CG2 THR A 32 3.203 -10.089 -5.087 1.00 50.00 C ATOM 0 H THR A 32 0.044 -9.379 -5.988 1.00 10.00 H new ATOM 0 HA THR A 32 2.381 -7.590 -5.782 1.00 10.00 H new ATOM 0 HB THR A 32 3.653 -9.314 -7.030 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.657 -11.431 -7.225 1.00 50.00 H new ATOM 0 HG21 THR A 32 3.851 -10.958 -5.199 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.745 -9.296 -4.572 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.324 -10.365 -4.504 1.00 50.00 H new ATOM 500 N LYS A 33 0.406 -8.375 -8.273 1.00 10.00 N ATOM 501 CA LYS A 33 -0.010 -8.017 -9.624 1.00 50.00 C ATOM 502 C LYS A 33 -1.439 -7.486 -9.639 1.00 50.00 C ATOM 503 O LYS A 33 -2.281 -7.924 -8.855 1.00 50.00 O ATOM 504 CB LYS A 33 0.113 -9.220 -10.560 1.00 50.00 C ATOM 505 CG LYS A 33 1.541 -9.700 -10.783 1.00 50.00 C ATOM 506 CD LYS A 33 1.586 -10.869 -11.755 1.00 50.00 C ATOM 507 CE LYS A 33 3.012 -11.360 -11.965 1.00 75.00 C ATOM 508 NZ LYS A 33 3.072 -12.500 -12.919 1.00 75.00 N ATOM 0 H LYS A 33 -0.208 -9.042 -7.806 1.00 10.00 H new ATOM 0 HA LYS A 33 0.651 -7.226 -9.976 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -0.475 -10.043 -10.153 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.325 -8.961 -11.524 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.146 -8.880 -11.169 1.00 50.00 H new ATOM 0 HG3 LYS A 33 1.979 -9.999 -9.831 1.00 50.00 H new ATOM 0 HD2 LYS A 33 0.971 -11.685 -11.375 1.00 50.00 H new ATOM 0 HD3 LYS A 33 1.159 -10.566 -12.711 1.00 50.00 H new ATOM 0 HE2 LYS A 33 3.626 -10.541 -12.339 1.00 75.00 H new ATOM 0 HE3 LYS A 33 3.435 -11.665 -11.008 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 4.060 -12.804 -13.034 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 2.507 -13.291 -12.550 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 2.692 -12.202 -13.840 1.00 75.00 H new ATOM 522 N VAL A 34 -1.704 -6.541 -10.534 1.00 50.00 N ATOM 523 CA VAL A 34 -3.033 -5.954 -10.657 1.00 50.00 C ATOM 524 C VAL A 34 -4.045 -6.980 -11.154 1.00 50.00 C ATOM 525 O VAL A 34 -3.773 -7.729 -12.091 1.00 50.00 O ATOM 526 CB VAL A 34 -3.032 -4.745 -11.611 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.452 -4.260 -11.860 1.00 50.00 C ATOM 528 CG2 VAL A 34 -2.177 -3.621 -11.046 1.00 50.00 C ATOM 0 H VAL A 34 -1.015 -6.165 -11.186 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.320 -5.618 -9.661 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.604 -5.059 -12.563 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.431 -3.405 -12.536 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -5.037 -5.063 -12.308 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.906 -3.964 -10.915 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -2.188 -2.775 -11.733 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.577 -3.310 -10.081 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -1.153 -3.972 -10.918 1.00 50.00 H new ATOM 538 N ASP A 35 -5.211 -7.009 -10.519 1.00 50.00 N ATOM 539 CA ASP A 35 -6.247 -7.974 -10.863 1.00 50.00 C ATOM 540 C ASP A 35 -7.621 -7.493 -10.414 1.00 50.00 C ATOM 541 O ASP A 35 -7.749 -6.821 -9.391 1.00 50.00 O ATOM 542 CB ASP A 35 -5.938 -9.337 -10.240 1.00 50.00 C ATOM 543 CG ASP A 35 -6.745 -10.492 -10.819 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.934 -10.524 -10.608 1.00 50.00 O ATOM 545 OD2 ASP A 35 -6.200 -11.241 -11.593 1.00 50.00 O ATOM 0 H ASP A 35 -5.462 -6.374 -9.762 1.00 50.00 H new ATOM 0 HA ASP A 35 -6.260 -8.075 -11.948 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.877 -9.550 -10.370 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -6.123 -9.283 -9.167 1.00 50.00 H new ATOM 550 N ASP A 36 -8.645 -7.839 -11.186 1.00 50.00 N ATOM 551 CA ASP A 36 -9.998 -7.363 -10.925 1.00 50.00 C ATOM 552 C ASP A 36 -10.528 -7.909 -9.605 1.00 50.00 C ATOM 553 O ASP A 36 -11.304 -7.247 -8.914 1.00 50.00 O ATOM 554 CB ASP A 36 -10.935 -7.753 -12.069 1.00 50.00 C ATOM 555 CG ASP A 36 -10.737 -6.949 -13.347 1.00 50.00 C ATOM 556 OD1 ASP A 36 -10.060 -5.949 -13.298 1.00 50.00 O ATOM 557 OD2 ASP A 36 -11.130 -7.420 -14.388 1.00 50.00 O ATOM 0 H ASP A 36 -8.563 -8.449 -12.000 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.960 -6.276 -10.855 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.794 -8.810 -12.294 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.966 -7.633 -11.735 1.00 50.00 H new ATOM 562 N SER A 37 -10.105 -9.119 -9.258 1.00 50.00 N ATOM 563 CA SER A 37 -10.543 -9.760 -8.023 1.00 50.00 C ATOM 564 C SER A 37 -9.950 -9.066 -6.804 1.00 50.00 C ATOM 565 O SER A 37 -10.403 -9.273 -5.678 1.00 50.00 O ATOM 566 CB SER A 37 -10.161 -11.227 -8.033 1.00 50.00 C ATOM 567 OG SER A 37 -8.772 -11.411 -8.028 1.00 50.00 O ATOM 0 H SER A 37 -9.458 -9.677 -9.815 1.00 50.00 H new ATOM 0 HA SER A 37 -11.628 -9.676 -7.962 1.00 50.00 H new ATOM 0 HB2 SER A 37 -10.594 -11.720 -7.163 1.00 50.00 H new ATOM 0 HB3 SER A 37 -10.586 -11.706 -8.915 1.00 50.00 H new ATOM 0 HG SER A 37 -8.403 -11.143 -8.896 1.00 50.00 H new ATOM 573 N GLN A 38 -8.933 -8.242 -7.034 1.00 50.00 N ATOM 574 CA GLN A 38 -8.293 -7.496 -5.957 1.00 50.00 C ATOM 575 C GLN A 38 -8.953 -6.138 -5.758 1.00 50.00 C ATOM 576 O GLN A 38 -9.541 -5.580 -6.685 1.00 50.00 O ATOM 577 CB GLN A 38 -6.801 -7.307 -6.250 1.00 50.00 C ATOM 578 CG GLN A 38 -6.035 -8.604 -6.441 1.00 50.00 C ATOM 579 CD GLN A 38 -4.634 -8.375 -6.976 1.00 50.00 C ATOM 580 OE1 GLN A 38 -4.350 -7.142 -7.380 1.00 75.00 O flip ATOM 581 NE2 GLN A 38 -3.814 -9.296 -7.023 1.00 50.00 N flip ATOM 0 H GLN A 38 -8.534 -8.074 -7.958 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.409 -8.074 -5.040 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.693 -6.699 -7.148 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.349 -6.749 -5.430 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.976 -9.131 -5.489 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.583 -9.248 -7.129 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -4.075 -10.228 -6.702 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.875 -9.125 -7.383 1.00 50.00 H new ATOM 590 N PRO A 39 -8.856 -5.610 -4.542 1.00 50.00 N ATOM 591 CA PRO A 39 -9.365 -4.278 -4.241 1.00 50.00 C ATOM 592 C PRO A 39 -8.865 -3.255 -5.255 1.00 50.00 C ATOM 593 O PRO A 39 -7.666 -3.154 -5.509 1.00 50.00 O ATOM 594 CB PRO A 39 -8.848 -3.989 -2.828 1.00 50.00 C ATOM 595 CG PRO A 39 -8.676 -5.336 -2.214 1.00 50.00 C ATOM 596 CD PRO A 39 -8.226 -6.234 -3.336 1.00 50.00 C ATOM 0 HA PRO A 39 -10.452 -4.220 -4.295 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -7.906 -3.441 -2.854 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.555 -3.382 -2.263 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.939 -5.311 -1.412 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.610 -5.691 -1.778 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.139 -6.263 -3.418 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.562 -7.261 -3.191 1.00 50.00 H new ATOM 604 N ALA A 40 -9.794 -2.500 -5.830 1.00 50.00 N ATOM 605 CA ALA A 40 -9.442 -1.386 -6.702 1.00 50.00 C ATOM 606 C ALA A 40 -8.402 -0.483 -6.052 1.00 50.00 C ATOM 607 O ALA A 40 -7.473 -0.016 -6.710 1.00 50.00 O ATOM 608 CB ALA A 40 -10.684 -0.588 -7.072 1.00 50.00 C ATOM 0 H ALA A 40 -10.797 -2.639 -5.708 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.006 -1.797 -7.612 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.404 0.240 -7.723 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.391 -1.235 -7.591 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.148 -0.197 -6.167 1.00 50.00 H new ATOM 614 N PHE A 41 -8.564 -0.244 -4.756 1.00 50.00 N ATOM 615 CA PHE A 41 -7.595 0.538 -3.996 1.00 50.00 C ATOM 616 C PHE A 41 -6.193 -0.044 -4.126 1.00 50.00 C ATOM 617 O PHE A 41 -5.238 0.675 -4.420 1.00 50.00 O ATOM 618 CB PHE A 41 -8.001 0.605 -2.522 1.00 50.00 C ATOM 619 CG PHE A 41 -9.296 1.329 -2.283 1.00 50.00 C ATOM 620 CD1 PHE A 41 -10.511 0.713 -2.546 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.302 2.627 -1.795 1.00 75.00 C ATOM 622 CE1 PHE A 41 -11.702 1.378 -2.327 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.491 3.293 -1.573 1.00 75.00 C ATOM 624 CZ PHE A 41 -11.692 2.668 -1.840 1.00 75.00 C ATOM 0 H PHE A 41 -9.357 -0.580 -4.209 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.584 1.547 -4.408 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.085 -0.409 -2.131 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -7.210 1.099 -1.959 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -10.526 -0.298 -2.926 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.366 3.123 -1.586 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -12.641 0.887 -2.537 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.481 4.303 -1.190 1.00 75.00 H new ATOM 0 HZ PHE A 41 -12.623 3.188 -1.668 1.00 75.00 H new ATOM 634 N ILE A 42 -6.076 -1.349 -3.907 1.00 50.00 N ATOM 635 CA ILE A 42 -4.788 -2.025 -3.976 1.00 50.00 C ATOM 636 C ILE A 42 -4.253 -2.048 -5.402 1.00 10.00 C ATOM 637 O ILE A 42 -3.044 -1.986 -5.624 1.00 50.00 O ATOM 638 CB ILE A 42 -4.878 -3.468 -3.448 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.235 -3.471 -1.958 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.569 -4.204 -3.685 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.253 -2.713 -1.094 1.00 50.00 C ATOM 0 H ILE A 42 -6.860 -1.960 -3.680 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.103 -1.460 -3.344 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.667 -3.987 -3.992 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.227 -3.037 -1.831 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.291 -4.502 -1.609 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.650 -5.223 -3.306 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.355 -4.231 -4.753 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.762 -3.687 -3.166 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.573 -2.760 -0.053 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.263 -3.160 -1.190 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.214 -1.672 -1.415 1.00 50.00 H new ATOM 653 N ASN A 43 -5.163 -2.137 -6.368 1.00 10.00 N ATOM 654 CA ASN A 43 -4.786 -2.143 -7.776 1.00 10.00 C ATOM 655 C ASN A 43 -4.164 -0.815 -8.187 1.00 10.00 C ATOM 656 O ASN A 43 -3.136 -0.783 -8.863 1.00 50.00 O ATOM 657 CB ASN A 43 -5.973 -2.464 -8.666 1.00 50.00 C ATOM 658 CG ASN A 43 -6.395 -3.907 -8.617 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.575 -4.807 -8.411 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.656 -4.135 -8.884 1.00 50.00 N ATOM 0 H ASN A 43 -6.167 -2.206 -6.200 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.040 -2.927 -7.906 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.816 -1.838 -8.372 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.725 -2.202 -9.695 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -8.002 -5.093 -8.930 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.292 -3.354 -9.046 1.00 50.00 H new ATOM 667 N ASP A 44 -4.791 0.279 -7.772 1.00 10.00 N ATOM 668 CA ASP A 44 -4.239 1.610 -7.994 1.00 10.00 C ATOM 669 C ASP A 44 -2.840 1.732 -7.405 1.00 10.00 C ATOM 670 O ASP A 44 -1.919 2.214 -8.063 1.00 50.00 O ATOM 671 CB ASP A 44 -5.157 2.679 -7.395 1.00 50.00 C ATOM 672 CG ASP A 44 -6.451 2.901 -8.167 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.551 2.422 -9.271 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.383 3.408 -7.590 1.00 50.00 O ATOM 0 H ASP A 44 -5.684 0.271 -7.279 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.170 1.766 -9.071 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.403 2.397 -6.371 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.612 3.622 -7.344 1.00 50.00 H new ATOM 679 N ILE A 45 -2.687 1.291 -6.160 1.00 10.00 N ATOM 680 CA ILE A 45 -1.408 1.381 -5.467 1.00 10.00 C ATOM 681 C ILE A 45 -0.325 0.611 -6.209 1.00 10.00 C ATOM 682 O ILE A 45 0.803 1.086 -6.349 1.00 50.00 O ATOM 683 CB ILE A 45 -1.508 0.851 -4.025 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.426 1.746 -3.189 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.127 0.762 -3.395 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.830 1.139 -1.865 1.00 50.00 C ATOM 0 H ILE A 45 -3.435 0.867 -5.610 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.141 2.437 -5.436 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.938 -0.150 -4.053 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.923 2.695 -3.004 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.324 1.968 -3.765 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.216 0.386 -2.376 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.496 0.085 -3.979 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.330 1.752 -3.378 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.480 1.832 -1.330 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.363 0.204 -2.041 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.939 0.942 -1.268 1.00 50.00 H new ATOM 698 N LEU A 46 -0.672 -0.579 -6.681 1.00 10.00 N ATOM 699 CA LEU A 46 0.238 -1.375 -7.499 1.00 10.00 C ATOM 700 C LEU A 46 0.688 -0.603 -8.732 1.00 10.00 C ATOM 701 O LEU A 46 1.843 -0.694 -9.146 1.00 50.00 O ATOM 702 CB LEU A 46 -0.431 -2.693 -7.907 1.00 50.00 C ATOM 703 CG LEU A 46 -0.600 -3.718 -6.778 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.485 -4.866 -7.243 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.766 -4.230 -6.348 1.00 50.00 C ATOM 0 H LEU A 46 -1.578 -1.016 -6.512 1.00 10.00 H new ATOM 0 HA LEU A 46 1.123 -1.598 -6.902 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.413 -2.469 -8.323 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.157 -3.148 -8.704 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.081 -3.242 -5.924 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.599 -5.588 -6.435 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.464 -4.479 -7.525 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -1.026 -5.354 -8.103 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.646 -4.958 -5.546 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.261 -4.703 -7.196 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.372 -3.396 -5.993 1.00 50.00 H new ATOM 717 N LYS A 47 -0.233 0.155 -9.316 1.00 10.00 N ATOM 718 CA LYS A 47 0.048 0.895 -10.540 1.00 10.00 C ATOM 719 C LYS A 47 0.914 2.116 -10.260 1.00 10.00 C ATOM 720 O LYS A 47 1.574 2.641 -11.157 1.00 50.00 O ATOM 721 CB LYS A 47 -1.254 1.316 -11.223 1.00 50.00 C ATOM 722 CG LYS A 47 -2.040 0.170 -11.841 1.00 50.00 C ATOM 723 CD LYS A 47 -3.325 0.666 -12.491 1.00 50.00 C ATOM 724 CE LYS A 47 -4.109 -0.479 -13.113 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.358 -0.006 -13.771 1.00 50.00 N ATOM 0 H LYS A 47 -1.182 0.273 -8.961 1.00 10.00 H new ATOM 0 HA LYS A 47 0.599 0.235 -11.209 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.886 1.821 -10.493 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -1.023 2.043 -12.002 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.425 -0.335 -12.586 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.279 -0.565 -11.073 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.941 1.168 -11.746 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -3.086 1.404 -13.257 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.484 -0.990 -13.845 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.359 -1.208 -12.342 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.862 -0.817 -14.182 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.966 0.460 -13.067 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -5.119 0.671 -14.524 1.00 50.00 H new ATOM 739 N VAL A 48 0.906 2.567 -9.009 1.00 10.00 N ATOM 740 CA VAL A 48 1.768 3.661 -8.583 1.00 10.00 C ATOM 741 C VAL A 48 3.238 3.298 -8.748 1.00 10.00 C ATOM 742 O VAL A 48 3.713 2.317 -8.177 1.00 50.00 O ATOM 743 CB VAL A 48 1.507 4.049 -7.115 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.523 5.078 -6.648 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.093 4.585 -6.950 1.00 50.00 C ATOM 0 H VAL A 48 0.310 2.190 -8.272 1.00 10.00 H new ATOM 0 HA VAL A 48 1.532 4.513 -9.221 1.00 10.00 H new ATOM 0 HB VAL A 48 1.612 3.156 -6.499 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.324 5.341 -5.609 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.527 4.662 -6.731 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.448 5.971 -7.269 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.075 4.854 -5.907 1.00 50.00 H new ATOM 0 HG22 VAL A 48 -0.038 5.466 -7.578 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.623 3.819 -7.247 1.00 50.00 H new ATOM 755 N GLU A 49 3.955 4.097 -9.532 1.00 10.00 N ATOM 756 CA GLU A 49 5.364 3.839 -9.805 1.00 10.00 C ATOM 757 C GLU A 49 6.182 3.838 -8.519 1.00 10.00 C ATOM 758 O GLU A 49 6.155 4.803 -7.754 1.00 50.00 O ATOM 759 CB GLU A 49 5.918 4.878 -10.781 1.00 50.00 C ATOM 760 CG GLU A 49 7.360 4.636 -11.205 1.00 50.00 C ATOM 761 CD GLU A 49 7.822 5.672 -12.190 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.027 6.499 -12.571 1.00 50.00 O ATOM 763 OE2 GLU A 49 8.996 5.710 -12.477 1.00 50.00 O ATOM 0 H GLU A 49 3.583 4.929 -9.990 1.00 10.00 H new ATOM 0 HA GLU A 49 5.442 2.851 -10.259 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.288 4.895 -11.671 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.848 5.864 -10.322 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.007 4.652 -10.328 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.449 3.644 -11.649 1.00 50.00 H new ATOM 770 N GLY A 50 6.909 2.750 -8.288 1.00 10.00 N ATOM 771 CA GLY A 50 7.804 2.657 -7.141 1.00 10.00 C ATOM 772 C GLY A 50 7.389 1.525 -6.210 1.00 10.00 C ATOM 773 O GLY A 50 8.207 0.994 -5.459 1.00 50.00 O ATOM 0 H GLY A 50 6.896 1.920 -8.881 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.825 2.493 -7.485 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.800 3.601 -6.595 1.00 10.00 H new ATOM 777 N VAL A 51 6.113 1.158 -6.264 1.00 10.00 N ATOM 778 CA VAL A 51 5.585 0.094 -5.419 1.00 10.00 C ATOM 779 C VAL A 51 6.025 -1.276 -5.917 1.00 10.00 C ATOM 780 O VAL A 51 5.806 -1.623 -7.078 1.00 50.00 O ATOM 781 CB VAL A 51 4.046 0.136 -5.353 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.515 -1.043 -4.552 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.574 1.447 -4.743 1.00 50.00 C ATOM 0 H VAL A 51 5.425 1.583 -6.885 1.00 10.00 H new ATOM 0 HA VAL A 51 5.987 0.259 -4.419 1.00 10.00 H new ATOM 0 HB VAL A 51 3.656 0.068 -6.369 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.427 -0.997 -4.516 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.824 -1.974 -5.027 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.914 -1.003 -3.538 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.485 1.459 -4.704 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.974 1.544 -3.734 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.925 2.279 -5.353 1.00 50.00 H new ATOM 793 N LYS A 52 6.648 -2.049 -5.035 1.00 10.00 N ATOM 794 CA LYS A 52 7.179 -3.355 -5.403 1.00 10.00 C ATOM 795 C LYS A 52 6.185 -4.465 -5.080 1.00 10.00 C ATOM 796 O LYS A 52 5.786 -5.229 -5.959 1.00 50.00 O ATOM 797 CB LYS A 52 8.506 -3.615 -4.688 1.00 50.00 C ATOM 798 CG LYS A 52 9.160 -4.945 -5.038 1.00 50.00 C ATOM 799 CD LYS A 52 10.482 -5.122 -4.305 1.00 50.00 C ATOM 800 CE LYS A 52 11.151 -6.435 -4.680 1.00 50.00 C ATOM 801 NZ LYS A 52 12.477 -6.592 -4.021 1.00 50.00 N ATOM 0 H LYS A 52 6.798 -1.793 -4.059 1.00 10.00 H new ATOM 0 HA LYS A 52 7.351 -3.353 -6.479 1.00 10.00 H new ATOM 0 HB2 LYS A 52 9.199 -2.809 -4.930 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.338 -3.579 -3.612 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.487 -5.763 -4.780 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.328 -4.998 -6.114 1.00 50.00 H new ATOM 0 HD2 LYS A 52 11.147 -4.292 -4.544 1.00 50.00 H new ATOM 0 HD3 LYS A 52 10.310 -5.093 -3.229 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.504 -7.266 -4.397 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.276 -6.483 -5.762 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.899 -7.500 -4.303 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 13.103 -5.814 -4.311 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 12.356 -6.572 -2.988 1.00 50.00 H new ATOM 815 N SER A 53 5.789 -4.547 -3.815 1.00 10.00 N ATOM 816 CA SER A 53 4.877 -5.592 -3.364 1.00 10.00 C ATOM 817 C SER A 53 3.963 -5.086 -2.255 1.00 10.00 C ATOM 818 O SER A 53 4.325 -4.178 -1.506 1.00 50.00 O ATOM 819 CB SER A 53 5.662 -6.800 -2.892 1.00 50.00 C ATOM 820 OG SER A 53 6.423 -6.519 -1.748 1.00 50.00 O ATOM 0 H SER A 53 6.085 -3.902 -3.083 1.00 10.00 H new ATOM 0 HA SER A 53 4.250 -5.883 -4.207 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.974 -7.618 -2.678 1.00 50.00 H new ATOM 0 HB3 SER A 53 6.321 -7.139 -3.691 1.00 50.00 H new ATOM 0 HG SER A 53 6.912 -7.323 -1.475 1.00 50.00 H new ATOM 826 N ILE A 54 2.780 -5.679 -2.155 1.00 10.00 N ATOM 827 CA ILE A 54 1.826 -5.315 -1.113 1.00 10.00 C ATOM 828 C ILE A 54 1.388 -6.536 -0.316 1.00 10.00 C ATOM 829 O ILE A 54 1.102 -7.590 -0.882 1.00 50.00 O ATOM 830 CB ILE A 54 0.583 -4.626 -1.704 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.981 -3.350 -2.450 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.423 -4.313 -0.606 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.153 -2.710 -3.216 1.00 50.00 C ATOM 0 H ILE A 54 2.457 -6.415 -2.783 1.00 10.00 H new ATOM 0 HA ILE A 54 2.336 -4.617 -0.449 1.00 10.00 H new ATOM 0 HB ILE A 54 0.115 -5.307 -2.415 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.374 -2.629 -1.733 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.789 -3.583 -3.144 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.296 -3.826 -1.040 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.729 -5.239 -0.118 1.00 50.00 H new ATOM 0 HG23 ILE A 54 0.034 -3.650 0.128 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.208 -1.812 -3.717 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.533 -3.412 -3.958 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -0.953 -2.443 -2.526 1.00 50.00 H new ATOM 845 N PHE A 55 1.339 -6.387 1.004 1.00 10.00 N ATOM 846 CA PHE A 55 0.851 -7.448 1.876 1.00 10.00 C ATOM 847 C PHE A 55 -0.312 -6.965 2.731 1.00 10.00 C ATOM 848 O PHE A 55 -0.216 -5.943 3.408 1.00 50.00 O ATOM 849 CB PHE A 55 1.980 -7.968 2.769 1.00 50.00 C ATOM 850 CG PHE A 55 1.554 -9.057 3.713 1.00 50.00 C ATOM 851 CD1 PHE A 55 1.185 -10.304 3.231 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.521 -8.837 5.080 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.792 -11.306 4.097 1.00 50.00 C ATOM 854 CE2 PHE A 55 1.131 -9.837 5.949 1.00 50.00 C ATOM 855 CZ PHE A 55 0.766 -11.074 5.456 1.00 50.00 C ATOM 0 H PHE A 55 1.632 -5.541 1.493 1.00 10.00 H new ATOM 0 HA PHE A 55 0.495 -8.262 1.245 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.787 -8.342 2.138 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.386 -7.137 3.347 1.00 50.00 H new ATOM 0 HD1 PHE A 55 1.205 -10.494 2.168 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.804 -7.871 5.471 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.505 -12.272 3.709 1.00 50.00 H new ATOM 0 HE2 PHE A 55 1.112 -9.652 7.013 1.00 50.00 H new ATOM 0 HZ PHE A 55 0.461 -11.858 6.133 1.00 50.00 H new ATOM 865 N HIS A 56 -1.414 -7.708 2.695 1.00 10.00 N ATOM 866 CA HIS A 56 -2.585 -7.380 3.500 1.00 10.00 C ATOM 867 C HIS A 56 -2.665 -8.260 4.742 1.00 10.00 C ATOM 868 O HIS A 56 -2.632 -9.487 4.648 1.00 50.00 O ATOM 869 CB HIS A 56 -3.867 -7.527 2.674 1.00 50.00 C ATOM 870 CG HIS A 56 -5.118 -7.272 3.455 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.295 -7.951 3.217 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.378 -6.414 4.470 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.224 -7.521 4.053 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.693 -6.590 4.822 1.00 50.00 N ATOM 0 H HIS A 56 -1.520 -8.541 2.117 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.485 -6.343 3.819 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.828 -6.836 1.832 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -3.908 -8.534 2.258 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -4.681 -5.721 4.918 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.244 -7.872 4.099 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.181 -6.082 5.560 1.00 50.00 H new ATOM 882 N VAL A 57 -2.767 -7.626 5.904 1.00 10.00 N ATOM 883 CA VAL A 57 -2.976 -8.346 7.155 1.00 10.00 C ATOM 884 C VAL A 57 -3.889 -7.569 8.094 1.00 10.00 C ATOM 885 O VAL A 57 -3.721 -6.365 8.283 1.00 50.00 O ATOM 886 CB VAL A 57 -1.642 -8.632 7.871 1.00 50.00 C ATOM 887 CG1 VAL A 57 -0.882 -7.336 8.117 1.00 50.00 C ATOM 888 CG2 VAL A 57 -1.887 -9.361 9.182 1.00 50.00 C ATOM 0 H VAL A 57 -2.708 -6.613 6.006 1.00 10.00 H new ATOM 0 HA VAL A 57 -3.450 -9.293 6.896 1.00 10.00 H new ATOM 0 HB VAL A 57 -1.036 -9.272 7.229 1.00 50.00 H new ATOM 0 HG11 VAL A 57 0.058 -7.556 8.623 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -0.675 -6.849 7.164 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -1.484 -6.674 8.740 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -0.934 -9.555 9.674 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -2.511 -8.745 9.830 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -2.392 -10.306 8.984 1.00 50.00 H new ATOM 898 N MET A 58 -4.856 -8.265 8.679 1.00 10.00 N ATOM 899 CA MET A 58 -5.864 -7.623 9.517 1.00 10.00 C ATOM 900 C MET A 58 -6.698 -6.633 8.714 1.00 10.00 C ATOM 901 O MET A 58 -7.286 -6.988 7.692 1.00 50.00 O ATOM 902 CB MET A 58 -5.196 -6.918 10.696 1.00 50.00 C ATOM 903 CG MET A 58 -6.124 -6.646 11.873 1.00 50.00 C ATOM 904 SD MET A 58 -5.312 -5.733 13.201 1.00 75.00 S ATOM 905 CE MET A 58 -4.167 -6.969 13.807 1.00 75.00 C ATOM 0 H MET A 58 -4.964 -9.275 8.589 1.00 10.00 H new ATOM 0 HA MET A 58 -6.532 -8.396 9.896 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.360 -7.526 11.041 1.00 50.00 H new ATOM 0 HB3 MET A 58 -4.781 -5.972 10.350 1.00 50.00 H new ATOM 0 HG2 MET A 58 -6.989 -6.082 11.526 1.00 50.00 H new ATOM 0 HG3 MET A 58 -6.497 -7.593 12.263 1.00 50.00 H new ATOM 0 HE1 MET A 58 -3.771 -6.656 14.773 1.00 75.00 H new ATOM 0 HE2 MET A 58 -4.685 -7.921 13.919 1.00 75.00 H new ATOM 0 HE3 MET A 58 -3.346 -7.083 13.099 1.00 75.00 H new ATOM 915 N ASP A 59 -6.745 -5.391 9.182 1.00 10.00 N ATOM 916 CA ASP A 59 -7.467 -4.335 8.482 1.00 10.00 C ATOM 917 C ASP A 59 -6.536 -3.190 8.102 1.00 10.00 C ATOM 918 O ASP A 59 -6.953 -2.033 8.045 1.00 50.00 O ATOM 919 CB ASP A 59 -8.621 -3.812 9.341 1.00 50.00 C ATOM 920 CG ASP A 59 -8.191 -3.212 10.673 1.00 50.00 C ATOM 921 OD1 ASP A 59 -7.024 -3.275 10.983 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.996 -2.562 11.296 1.00 50.00 O ATOM 0 H ASP A 59 -6.291 -5.090 10.044 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.875 -4.762 7.566 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -9.166 -3.057 8.775 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.316 -4.630 9.532 1.00 50.00 H new ATOM 927 N PHE A 60 -5.275 -3.520 7.845 1.00 10.00 N ATOM 928 CA PHE A 60 -4.295 -2.527 7.419 1.00 10.00 C ATOM 929 C PHE A 60 -3.350 -3.100 6.372 1.00 10.00 C ATOM 930 O PHE A 60 -3.236 -4.318 6.224 1.00 50.00 O ATOM 931 CB PHE A 60 -3.500 -2.011 8.620 1.00 50.00 C ATOM 932 CG PHE A 60 -2.607 -3.044 9.244 1.00 50.00 C ATOM 933 CD1 PHE A 60 -1.304 -3.217 8.799 1.00 50.00 C ATOM 934 CD2 PHE A 60 -3.066 -3.848 10.278 1.00 50.00 C ATOM 935 CE1 PHE A 60 -0.481 -4.167 9.372 1.00 50.00 C ATOM 936 CE2 PHE A 60 -2.246 -4.797 10.853 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.952 -4.957 10.400 1.00 50.00 C ATOM 0 H PHE A 60 -4.907 -4.468 7.924 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.837 -1.695 6.969 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.893 -1.162 8.305 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -4.196 -1.643 9.374 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -0.929 -2.601 7.995 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -4.078 -3.729 10.637 1.00 50.00 H new ATOM 0 HE1 PHE A 60 0.531 -4.291 9.015 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -2.617 -5.415 11.658 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.309 -5.699 10.850 1.00 50.00 H new ATOM 947 N ILE A 61 -2.673 -2.217 5.647 1.00 10.00 N ATOM 948 CA ILE A 61 -1.890 -2.620 4.483 1.00 10.00 C ATOM 949 C ILE A 61 -0.410 -2.325 4.685 1.00 10.00 C ATOM 950 O ILE A 61 -0.036 -1.228 5.102 1.00 50.00 O ATOM 951 CB ILE A 61 -2.376 -1.912 3.204 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.858 -2.206 2.961 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.541 -2.341 2.009 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.153 -3.663 2.680 1.00 50.00 C ATOM 0 H ILE A 61 -2.650 -1.217 5.844 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.029 -3.695 4.367 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.257 -0.837 3.336 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.429 -1.891 3.834 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.205 -1.606 2.120 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -1.898 -1.831 1.114 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.497 -2.081 2.183 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.629 -3.419 1.872 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.223 -3.793 2.518 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -3.610 -3.979 1.789 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -3.838 -4.268 3.530 1.00 50.00 H new ATOM 966 N SER A 62 0.430 -3.310 4.389 1.00 10.00 N ATOM 967 CA SER A 62 1.875 -3.117 4.412 1.00 10.00 C ATOM 968 C SER A 62 2.446 -3.054 3.001 1.00 10.00 C ATOM 969 O SER A 62 2.412 -4.038 2.263 1.00 50.00 O ATOM 970 CB SER A 62 2.537 -4.231 5.199 1.00 50.00 C ATOM 971 OG SER A 62 3.934 -4.123 5.191 1.00 50.00 O ATOM 0 H SER A 62 0.135 -4.251 4.130 1.00 10.00 H new ATOM 0 HA SER A 62 2.082 -2.164 4.900 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.178 -4.210 6.228 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.246 -5.194 4.779 1.00 50.00 H new ATOM 0 HG SER A 62 4.322 -4.858 5.710 1.00 50.00 H new ATOM 977 N VAL A 63 2.967 -1.890 2.630 1.00 10.00 N ATOM 978 CA VAL A 63 3.425 -1.653 1.268 1.00 10.00 C ATOM 979 C VAL A 63 4.941 -1.527 1.210 1.00 10.00 C ATOM 980 O VAL A 63 5.532 -0.706 1.911 1.00 50.00 O ATOM 981 CB VAL A 63 2.791 -0.384 0.670 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.328 -0.131 -0.731 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.275 -0.507 0.642 1.00 50.00 C ATOM 0 H VAL A 63 3.083 -1.094 3.257 1.00 10.00 H new ATOM 0 HA VAL A 63 3.113 -2.515 0.679 1.00 10.00 H new ATOM 0 HB VAL A 63 3.057 0.464 1.302 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.870 0.770 -1.139 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.409 -0.000 -0.688 1.00 50.00 H new ATOM 0 HG13 VAL A 63 3.090 -0.981 -1.371 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.844 0.399 0.216 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.991 -1.365 0.033 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.902 -0.644 1.657 1.00 50.00 H new ATOM 993 N ASP A 64 5.568 -2.345 0.370 1.00 10.00 N ATOM 994 CA ASP A 64 7.014 -2.309 0.203 1.00 10.00 C ATOM 995 C ASP A 64 7.396 -1.778 -1.173 1.00 10.00 C ATOM 996 O ASP A 64 6.925 -2.277 -2.195 1.00 50.00 O ATOM 997 CB ASP A 64 7.614 -3.702 0.411 1.00 50.00 C ATOM 998 CG ASP A 64 9.134 -3.751 0.333 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.729 -2.735 0.059 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.696 -4.755 0.699 1.00 50.00 O ATOM 0 H ASP A 64 5.095 -3.041 -0.206 1.00 10.00 H new ATOM 0 HA ASP A 64 7.418 -1.633 0.956 1.00 10.00 H new ATOM 0 HB2 ASP A 64 7.300 -4.078 1.385 1.00 50.00 H new ATOM 0 HB3 ASP A 64 7.202 -4.377 -0.339 1.00 50.00 H new ATOM 1005 N LYS A 65 8.253 -0.762 -1.193 1.00 10.00 N ATOM 1006 CA LYS A 65 8.653 -0.122 -2.440 1.00 10.00 C ATOM 1007 C LYS A 65 9.989 -0.661 -2.934 1.00 10.00 C ATOM 1008 O LYS A 65 10.592 -1.527 -2.299 1.00 50.00 O ATOM 1009 CB LYS A 65 8.733 1.395 -2.262 1.00 50.00 C ATOM 1010 CG LYS A 65 9.832 1.859 -1.313 1.00 50.00 C ATOM 1011 CD LYS A 65 10.001 3.370 -1.361 1.00 50.00 C ATOM 1012 CE LYS A 65 11.020 3.846 -0.336 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.409 3.475 -0.720 1.00 50.00 N ATOM 0 H LYS A 65 8.684 -0.364 -0.358 1.00 10.00 H new ATOM 0 HA LYS A 65 7.895 -0.352 -3.189 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.893 1.855 -3.237 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.773 1.757 -1.892 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.592 1.550 -0.296 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.773 1.377 -1.579 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.319 3.671 -2.359 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.041 3.851 -1.173 1.00 50.00 H new ATOM 0 HE2 LYS A 65 10.950 4.929 -0.230 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.785 3.414 0.637 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.073 3.817 0.004 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.483 2.440 -0.796 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.643 3.908 -1.636 1.00 50.00 H new ATOM 1027 N GLU A 66 10.445 -0.148 -4.070 1.00 10.00 N ATOM 1028 CA GLU A 66 11.763 -0.490 -4.591 1.00 10.00 C ATOM 1029 C GLU A 66 12.850 0.360 -3.944 1.00 10.00 C ATOM 1030 O GLU A 66 12.570 1.422 -3.386 1.00 50.00 O ATOM 1031 CB GLU A 66 11.799 -0.321 -6.112 1.00 50.00 C ATOM 1032 CG GLU A 66 10.886 -1.270 -6.871 1.00 50.00 C ATOM 1033 CD GLU A 66 11.055 -1.119 -8.358 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.771 -0.239 -8.769 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.559 -1.953 -9.079 1.00 50.00 O ATOM 0 H GLU A 66 9.921 0.508 -4.649 1.00 10.00 H new ATOM 0 HA GLU A 66 11.957 -1.534 -4.346 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.523 0.704 -6.358 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.822 -0.467 -6.457 1.00 50.00 H new ATOM 0 HG2 GLU A 66 11.104 -2.298 -6.581 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.849 -1.075 -6.599 1.00 50.00 H new ATOM 1042 N ASN A 67 14.088 -0.111 -4.021 1.00 10.00 N ATOM 1043 CA ASN A 67 15.214 0.585 -3.410 1.00 10.00 C ATOM 1044 C ASN A 67 15.425 1.953 -4.043 1.00 10.00 C ATOM 1045 O ASN A 67 15.711 2.930 -3.352 1.00 50.00 O ATOM 1046 CB ASN A 67 16.487 -0.234 -3.495 1.00 50.00 C ATOM 1047 CG ASN A 67 16.509 -1.419 -2.570 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.765 -1.476 -1.584 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.414 -2.327 -2.835 1.00 50.00 N ATOM 0 H ASN A 67 14.339 -0.975 -4.502 1.00 10.00 H new ATOM 0 HA ASN A 67 14.971 0.725 -2.357 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.616 -0.582 -4.520 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.337 0.409 -3.267 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.530 -3.128 -2.214 1.00 50.00 H new ATOM 0 HD22 ASN A 67 18.003 -2.233 -3.662 1.00 50.00 H new ATOM 1056 N ASP A 68 15.283 2.017 -5.363 1.00 10.00 N ATOM 1057 CA ASP A 68 15.429 3.272 -6.089 1.00 10.00 C ATOM 1058 C ASP A 68 14.272 4.218 -5.794 1.00 10.00 C ATOM 1059 O ASP A 68 14.467 5.423 -5.634 1.00 50.00 O ATOM 1060 CB ASP A 68 15.525 3.013 -7.594 1.00 50.00 C ATOM 1061 CG ASP A 68 16.845 2.404 -8.046 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.771 2.398 -7.268 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.876 1.812 -9.097 1.00 50.00 O ATOM 0 H ASP A 68 15.067 1.213 -5.952 1.00 10.00 H new ATOM 0 HA ASP A 68 16.351 3.746 -5.752 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.713 2.348 -7.888 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.374 3.954 -8.122 1.00 50.00 H new ATOM 1068 N ALA A 69 13.066 3.665 -5.723 1.00 10.00 N ATOM 1069 CA ALA A 69 11.870 4.463 -5.477 1.00 10.00 C ATOM 1070 C ALA A 69 11.946 5.166 -4.127 1.00 10.00 C ATOM 1071 O ALA A 69 12.706 4.762 -3.247 1.00 50.00 O ATOM 1072 CB ALA A 69 10.627 3.591 -5.555 1.00 50.00 C ATOM 0 H ALA A 69 12.891 2.666 -5.832 1.00 10.00 H new ATOM 0 HA ALA A 69 11.809 5.229 -6.250 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.743 4.201 -5.369 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.558 3.144 -6.547 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.688 2.802 -4.805 1.00 50.00 H new ATOM 1078 N ASN A 70 11.152 6.220 -3.969 1.00 10.00 N ATOM 1079 CA ASN A 70 11.053 6.921 -2.696 1.00 10.00 C ATOM 1080 C ASN A 70 9.601 7.061 -2.255 1.00 10.00 C ATOM 1081 O ASN A 70 8.690 7.070 -3.083 1.00 50.00 O ATOM 1082 CB ASN A 70 11.715 8.284 -2.759 1.00 50.00 C ATOM 1083 CG ASN A 70 13.197 8.226 -3.015 1.00 50.00 C ATOM 1084 OD1 ASN A 70 13.981 7.825 -2.147 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.589 8.701 -4.169 1.00 50.00 N ATOM 0 H ASN A 70 10.567 6.607 -4.709 1.00 10.00 H new ATOM 0 HA ASN A 70 11.582 6.320 -1.957 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.242 8.872 -3.546 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.538 8.808 -1.820 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.584 8.754 -4.387 1.00 50.00 H new ATOM 0 HD22 ASN A 70 12.900 9.019 -4.850 1.00 50.00 H new ATOM 1092 N TRP A 71 9.393 7.170 -0.947 1.00 10.00 N ATOM 1093 CA TRP A 71 8.058 7.382 -0.399 1.00 10.00 C ATOM 1094 C TRP A 71 7.556 8.789 -0.702 1.00 10.00 C ATOM 1095 O TRP A 71 6.354 9.052 -0.660 1.00 50.00 O ATOM 1096 CB TRP A 71 8.058 7.140 1.110 1.00 50.00 C ATOM 1097 CG TRP A 71 8.243 5.701 1.484 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.194 5.191 2.318 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.459 4.586 1.041 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.054 3.830 2.421 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.993 3.433 1.644 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.355 4.453 0.190 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.467 2.170 1.427 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.829 3.186 -0.027 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.367 2.078 0.574 1.00 50.00 C ATOM 0 H TRP A 71 10.132 7.115 -0.246 1.00 10.00 H new ATOM 0 HA TRP A 71 7.384 6.669 -0.874 1.00 10.00 H new ATOM 0 HB2 TRP A 71 8.853 7.731 1.565 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.117 7.498 1.527 1.00 50.00 H new ATOM 0 HD1 TRP A 71 9.949 5.774 2.824 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.642 3.214 2.983 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.921 5.319 -0.288 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.890 1.295 1.898 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.979 3.072 -0.683 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.929 1.110 0.383 1.00 50.00 H new ATOM 1116 N GLU A 72 8.484 9.689 -1.009 1.00 10.00 N ATOM 1117 CA GLU A 72 8.134 11.060 -1.362 1.00 10.00 C ATOM 1118 C GLU A 72 7.160 11.096 -2.534 1.00 10.00 C ATOM 1119 O GLU A 72 6.254 11.928 -2.574 1.00 50.00 O ATOM 1120 CB GLU A 72 9.392 11.864 -1.699 1.00 50.00 C ATOM 1121 CG GLU A 72 10.279 12.174 -0.503 1.00 50.00 C ATOM 1122 CD GLU A 72 11.540 12.876 -0.924 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.733 13.053 -2.103 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.254 13.338 -0.066 1.00 75.00 O ATOM 0 H GLU A 72 9.485 9.493 -1.020 1.00 10.00 H new ATOM 0 HA GLU A 72 7.645 11.512 -0.499 1.00 10.00 H new ATOM 0 HB2 GLU A 72 9.976 11.311 -2.435 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.094 12.802 -2.168 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.733 12.797 0.205 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.531 11.249 0.015 1.00 50.00 H new ATOM 1131 N THR A 73 7.353 10.188 -3.484 1.00 10.00 N ATOM 1132 CA THR A 73 6.442 10.059 -4.615 1.00 10.00 C ATOM 1133 C THR A 73 5.281 9.129 -4.285 1.00 10.00 C ATOM 1134 O THR A 73 4.118 9.480 -4.480 1.00 50.00 O ATOM 1135 CB THR A 73 7.168 9.531 -5.866 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.193 10.455 -6.253 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.188 9.356 -7.017 1.00 50.00 C ATOM 0 H THR A 73 8.132 9.530 -3.493 1.00 10.00 H new ATOM 0 HA THR A 73 6.056 11.057 -4.823 1.00 10.00 H new ATOM 0 HB THR A 73 7.612 8.564 -5.629 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.655 10.117 -7.048 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.718 8.982 -7.893 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.414 8.644 -6.731 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.729 10.316 -7.253 1.00 50.00 H new ATOM 1145 N VAL A 74 5.604 7.942 -3.782 1.00 10.00 N ATOM 1146 CA VAL A 74 4.622 6.872 -3.650 1.00 10.00 C ATOM 1147 C VAL A 74 3.585 7.205 -2.586 1.00 10.00 C ATOM 1148 O VAL A 74 2.384 7.049 -2.805 1.00 50.00 O ATOM 1149 CB VAL A 74 5.291 5.530 -3.301 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.240 4.476 -2.990 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.186 5.067 -4.440 1.00 50.00 C ATOM 0 H VAL A 74 6.540 7.697 -3.459 1.00 10.00 H new ATOM 0 HA VAL A 74 4.128 6.778 -4.617 1.00 10.00 H new ATOM 0 HB VAL A 74 5.909 5.675 -2.415 1.00 50.00 H new ATOM 0 HG11 VAL A 74 4.731 3.534 -2.746 1.00 50.00 H new ATOM 0 HG12 VAL A 74 3.637 4.802 -2.142 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.597 4.335 -3.859 1.00 50.00 H new ATOM 0 HG21 VAL A 74 6.650 4.117 -4.175 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.589 4.940 -5.343 1.00 50.00 H new ATOM 0 HG23 VAL A 74 6.961 5.812 -4.619 1.00 50.00 H new ATOM 1161 N LEU A 75 4.056 7.664 -1.431 1.00 10.00 N ATOM 1162 CA LEU A 75 3.224 7.728 -0.236 1.00 10.00 C ATOM 1163 C LEU A 75 1.993 8.591 -0.468 1.00 50.00 C ATOM 1164 O LEU A 75 0.865 8.159 -0.227 1.00 50.00 O ATOM 1165 CB LEU A 75 4.038 8.268 0.947 1.00 50.00 C ATOM 1166 CG LEU A 75 3.329 8.211 2.306 1.00 50.00 C ATOM 1167 CD1 LEU A 75 4.355 8.240 3.431 1.00 50.00 C ATOM 1168 CD2 LEU A 75 2.364 9.381 2.427 1.00 50.00 C ATOM 0 H LEU A 75 5.011 7.997 -1.298 1.00 10.00 H new ATOM 0 HA LEU A 75 2.887 6.718 -0.004 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.968 7.703 1.016 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.309 9.303 0.739 1.00 50.00 H new ATOM 0 HG LEU A 75 2.764 7.282 2.382 1.00 50.00 H new ATOM 0 HD11 LEU A 75 3.842 8.199 4.392 1.00 50.00 H new ATOM 0 HD12 LEU A 75 5.021 7.382 3.338 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.937 9.160 3.369 1.00 50.00 H new ATOM 0 HD21 LEU A 75 1.861 9.339 3.393 1.00 50.00 H new ATOM 0 HD22 LEU A 75 2.916 10.318 2.345 1.00 50.00 H new ATOM 0 HD23 LEU A 75 1.623 9.326 1.629 1.00 50.00 H new ATOM 1180 N PRO A 76 2.213 9.814 -0.939 1.00 50.00 N ATOM 1181 CA PRO A 76 1.124 10.759 -1.160 1.00 50.00 C ATOM 1182 C PRO A 76 0.129 10.223 -2.181 1.00 50.00 C ATOM 1183 O PRO A 76 -1.076 10.452 -2.068 1.00 50.00 O ATOM 1184 CB PRO A 76 1.824 12.031 -1.648 1.00 50.00 C ATOM 1185 CG PRO A 76 3.153 11.561 -2.129 1.00 50.00 C ATOM 1186 CD PRO A 76 3.550 10.454 -1.189 1.00 50.00 C ATOM 0 HA PRO A 76 0.534 10.941 -0.262 1.00 50.00 H new ATOM 0 HB2 PRO A 76 1.260 12.513 -2.446 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.927 12.761 -0.845 1.00 50.00 H new ATOM 0 HG2 PRO A 76 3.094 11.202 -3.156 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.884 12.369 -2.115 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.263 9.763 -1.640 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.007 10.831 -0.274 1.00 50.00 H new ATOM 1194 N LYS A 77 0.639 9.510 -3.178 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.209 8.893 -4.193 1.00 50.00 C ATOM 1196 C LYS A 77 -1.061 7.781 -3.595 1.00 50.00 C ATOM 1197 O LYS A 77 -2.255 7.680 -3.878 1.00 50.00 O ATOM 1198 CB LYS A 77 0.641 8.347 -5.341 1.00 50.00 C ATOM 1199 CG LYS A 77 1.265 9.415 -6.227 1.00 50.00 C ATOM 1200 CD LYS A 77 2.059 8.797 -7.368 1.00 50.00 C ATOM 1201 CE LYS A 77 2.653 9.864 -8.273 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.387 9.271 -9.424 1.00 50.00 N ATOM 0 H LYS A 77 1.637 9.344 -3.306 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.877 9.661 -4.583 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.436 7.728 -4.925 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.021 7.697 -5.959 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.482 10.056 -6.632 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.919 10.049 -5.629 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.858 8.176 -6.963 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.411 8.143 -7.951 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.857 10.509 -8.644 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.331 10.493 -7.696 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.777 10.032 -10.016 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.163 8.675 -9.071 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.735 8.691 -9.990 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.441 6.947 -2.768 1.00 50.00 N ATOM 1217 CA VAL A 78 -1.156 5.879 -2.078 1.00 50.00 C ATOM 1218 C VAL A 78 -2.235 6.441 -1.163 1.00 50.00 C ATOM 1219 O VAL A 78 -3.361 5.942 -1.135 1.00 50.00 O ATOM 1220 CB VAL A 78 -0.198 5.002 -1.251 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.984 4.038 -0.372 1.00 50.00 C ATOM 1222 CG2 VAL A 78 0.748 4.236 -2.162 1.00 50.00 C ATOM 0 H VAL A 78 0.556 6.990 -2.559 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.623 5.264 -2.847 1.00 50.00 H new ATOM 0 HB VAL A 78 0.395 5.653 -0.609 1.00 50.00 H new ATOM 0 HG11 VAL A 78 -0.292 3.426 0.206 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.622 4.603 0.307 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.601 3.395 -0.999 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.417 3.622 -1.559 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.171 3.596 -2.830 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.335 4.940 -2.752 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.886 7.481 -0.413 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.845 8.164 0.447 1.00 50.00 C ATOM 1234 C GLU A 79 -4.059 8.631 -0.346 1.00 50.00 C ATOM 1235 O GLU A 79 -5.196 8.507 0.111 1.00 50.00 O ATOM 1236 CB GLU A 79 -2.186 9.352 1.148 1.00 50.00 C ATOM 1237 CG GLU A 79 -3.092 10.086 2.126 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.356 11.196 2.823 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -1.188 11.362 2.568 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.989 11.952 3.525 1.00 50.00 O ATOM 0 H GLU A 79 -0.944 7.870 -0.384 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.183 7.453 1.201 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.304 8.999 1.683 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.840 10.058 0.393 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.951 10.494 1.593 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.479 9.384 2.864 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.812 9.168 -1.536 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.887 9.612 -2.415 1.00 50.00 C ATOM 1249 C ALA A 80 -5.835 8.467 -2.747 1.00 50.00 C ATOM 1250 O ALA A 80 -7.051 8.652 -2.808 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.315 10.216 -3.689 1.00 50.00 C ATOM 0 H ALA A 80 -2.875 9.306 -1.914 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.457 10.378 -1.889 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.130 10.543 -4.335 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.687 11.071 -3.437 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.717 9.468 -4.210 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.273 7.282 -2.960 1.00 50.00 N ATOM 1258 CA VAL A 81 -6.062 6.116 -3.341 1.00 50.00 C ATOM 1259 C VAL A 81 -7.222 5.899 -2.378 1.00 50.00 C ATOM 1260 O VAL A 81 -8.358 5.680 -2.799 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.200 4.841 -3.388 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.079 3.609 -3.542 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.192 4.920 -4.523 1.00 50.00 C ATOM 0 H VAL A 81 -4.272 7.103 -2.875 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.454 6.314 -4.339 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.654 4.760 -2.448 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.453 2.717 -3.573 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.763 3.542 -2.696 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.651 3.684 -4.467 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.592 4.010 -4.541 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.719 5.025 -5.471 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.541 5.781 -4.372 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.930 5.958 -1.083 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.938 5.726 -0.057 1.00 50.00 C ATOM 1275 C PHE A 82 -8.811 6.958 0.146 1.00 50.00 C ATOM 1276 O PHE A 82 -10.000 6.846 0.443 1.00 50.00 O ATOM 1277 CB PHE A 82 -7.277 5.326 1.262 1.00 50.00 C ATOM 1278 CG PHE A 82 -6.429 4.090 1.165 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -7.012 2.841 1.015 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -5.046 4.175 1.221 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -6.233 1.703 0.927 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -4.265 3.039 1.131 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.857 1.802 0.986 1.00 50.00 C ATOM 0 H PHE A 82 -6.000 6.165 -0.719 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.576 4.909 -0.395 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.659 6.152 1.613 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -8.052 5.166 2.012 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -8.088 2.757 0.966 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.574 5.140 1.336 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.700 0.736 0.812 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -3.189 3.120 1.174 1.00 50.00 H new ATOM 0 HZ PHE A 82 -4.246 0.914 0.919 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.213 8.134 -0.016 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.943 9.389 0.118 1.00 50.00 C ATOM 1295 C GLU A 83 -9.628 9.771 -1.188 1.00 50.00 C ATOM 1296 O GLU A 83 -9.354 10.827 -1.758 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.001 10.510 0.564 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.404 10.314 1.950 1.00 50.00 C ATOM 1299 CD GLU A 83 -6.533 11.477 2.340 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -6.364 12.362 1.537 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -6.130 11.536 3.478 1.00 75.00 O ATOM 0 H GLU A 83 -7.224 8.244 -0.240 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.712 9.248 0.877 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.190 10.596 -0.159 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.545 11.454 0.546 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -8.205 10.196 2.680 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.818 9.395 1.969 1.00 50.00 H new