USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1094 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 39:sc= 1.18 USER MOD Set 2.1: A 41 HIS : no HD1:sc= -0.53 K(o=-1.5,f=-2.2) USER MOD Set 2.2: A 134 THR OG1 : rot 108:sc= -1.01 USER MOD Set 3.1: A 33 GLN : amide:sc= -2.91! C(o=-2.9!,f=-3.7!) USER MOD Set 3.2: A 37 GLN :FLIP amide:sc= 0.00481 F(o=-4.5,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.00235 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.0055 USER MOD Single : A 3 SER OG : rot 43:sc= 0.566 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -161:sc= 0.613 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -150:sc= -0.947 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 21 THR OG1 : rot 110:sc= -0.273 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 57:sc= 0.347 USER MOD Single : A 31 THR OG1 : rot -126:sc= 0.547 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.221 USER MOD Single : A 40 THR OG1 : rot -61:sc= -0.221 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -8.71! C(o=-8.7!,f=-13!) USER MOD Single : A 56 MET CE :methyl 143:sc= 0 (180deg=-0.55) USER MOD Single : A 60 ASN : amide:sc= 0.823 K(o=0.82,f=-0.78) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -5:sc= -0.609 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -6.78! C(o=-12!,f=-6.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -4.28! C(o=-4.3!,f=-4.1!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 102 THR OG1 : rot 61:sc= -0.148 USER MOD Single : A 105 CYS SG : rot 180:sc= -3.69 USER MOD Single : A 106 MET CE :methyl -175:sc= -5.31 (180deg=-5.74) USER MOD Single : A 119 THR OG1 : rot 79:sc= 0.882 USER MOD Single : A 121 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.69) USER MOD Single : A 124 GLN : amide:sc= -2.57 K(o=-2.6,f=-3.7!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 162:sc= -1.31! (180deg=-1.83!) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 110:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.056 -15.678 6.851 1.00 0.00 N ATOM 2 CA GLY A 1 21.002 -14.361 7.459 1.00 0.00 C ATOM 3 C GLY A 1 22.372 -13.853 7.862 1.00 0.00 C ATOM 4 O GLY A 1 23.195 -14.609 8.378 1.00 0.00 O ATOM 0 H1 GLY A 1 20.165 -16.182 7.035 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.193 -15.581 5.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.849 -16.215 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.549 -13.659 6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.358 -14.396 8.337 1.00 0.00 H new ATOM 8 N SER A 2 22.618 -12.568 7.626 1.00 0.00 N ATOM 9 CA SER A 2 23.900 -11.961 7.964 1.00 0.00 C ATOM 10 C SER A 2 23.704 -10.559 8.532 1.00 0.00 C ATOM 11 O SER A 2 22.805 -9.828 8.115 1.00 0.00 O ATOM 12 CB SER A 2 24.801 -11.902 6.729 1.00 0.00 C ATOM 13 OG SER A 2 25.415 -13.155 6.485 1.00 0.00 O ATOM 0 H SER A 2 21.947 -11.928 7.202 1.00 0.00 H new ATOM 0 HA SER A 2 24.378 -12.579 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.213 -11.606 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.567 -11.140 6.870 1.00 0.00 H new ATOM 0 HG SER A 2 24.919 -13.859 6.953 1.00 0.00 H new ATOM 19 N SER A 3 24.552 -10.190 9.487 1.00 0.00 N ATOM 20 CA SER A 3 24.470 -8.877 10.116 1.00 0.00 C ATOM 21 C SER A 3 25.769 -8.100 9.922 1.00 0.00 C ATOM 22 O SER A 3 26.724 -8.266 10.680 1.00 0.00 O ATOM 23 CB SER A 3 24.167 -9.021 11.609 1.00 0.00 C ATOM 24 OG SER A 3 25.125 -9.849 12.246 1.00 0.00 O ATOM 0 H SER A 3 25.303 -10.782 9.842 1.00 0.00 H new ATOM 0 HA SER A 3 23.661 -8.323 9.640 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.162 -8.037 12.079 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.171 -9.443 11.742 1.00 0.00 H new ATOM 0 HG SER A 3 26.022 -9.618 11.926 1.00 0.00 H new ATOM 30 N GLY A 4 25.796 -7.250 8.900 1.00 0.00 N ATOM 31 CA GLY A 4 26.981 -6.460 8.623 1.00 0.00 C ATOM 32 C GLY A 4 26.892 -5.724 7.301 1.00 0.00 C ATOM 33 O GLY A 4 27.660 -5.994 6.379 1.00 0.00 O ATOM 0 H GLY A 4 25.018 -7.095 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.129 -5.739 9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.854 -7.112 8.614 1.00 0.00 H new ATOM 37 N SER A 5 25.949 -4.791 7.208 1.00 0.00 N ATOM 38 CA SER A 5 25.758 -4.017 5.987 1.00 0.00 C ATOM 39 C SER A 5 25.395 -2.571 6.311 1.00 0.00 C ATOM 40 O SER A 5 24.516 -2.310 7.132 1.00 0.00 O ATOM 41 CB SER A 5 24.664 -4.648 5.123 1.00 0.00 C ATOM 42 OG SER A 5 24.868 -4.361 3.751 1.00 0.00 O ATOM 0 H SER A 5 25.306 -4.553 7.963 1.00 0.00 H new ATOM 0 HA SER A 5 26.697 -4.022 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.654 -5.727 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.689 -4.274 5.435 1.00 0.00 H new ATOM 0 HG SER A 5 24.157 -4.777 3.221 1.00 0.00 H new ATOM 48 N SER A 6 26.078 -1.635 5.660 1.00 0.00 N ATOM 49 CA SER A 6 25.831 -0.215 5.881 1.00 0.00 C ATOM 50 C SER A 6 24.454 0.184 5.358 1.00 0.00 C ATOM 51 O SER A 6 24.271 0.401 4.161 1.00 0.00 O ATOM 52 CB SER A 6 26.912 0.624 5.197 1.00 0.00 C ATOM 53 OG SER A 6 28.134 0.561 5.911 1.00 0.00 O ATOM 0 H SER A 6 26.807 -1.834 4.975 1.00 0.00 H new ATOM 0 HA SER A 6 25.861 -0.028 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.064 0.267 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.582 1.660 5.126 1.00 0.00 H new ATOM 0 HG SER A 6 28.809 1.104 5.453 1.00 0.00 H new ATOM 59 N GLY A 7 23.488 0.279 6.267 1.00 0.00 N ATOM 60 CA GLY A 7 22.140 0.652 5.880 1.00 0.00 C ATOM 61 C GLY A 7 21.122 -0.418 6.221 1.00 0.00 C ATOM 62 O GLY A 7 21.470 -1.463 6.772 1.00 0.00 O ATOM 0 H GLY A 7 23.615 0.104 7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.866 1.582 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.114 0.846 4.808 1.00 0.00 H new ATOM 66 N ILE A 8 19.860 -0.158 5.894 1.00 0.00 N ATOM 67 CA ILE A 8 18.789 -1.107 6.170 1.00 0.00 C ATOM 68 C ILE A 8 18.282 -1.753 4.885 1.00 0.00 C ATOM 69 O ILE A 8 18.099 -1.095 3.861 1.00 0.00 O ATOM 70 CB ILE A 8 17.608 -0.429 6.891 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.779 -0.536 8.408 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.292 -1.056 6.456 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.473 -0.481 9.169 1.00 0.00 C ATOM 0 H ILE A 8 19.555 0.702 5.438 1.00 0.00 H new ATOM 0 HA ILE A 8 19.208 -1.876 6.819 1.00 0.00 H new ATOM 0 HB ILE A 8 17.593 0.626 6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.288 -1.471 8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.424 0.273 8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.467 -0.567 6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.169 -0.933 5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.296 -2.118 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.671 -0.562 10.238 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.972 0.465 8.964 1.00 0.00 H new ATOM 0 HD13 ILE A 8 15.834 -1.306 8.855 1.00 0.00 H new ATOM 85 N PRO A 9 18.048 -3.073 4.939 1.00 0.00 N ATOM 86 CA PRO A 9 17.557 -3.837 3.789 1.00 0.00 C ATOM 87 C PRO A 9 16.060 -3.650 3.565 1.00 0.00 C ATOM 88 O PRO A 9 15.298 -3.463 4.514 1.00 0.00 O ATOM 89 CB PRO A 9 17.863 -5.287 4.169 1.00 0.00 C ATOM 90 CG PRO A 9 17.841 -5.301 5.659 1.00 0.00 C ATOM 91 CD PRO A 9 18.244 -3.920 6.127 1.00 0.00 C ATOM 0 HA PRO A 9 18.026 -3.518 2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.121 -5.970 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.833 -5.601 3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.847 -5.557 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.527 -6.054 6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.628 -3.586 6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.280 -3.899 6.466 1.00 0.00 H new ATOM 99 N THR A 10 15.644 -3.702 2.304 1.00 0.00 N ATOM 100 CA THR A 10 14.238 -3.537 1.955 1.00 0.00 C ATOM 101 C THR A 10 13.834 -4.490 0.836 1.00 0.00 C ATOM 102 O THR A 10 14.668 -5.219 0.297 1.00 0.00 O ATOM 103 CB THR A 10 13.933 -2.092 1.519 1.00 0.00 C ATOM 104 OG1 THR A 10 14.710 -1.754 0.365 1.00 0.00 O ATOM 105 CG2 THR A 10 14.232 -1.112 2.643 1.00 0.00 C ATOM 0 H THR A 10 16.261 -3.857 1.507 1.00 0.00 H new ATOM 0 HA THR A 10 13.661 -3.767 2.851 1.00 0.00 H new ATOM 0 HB THR A 10 12.873 -2.026 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.509 -0.834 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.009 -0.098 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.617 -1.354 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.285 -1.181 2.915 1.00 0.00 H new ATOM 113 N CYS A 11 12.551 -4.480 0.491 1.00 0.00 N ATOM 114 CA CYS A 11 12.036 -5.344 -0.565 1.00 0.00 C ATOM 115 C CYS A 11 10.829 -4.710 -1.247 1.00 0.00 C ATOM 116 O CYS A 11 10.423 -3.598 -0.907 1.00 0.00 O ATOM 117 CB CYS A 11 11.654 -6.711 0.007 1.00 0.00 C ATOM 118 SG CYS A 11 11.834 -8.077 -1.164 1.00 0.00 S ATOM 0 H CYS A 11 11.848 -3.883 0.927 1.00 0.00 H new ATOM 0 HA CYS A 11 12.822 -5.475 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.272 -6.913 0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.620 -6.674 0.349 1.00 0.00 H new ATOM 0 HG CYS A 11 11.141 -9.097 -0.751 1.00 0.00 H new ATOM 124 N LYS A 12 10.258 -5.422 -2.212 1.00 0.00 N ATOM 125 CA LYS A 12 9.097 -4.930 -2.944 1.00 0.00 C ATOM 126 C LYS A 12 7.825 -5.635 -2.484 1.00 0.00 C ATOM 127 O LYS A 12 7.837 -6.834 -2.200 1.00 0.00 O ATOM 128 CB LYS A 12 9.292 -5.135 -4.448 1.00 0.00 C ATOM 129 CG LYS A 12 8.054 -4.818 -5.270 1.00 0.00 C ATOM 130 CD LYS A 12 8.368 -4.773 -6.755 1.00 0.00 C ATOM 131 CE LYS A 12 8.136 -6.123 -7.415 1.00 0.00 C ATOM 132 NZ LYS A 12 7.937 -5.995 -8.886 1.00 0.00 N ATOM 0 H LYS A 12 10.581 -6.344 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 12 8.995 -3.864 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.115 -4.506 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.584 -6.169 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.288 -5.571 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.643 -3.859 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.745 -4.019 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.405 -4.470 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.988 -6.774 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.262 -6.599 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.782 -6.937 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.109 -5.394 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.781 -5.564 -9.314 1.00 0.00 H new ATOM 146 N ILE A 13 6.730 -4.886 -2.415 1.00 0.00 N ATOM 147 CA ILE A 13 5.451 -5.441 -1.992 1.00 0.00 C ATOM 148 C ILE A 13 4.362 -5.159 -3.022 1.00 0.00 C ATOM 149 O ILE A 13 3.533 -4.266 -2.838 1.00 0.00 O ATOM 150 CB ILE A 13 5.012 -4.872 -0.630 1.00 0.00 C ATOM 151 CG1 ILE A 13 6.026 -5.247 0.454 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.626 -5.381 -0.264 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.116 -6.735 0.708 1.00 0.00 C ATOM 0 H ILE A 13 6.703 -3.893 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 13 5.591 -6.518 -1.898 1.00 0.00 H new ATOM 0 HB ILE A 13 4.970 -3.785 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.009 -4.876 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.756 -4.744 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.330 -4.970 0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.911 -5.069 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.642 -6.469 -0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.853 -6.927 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.144 -7.109 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.416 -7.243 -0.208 1.00 0.00 H new ATOM 165 N THR A 14 4.368 -5.926 -4.107 1.00 0.00 N ATOM 166 CA THR A 14 3.381 -5.760 -5.167 1.00 0.00 C ATOM 167 C THR A 14 2.188 -6.684 -4.957 1.00 0.00 C ATOM 168 O THR A 14 2.312 -7.906 -5.048 1.00 0.00 O ATOM 169 CB THR A 14 3.993 -6.037 -6.553 1.00 0.00 C ATOM 170 OG1 THR A 14 5.321 -5.505 -6.618 1.00 0.00 O ATOM 171 CG2 THR A 14 3.141 -5.423 -7.654 1.00 0.00 C ATOM 0 H THR A 14 5.046 -6.669 -4.275 1.00 0.00 H new ATOM 0 HA THR A 14 3.046 -4.724 -5.127 1.00 0.00 H new ATOM 0 HB THR A 14 4.027 -7.116 -6.701 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.525 -5.245 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.593 -5.632 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.139 -5.852 -7.621 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.079 -4.345 -7.507 1.00 0.00 H new ATOM 179 N LEU A 15 1.031 -6.094 -4.675 1.00 0.00 N ATOM 180 CA LEU A 15 -0.187 -6.865 -4.452 1.00 0.00 C ATOM 181 C LEU A 15 -1.248 -6.519 -5.492 1.00 0.00 C ATOM 182 O LEU A 15 -1.493 -5.347 -5.779 1.00 0.00 O ATOM 183 CB LEU A 15 -0.730 -6.603 -3.046 1.00 0.00 C ATOM 184 CG LEU A 15 0.314 -6.486 -1.935 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.198 -5.593 -0.815 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.679 -7.862 -1.398 1.00 0.00 C ATOM 0 H LEU A 15 0.911 -5.084 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 15 0.059 -7.923 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.312 -5.682 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.418 -7.408 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 15 1.212 -6.032 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.558 -5.521 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.408 -4.599 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.111 -6.019 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.423 -7.759 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.212 -8.344 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.088 -8.471 -2.205 1.00 0.00 H new ATOM 198 N LYS A 16 -1.877 -7.547 -6.052 1.00 0.00 N ATOM 199 CA LYS A 16 -2.915 -7.353 -7.058 1.00 0.00 C ATOM 200 C LYS A 16 -4.232 -7.978 -6.608 1.00 0.00 C ATOM 201 O LYS A 16 -4.378 -9.200 -6.598 1.00 0.00 O ATOM 202 CB LYS A 16 -2.480 -7.962 -8.393 1.00 0.00 C ATOM 203 CG LYS A 16 -1.655 -7.018 -9.251 1.00 0.00 C ATOM 204 CD LYS A 16 -0.169 -7.161 -8.966 1.00 0.00 C ATOM 205 CE LYS A 16 0.464 -8.238 -9.833 1.00 0.00 C ATOM 206 NZ LYS A 16 1.760 -8.711 -9.272 1.00 0.00 N ATOM 0 H LYS A 16 -1.686 -8.523 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.066 -6.281 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.900 -8.864 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.366 -8.266 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.846 -7.222 -10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.965 -5.990 -9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.330 -6.209 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.021 -7.406 -7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.222 -9.081 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.624 -7.848 -10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.159 -9.444 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.423 -7.912 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.604 -9.107 -8.323 1.00 0.00 H new ATOM 220 N GLU A 17 -5.187 -7.131 -6.237 1.00 0.00 N ATOM 221 CA GLU A 17 -6.492 -7.602 -5.786 1.00 0.00 C ATOM 222 C GLU A 17 -7.607 -7.026 -6.655 1.00 0.00 C ATOM 223 O GLU A 17 -7.473 -5.941 -7.220 1.00 0.00 O ATOM 224 CB GLU A 17 -6.720 -7.218 -4.323 1.00 0.00 C ATOM 225 CG GLU A 17 -7.775 -8.063 -3.629 1.00 0.00 C ATOM 226 CD GLU A 17 -7.220 -9.373 -3.104 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.570 -9.357 -2.038 1.00 0.00 O ATOM 228 OE2 GLU A 17 -7.437 -10.413 -3.759 1.00 0.00 O ATOM 0 H GLU A 17 -5.082 -6.116 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.509 -8.688 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.779 -7.310 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.015 -6.170 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.203 -7.496 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.586 -8.270 -4.327 1.00 0.00 H new ATOM 235 N THR A 18 -8.709 -7.763 -6.756 1.00 0.00 N ATOM 236 CA THR A 18 -9.848 -7.328 -7.556 1.00 0.00 C ATOM 237 C THR A 18 -11.009 -6.892 -6.669 1.00 0.00 C ATOM 238 O THR A 18 -11.434 -7.630 -5.780 1.00 0.00 O ATOM 239 CB THR A 18 -10.329 -8.445 -8.501 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.210 -9.037 -9.170 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.310 -7.899 -9.528 1.00 0.00 C ATOM 0 H THR A 18 -8.837 -8.663 -6.294 1.00 0.00 H new ATOM 0 HA THR A 18 -9.511 -6.479 -8.151 1.00 0.00 H new ATOM 0 HB THR A 18 -10.836 -9.203 -7.904 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.524 -9.747 -9.768 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.636 -8.706 -10.184 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.174 -7.476 -9.016 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.823 -7.124 -10.120 1.00 0.00 H new ATOM 249 N PHE A 19 -11.517 -5.690 -6.917 1.00 0.00 N ATOM 250 CA PHE A 19 -12.630 -5.156 -6.140 1.00 0.00 C ATOM 251 C PHE A 19 -13.929 -5.218 -6.937 1.00 0.00 C ATOM 252 O PHE A 19 -13.952 -4.924 -8.133 1.00 0.00 O ATOM 253 CB PHE A 19 -12.342 -3.712 -5.723 1.00 0.00 C ATOM 254 CG PHE A 19 -11.246 -3.589 -4.704 1.00 0.00 C ATOM 255 CD1 PHE A 19 -9.918 -3.726 -5.074 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.544 -3.336 -3.374 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.908 -3.615 -4.138 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.538 -3.223 -2.433 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.218 -3.362 -2.816 1.00 0.00 C ATOM 0 H PHE A 19 -11.176 -5.067 -7.649 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.744 -5.769 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.072 -3.134 -6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.253 -3.270 -5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.669 -3.922 -6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.574 -3.226 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.877 -3.726 -4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.783 -3.026 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.430 -3.273 -2.083 1.00 0.00 H new ATOM 269 N LEU A 20 -15.010 -5.602 -6.267 1.00 0.00 N ATOM 270 CA LEU A 20 -16.314 -5.704 -6.912 1.00 0.00 C ATOM 271 C LEU A 20 -16.974 -4.333 -7.025 1.00 0.00 C ATOM 272 O LEU A 20 -18.188 -4.200 -6.864 1.00 0.00 O ATOM 273 CB LEU A 20 -17.220 -6.655 -6.127 1.00 0.00 C ATOM 274 CG LEU A 20 -16.940 -8.147 -6.304 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.238 -8.581 -7.731 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.498 -8.466 -5.939 1.00 0.00 C ATOM 0 H LEU A 20 -15.009 -5.848 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.165 -6.100 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.136 -6.413 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.253 -6.463 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.596 -8.702 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.033 -9.646 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.287 -8.389 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.609 -8.019 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.317 -9.533 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.826 -7.901 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.317 -8.193 -4.899 1.00 0.00 H new ATOM 288 N THR A 21 -16.166 -3.315 -7.306 1.00 0.00 N ATOM 289 CA THR A 21 -16.671 -1.954 -7.443 1.00 0.00 C ATOM 290 C THR A 21 -15.962 -1.216 -8.572 1.00 0.00 C ATOM 291 O THR A 21 -14.913 -1.651 -9.049 1.00 0.00 O ATOM 292 CB THR A 21 -16.499 -1.157 -6.136 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.302 0.027 -6.175 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.041 -0.781 -5.920 1.00 0.00 C ATOM 0 H THR A 21 -15.159 -3.407 -7.443 1.00 0.00 H new ATOM 0 HA THR A 21 -17.733 -2.033 -7.675 1.00 0.00 H new ATOM 0 HB THR A 21 -16.822 -1.787 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.046 -0.061 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.944 -0.219 -4.991 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.437 -1.686 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.696 -0.168 -6.753 1.00 0.00 H new ATOM 302 N SER A 22 -16.540 -0.096 -8.996 1.00 0.00 N ATOM 303 CA SER A 22 -15.964 0.702 -10.072 1.00 0.00 C ATOM 304 C SER A 22 -14.795 1.539 -9.562 1.00 0.00 C ATOM 305 O SER A 22 -14.733 1.917 -8.392 1.00 0.00 O ATOM 306 CB SER A 22 -17.029 1.612 -10.686 1.00 0.00 C ATOM 307 OG SER A 22 -17.692 0.968 -11.760 1.00 0.00 O ATOM 0 H SER A 22 -17.407 0.279 -8.611 1.00 0.00 H new ATOM 0 HA SER A 22 -15.593 0.021 -10.838 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.755 1.894 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.565 2.532 -11.040 1.00 0.00 H new ATOM 0 HG SER A 22 -18.369 1.570 -12.134 1.00 0.00 H new ATOM 313 N PRO A 23 -13.845 1.837 -10.461 1.00 0.00 N ATOM 314 CA PRO A 23 -12.661 2.634 -10.126 1.00 0.00 C ATOM 315 C PRO A 23 -13.014 3.904 -9.359 1.00 0.00 C ATOM 316 O PRO A 23 -12.603 4.081 -8.213 1.00 0.00 O ATOM 317 CB PRO A 23 -12.070 2.983 -11.494 1.00 0.00 C ATOM 318 CG PRO A 23 -12.532 1.890 -12.396 1.00 0.00 C ATOM 319 CD PRO A 23 -13.855 1.421 -11.873 1.00 0.00 C ATOM 0 HA PRO A 23 -11.975 2.091 -9.476 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.419 3.956 -11.840 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.982 3.031 -11.455 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.628 2.250 -13.420 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.812 1.072 -12.412 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.683 1.875 -12.417 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.963 0.341 -11.971 1.00 0.00 H new ATOM 327 N GLU A 24 -13.778 4.783 -9.999 1.00 0.00 N ATOM 328 CA GLU A 24 -14.186 6.037 -9.376 1.00 0.00 C ATOM 329 C GLU A 24 -14.555 5.821 -7.911 1.00 0.00 C ATOM 330 O GLU A 24 -14.264 6.658 -7.057 1.00 0.00 O ATOM 331 CB GLU A 24 -15.372 6.644 -10.127 1.00 0.00 C ATOM 332 CG GLU A 24 -16.718 6.093 -9.688 1.00 0.00 C ATOM 333 CD GLU A 24 -17.867 6.626 -10.522 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.896 7.848 -10.779 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.737 5.823 -10.917 1.00 0.00 O ATOM 0 H GLU A 24 -14.127 4.650 -10.948 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.344 6.727 -9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.367 7.725 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.246 6.463 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.700 5.005 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.886 6.346 -8.641 1.00 0.00 H new ATOM 342 N GLU A 25 -15.198 4.692 -7.629 1.00 0.00 N ATOM 343 CA GLU A 25 -15.608 4.367 -6.267 1.00 0.00 C ATOM 344 C GLU A 25 -14.394 4.190 -5.361 1.00 0.00 C ATOM 345 O GLU A 25 -14.138 5.011 -4.479 1.00 0.00 O ATOM 346 CB GLU A 25 -16.457 3.094 -6.257 1.00 0.00 C ATOM 347 CG GLU A 25 -17.479 3.053 -5.134 1.00 0.00 C ATOM 348 CD GLU A 25 -18.755 3.796 -5.479 1.00 0.00 C ATOM 349 OE1 GLU A 25 -19.574 3.246 -6.246 1.00 0.00 O ATOM 350 OE2 GLU A 25 -18.936 4.927 -4.983 1.00 0.00 O ATOM 0 H GLU A 25 -15.446 3.988 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.205 5.196 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.975 3.005 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.799 2.229 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.718 2.015 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.042 3.487 -4.234 1.00 0.00 H new ATOM 357 N LEU A 26 -13.649 3.112 -5.584 1.00 0.00 N ATOM 358 CA LEU A 26 -12.461 2.825 -4.787 1.00 0.00 C ATOM 359 C LEU A 26 -11.487 3.999 -4.820 1.00 0.00 C ATOM 360 O LEU A 26 -10.637 4.137 -3.940 1.00 0.00 O ATOM 361 CB LEU A 26 -11.771 1.561 -5.303 1.00 0.00 C ATOM 362 CG LEU A 26 -10.790 0.892 -4.339 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.538 0.214 -3.202 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.917 -0.112 -5.079 1.00 0.00 C ATOM 0 H LEU A 26 -13.847 2.423 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.775 2.666 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.539 0.835 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.236 1.811 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.145 1.661 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.824 -0.257 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.120 0.956 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.207 -0.544 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.225 -0.579 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.547 -0.878 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.353 0.401 -5.858 1.00 0.00 H new ATOM 376 N TYR A 27 -11.619 4.842 -5.837 1.00 0.00 N ATOM 377 CA TYR A 27 -10.751 6.004 -5.984 1.00 0.00 C ATOM 378 C TYR A 27 -10.950 6.983 -4.831 1.00 0.00 C ATOM 379 O TYR A 27 -10.138 7.884 -4.619 1.00 0.00 O ATOM 380 CB TYR A 27 -11.024 6.706 -7.316 1.00 0.00 C ATOM 381 CG TYR A 27 -10.065 7.837 -7.612 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.696 7.677 -7.438 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.529 9.067 -8.063 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.816 8.708 -7.706 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.657 10.103 -8.336 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.301 9.919 -8.155 1.00 0.00 C ATOM 387 OH TYR A 27 -7.429 10.949 -8.424 1.00 0.00 O ATOM 0 H TYR A 27 -12.319 4.743 -6.572 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.718 5.657 -5.968 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.968 5.973 -8.121 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.042 7.096 -7.310 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.313 6.730 -7.087 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.590 9.215 -8.202 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.755 8.567 -7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.034 11.051 -8.689 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.772 10.656 -9.089 1.00 0.00 H new ATOM 397 N ARG A 28 -12.036 6.797 -4.087 1.00 0.00 N ATOM 398 CA ARG A 28 -12.343 7.662 -2.955 1.00 0.00 C ATOM 399 C ARG A 28 -11.894 7.023 -1.644 1.00 0.00 C ATOM 400 O ARG A 28 -11.168 7.634 -0.860 1.00 0.00 O ATOM 401 CB ARG A 28 -13.843 7.957 -2.904 1.00 0.00 C ATOM 402 CG ARG A 28 -14.481 8.110 -4.275 1.00 0.00 C ATOM 403 CD ARG A 28 -15.938 7.672 -4.263 1.00 0.00 C ATOM 404 NE ARG A 28 -16.837 8.770 -3.920 1.00 0.00 N ATOM 405 CZ ARG A 28 -18.078 8.594 -3.480 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.564 7.369 -3.331 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.835 9.643 -3.189 1.00 0.00 N ATOM 0 H ARG A 28 -12.717 6.055 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.800 8.598 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.345 7.152 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.006 8.871 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.415 9.150 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.928 7.517 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.206 7.277 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.067 6.861 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.493 9.725 -4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.985 6.560 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.517 7.236 -2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.465 10.587 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.788 9.506 -2.851 1.00 0.00 H new ATOM 421 N VAL A 29 -12.332 5.790 -1.413 1.00 0.00 N ATOM 422 CA VAL A 29 -11.975 5.067 -0.198 1.00 0.00 C ATOM 423 C VAL A 29 -10.498 5.246 0.134 1.00 0.00 C ATOM 424 O VAL A 29 -10.096 5.151 1.294 1.00 0.00 O ATOM 425 CB VAL A 29 -12.282 3.563 -0.329 1.00 0.00 C ATOM 426 CG1 VAL A 29 -12.129 2.868 1.016 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.680 3.352 -0.891 1.00 0.00 C ATOM 0 H VAL A 29 -12.935 5.271 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.579 5.485 0.608 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.566 3.122 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.350 1.806 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.107 2.990 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.821 3.309 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.880 2.284 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.413 3.806 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.750 3.815 -1.875 1.00 0.00 H new ATOM 437 N PHE A 30 -9.694 5.507 -0.891 1.00 0.00 N ATOM 438 CA PHE A 30 -8.260 5.699 -0.709 1.00 0.00 C ATOM 439 C PHE A 30 -7.915 7.184 -0.639 1.00 0.00 C ATOM 440 O PHE A 30 -6.917 7.574 -0.033 1.00 0.00 O ATOM 441 CB PHE A 30 -7.486 5.037 -1.850 1.00 0.00 C ATOM 442 CG PHE A 30 -7.339 3.550 -1.691 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.411 2.705 -1.931 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.129 2.998 -1.302 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.279 1.337 -1.786 1.00 0.00 C ATOM 446 CE2 PHE A 30 -5.992 1.631 -1.156 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.068 0.799 -1.397 1.00 0.00 C ATOM 0 H PHE A 30 -10.011 5.590 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.973 5.232 0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.994 5.245 -2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.495 5.487 -1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.360 3.120 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.284 3.643 -1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.122 0.689 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.043 1.213 -0.853 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.963 -0.270 -1.282 1.00 0.00 H new ATOM 457 N THR A 31 -8.748 8.009 -1.266 1.00 0.00 N ATOM 458 CA THR A 31 -8.532 9.450 -1.278 1.00 0.00 C ATOM 459 C THR A 31 -9.592 10.172 -0.454 1.00 0.00 C ATOM 460 O THR A 31 -9.867 11.352 -0.674 1.00 0.00 O ATOM 461 CB THR A 31 -8.545 10.008 -2.714 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.861 9.898 -3.270 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.553 9.263 -3.594 1.00 0.00 C ATOM 0 H THR A 31 -9.579 7.703 -1.772 1.00 0.00 H new ATOM 0 HA THR A 31 -7.551 9.626 -0.837 1.00 0.00 H new ATOM 0 HB THR A 31 -8.254 11.058 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.817 9.416 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.581 9.675 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.549 9.373 -3.184 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.818 8.206 -3.626 1.00 0.00 H new ATOM 471 N THR A 32 -10.185 9.457 0.497 1.00 0.00 N ATOM 472 CA THR A 32 -11.215 10.029 1.354 1.00 0.00 C ATOM 473 C THR A 32 -11.035 9.586 2.801 1.00 0.00 C ATOM 474 O THR A 32 -11.327 8.442 3.149 1.00 0.00 O ATOM 475 CB THR A 32 -12.625 9.632 0.878 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.757 9.880 -0.526 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.691 10.409 1.637 1.00 0.00 C ATOM 0 H THR A 32 -9.969 8.480 0.693 1.00 0.00 H new ATOM 0 HA THR A 32 -11.111 11.112 1.294 1.00 0.00 H new ATOM 0 HB THR A 32 -12.764 8.569 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.577 10.390 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.678 10.112 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.607 10.196 2.703 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.552 11.477 1.469 1.00 0.00 H new ATOM 485 N GLN A 33 -10.555 10.498 3.639 1.00 0.00 N ATOM 486 CA GLN A 33 -10.337 10.200 5.050 1.00 0.00 C ATOM 487 C GLN A 33 -11.522 9.439 5.635 1.00 0.00 C ATOM 488 O GLN A 33 -11.388 8.290 6.054 1.00 0.00 O ATOM 489 CB GLN A 33 -10.105 11.491 5.836 1.00 0.00 C ATOM 490 CG GLN A 33 -9.973 11.275 7.335 1.00 0.00 C ATOM 491 CD GLN A 33 -9.622 12.548 8.080 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.308 13.571 7.470 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.675 12.493 9.405 1.00 0.00 N ATOM 0 H GLN A 33 -10.309 11.450 3.366 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.450 9.571 5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.201 11.974 5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.932 12.175 5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.910 10.877 7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.205 10.525 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.940 11.624 9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.451 13.319 9.959 1.00 0.00 H new ATOM 502 N GLU A 34 -12.682 10.089 5.660 1.00 0.00 N ATOM 503 CA GLU A 34 -13.890 9.473 6.195 1.00 0.00 C ATOM 504 C GLU A 34 -13.985 8.008 5.779 1.00 0.00 C ATOM 505 O GLU A 34 -14.007 7.111 6.622 1.00 0.00 O ATOM 506 CB GLU A 34 -15.130 10.232 5.718 1.00 0.00 C ATOM 507 CG GLU A 34 -16.439 9.602 6.164 1.00 0.00 C ATOM 508 CD GLU A 34 -17.652 10.346 5.643 1.00 0.00 C ATOM 509 OE1 GLU A 34 -17.846 11.516 6.034 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.409 9.757 4.842 1.00 0.00 O ATOM 0 H GLU A 34 -12.810 11.041 5.316 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.840 9.520 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.084 11.256 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.115 10.287 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.476 8.568 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.473 9.577 7.253 1.00 0.00 H new ATOM 517 N LEU A 35 -14.040 7.774 4.472 1.00 0.00 N ATOM 518 CA LEU A 35 -14.133 6.418 3.942 1.00 0.00 C ATOM 519 C LEU A 35 -13.079 5.513 4.572 1.00 0.00 C ATOM 520 O LEU A 35 -13.326 4.333 4.819 1.00 0.00 O ATOM 521 CB LEU A 35 -13.967 6.432 2.421 1.00 0.00 C ATOM 522 CG LEU A 35 -14.980 7.272 1.643 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.777 7.101 0.145 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.400 6.895 2.037 1.00 0.00 C ATOM 0 H LEU A 35 -14.022 8.505 3.761 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.118 6.024 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.967 6.798 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.023 5.405 2.060 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.821 8.321 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.507 7.706 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.771 7.422 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.908 6.052 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.108 7.503 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.571 5.841 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.540 7.070 3.104 1.00 0.00 H new ATOM 536 N VAL A 36 -11.903 6.076 4.832 1.00 0.00 N ATOM 537 CA VAL A 36 -10.812 5.321 5.437 1.00 0.00 C ATOM 538 C VAL A 36 -11.136 4.944 6.878 1.00 0.00 C ATOM 539 O VAL A 36 -10.960 3.796 7.283 1.00 0.00 O ATOM 540 CB VAL A 36 -9.495 6.120 5.411 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.334 5.251 5.869 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.238 6.678 4.019 1.00 0.00 C ATOM 0 H VAL A 36 -11.682 7.052 4.633 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.690 4.413 4.846 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.585 6.958 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.412 5.832 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.517 4.905 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.239 4.392 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.304 7.240 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.168 5.857 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.058 7.338 3.734 1.00 0.00 H new ATOM 552 N GLN A 37 -11.613 5.919 7.645 1.00 0.00 N ATOM 553 CA GLN A 37 -11.962 5.689 9.042 1.00 0.00 C ATOM 554 C GLN A 37 -13.127 4.711 9.158 1.00 0.00 C ATOM 555 O GLN A 37 -13.530 4.338 10.259 1.00 0.00 O ATOM 556 CB GLN A 37 -12.320 7.010 9.725 1.00 0.00 C ATOM 557 CG GLN A 37 -11.141 7.678 10.414 1.00 0.00 C ATOM 558 CD GLN A 37 -11.495 9.035 10.990 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.633 10.030 10.122 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.642 9.188 12.203 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.767 6.875 7.323 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.095 5.254 9.540 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.731 7.694 8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.104 6.829 10.460 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.778 7.032 11.213 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.325 7.792 9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.527 8.396 12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.879 10.107 12.576 1.00 0.00 H new ATOM 569 N ALA A 38 -13.664 4.301 8.014 1.00 0.00 N ATOM 570 CA ALA A 38 -14.782 3.365 7.987 1.00 0.00 C ATOM 571 C ALA A 38 -14.289 1.922 7.966 1.00 0.00 C ATOM 572 O ALA A 38 -14.736 1.091 8.758 1.00 0.00 O ATOM 573 CB ALA A 38 -15.670 3.639 6.783 1.00 0.00 C ATOM 0 H ALA A 38 -13.343 4.602 7.094 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.366 3.508 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.500 2.933 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.059 4.656 6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.088 3.525 5.868 1.00 0.00 H new ATOM 579 N PHE A 39 -13.367 1.630 7.055 1.00 0.00 N ATOM 580 CA PHE A 39 -12.815 0.286 6.930 1.00 0.00 C ATOM 581 C PHE A 39 -11.635 0.092 7.878 1.00 0.00 C ATOM 582 O PHE A 39 -11.111 -1.014 8.019 1.00 0.00 O ATOM 583 CB PHE A 39 -12.373 0.025 5.489 1.00 0.00 C ATOM 584 CG PHE A 39 -11.087 0.709 5.122 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.878 0.251 5.619 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.088 1.810 4.281 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.693 0.879 5.284 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.907 2.442 3.942 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.708 1.975 4.443 1.00 0.00 C ATOM 0 H PHE A 39 -12.986 2.306 6.393 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.595 -0.426 7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.259 -1.049 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.159 0.358 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.861 -0.606 6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.023 2.179 3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.757 0.513 5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.922 3.300 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.783 2.466 4.178 1.00 0.00 H new ATOM 599 N THR A 40 -11.220 1.176 8.527 1.00 0.00 N ATOM 600 CA THR A 40 -10.102 1.127 9.460 1.00 0.00 C ATOM 601 C THR A 40 -10.582 1.262 10.901 1.00 0.00 C ATOM 602 O THR A 40 -9.842 0.972 11.842 1.00 0.00 O ATOM 603 CB THR A 40 -9.076 2.239 9.166 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.689 3.524 9.320 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.519 2.102 7.758 1.00 0.00 C ATOM 0 H THR A 40 -11.642 2.099 8.423 1.00 0.00 H new ATOM 0 HA THR A 40 -9.623 0.157 9.329 1.00 0.00 H new ATOM 0 HB THR A 40 -8.254 2.142 9.875 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.429 3.612 8.683 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.797 2.898 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.028 1.135 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.332 2.175 7.036 1.00 0.00 H new ATOM 613 N HIS A 41 -11.824 1.704 11.067 1.00 0.00 N ATOM 614 CA HIS A 41 -12.403 1.876 12.395 1.00 0.00 C ATOM 615 C HIS A 41 -11.363 2.405 13.377 1.00 0.00 C ATOM 616 O HIS A 41 -11.321 1.991 14.535 1.00 0.00 O ATOM 617 CB HIS A 41 -12.972 0.550 12.902 1.00 0.00 C ATOM 618 CG HIS A 41 -13.941 -0.087 11.954 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.309 -0.003 12.106 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.733 -0.821 10.836 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.901 -0.658 11.124 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.967 -1.164 10.339 1.00 0.00 N ATOM 0 H HIS A 41 -12.449 1.950 10.299 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.210 2.605 12.321 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.150 -0.141 13.088 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.469 0.719 13.858 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.775 -1.087 10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.967 -0.762 10.986 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.135 -1.719 9.500 1.00 0.00 H new ATOM 631 N ALA A 42 -10.524 3.322 12.906 1.00 0.00 N ATOM 632 CA ALA A 42 -9.484 3.908 13.743 1.00 0.00 C ATOM 633 C ALA A 42 -9.167 5.334 13.306 1.00 0.00 C ATOM 634 O ALA A 42 -9.302 5.695 12.137 1.00 0.00 O ATOM 635 CB ALA A 42 -8.228 3.050 13.704 1.00 0.00 C ATOM 0 H ALA A 42 -10.544 3.675 11.949 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.854 3.943 14.768 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.460 3.500 14.333 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.459 2.050 14.072 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.864 2.984 12.679 1.00 0.00 H new ATOM 641 N PRO A 43 -8.734 6.165 14.265 1.00 0.00 N ATOM 642 CA PRO A 43 -8.388 7.566 14.003 1.00 0.00 C ATOM 643 C PRO A 43 -7.482 7.721 12.786 1.00 0.00 C ATOM 644 O PRO A 43 -6.259 7.649 12.899 1.00 0.00 O ATOM 645 CB PRO A 43 -7.654 7.994 15.275 1.00 0.00 C ATOM 646 CG PRO A 43 -8.185 7.097 16.340 1.00 0.00 C ATOM 647 CD PRO A 43 -8.549 5.803 15.680 1.00 0.00 C ATOM 0 HA PRO A 43 -9.268 8.169 13.780 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.575 7.883 15.166 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.845 9.041 15.508 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.438 6.937 17.117 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.055 7.543 16.821 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.763 5.058 15.802 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.459 5.380 16.106 1.00 0.00 H new ATOM 655 N ALA A 44 -8.090 7.934 11.624 1.00 0.00 N ATOM 656 CA ALA A 44 -7.337 8.102 10.388 1.00 0.00 C ATOM 657 C ALA A 44 -7.517 9.507 9.822 1.00 0.00 C ATOM 658 O ALA A 44 -8.620 10.055 9.830 1.00 0.00 O ATOM 659 CB ALA A 44 -7.764 7.060 9.364 1.00 0.00 C ATOM 0 H ALA A 44 -9.102 7.994 11.513 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.280 7.962 10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.193 7.197 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.578 6.062 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.827 7.173 9.151 1.00 0.00 H new ATOM 665 N THR A 45 -6.426 10.086 9.330 1.00 0.00 N ATOM 666 CA THR A 45 -6.463 11.428 8.762 1.00 0.00 C ATOM 667 C THR A 45 -5.907 11.439 7.342 1.00 0.00 C ATOM 668 O THR A 45 -4.692 11.452 7.141 1.00 0.00 O ATOM 669 CB THR A 45 -5.664 12.424 9.622 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.307 12.604 10.889 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.536 13.766 8.917 1.00 0.00 C ATOM 0 H THR A 45 -5.506 9.646 9.314 1.00 0.00 H new ATOM 0 HA THR A 45 -7.509 11.735 8.742 1.00 0.00 H new ATOM 0 HB THR A 45 -4.665 12.016 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.791 13.238 11.430 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.968 14.453 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.020 13.630 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.529 14.177 8.735 1.00 0.00 H new ATOM 679 N LEU A 46 -6.803 11.435 6.361 1.00 0.00 N ATOM 680 CA LEU A 46 -6.401 11.445 4.959 1.00 0.00 C ATOM 681 C LEU A 46 -6.651 12.813 4.331 1.00 0.00 C ATOM 682 O LEU A 46 -7.662 13.457 4.607 1.00 0.00 O ATOM 683 CB LEU A 46 -7.161 10.369 4.182 1.00 0.00 C ATOM 684 CG LEU A 46 -6.491 9.864 2.904 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.762 8.381 2.708 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.973 10.660 1.699 1.00 0.00 C ATOM 0 H LEU A 46 -7.812 11.425 6.511 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.333 11.233 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.324 9.518 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.144 10.763 3.922 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.415 10.005 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.277 8.040 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.367 7.824 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.837 8.214 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.486 10.287 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.053 10.551 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.726 11.713 1.836 1.00 0.00 H new ATOM 698 N GLU A 47 -5.722 13.249 3.485 1.00 0.00 N ATOM 699 CA GLU A 47 -5.844 14.539 2.818 1.00 0.00 C ATOM 700 C GLU A 47 -5.576 14.405 1.322 1.00 0.00 C ATOM 701 O GLU A 47 -4.426 14.410 0.883 1.00 0.00 O ATOM 702 CB GLU A 47 -4.872 15.550 3.432 1.00 0.00 C ATOM 703 CG GLU A 47 -5.169 15.871 4.888 1.00 0.00 C ATOM 704 CD GLU A 47 -4.694 17.255 5.288 1.00 0.00 C ATOM 705 OE1 GLU A 47 -5.128 18.238 4.652 1.00 0.00 O ATOM 706 OE2 GLU A 47 -3.889 17.353 6.237 1.00 0.00 O ATOM 0 H GLU A 47 -4.878 12.728 3.246 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.865 14.896 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.857 15.160 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.904 16.472 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.242 15.795 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.690 15.128 5.525 1.00 0.00 H new ATOM 713 N ALA A 48 -6.647 14.286 0.543 1.00 0.00 N ATOM 714 CA ALA A 48 -6.529 14.152 -0.903 1.00 0.00 C ATOM 715 C ALA A 48 -5.901 15.397 -1.520 1.00 0.00 C ATOM 716 O ALA A 48 -6.595 16.369 -1.821 1.00 0.00 O ATOM 717 CB ALA A 48 -7.893 13.884 -1.522 1.00 0.00 C ATOM 0 H ALA A 48 -7.606 14.280 0.890 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.875 13.305 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.789 13.786 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.304 12.961 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.564 14.712 -1.295 1.00 0.00 H new ATOM 723 N ASP A 49 -4.587 15.362 -1.705 1.00 0.00 N ATOM 724 CA ASP A 49 -3.866 16.489 -2.287 1.00 0.00 C ATOM 725 C ASP A 49 -2.402 16.131 -2.528 1.00 0.00 C ATOM 726 O ASP A 49 -1.808 15.363 -1.771 1.00 0.00 O ATOM 727 CB ASP A 49 -3.962 17.710 -1.372 1.00 0.00 C ATOM 728 CG ASP A 49 -3.904 19.016 -2.142 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.599 19.129 -3.173 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.163 19.924 -1.712 1.00 0.00 O ATOM 0 H ASP A 49 -3.998 14.566 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.326 16.727 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.893 17.665 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.148 17.682 -0.647 1.00 0.00 H new ATOM 735 N ARG A 50 -1.827 16.694 -3.586 1.00 0.00 N ATOM 736 CA ARG A 50 -0.434 16.433 -3.927 1.00 0.00 C ATOM 737 C ARG A 50 0.491 16.841 -2.785 1.00 0.00 C ATOM 738 O ARG A 50 0.781 18.023 -2.599 1.00 0.00 O ATOM 739 CB ARG A 50 -0.050 17.185 -5.203 1.00 0.00 C ATOM 740 CG ARG A 50 -0.275 16.382 -6.474 1.00 0.00 C ATOM 741 CD ARG A 50 0.724 16.761 -7.556 1.00 0.00 C ATOM 742 NE ARG A 50 1.938 15.951 -7.488 1.00 0.00 N ATOM 743 CZ ARG A 50 3.088 16.303 -8.051 1.00 0.00 C ATOM 744 NH1 ARG A 50 3.182 17.444 -8.719 1.00 0.00 N ATOM 745 NH2 ARG A 50 4.149 15.513 -7.945 1.00 0.00 N ATOM 0 H ARG A 50 -2.304 17.333 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.322 15.362 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.628 18.107 -5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.000 17.470 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.188 15.318 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.289 16.551 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.261 16.639 -8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.985 17.815 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 50 1.900 15.067 -6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.369 18.055 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.067 17.711 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.082 14.635 -7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.032 15.784 -8.378 1.00 0.00 H new ATOM 759 N GLY A 51 0.951 15.855 -2.021 1.00 0.00 N ATOM 760 CA GLY A 51 1.838 16.132 -0.906 1.00 0.00 C ATOM 761 C GLY A 51 1.136 16.030 0.433 1.00 0.00 C ATOM 762 O GLY A 51 1.756 16.199 1.482 1.00 0.00 O ATOM 0 H GLY A 51 0.725 14.869 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.674 15.433 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.256 17.132 -1.018 1.00 0.00 H new ATOM 766 N GLY A 52 -0.164 15.752 0.398 1.00 0.00 N ATOM 767 CA GLY A 52 -0.931 15.633 1.625 1.00 0.00 C ATOM 768 C GLY A 52 -0.437 14.507 2.510 1.00 0.00 C ATOM 769 O GLY A 52 0.471 13.765 2.136 1.00 0.00 O ATOM 0 H GLY A 52 -0.700 15.607 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.879 16.573 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.980 15.465 1.380 1.00 0.00 H new ATOM 773 N LYS A 53 -1.035 14.378 3.690 1.00 0.00 N ATOM 774 CA LYS A 53 -0.651 13.335 4.633 1.00 0.00 C ATOM 775 C LYS A 53 -1.832 12.420 4.943 1.00 0.00 C ATOM 776 O LYS A 53 -2.937 12.888 5.219 1.00 0.00 O ATOM 777 CB LYS A 53 -0.122 13.958 5.927 1.00 0.00 C ATOM 778 CG LYS A 53 1.379 14.188 5.922 1.00 0.00 C ATOM 779 CD LYS A 53 1.797 15.112 4.790 1.00 0.00 C ATOM 780 CE LYS A 53 3.155 15.742 5.057 1.00 0.00 C ATOM 781 NZ LYS A 53 4.247 14.729 5.058 1.00 0.00 N ATOM 0 H LYS A 53 -1.788 14.984 4.016 1.00 0.00 H new ATOM 0 HA LYS A 53 0.138 12.739 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.626 14.910 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.379 13.309 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.686 14.618 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.894 13.233 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.832 14.552 3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.050 15.896 4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.361 16.497 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.135 16.255 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.156 15.199 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.065 14.023 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.284 14.257 4.132 1.00 0.00 H new ATOM 795 N PHE A 54 -1.591 11.114 4.896 1.00 0.00 N ATOM 796 CA PHE A 54 -2.635 10.134 5.172 1.00 0.00 C ATOM 797 C PHE A 54 -2.240 9.232 6.338 1.00 0.00 C ATOM 798 O PHE A 54 -1.257 8.494 6.261 1.00 0.00 O ATOM 799 CB PHE A 54 -2.910 9.286 3.928 1.00 0.00 C ATOM 800 CG PHE A 54 -1.889 8.209 3.699 1.00 0.00 C ATOM 801 CD1 PHE A 54 -2.003 6.983 4.334 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.816 8.422 2.848 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.065 5.988 4.125 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.124 7.431 2.636 1.00 0.00 C ATOM 805 CZ PHE A 54 0.000 6.214 3.276 1.00 0.00 C ATOM 0 H PHE A 54 -0.682 10.710 4.669 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.542 10.674 5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.895 8.828 4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.942 9.937 3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.834 6.802 5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.713 9.372 2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.166 5.036 4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.955 7.609 1.970 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.735 5.440 3.113 1.00 0.00 H new ATOM 815 N HIS A 55 -3.012 9.299 7.417 1.00 0.00 N ATOM 816 CA HIS A 55 -2.744 8.489 8.601 1.00 0.00 C ATOM 817 C HIS A 55 -3.896 7.528 8.874 1.00 0.00 C ATOM 818 O HIS A 55 -5.065 7.905 8.790 1.00 0.00 O ATOM 819 CB HIS A 55 -2.513 9.386 9.817 1.00 0.00 C ATOM 820 CG HIS A 55 -1.486 8.853 10.768 1.00 0.00 C ATOM 821 ND1 HIS A 55 -0.964 7.580 10.676 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.884 9.429 11.835 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.086 7.396 11.646 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.018 8.503 12.363 1.00 0.00 N ATOM 0 H HIS A 55 -3.828 9.905 7.497 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.843 7.904 8.414 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.202 10.374 9.476 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.456 9.514 10.348 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.216 6.889 9.970 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.053 10.430 12.203 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.480 6.493 11.823 1.00 0.00 H new ATOM 833 N MET A 56 -3.559 6.285 9.201 1.00 0.00 N ATOM 834 CA MET A 56 -4.567 5.270 9.487 1.00 0.00 C ATOM 835 C MET A 56 -4.083 4.314 10.572 1.00 0.00 C ATOM 836 O MET A 56 -2.955 4.426 11.054 1.00 0.00 O ATOM 837 CB MET A 56 -4.908 4.487 8.217 1.00 0.00 C ATOM 838 CG MET A 56 -3.772 4.442 7.208 1.00 0.00 C ATOM 839 SD MET A 56 -3.736 2.901 6.272 1.00 0.00 S ATOM 840 CE MET A 56 -5.365 2.917 5.528 1.00 0.00 C ATOM 0 H MET A 56 -2.596 5.956 9.275 1.00 0.00 H new ATOM 0 HA MET A 56 -5.464 5.775 9.846 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.181 3.468 8.491 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.783 4.936 7.747 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.871 5.280 6.518 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.823 4.569 7.729 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.308 2.507 4.520 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.045 2.312 6.128 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.734 3.942 5.483 1.00 0.00 H new ATOM 850 N VAL A 57 -4.942 3.375 10.954 1.00 0.00 N ATOM 851 CA VAL A 57 -4.602 2.399 11.983 1.00 0.00 C ATOM 852 C VAL A 57 -4.306 3.084 13.313 1.00 0.00 C ATOM 853 O VAL A 57 -3.275 2.830 13.937 1.00 0.00 O ATOM 854 CB VAL A 57 -3.384 1.552 11.571 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.217 0.366 12.509 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.521 1.087 10.129 1.00 0.00 C ATOM 0 H VAL A 57 -5.879 3.269 10.566 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.467 1.746 12.099 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.490 2.172 11.645 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.351 -0.221 12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.069 0.725 13.527 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.110 -0.257 12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.651 0.490 9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.423 0.483 10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.587 1.954 9.472 1.00 0.00 H new ATOM 866 N ASP A 58 -5.216 3.952 13.740 1.00 0.00 N ATOM 867 CA ASP A 58 -5.053 4.672 14.998 1.00 0.00 C ATOM 868 C ASP A 58 -3.762 5.484 14.996 1.00 0.00 C ATOM 869 O ASP A 58 -3.176 5.741 16.047 1.00 0.00 O ATOM 870 CB ASP A 58 -5.054 3.695 16.174 1.00 0.00 C ATOM 871 CG ASP A 58 -5.609 4.315 17.442 1.00 0.00 C ATOM 872 OD1 ASP A 58 -4.951 5.219 17.998 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.701 3.896 17.877 1.00 0.00 O ATOM 0 H ASP A 58 -6.074 4.174 13.234 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.893 5.359 15.106 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.646 2.818 15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.036 3.350 16.357 1.00 0.00 H new ATOM 878 N GLY A 59 -3.322 5.885 13.807 1.00 0.00 N ATOM 879 CA GLY A 59 -2.103 6.663 13.690 1.00 0.00 C ATOM 880 C GLY A 59 -0.859 5.797 13.712 1.00 0.00 C ATOM 881 O GLY A 59 0.179 6.203 14.235 1.00 0.00 O ATOM 0 H GLY A 59 -3.789 5.685 12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.128 7.235 12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.055 7.383 14.507 1.00 0.00 H new ATOM 885 N ASN A 60 -0.963 4.600 13.145 1.00 0.00 N ATOM 886 CA ASN A 60 0.163 3.673 13.104 1.00 0.00 C ATOM 887 C ASN A 60 0.776 3.623 11.708 1.00 0.00 C ATOM 888 O ASN A 60 1.903 3.161 11.529 1.00 0.00 O ATOM 889 CB ASN A 60 -0.287 2.273 13.526 1.00 0.00 C ATOM 890 CG ASN A 60 -0.169 2.054 15.022 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.855 1.579 15.512 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.221 2.400 15.755 1.00 0.00 N ATOM 0 H ASN A 60 -1.815 4.249 12.708 1.00 0.00 H new ATOM 0 HA ASN A 60 0.921 4.030 13.802 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.322 2.119 13.220 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.314 1.528 13.004 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.201 2.275 16.767 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.049 2.790 15.306 1.00 0.00 H new ATOM 899 N VAL A 61 0.026 4.103 10.721 1.00 0.00 N ATOM 900 CA VAL A 61 0.495 4.115 9.340 1.00 0.00 C ATOM 901 C VAL A 61 0.296 5.486 8.704 1.00 0.00 C ATOM 902 O VAL A 61 -0.833 5.950 8.546 1.00 0.00 O ATOM 903 CB VAL A 61 -0.232 3.056 8.491 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.219 3.133 7.040 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.004 1.664 9.058 1.00 0.00 C ATOM 0 H VAL A 61 -0.909 4.489 10.852 1.00 0.00 H new ATOM 0 HA VAL A 61 1.559 3.881 9.365 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.302 3.260 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.305 2.377 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.007 4.122 6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.293 2.955 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.517 0.928 8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.072 1.447 9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.374 1.618 10.079 1.00 0.00 H new ATOM 915 N SER A 62 1.400 6.130 8.340 1.00 0.00 N ATOM 916 CA SER A 62 1.347 7.450 7.723 1.00 0.00 C ATOM 917 C SER A 62 2.034 7.441 6.361 1.00 0.00 C ATOM 918 O SER A 62 2.599 6.431 5.945 1.00 0.00 O ATOM 919 CB SER A 62 2.008 8.488 8.633 1.00 0.00 C ATOM 920 OG SER A 62 3.392 8.226 8.784 1.00 0.00 O ATOM 0 H SER A 62 2.342 5.759 8.462 1.00 0.00 H new ATOM 0 HA SER A 62 0.300 7.716 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.867 9.485 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.525 8.480 9.610 1.00 0.00 H new ATOM 0 HG SER A 62 3.791 8.904 9.368 1.00 0.00 H new ATOM 926 N GLY A 63 1.979 8.576 5.670 1.00 0.00 N ATOM 927 CA GLY A 63 2.599 8.678 4.362 1.00 0.00 C ATOM 928 C GLY A 63 2.429 10.053 3.746 1.00 0.00 C ATOM 929 O GLY A 63 2.095 11.013 4.440 1.00 0.00 O ATOM 0 H GLY A 63 1.516 9.426 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.662 8.451 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.166 7.930 3.698 1.00 0.00 H new ATOM 933 N GLU A 64 2.662 10.148 2.441 1.00 0.00 N ATOM 934 CA GLU A 64 2.535 11.417 1.733 1.00 0.00 C ATOM 935 C GLU A 64 2.193 11.189 0.264 1.00 0.00 C ATOM 936 O GLU A 64 2.762 10.313 -0.389 1.00 0.00 O ATOM 937 CB GLU A 64 3.832 12.222 1.847 1.00 0.00 C ATOM 938 CG GLU A 64 4.813 11.958 0.718 1.00 0.00 C ATOM 939 CD GLU A 64 6.006 12.894 0.751 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.304 13.436 1.836 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.640 13.084 -0.308 1.00 0.00 O ATOM 0 H GLU A 64 2.939 9.362 1.853 1.00 0.00 H new ATOM 0 HA GLU A 64 1.724 11.981 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.590 13.285 1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.313 11.988 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.163 10.927 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.299 12.064 -0.237 1.00 0.00 H new ATOM 948 N PHE A 65 1.259 11.982 -0.250 1.00 0.00 N ATOM 949 CA PHE A 65 0.838 11.866 -1.642 1.00 0.00 C ATOM 950 C PHE A 65 1.842 12.543 -2.571 1.00 0.00 C ATOM 951 O PHE A 65 2.115 13.737 -2.445 1.00 0.00 O ATOM 952 CB PHE A 65 -0.548 12.486 -1.831 1.00 0.00 C ATOM 953 CG PHE A 65 -1.667 11.609 -1.349 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.500 10.798 -0.238 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.887 11.595 -2.006 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.529 9.989 0.209 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.919 10.789 -1.564 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.739 9.985 -0.455 1.00 0.00 C ATOM 0 H PHE A 65 0.779 12.712 0.276 1.00 0.00 H new ATOM 0 HA PHE A 65 0.792 10.807 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.587 13.437 -1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.698 12.705 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.555 10.798 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.033 12.221 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.386 9.361 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.865 10.788 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.544 9.354 -0.108 1.00 0.00 H new ATOM 968 N THR A 66 2.389 11.771 -3.505 1.00 0.00 N ATOM 969 CA THR A 66 3.363 12.294 -4.454 1.00 0.00 C ATOM 970 C THR A 66 2.721 12.560 -5.811 1.00 0.00 C ATOM 971 O THR A 66 3.048 13.539 -6.482 1.00 0.00 O ATOM 972 CB THR A 66 4.544 11.322 -4.640 1.00 0.00 C ATOM 973 OG1 THR A 66 4.057 10.016 -4.968 1.00 0.00 O ATOM 974 CG2 THR A 66 5.390 11.251 -3.378 1.00 0.00 C ATOM 0 H THR A 66 2.174 10.781 -3.624 1.00 0.00 H new ATOM 0 HA THR A 66 3.735 13.232 -4.041 1.00 0.00 H new ATOM 0 HB THR A 66 5.166 11.692 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.078 10.011 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.218 10.559 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.783 12.241 -3.148 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.776 10.902 -2.548 1.00 0.00 H new ATOM 982 N ASP A 67 1.805 11.684 -6.208 1.00 0.00 N ATOM 983 CA ASP A 67 1.114 11.825 -7.485 1.00 0.00 C ATOM 984 C ASP A 67 -0.352 11.426 -7.357 1.00 0.00 C ATOM 985 O ASP A 67 -0.694 10.509 -6.609 1.00 0.00 O ATOM 986 CB ASP A 67 1.796 10.971 -8.555 1.00 0.00 C ATOM 987 CG ASP A 67 1.643 11.555 -9.946 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.516 11.525 -10.481 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.651 12.042 -10.500 1.00 0.00 O ATOM 0 H ASP A 67 1.523 10.868 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 67 1.162 12.873 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.856 10.876 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.374 9.966 -8.537 1.00 0.00 H new ATOM 994 N LEU A 68 -1.215 12.121 -8.090 1.00 0.00 N ATOM 995 CA LEU A 68 -2.646 11.840 -8.058 1.00 0.00 C ATOM 996 C LEU A 68 -3.270 12.032 -9.437 1.00 0.00 C ATOM 997 O LEU A 68 -3.364 13.153 -9.937 1.00 0.00 O ATOM 998 CB LEU A 68 -3.342 12.747 -7.041 1.00 0.00 C ATOM 999 CG LEU A 68 -2.958 12.532 -5.577 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.414 13.707 -4.726 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.552 11.231 -5.055 1.00 0.00 C ATOM 0 H LEU A 68 -0.949 12.883 -8.714 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.780 10.800 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.129 13.783 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.419 12.608 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.872 12.464 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.132 13.535 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.941 14.621 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.497 13.808 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.268 11.094 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.638 11.270 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.175 10.396 -5.646 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.696 10.930 -10.046 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.314 10.976 -11.366 1.00 0.00 C ATOM 1015 C VAL A 69 -5.791 10.603 -11.295 1.00 0.00 C ATOM 1016 O VAL A 69 -6.189 9.675 -10.590 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.604 10.031 -12.352 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.114 10.253 -13.767 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.097 10.224 -12.283 1.00 0.00 C ATOM 0 H VAL A 69 -3.624 9.994 -9.646 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.218 12.001 -11.724 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.829 9.003 -12.068 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.600 9.576 -14.449 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.186 10.059 -13.802 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.922 11.284 -14.065 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.611 9.548 -12.987 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.850 11.254 -12.540 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.748 10.008 -11.273 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.625 11.341 -12.042 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.071 11.106 -12.082 1.00 0.00 C ATOM 1031 C PRO A 70 -8.413 9.634 -12.290 1.00 0.00 C ATOM 1032 O PRO A 70 -8.112 9.059 -13.335 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.532 11.936 -13.282 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.517 13.019 -13.407 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.219 12.462 -12.907 1.00 0.00 C ATOM 0 HA PRO A 70 -8.555 11.381 -11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.578 11.331 -14.187 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.529 12.345 -13.121 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.424 13.343 -14.444 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.811 13.893 -12.825 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.586 12.125 -13.728 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.651 13.209 -12.353 1.00 0.00 H new ATOM 1043 N GLU A 71 -9.044 9.031 -11.287 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.427 7.626 -11.361 1.00 0.00 C ATOM 1045 C GLU A 71 -8.491 6.855 -12.288 1.00 0.00 C ATOM 1046 O GLU A 71 -8.937 6.111 -13.162 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.870 7.492 -11.850 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.848 8.392 -11.113 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.246 8.338 -11.699 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.510 7.438 -12.523 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -14.075 9.197 -11.333 1.00 0.00 O ATOM 0 H GLU A 71 -9.300 9.493 -10.415 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.350 7.202 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.907 7.724 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.188 6.455 -11.738 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.886 8.099 -10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.485 9.419 -11.144 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.190 7.041 -12.093 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.189 6.364 -12.910 1.00 0.00 C ATOM 1060 C LYS A 72 -5.178 5.631 -12.034 1.00 0.00 C ATOM 1061 O LYS A 72 -4.998 4.419 -12.158 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.467 7.372 -13.807 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.289 7.818 -15.004 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.905 7.055 -16.260 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.629 7.605 -16.879 1.00 0.00 C ATOM 1066 NZ LYS A 72 -4.125 6.735 -17.978 1.00 0.00 N ATOM 0 H LYS A 72 -6.804 7.655 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.700 5.632 -13.535 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.199 8.247 -13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.536 6.929 -14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.348 7.667 -14.795 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.145 8.886 -15.168 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.768 6.001 -16.019 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.717 7.114 -16.985 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.816 8.607 -17.266 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.863 7.698 -16.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.255 7.144 -18.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.923 5.786 -17.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.846 6.667 -18.725 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.520 6.373 -11.149 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.528 5.792 -10.251 1.00 0.00 C ATOM 1082 C HIS A 73 -3.179 6.763 -9.127 1.00 0.00 C ATOM 1083 O HIS A 73 -3.454 7.960 -9.219 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.266 5.416 -11.026 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.154 6.410 -10.880 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.181 7.760 -10.788 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.175 6.048 -10.815 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.120 8.185 -10.669 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 0.918 7.133 -10.688 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.656 7.377 -11.034 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.956 4.892 -9.810 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.918 4.441 -10.686 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.515 5.314 -12.082 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.550 5.036 -10.861 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.438 9.213 -10.575 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.935 7.154 -10.617 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.572 6.240 -8.067 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.185 7.060 -6.926 1.00 0.00 C ATOM 1100 C ILE A 74 -0.815 6.652 -6.394 1.00 0.00 C ATOM 1101 O ILE A 74 -0.561 5.474 -6.142 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.216 6.962 -5.786 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.599 7.387 -6.283 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.784 7.819 -4.606 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.720 7.021 -5.335 1.00 0.00 C ATOM 0 H ILE A 74 -2.338 5.252 -7.975 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.143 8.090 -7.279 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.273 5.925 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.604 8.466 -6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.787 6.923 -7.251 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.523 7.739 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.817 7.474 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.702 8.859 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.671 7.352 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.741 5.940 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.556 7.507 -4.373 1.00 0.00 H new ATOM 1117 N VAL A 75 0.064 7.634 -6.224 1.00 0.00 N ATOM 1118 CA VAL A 75 1.408 7.377 -5.719 1.00 0.00 C ATOM 1119 C VAL A 75 1.648 8.106 -4.401 1.00 0.00 C ATOM 1120 O VAL A 75 1.543 9.330 -4.330 1.00 0.00 O ATOM 1121 CB VAL A 75 2.482 7.810 -6.735 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.863 7.375 -6.270 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.170 7.242 -8.112 1.00 0.00 C ATOM 0 H VAL A 75 -0.130 8.614 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 75 1.485 6.302 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 75 2.475 8.898 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.609 7.690 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.083 7.833 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.888 6.290 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.938 7.557 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.149 6.153 -8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.199 7.608 -8.445 1.00 0.00 H new ATOM 1133 N MET A 76 1.971 7.345 -3.361 1.00 0.00 N ATOM 1134 CA MET A 76 2.228 7.919 -2.045 1.00 0.00 C ATOM 1135 C MET A 76 3.204 7.053 -1.255 1.00 0.00 C ATOM 1136 O MET A 76 3.541 5.944 -1.669 1.00 0.00 O ATOM 1137 CB MET A 76 0.920 8.073 -1.267 1.00 0.00 C ATOM 1138 CG MET A 76 0.426 6.776 -0.646 1.00 0.00 C ATOM 1139 SD MET A 76 -1.328 6.826 -0.235 1.00 0.00 S ATOM 1140 CE MET A 76 -1.858 5.216 -0.815 1.00 0.00 C ATOM 0 H MET A 76 2.061 6.330 -3.404 1.00 0.00 H new ATOM 0 HA MET A 76 2.675 8.903 -2.187 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.060 8.813 -0.479 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.152 8.461 -1.936 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.610 5.954 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.001 6.568 0.256 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.925 5.096 -0.630 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.663 5.132 -1.884 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.308 4.439 -0.284 1.00 0.00 H new ATOM 1150 N LYS A 77 3.655 7.566 -0.116 1.00 0.00 N ATOM 1151 CA LYS A 77 4.592 6.840 0.733 1.00 0.00 C ATOM 1152 C LYS A 77 3.850 6.024 1.787 1.00 0.00 C ATOM 1153 O LYS A 77 2.748 6.383 2.201 1.00 0.00 O ATOM 1154 CB LYS A 77 5.557 7.814 1.413 1.00 0.00 C ATOM 1155 CG LYS A 77 6.665 8.309 0.500 1.00 0.00 C ATOM 1156 CD LYS A 77 7.756 9.020 1.283 1.00 0.00 C ATOM 1157 CE LYS A 77 7.477 10.511 1.400 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.671 11.263 1.876 1.00 0.00 N ATOM 0 H LYS A 77 3.387 8.483 0.241 1.00 0.00 H new ATOM 0 HA LYS A 77 5.160 6.156 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.994 8.670 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.003 7.325 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.095 7.467 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.249 8.988 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.833 8.584 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.717 8.866 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.166 10.899 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.648 10.672 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.440 12.275 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.953 10.910 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.455 11.130 1.206 1.00 0.00 H new ATOM 1172 N TRP A 78 4.463 4.926 2.217 1.00 0.00 N ATOM 1173 CA TRP A 78 3.860 4.060 3.225 1.00 0.00 C ATOM 1174 C TRP A 78 4.894 3.627 4.258 1.00 0.00 C ATOM 1175 O TRP A 78 6.034 3.312 3.915 1.00 0.00 O ATOM 1176 CB TRP A 78 3.236 2.831 2.562 1.00 0.00 C ATOM 1177 CG TRP A 78 2.170 2.185 3.394 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.819 2.315 3.239 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.366 1.311 4.511 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.163 1.573 4.192 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.090 0.948 4.984 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.494 0.798 5.156 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.914 0.097 6.073 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.318 -0.046 6.236 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.036 -0.390 6.685 1.00 0.00 C ATOM 0 H TRP A 78 5.376 4.615 1.884 1.00 0.00 H new ATOM 0 HA TRP A 78 3.079 4.624 3.735 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.811 3.122 1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.019 2.101 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.337 2.913 2.479 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.849 1.500 4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.486 1.056 4.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.073 -0.169 6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.183 -0.447 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.932 -1.053 7.531 1.00 0.00 H new ATOM 1196 N ARG A 79 4.489 3.613 5.524 1.00 0.00 N ATOM 1197 CA ARG A 79 5.381 3.218 6.607 1.00 0.00 C ATOM 1198 C ARG A 79 4.605 3.022 7.906 1.00 0.00 C ATOM 1199 O ARG A 79 3.460 3.456 8.030 1.00 0.00 O ATOM 1200 CB ARG A 79 6.472 4.272 6.807 1.00 0.00 C ATOM 1201 CG ARG A 79 5.941 5.618 7.271 1.00 0.00 C ATOM 1202 CD ARG A 79 6.953 6.345 8.143 1.00 0.00 C ATOM 1203 NE ARG A 79 7.114 5.704 9.445 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.563 6.335 10.525 1.00 0.00 C ATOM 1205 NH1 ARG A 79 7.893 7.617 10.458 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.683 5.682 11.674 1.00 0.00 N ATOM 0 H ARG A 79 3.549 3.871 5.825 1.00 0.00 H new ATOM 0 HA ARG A 79 5.846 2.270 6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.192 3.903 7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.011 4.407 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.697 6.233 6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.016 5.473 7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.916 6.376 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.634 7.378 8.284 1.00 0.00 H new ATOM 0 HE ARG A 79 6.868 4.718 9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.803 8.121 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.237 8.099 11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.431 4.695 11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.028 6.167 12.503 1.00 0.00 H new ATOM 1220 N PHE A 80 5.237 2.364 8.873 1.00 0.00 N ATOM 1221 CA PHE A 80 4.606 2.108 10.162 1.00 0.00 C ATOM 1222 C PHE A 80 5.062 3.126 11.203 1.00 0.00 C ATOM 1223 O PHE A 80 6.030 3.857 10.991 1.00 0.00 O ATOM 1224 CB PHE A 80 4.932 0.691 10.641 1.00 0.00 C ATOM 1225 CG PHE A 80 3.889 -0.323 10.266 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.544 -0.059 10.464 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.255 -1.541 9.716 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.582 -0.990 10.120 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.298 -2.475 9.369 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.960 -2.200 9.573 1.00 0.00 C ATOM 0 H PHE A 80 6.186 1.999 8.788 1.00 0.00 H new ATOM 0 HA PHE A 80 3.528 2.203 10.035 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.891 0.386 10.222 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.046 0.700 11.725 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.243 0.886 10.892 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.300 -1.763 9.557 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.536 -0.771 10.279 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.596 -3.420 8.938 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.211 -2.930 9.305 1.00 0.00 H new ATOM 1240 N LYS A 81 4.357 3.169 12.328 1.00 0.00 N ATOM 1241 CA LYS A 81 4.688 4.096 13.404 1.00 0.00 C ATOM 1242 C LYS A 81 5.907 3.613 14.183 1.00 0.00 C ATOM 1243 O LYS A 81 6.397 4.302 15.078 1.00 0.00 O ATOM 1244 CB LYS A 81 3.496 4.259 14.350 1.00 0.00 C ATOM 1245 CG LYS A 81 3.846 4.949 15.657 1.00 0.00 C ATOM 1246 CD LYS A 81 4.258 3.949 16.723 1.00 0.00 C ATOM 1247 CE LYS A 81 3.049 3.257 17.335 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.299 2.845 18.744 1.00 0.00 N ATOM 0 H LYS A 81 3.552 2.572 12.519 1.00 0.00 H new ATOM 0 HA LYS A 81 4.924 5.062 12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.717 4.830 13.845 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.079 3.276 14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.657 5.658 15.489 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.988 5.523 16.007 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.923 3.204 16.287 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.821 4.460 17.505 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.190 3.928 17.300 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.793 2.380 16.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.452 2.377 19.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.102 2.185 18.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.518 3.684 19.317 1.00 0.00 H new ATOM 1262 N SER A 82 6.393 2.426 13.836 1.00 0.00 N ATOM 1263 CA SER A 82 7.554 1.849 14.505 1.00 0.00 C ATOM 1264 C SER A 82 8.781 1.895 13.600 1.00 0.00 C ATOM 1265 O SER A 82 9.916 1.856 14.073 1.00 0.00 O ATOM 1266 CB SER A 82 7.265 0.405 14.920 1.00 0.00 C ATOM 1267 OG SER A 82 8.149 -0.017 15.944 1.00 0.00 O ATOM 0 H SER A 82 6.001 1.844 13.095 1.00 0.00 H new ATOM 0 HA SER A 82 7.760 2.441 15.397 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.235 0.322 15.267 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.364 -0.252 14.056 1.00 0.00 H new ATOM 0 HG SER A 82 7.943 -0.942 16.193 1.00 0.00 H new ATOM 1273 N TRP A 83 8.543 1.976 12.296 1.00 0.00 N ATOM 1274 CA TRP A 83 9.628 2.027 11.323 1.00 0.00 C ATOM 1275 C TRP A 83 10.639 3.107 11.691 1.00 0.00 C ATOM 1276 O TRP A 83 10.338 4.048 12.425 1.00 0.00 O ATOM 1277 CB TRP A 83 9.073 2.287 9.922 1.00 0.00 C ATOM 1278 CG TRP A 83 8.525 1.057 9.262 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.238 -0.135 9.862 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.202 0.900 7.876 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.755 -1.025 8.932 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.722 -0.414 7.707 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.268 1.742 6.763 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.314 -0.903 6.469 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.863 1.254 5.535 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.390 -0.057 5.396 1.00 0.00 C ATOM 0 H TRP A 83 7.609 2.008 11.888 1.00 0.00 H new ATOM 0 HA TRP A 83 10.135 1.062 11.332 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.286 3.038 9.985 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.863 2.704 9.298 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.371 -0.348 10.912 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.468 -1.985 9.124 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.629 2.755 6.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.950 -1.914 6.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.912 1.895 4.667 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.079 -0.407 4.423 1.00 0.00 H new ATOM 1297 N PRO A 84 11.868 2.972 11.170 1.00 0.00 N ATOM 1298 CA PRO A 84 12.948 3.928 11.429 1.00 0.00 C ATOM 1299 C PRO A 84 12.685 5.287 10.789 1.00 0.00 C ATOM 1300 O PRO A 84 11.971 5.385 9.793 1.00 0.00 O ATOM 1301 CB PRO A 84 14.171 3.264 10.792 1.00 0.00 C ATOM 1302 CG PRO A 84 13.610 2.358 9.751 1.00 0.00 C ATOM 1303 CD PRO A 84 12.297 1.875 10.286 1.00 0.00 C ATOM 0 HA PRO A 84 13.064 4.133 12.493 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.840 4.004 10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 84 14.750 2.709 11.530 1.00 0.00 H new ATOM 0 HG2 PRO A 84 13.476 2.885 8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.283 1.523 9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.578 1.698 9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.405 0.937 10.831 1.00 0.00 H new ATOM 1311 N GLU A 85 13.269 6.332 11.369 1.00 0.00 N ATOM 1312 CA GLU A 85 13.096 7.685 10.853 1.00 0.00 C ATOM 1313 C GLU A 85 13.521 7.768 9.390 1.00 0.00 C ATOM 1314 O GLU A 85 14.382 7.014 8.938 1.00 0.00 O ATOM 1315 CB GLU A 85 13.906 8.679 11.688 1.00 0.00 C ATOM 1316 CG GLU A 85 13.799 10.114 11.199 1.00 0.00 C ATOM 1317 CD GLU A 85 12.447 10.733 11.497 1.00 0.00 C ATOM 1318 OE1 GLU A 85 11.833 10.355 12.517 1.00 0.00 O ATOM 1319 OE2 GLU A 85 12.004 11.596 10.710 1.00 0.00 O ATOM 0 H GLU A 85 13.865 6.267 12.195 1.00 0.00 H new ATOM 0 HA GLU A 85 12.039 7.940 10.921 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.568 8.631 12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.954 8.378 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.580 10.713 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.978 10.142 10.124 1.00 0.00 H new ATOM 1326 N GLY A 86 12.910 8.692 8.654 1.00 0.00 N ATOM 1327 CA GLY A 86 13.237 8.857 7.250 1.00 0.00 C ATOM 1328 C GLY A 86 13.263 7.539 6.502 1.00 0.00 C ATOM 1329 O GLY A 86 14.161 7.291 5.696 1.00 0.00 O ATOM 0 H GLY A 86 12.195 9.329 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.507 9.520 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.210 9.341 7.161 1.00 0.00 H new ATOM 1333 N HIS A 87 12.276 6.689 6.768 1.00 0.00 N ATOM 1334 CA HIS A 87 12.189 5.388 6.115 1.00 0.00 C ATOM 1335 C HIS A 87 10.764 5.110 5.646 1.00 0.00 C ATOM 1336 O HIS A 87 9.938 4.602 6.405 1.00 0.00 O ATOM 1337 CB HIS A 87 12.650 4.284 7.067 1.00 0.00 C ATOM 1338 CG HIS A 87 13.067 3.026 6.368 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.377 2.605 6.294 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.336 2.095 5.711 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.435 1.470 5.620 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.210 1.139 5.256 1.00 0.00 N ATOM 0 H HIS A 87 11.525 6.878 7.432 1.00 0.00 H new ATOM 0 HA HIS A 87 12.843 5.402 5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.485 4.654 7.662 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.842 4.053 7.761 1.00 0.00 H new ATOM 0 HD1 HIS A 87 15.177 3.093 6.697 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.265 2.103 5.571 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.332 0.909 5.404 1.00 0.00 H new ATOM 1351 N PHE A 88 10.482 5.446 4.392 1.00 0.00 N ATOM 1352 CA PHE A 88 9.157 5.234 3.823 1.00 0.00 C ATOM 1353 C PHE A 88 9.234 4.354 2.578 1.00 0.00 C ATOM 1354 O PHE A 88 10.316 4.104 2.048 1.00 0.00 O ATOM 1355 CB PHE A 88 8.507 6.575 3.474 1.00 0.00 C ATOM 1356 CG PHE A 88 8.188 7.416 4.676 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.201 7.904 5.486 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.875 7.720 4.997 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.911 8.679 6.593 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.578 8.495 6.102 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.597 8.974 6.902 1.00 0.00 C ATOM 0 H PHE A 88 11.154 5.867 3.750 1.00 0.00 H new ATOM 0 HA PHE A 88 8.546 4.726 4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.174 7.133 2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.589 6.391 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.230 7.676 5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.074 7.347 4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.710 9.053 7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.550 8.726 6.340 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.367 9.578 7.767 1.00 0.00 H new ATOM 1371 N ALA A 89 8.078 3.888 2.118 1.00 0.00 N ATOM 1372 CA ALA A 89 8.013 3.038 0.935 1.00 0.00 C ATOM 1373 C ALA A 89 7.154 3.675 -0.152 1.00 0.00 C ATOM 1374 O ALA A 89 6.044 4.139 0.111 1.00 0.00 O ATOM 1375 CB ALA A 89 7.471 1.664 1.302 1.00 0.00 C ATOM 0 H ALA A 89 7.173 4.085 2.546 1.00 0.00 H new ATOM 0 HA ALA A 89 9.024 2.925 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.428 1.040 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.126 1.199 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.470 1.768 1.721 1.00 0.00 H new ATOM 1381 N THR A 90 7.674 3.694 -1.375 1.00 0.00 N ATOM 1382 CA THR A 90 6.956 4.276 -2.502 1.00 0.00 C ATOM 1383 C THR A 90 5.884 3.324 -3.021 1.00 0.00 C ATOM 1384 O THR A 90 6.191 2.322 -3.667 1.00 0.00 O ATOM 1385 CB THR A 90 7.913 4.631 -3.656 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.039 5.358 -3.152 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.201 5.459 -4.715 1.00 0.00 C ATOM 0 H THR A 90 8.590 3.313 -1.610 1.00 0.00 H new ATOM 0 HA THR A 90 6.484 5.188 -2.138 1.00 0.00 H new ATOM 0 HB THR A 90 8.255 3.703 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.643 5.578 -3.891 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.897 5.697 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.362 4.891 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.833 6.383 -4.268 1.00 0.00 H new ATOM 1395 N ILE A 91 4.627 3.644 -2.735 1.00 0.00 N ATOM 1396 CA ILE A 91 3.510 2.818 -3.175 1.00 0.00 C ATOM 1397 C ILE A 91 2.737 3.493 -4.303 1.00 0.00 C ATOM 1398 O ILE A 91 2.318 4.645 -4.182 1.00 0.00 O ATOM 1399 CB ILE A 91 2.542 2.515 -2.015 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.147 1.468 -1.078 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.201 2.040 -2.555 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.401 1.939 -0.375 1.00 0.00 C ATOM 0 H ILE A 91 4.356 4.469 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 91 3.934 1.882 -3.538 1.00 0.00 H new ATOM 0 HB ILE A 91 2.379 3.431 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.404 1.189 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.377 0.569 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.528 1.830 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.767 2.816 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.346 1.133 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.775 1.146 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.160 2.191 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.173 2.820 0.225 1.00 0.00 H new ATOM 1414 N THR A 92 2.550 2.768 -5.402 1.00 0.00 N ATOM 1415 CA THR A 92 1.828 3.296 -6.552 1.00 0.00 C ATOM 1416 C THR A 92 0.637 2.413 -6.906 1.00 0.00 C ATOM 1417 O THR A 92 0.792 1.366 -7.536 1.00 0.00 O ATOM 1418 CB THR A 92 2.745 3.418 -7.784 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.803 4.345 -7.516 1.00 0.00 O ATOM 1420 CG2 THR A 92 1.957 3.878 -9.001 1.00 0.00 C ATOM 0 H THR A 92 2.889 1.813 -5.519 1.00 0.00 H new ATOM 0 HA THR A 92 1.472 4.288 -6.273 1.00 0.00 H new ATOM 0 HB THR A 92 3.168 2.436 -7.995 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.383 4.416 -8.303 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.625 3.957 -9.859 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.170 3.156 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.510 4.851 -8.798 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.553 2.840 -6.497 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.772 2.088 -6.772 1.00 0.00 C ATOM 1430 C LEU A 93 -2.329 2.437 -8.149 1.00 0.00 C ATOM 1431 O LEU A 93 -2.121 3.541 -8.653 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.823 2.372 -5.697 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.540 1.793 -4.311 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.348 2.525 -3.251 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.846 0.302 -4.283 1.00 0.00 C ATOM 0 H LEU A 93 -0.699 3.703 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.525 1.026 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.933 3.452 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.781 1.983 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.481 1.931 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.133 2.099 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.080 3.581 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.411 2.420 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.639 -0.093 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.896 0.142 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.222 -0.211 -5.015 1.00 0.00 H new ATOM 1447 N THR A 94 -3.039 1.488 -8.752 1.00 0.00 N ATOM 1448 CA THR A 94 -3.626 1.695 -10.069 1.00 0.00 C ATOM 1449 C THR A 94 -5.029 1.102 -10.145 1.00 0.00 C ATOM 1450 O THR A 94 -5.249 -0.047 -9.762 1.00 0.00 O ATOM 1451 CB THR A 94 -2.757 1.070 -11.177 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.375 1.130 -10.807 1.00 0.00 O ATOM 1453 CG2 THR A 94 -2.965 1.792 -12.500 1.00 0.00 C ATOM 0 H THR A 94 -3.221 0.569 -8.349 1.00 0.00 H new ATOM 0 HA THR A 94 -3.680 2.773 -10.224 1.00 0.00 H new ATOM 0 HB THR A 94 -3.055 0.029 -11.299 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.829 0.729 -11.515 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.341 1.333 -13.267 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.012 1.720 -12.793 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.691 2.841 -12.389 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.974 1.893 -10.642 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.357 1.445 -10.768 1.00 0.00 C ATOM 1463 C PHE A 95 -7.694 1.123 -12.221 1.00 0.00 C ATOM 1464 O PHE A 95 -7.604 1.985 -13.096 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.312 2.516 -10.236 1.00 0.00 C ATOM 1466 CG PHE A 95 -7.967 2.993 -8.854 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.875 3.819 -8.644 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.736 2.617 -7.765 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.555 4.259 -7.374 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.422 3.054 -6.492 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.330 3.877 -6.296 1.00 0.00 C ATOM 0 H PHE A 95 -5.808 2.847 -10.964 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.474 0.537 -10.177 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.307 3.367 -10.917 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.326 2.117 -10.232 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.267 4.123 -9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.591 1.974 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.700 4.901 -7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.030 2.752 -5.652 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.083 4.221 -5.303 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.082 -0.123 -12.469 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.434 -0.559 -13.815 1.00 0.00 C ATOM 1483 C ILE A 96 -9.916 -0.904 -13.912 1.00 0.00 C ATOM 1484 O ILE A 96 -10.552 -1.239 -12.912 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.604 -1.783 -14.245 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.110 -1.499 -14.075 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.917 -2.155 -15.686 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.246 -2.738 -14.159 1.00 0.00 C ATOM 0 H ILE A 96 -8.161 -0.848 -11.756 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.213 0.273 -14.484 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.869 -2.626 -13.607 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.793 -0.792 -14.842 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.947 -1.017 -13.111 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.323 -3.022 -15.975 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.976 -2.394 -15.778 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.677 -1.316 -16.339 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.200 -2.461 -14.030 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.536 -3.438 -13.375 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.379 -3.209 -15.133 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.459 -0.823 -15.121 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.866 -1.130 -15.350 1.00 0.00 C ATOM 1502 C ASP A 97 -12.026 -2.509 -15.981 1.00 0.00 C ATOM 1503 O ASP A 97 -11.337 -2.847 -16.944 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.502 -0.068 -16.248 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.758 -0.567 -16.935 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -13.638 -1.393 -17.864 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.861 -0.133 -16.543 1.00 0.00 O ATOM 0 H ASP A 97 -9.946 -0.547 -15.958 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.374 -1.131 -14.385 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.743 0.811 -15.651 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.780 0.246 -17.001 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.939 -3.303 -15.432 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.190 -4.647 -15.940 1.00 0.00 C ATOM 1514 C LYS A 98 -14.669 -4.838 -16.263 1.00 0.00 C ATOM 1515 O LYS A 98 -15.128 -5.960 -16.472 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.741 -5.693 -14.918 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.323 -5.483 -14.415 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.311 -6.222 -15.275 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.083 -6.620 -14.472 1.00 0.00 C ATOM 1520 NZ LYS A 98 -8.165 -7.491 -15.258 1.00 0.00 N ATOM 0 H LYS A 98 -13.518 -3.039 -14.635 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.616 -4.775 -16.857 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.425 -5.676 -14.069 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.815 -6.683 -15.368 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.091 -4.418 -14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.247 -5.828 -13.384 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.774 -7.113 -15.699 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.011 -5.590 -16.111 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.550 -5.724 -14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.394 -7.143 -13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.340 -7.741 -14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.665 -8.358 -15.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.848 -6.983 -16.108 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.409 -3.735 -16.304 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.835 -3.782 -16.603 1.00 0.00 C ATOM 1536 C ASN A 99 -17.623 -4.321 -15.413 1.00 0.00 C ATOM 1537 O ASN A 99 -18.448 -5.222 -15.559 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.091 -4.652 -17.835 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.299 -4.191 -18.628 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.171 -3.435 -19.591 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.479 -4.646 -18.226 1.00 0.00 N ATOM 0 H ASN A 99 -15.044 -2.798 -16.134 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.171 -2.766 -16.808 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.210 -4.636 -18.477 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.238 -5.686 -17.522 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.327 -4.371 -18.721 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.538 -5.271 -17.422 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.361 -3.763 -14.235 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.054 -4.200 -13.037 1.00 0.00 C ATOM 1550 C GLY A 100 -17.136 -4.279 -11.833 1.00 0.00 C ATOM 1551 O GLY A 100 -17.569 -4.067 -10.701 1.00 0.00 O ATOM 0 H GLY A 100 -16.682 -3.016 -14.089 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.872 -3.512 -12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.500 -5.179 -13.215 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.866 -4.586 -12.077 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.887 -4.694 -11.003 1.00 0.00 C ATOM 1557 C GLU A 101 -13.664 -3.828 -11.292 1.00 0.00 C ATOM 1558 O GLU A 101 -13.459 -3.378 -12.420 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.460 -6.151 -10.816 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.622 -7.130 -10.816 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.210 -8.525 -10.387 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.620 -8.659 -9.295 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.478 -9.482 -11.143 1.00 0.00 O ATOM 0 H GLU A 101 -15.491 -4.764 -13.009 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.354 -4.339 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.767 -6.423 -11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.917 -6.244 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.401 -6.764 -10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.055 -7.174 -11.815 1.00 0.00 H new ATOM 1570 N THR A 102 -12.853 -3.597 -10.264 1.00 0.00 N ATOM 1571 CA THR A 102 -11.652 -2.784 -10.406 1.00 0.00 C ATOM 1572 C THR A 102 -10.423 -3.524 -9.889 1.00 0.00 C ATOM 1573 O THR A 102 -10.391 -3.966 -8.741 1.00 0.00 O ATOM 1574 CB THR A 102 -11.786 -1.447 -9.653 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.881 -0.693 -10.186 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.505 -0.634 -9.760 1.00 0.00 C ATOM 0 H THR A 102 -13.007 -3.962 -9.324 1.00 0.00 H new ATOM 0 HA THR A 102 -11.531 -2.583 -11.470 1.00 0.00 H new ATOM 0 HB THR A 102 -11.972 -1.665 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.713 -1.198 -10.070 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.624 0.306 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.679 -1.198 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.293 -0.426 -10.809 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.413 -3.654 -10.744 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.182 -4.341 -10.371 1.00 0.00 C ATOM 1586 C GLU A 103 -7.161 -3.359 -9.804 1.00 0.00 C ATOM 1587 O GLU A 103 -6.547 -2.588 -10.543 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.590 -5.067 -11.581 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.416 -5.967 -11.237 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.178 -5.186 -10.843 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -4.557 -4.568 -11.733 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -4.829 -5.193 -9.644 1.00 0.00 O ATOM 0 H GLU A 103 -9.423 -3.293 -11.698 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.424 -5.072 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.370 -5.666 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.268 -4.329 -12.315 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.699 -6.630 -10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.185 -6.599 -12.094 1.00 0.00 H new ATOM 1599 N LEU A 104 -6.985 -3.391 -8.488 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.039 -2.504 -7.820 1.00 0.00 C ATOM 1601 C LEU A 104 -4.640 -3.111 -7.807 1.00 0.00 C ATOM 1602 O LEU A 104 -4.344 -3.996 -7.003 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.498 -2.221 -6.389 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.635 -1.246 -5.588 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.862 0.181 -6.062 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.933 -1.368 -4.100 1.00 0.00 C ATOM 0 H LEU A 104 -7.485 -4.022 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.003 -1.567 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.515 -1.830 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.540 -3.167 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.588 -1.500 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.239 0.861 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.599 0.260 -7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.911 0.446 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.310 -0.667 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.984 -1.141 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.719 -2.384 -3.768 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.783 -2.628 -8.699 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.413 -3.122 -8.790 1.00 0.00 C ATOM 1620 C CYS A 105 -1.481 -2.304 -7.902 1.00 0.00 C ATOM 1621 O CYS A 105 -0.962 -1.268 -8.318 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.927 -3.076 -10.239 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.723 -4.360 -10.654 1.00 0.00 S ATOM 0 H CYS A 105 -4.012 -1.895 -9.370 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.402 -4.156 -8.444 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.787 -3.171 -10.903 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.482 -2.100 -10.431 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.374 -4.241 -11.900 1.00 0.00 H new ATOM 1629 N MET A 106 -1.274 -2.776 -6.677 1.00 0.00 N ATOM 1630 CA MET A 106 -0.404 -2.087 -5.730 1.00 0.00 C ATOM 1631 C MET A 106 1.061 -2.407 -6.006 1.00 0.00 C ATOM 1632 O MET A 106 1.424 -3.565 -6.213 1.00 0.00 O ATOM 1633 CB MET A 106 -0.763 -2.481 -4.296 1.00 0.00 C ATOM 1634 CG MET A 106 -0.014 -1.683 -3.241 1.00 0.00 C ATOM 1635 SD MET A 106 1.734 -2.119 -3.151 1.00 0.00 S ATOM 1636 CE MET A 106 1.863 -2.652 -1.446 1.00 0.00 C ATOM 0 H MET A 106 -1.696 -3.632 -6.317 1.00 0.00 H new ATOM 0 HA MET A 106 -0.552 -1.014 -5.852 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.835 -2.347 -4.148 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.552 -3.541 -4.156 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.108 -0.620 -3.461 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.477 -1.850 -2.268 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.905 -2.870 -1.211 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.500 -1.861 -0.789 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.263 -3.550 -1.299 1.00 0.00 H new ATOM 1646 N GLU A 107 1.898 -1.374 -6.008 1.00 0.00 N ATOM 1647 CA GLU A 107 3.324 -1.547 -6.260 1.00 0.00 C ATOM 1648 C GLU A 107 4.154 -0.746 -5.261 1.00 0.00 C ATOM 1649 O GLU A 107 4.359 0.455 -5.430 1.00 0.00 O ATOM 1650 CB GLU A 107 3.668 -1.117 -7.688 1.00 0.00 C ATOM 1651 CG GLU A 107 4.846 -1.869 -8.283 1.00 0.00 C ATOM 1652 CD GLU A 107 5.420 -1.181 -9.506 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.742 -1.175 -10.556 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.545 -0.648 -9.415 1.00 0.00 O ATOM 0 H GLU A 107 1.613 -0.409 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 107 3.563 -2.604 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.795 -1.265 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.889 -0.050 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.626 -1.970 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.530 -2.877 -8.552 1.00 0.00 H new ATOM 1661 N GLY A 108 4.629 -1.422 -4.219 1.00 0.00 N ATOM 1662 CA GLY A 108 5.431 -0.758 -3.208 1.00 0.00 C ATOM 1663 C GLY A 108 6.884 -1.189 -3.245 1.00 0.00 C ATOM 1664 O GLY A 108 7.183 -2.372 -3.407 1.00 0.00 O ATOM 0 H GLY A 108 4.473 -2.417 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.371 0.321 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.017 -0.971 -2.222 1.00 0.00 H new ATOM 1668 N ARG A 109 7.788 -0.227 -3.096 1.00 0.00 N ATOM 1669 CA ARG A 109 9.218 -0.512 -3.116 1.00 0.00 C ATOM 1670 C ARG A 109 9.947 0.285 -2.038 1.00 0.00 C ATOM 1671 O ARG A 109 9.944 1.515 -2.052 1.00 0.00 O ATOM 1672 CB ARG A 109 9.805 -0.187 -4.491 1.00 0.00 C ATOM 1673 CG ARG A 109 9.564 1.247 -4.932 1.00 0.00 C ATOM 1674 CD ARG A 109 9.725 1.402 -6.436 1.00 0.00 C ATOM 1675 NE ARG A 109 9.687 2.802 -6.850 1.00 0.00 N ATOM 1676 CZ ARG A 109 8.563 3.491 -7.009 1.00 0.00 C ATOM 1677 NH1 ARG A 109 7.390 2.913 -6.790 1.00 0.00 N ATOM 1678 NH2 ARG A 109 8.610 4.762 -7.387 1.00 0.00 N ATOM 0 H ARG A 109 7.556 0.757 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 109 9.354 -1.574 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.878 -0.377 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.374 -0.863 -5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.560 1.555 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.263 1.909 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 109 10.671 0.958 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.932 0.852 -6.944 1.00 0.00 H new ATOM 0 HE ARG A 109 10.572 3.277 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 109 7.349 1.936 -6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 109 6.528 3.445 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.510 5.211 -7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 109 7.746 5.290 -7.509 1.00 0.00 H new ATOM 1692 N GLY A 110 10.570 -0.427 -1.103 1.00 0.00 N ATOM 1693 CA GLY A 110 11.294 0.231 -0.031 1.00 0.00 C ATOM 1694 C GLY A 110 10.900 -0.289 1.338 1.00 0.00 C ATOM 1695 O GLY A 110 11.319 0.255 2.360 1.00 0.00 O ATOM 0 H GLY A 110 10.586 -1.446 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.364 0.086 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.108 1.304 -0.076 1.00 0.00 H new ATOM 1699 N ILE A 111 10.091 -1.343 1.358 1.00 0.00 N ATOM 1700 CA ILE A 111 9.641 -1.935 2.612 1.00 0.00 C ATOM 1701 C ILE A 111 10.774 -2.686 3.303 1.00 0.00 C ATOM 1702 O ILE A 111 11.379 -3.600 2.743 1.00 0.00 O ATOM 1703 CB ILE A 111 8.462 -2.901 2.387 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.186 -2.118 2.074 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.262 -3.786 3.608 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.974 -1.872 0.596 1.00 0.00 C ATOM 0 H ILE A 111 9.734 -1.804 0.521 1.00 0.00 H new ATOM 0 HA ILE A 111 9.311 -1.114 3.249 1.00 0.00 H new ATOM 0 HB ILE A 111 8.692 -3.540 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.329 -2.663 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.221 -1.160 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.426 -4.463 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.167 -4.366 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.050 -3.164 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.051 -1.312 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.812 -1.300 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.906 -2.827 0.074 1.00 0.00 H new ATOM 1718 N PRO A 112 11.067 -2.294 4.552 1.00 0.00 N ATOM 1719 CA PRO A 112 12.127 -2.919 5.349 1.00 0.00 C ATOM 1720 C PRO A 112 12.048 -4.441 5.328 1.00 0.00 C ATOM 1721 O PRO A 112 11.044 -5.025 5.735 1.00 0.00 O ATOM 1722 CB PRO A 112 11.868 -2.389 6.762 1.00 0.00 C ATOM 1723 CG PRO A 112 11.165 -1.092 6.556 1.00 0.00 C ATOM 1724 CD PRO A 112 10.386 -1.212 5.283 1.00 0.00 C ATOM 0 HA PRO A 112 13.119 -2.681 4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.257 -3.083 7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.800 -2.252 7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.503 -0.875 7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.880 -0.272 6.494 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.341 -1.456 5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.397 -0.280 4.718 1.00 0.00 H new ATOM 1732 N ALA A 113 13.113 -5.078 4.852 1.00 0.00 N ATOM 1733 CA ALA A 113 13.164 -6.533 4.780 1.00 0.00 C ATOM 1734 C ALA A 113 12.648 -7.164 6.069 1.00 0.00 C ATOM 1735 O ALA A 113 11.815 -8.071 6.055 1.00 0.00 O ATOM 1736 CB ALA A 113 14.584 -6.998 4.494 1.00 0.00 C ATOM 0 H ALA A 113 13.952 -4.609 4.511 1.00 0.00 H new ATOM 0 HA ALA A 113 12.517 -6.855 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.607 -8.087 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.918 -6.583 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.246 -6.658 5.291 1.00 0.00 H new ATOM 1742 N PRO A 114 13.153 -6.676 7.212 1.00 0.00 N ATOM 1743 CA PRO A 114 12.758 -7.179 8.531 1.00 0.00 C ATOM 1744 C PRO A 114 11.250 -7.108 8.750 1.00 0.00 C ATOM 1745 O PRO A 114 10.663 -7.991 9.374 1.00 0.00 O ATOM 1746 CB PRO A 114 13.484 -6.242 9.499 1.00 0.00 C ATOM 1747 CG PRO A 114 14.648 -5.726 8.727 1.00 0.00 C ATOM 1748 CD PRO A 114 14.149 -5.596 7.304 1.00 0.00 C ATOM 0 HA PRO A 114 13.015 -8.230 8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.834 -5.430 9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.807 -6.772 10.395 1.00 0.00 H new ATOM 0 HG2 PRO A 114 14.985 -4.765 9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.495 -6.409 8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.705 -4.618 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.953 -5.724 6.579 1.00 0.00 H new ATOM 1756 N GLU A 115 10.631 -6.052 8.232 1.00 0.00 N ATOM 1757 CA GLU A 115 9.191 -5.867 8.373 1.00 0.00 C ATOM 1758 C GLU A 115 8.463 -6.276 7.096 1.00 0.00 C ATOM 1759 O GLU A 115 7.236 -6.216 7.023 1.00 0.00 O ATOM 1760 CB GLU A 115 8.872 -4.409 8.709 1.00 0.00 C ATOM 1761 CG GLU A 115 9.797 -3.809 9.756 1.00 0.00 C ATOM 1762 CD GLU A 115 9.104 -2.777 10.624 1.00 0.00 C ATOM 1763 OE1 GLU A 115 7.857 -2.792 10.684 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.810 -1.954 11.243 1.00 0.00 O ATOM 0 H GLU A 115 11.103 -5.312 7.712 1.00 0.00 H new ATOM 0 HA GLU A 115 8.847 -6.504 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.933 -3.813 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.844 -4.343 9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.189 -4.606 10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.650 -3.347 9.260 1.00 0.00 H new ATOM 1771 N GLU A 116 9.229 -6.692 6.092 1.00 0.00 N ATOM 1772 CA GLU A 116 8.657 -7.110 4.817 1.00 0.00 C ATOM 1773 C GLU A 116 7.366 -7.895 5.032 1.00 0.00 C ATOM 1774 O GLU A 116 6.327 -7.570 4.459 1.00 0.00 O ATOM 1775 CB GLU A 116 9.661 -7.960 4.036 1.00 0.00 C ATOM 1776 CG GLU A 116 9.178 -8.352 2.650 1.00 0.00 C ATOM 1777 CD GLU A 116 10.286 -8.921 1.786 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.469 -8.649 2.083 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.972 -9.637 0.812 1.00 0.00 O ATOM 0 H GLU A 116 10.246 -6.749 6.137 1.00 0.00 H new ATOM 0 HA GLU A 116 8.426 -6.214 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.597 -7.408 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.879 -8.864 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.380 -9.088 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.751 -7.479 2.158 1.00 0.00 H new ATOM 1786 N GLU A 117 7.442 -8.932 5.861 1.00 0.00 N ATOM 1787 CA GLU A 117 6.281 -9.765 6.150 1.00 0.00 C ATOM 1788 C GLU A 117 5.234 -8.984 6.939 1.00 0.00 C ATOM 1789 O GLU A 117 4.153 -8.686 6.431 1.00 0.00 O ATOM 1790 CB GLU A 117 6.701 -11.010 6.933 1.00 0.00 C ATOM 1791 CG GLU A 117 5.536 -11.904 7.325 1.00 0.00 C ATOM 1792 CD GLU A 117 5.954 -13.346 7.539 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.348 -13.687 8.674 1.00 0.00 O ATOM 1794 OE2 GLU A 117 5.887 -14.133 6.572 1.00 0.00 O ATOM 0 H GLU A 117 8.295 -9.215 6.344 1.00 0.00 H new ATOM 0 HA GLU A 117 5.841 -10.072 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.404 -11.587 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.230 -10.701 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.081 -11.522 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.773 -11.862 6.548 1.00 0.00 H new ATOM 1801 N ARG A 118 5.563 -8.656 8.184 1.00 0.00 N ATOM 1802 CA ARG A 118 4.651 -7.912 9.045 1.00 0.00 C ATOM 1803 C ARG A 118 3.804 -6.940 8.228 1.00 0.00 C ATOM 1804 O ARG A 118 2.577 -6.930 8.331 1.00 0.00 O ATOM 1805 CB ARG A 118 5.434 -7.148 10.114 1.00 0.00 C ATOM 1806 CG ARG A 118 4.581 -6.184 10.922 1.00 0.00 C ATOM 1807 CD ARG A 118 5.398 -5.005 11.426 1.00 0.00 C ATOM 1808 NE ARG A 118 4.595 -4.085 12.227 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.363 -4.250 13.525 1.00 0.00 C ATOM 1810 NH1 ARG A 118 4.872 -5.293 14.165 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.622 -3.369 14.185 1.00 0.00 N ATOM 0 H ARG A 118 6.454 -8.894 8.619 1.00 0.00 H new ATOM 0 HA ARG A 118 3.987 -8.626 9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.900 -7.863 10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.240 -6.592 9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.758 -5.821 10.306 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.138 -6.710 11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.233 -5.371 12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.824 -4.470 10.577 1.00 0.00 H new ATOM 0 HE ARG A 118 4.190 -3.271 11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 118 5.443 -5.971 13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.692 -5.417 15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.230 -2.564 13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.444 -3.497 15.181 1.00 0.00 H new ATOM 1825 N THR A 119 4.468 -6.123 7.416 1.00 0.00 N ATOM 1826 CA THR A 119 3.777 -5.147 6.583 1.00 0.00 C ATOM 1827 C THR A 119 2.703 -5.813 5.731 1.00 0.00 C ATOM 1828 O THR A 119 1.509 -5.610 5.951 1.00 0.00 O ATOM 1829 CB THR A 119 4.759 -4.401 5.660 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.853 -3.882 6.425 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.059 -3.264 4.930 1.00 0.00 C ATOM 0 H THR A 119 5.483 -6.118 7.318 1.00 0.00 H new ATOM 0 HA THR A 119 3.309 -4.431 7.258 1.00 0.00 H new ATOM 0 HB THR A 119 5.136 -5.108 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.491 -4.601 6.613 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.773 -2.752 4.284 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.246 -3.666 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.656 -2.558 5.657 1.00 0.00 H new ATOM 1839 N ARG A 120 3.135 -6.608 4.758 1.00 0.00 N ATOM 1840 CA ARG A 120 2.209 -7.304 3.872 1.00 0.00 C ATOM 1841 C ARG A 120 1.107 -7.994 4.671 1.00 0.00 C ATOM 1842 O ARG A 120 -0.039 -8.066 4.231 1.00 0.00 O ATOM 1843 CB ARG A 120 2.958 -8.331 3.022 1.00 0.00 C ATOM 1844 CG ARG A 120 2.331 -8.565 1.657 1.00 0.00 C ATOM 1845 CD ARG A 120 3.149 -9.544 0.829 1.00 0.00 C ATOM 1846 NE ARG A 120 2.347 -10.188 -0.207 1.00 0.00 N ATOM 1847 CZ ARG A 120 1.457 -11.143 0.040 1.00 0.00 C ATOM 1848 NH1 ARG A 120 1.256 -11.561 1.282 1.00 0.00 N ATOM 1849 NH2 ARG A 120 0.765 -11.681 -0.957 1.00 0.00 N ATOM 0 H ARG A 120 4.120 -6.786 4.563 1.00 0.00 H new ATOM 0 HA ARG A 120 1.749 -6.566 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.987 -7.998 2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.997 -9.277 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.319 -8.949 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.249 -7.617 1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.984 -9.018 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.575 -10.305 1.483 1.00 0.00 H new ATOM 0 HE ARG A 120 2.477 -9.888 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.785 -11.149 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.572 -12.294 1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.916 -11.361 -1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.082 -12.414 -0.766 1.00 0.00 H new ATOM 1863 N GLN A 121 1.465 -8.501 5.846 1.00 0.00 N ATOM 1864 CA GLN A 121 0.507 -9.187 6.705 1.00 0.00 C ATOM 1865 C GLN A 121 -0.544 -8.216 7.233 1.00 0.00 C ATOM 1866 O GLN A 121 -1.725 -8.549 7.314 1.00 0.00 O ATOM 1867 CB GLN A 121 1.229 -9.860 7.874 1.00 0.00 C ATOM 1868 CG GLN A 121 2.231 -10.919 7.442 1.00 0.00 C ATOM 1869 CD GLN A 121 2.357 -12.048 8.446 1.00 0.00 C ATOM 1870 OE1 GLN A 121 2.068 -11.875 9.631 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.791 -13.212 7.978 1.00 0.00 N ATOM 0 H GLN A 121 2.411 -8.450 6.225 1.00 0.00 H new ATOM 0 HA GLN A 121 0.005 -9.949 6.110 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.747 -9.098 8.457 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.490 -10.318 8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.929 -11.328 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.207 -10.454 7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.019 -13.311 6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.896 -14.007 8.608 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.104 -7.014 7.591 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.020 -6.013 8.107 1.00 0.00 C ATOM 1882 C GLY A 122 -1.298 -4.910 7.105 1.00 0.00 C ATOM 1883 O GLY A 122 -1.706 -3.810 7.479 1.00 0.00 O ATOM 0 H GLY A 122 0.870 -6.715 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.959 -6.493 8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.604 -5.578 9.016 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.076 -5.203 5.829 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.304 -4.226 4.770 1.00 0.00 C ATOM 1889 C TRP A 123 -2.699 -4.383 4.175 1.00 0.00 C ATOM 1890 O TRP A 123 -3.550 -3.508 4.329 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.248 -4.377 3.673 1.00 0.00 C ATOM 1892 CG TRP A 123 0.116 -3.080 3.017 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.093 -2.209 3.409 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.492 -2.506 1.855 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.128 -1.129 2.560 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.166 -1.288 1.598 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.528 -2.904 1.005 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.180 -0.466 0.529 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.870 -2.088 -0.056 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.197 -0.880 -0.287 1.00 0.00 C ATOM 0 H TRP A 123 -0.739 -6.108 5.502 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.226 -3.230 5.206 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.649 -4.824 4.101 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.618 -5.068 2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.742 -2.349 4.261 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.767 -0.337 2.634 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.052 -3.833 1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.336 0.466 0.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.669 -2.386 -0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.487 -0.264 -1.126 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.926 -5.504 3.497 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.219 -5.774 2.879 1.00 0.00 C ATOM 1913 C GLN A 124 -5.288 -6.016 3.939 1.00 0.00 C ATOM 1914 O GLN A 124 -6.470 -5.756 3.713 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.121 -6.985 1.950 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.207 -6.763 0.756 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.405 -7.999 0.398 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.436 -8.465 -0.742 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.679 -8.536 1.371 1.00 0.00 N ATOM 0 H GLN A 124 -2.232 -6.239 3.362 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.504 -4.899 2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.759 -7.841 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.118 -7.239 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.805 -6.461 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.524 -5.942 0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.683 -8.117 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.117 -9.368 1.189 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.865 -6.517 5.096 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.788 -6.796 6.190 1.00 0.00 C ATOM 1930 C ARG A 125 -6.675 -5.588 6.474 1.00 0.00 C ATOM 1931 O ARG A 125 -7.784 -5.727 6.991 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.013 -7.181 7.452 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.736 -8.672 7.565 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.149 -9.028 8.921 1.00 0.00 C ATOM 1935 NE ARG A 125 -4.064 -10.472 9.119 1.00 0.00 N ATOM 1936 CZ ARG A 125 -5.087 -11.221 9.515 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -6.267 -10.665 9.753 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -4.931 -12.530 9.672 1.00 0.00 N ATOM 0 H ARG A 125 -3.890 -6.738 5.299 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.424 -7.630 5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.066 -6.642 7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.576 -6.857 8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.661 -9.228 7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.046 -8.976 6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.155 -8.591 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.763 -8.590 9.708 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.170 -10.931 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -6.391 -9.660 9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -7.051 -11.243 10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.025 -12.961 9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.717 -13.104 9.976 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.180 -4.403 6.134 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.927 -3.170 6.355 1.00 0.00 C ATOM 1954 C TYR A 126 -7.186 -2.447 5.037 1.00 0.00 C ATOM 1955 O TYR A 126 -8.213 -1.789 4.869 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.165 -2.253 7.312 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.376 -2.997 8.366 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.911 -4.108 9.007 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.095 -2.591 8.719 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.194 -4.790 9.970 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.370 -3.268 9.680 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.924 -4.367 10.303 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.206 -5.045 11.262 1.00 0.00 O ATOM 0 H TYR A 126 -5.265 -4.270 5.704 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.887 -3.431 6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.484 -1.626 6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.873 -1.586 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.904 -4.444 8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.658 -1.731 8.233 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.625 -5.650 10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.375 -2.939 9.942 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.331 -4.619 11.377 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.248 -2.574 4.106 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.372 -1.931 2.803 1.00 0.00 C ATOM 1975 C TYR A 127 -7.520 -2.540 2.003 1.00 0.00 C ATOM 1976 O TYR A 127 -8.527 -1.881 1.741 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.065 -2.061 2.019 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.209 -0.815 2.059 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.932 -0.176 3.261 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.678 -0.277 0.893 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.151 0.963 3.301 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -2.895 0.861 0.924 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.635 1.477 2.130 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.856 2.611 2.166 1.00 0.00 O ATOM 0 H TYR A 127 -5.393 -3.116 4.229 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.586 -0.875 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.493 -2.898 2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.296 -2.300 0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.334 -0.576 4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.881 -0.756 -0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.946 1.448 4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.489 1.266 0.009 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.273 2.583 2.954 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.360 -3.801 1.617 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.382 -4.500 0.847 1.00 0.00 C ATOM 1996 C PHE A 128 -9.319 -5.278 1.766 1.00 0.00 C ATOM 1997 O PHE A 128 -10.493 -4.936 1.905 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.731 -5.452 -0.159 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.521 -4.872 -0.835 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.334 -3.501 -0.894 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.570 -5.700 -1.412 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.222 -2.964 -1.515 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.456 -5.169 -2.034 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.282 -3.800 -2.087 1.00 0.00 C ATOM 0 H PHE A 128 -6.532 -4.360 1.825 1.00 0.00 H new ATOM 0 HA PHE A 128 -8.967 -3.755 0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.446 -6.371 0.354 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.465 -5.725 -0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.066 -2.843 -0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.701 -6.771 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.088 -1.893 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.722 -5.824 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.413 -3.384 -2.575 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.791 -6.326 2.390 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.581 -7.154 3.294 1.00 0.00 C ATOM 2016 C GLU A 129 -10.624 -6.315 4.028 1.00 0.00 C ATOM 2017 O GLU A 129 -11.724 -6.785 4.315 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.671 -7.854 4.306 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.714 -8.852 3.675 1.00 0.00 C ATOM 2020 CD GLU A 129 -7.237 -9.904 4.657 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -7.983 -10.204 5.613 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -6.119 -10.427 4.470 1.00 0.00 O ATOM 0 H GLU A 129 -7.820 -6.622 2.286 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.098 -7.907 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.095 -7.102 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.288 -8.370 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.207 -9.341 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.853 -8.319 3.272 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.269 -5.069 4.328 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.184 -4.185 5.026 1.00 0.00 C ATOM 2031 C GLY A 130 -12.281 -3.656 4.123 1.00 0.00 C ATOM 2032 O GLY A 130 -13.445 -4.032 4.264 1.00 0.00 O ATOM 0 H GLY A 130 -9.364 -4.656 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.633 -4.719 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.627 -3.347 5.445 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.910 -2.782 3.194 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.871 -2.200 2.266 1.00 0.00 C ATOM 2038 C ILE A 131 -13.751 -3.277 1.640 1.00 0.00 C ATOM 2039 O ILE A 131 -14.955 -3.087 1.466 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.167 -1.413 1.145 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.297 -0.304 1.740 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.190 -0.832 0.181 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.288 0.262 0.765 1.00 0.00 C ATOM 0 H ILE A 131 -10.951 -2.461 3.064 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.492 -1.515 2.843 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.523 -2.096 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.941 0.502 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.770 -0.695 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.676 -0.279 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.771 -1.640 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.858 -0.160 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.707 1.043 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.620 -0.532 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.809 0.683 -0.095 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.142 -4.409 1.304 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.869 -5.519 0.700 1.00 0.00 C ATOM 2057 C LYS A 132 -15.030 -5.957 1.588 1.00 0.00 C ATOM 2058 O LYS A 132 -16.041 -6.460 1.099 1.00 0.00 O ATOM 2059 CB LYS A 132 -12.927 -6.700 0.455 1.00 0.00 C ATOM 2060 CG LYS A 132 -11.934 -6.462 -0.670 1.00 0.00 C ATOM 2061 CD LYS A 132 -10.983 -7.637 -0.832 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.404 -8.539 -1.981 1.00 0.00 C ATOM 2063 NZ LYS A 132 -11.272 -7.857 -3.299 1.00 0.00 N ATOM 0 H LYS A 132 -12.146 -4.582 1.440 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.272 -5.180 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.379 -6.914 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.520 -7.585 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.473 -6.297 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.363 -5.556 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -9.973 -7.267 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -10.954 -8.213 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -10.793 -9.442 -1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -12.438 -8.853 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -11.268 -8.567 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -12.073 -7.208 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.382 -7.319 -3.324 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.876 -5.762 2.893 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.913 -6.136 3.848 1.00 0.00 C ATOM 2079 C GLN A 133 -16.747 -4.924 4.250 1.00 0.00 C ATOM 2080 O GLN A 133 -17.965 -4.910 4.075 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.285 -6.772 5.090 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.347 -7.926 4.774 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.054 -9.266 4.757 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -15.391 -9.790 3.695 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.283 -9.830 5.938 1.00 0.00 N ATOM 0 H GLN A 133 -14.044 -5.348 3.314 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.569 -6.862 3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.736 -6.008 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.079 -7.129 5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.880 -7.754 3.804 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.547 -7.951 5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -14.986 -9.360 6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.755 -10.733 5.989 1.00 0.00 H new ATOM 2094 N THR A 134 -16.082 -3.907 4.790 1.00 0.00 N ATOM 2095 CA THR A 134 -16.762 -2.691 5.218 1.00 0.00 C ATOM 2096 C THR A 134 -17.617 -2.115 4.095 1.00 0.00 C ATOM 2097 O THR A 134 -18.819 -1.906 4.261 1.00 0.00 O ATOM 2098 CB THR A 134 -15.757 -1.620 5.684 1.00 0.00 C ATOM 2099 OG1 THR A 134 -15.003 -2.108 6.799 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.476 -0.337 6.073 1.00 0.00 C ATOM 0 H THR A 134 -15.073 -3.902 4.941 1.00 0.00 H new ATOM 0 HA THR A 134 -17.404 -2.965 6.055 1.00 0.00 H new ATOM 0 HB THR A 134 -15.081 -1.402 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.085 -2.301 6.514 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.746 0.405 6.399 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.025 0.047 5.213 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.172 -0.542 6.886 1.00 0.00 H new ATOM 2108 N PHE A 135 -16.990 -1.860 2.951 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.695 -1.308 1.800 1.00 0.00 C ATOM 2110 C PHE A 135 -18.350 -2.415 0.981 1.00 0.00 C ATOM 2111 O PHE A 135 -19.323 -2.180 0.265 1.00 0.00 O ATOM 2112 CB PHE A 135 -16.730 -0.509 0.921 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.235 0.753 1.567 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.562 0.709 2.777 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.441 1.983 0.963 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.106 1.869 3.374 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -15.987 3.146 1.555 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.317 3.089 2.762 1.00 0.00 C ATOM 0 H PHE A 135 -15.996 -2.027 2.797 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.476 -0.643 2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -15.876 -1.138 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.228 -0.257 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.392 -0.242 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -16.962 2.033 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.585 1.822 4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.156 4.099 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 135 -14.959 3.996 3.226 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.808 -3.625 1.091 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.352 -4.751 0.355 1.00 0.00 C ATOM 2130 C GLY A 136 -17.873 -4.790 -1.083 1.00 0.00 C ATOM 2131 O GLY A 136 -18.666 -4.981 -2.004 1.00 0.00 O ATOM 0 H GLY A 136 -17.002 -3.845 1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.069 -5.678 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.441 -4.700 0.371 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.571 -4.607 -1.276 1.00 0.00 N ATOM 2136 CA TYR A 137 -15.988 -4.617 -2.612 1.00 0.00 C ATOM 2137 C TYR A 137 -15.172 -5.886 -2.840 1.00 0.00 C ATOM 2138 O TYR A 137 -14.274 -5.919 -3.680 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.103 -3.386 -2.815 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.843 -2.077 -2.661 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.220 -2.009 -2.840 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.167 -0.907 -2.338 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.900 -0.815 -2.701 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.839 0.291 -2.196 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.206 0.332 -2.379 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.879 1.524 -2.240 1.00 0.00 O ATOM 0 H TYR A 137 -15.900 -4.450 -0.524 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.802 -4.594 -3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.283 -3.416 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.659 -3.428 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.767 -2.905 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.097 -0.935 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.970 -0.780 -2.844 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.298 1.191 -1.943 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.243 2.234 -2.011 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.493 -6.932 -2.084 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.782 -8.190 -2.217 1.00 0.00 C ATOM 2158 C GLY A 138 -15.629 -9.269 -2.864 1.00 0.00 C ATOM 2159 O GLY A 138 -16.819 -9.071 -3.105 1.00 0.00 O ATOM 0 H GLY A 138 -16.233 -6.930 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.882 -8.034 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.459 -8.527 -1.232 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.014 -10.412 -3.146 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.719 -11.526 -3.767 1.00 0.00 C ATOM 2165 C ALA A 139 -15.732 -12.747 -2.853 1.00 0.00 C ATOM 2166 O ALA A 139 -16.792 -13.288 -2.539 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.083 -11.873 -5.105 1.00 0.00 C ATOM 0 H ALA A 139 -14.028 -10.591 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.752 -11.221 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.620 -12.707 -5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.132 -11.008 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.041 -12.153 -4.951 1.00 0.00 H new ATOM 2173 N SER A 140 -14.547 -13.176 -2.430 1.00 0.00 N ATOM 2174 CA SER A 140 -14.423 -14.336 -1.555 1.00 0.00 C ATOM 2175 C SER A 140 -13.224 -14.187 -0.623 1.00 0.00 C ATOM 2176 O SER A 140 -12.389 -13.302 -0.804 1.00 0.00 O ATOM 2177 CB SER A 140 -14.283 -15.614 -2.385 1.00 0.00 C ATOM 2178 OG SER A 140 -12.981 -15.726 -2.934 1.00 0.00 O ATOM 0 H SER A 140 -13.660 -12.738 -2.679 1.00 0.00 H new ATOM 0 HA SER A 140 -15.326 -14.402 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A 140 -14.493 -16.482 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 140 -15.021 -15.613 -3.188 1.00 0.00 H new ATOM 0 HG SER A 140 -12.917 -16.552 -3.458 1.00 0.00 H new ATOM 2184 N GLY A 141 -13.147 -15.062 0.375 1.00 0.00 N ATOM 2185 CA GLY A 141 -12.048 -15.012 1.322 1.00 0.00 C ATOM 2186 C GLY A 141 -11.732 -16.370 1.917 1.00 0.00 C ATOM 2187 O GLY A 141 -12.592 -17.246 2.007 1.00 0.00 O ATOM 0 H GLY A 141 -13.826 -15.804 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -11.161 -14.622 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -12.295 -14.316 2.124 1.00 0.00 H new ATOM 2191 N PRO A 142 -10.472 -16.559 2.334 1.00 0.00 N ATOM 2192 CA PRO A 142 -10.016 -17.818 2.930 1.00 0.00 C ATOM 2193 C PRO A 142 -10.991 -18.352 3.973 1.00 0.00 C ATOM 2194 O PRO A 142 -11.328 -19.536 3.973 1.00 0.00 O ATOM 2195 CB PRO A 142 -8.685 -17.440 3.585 1.00 0.00 C ATOM 2196 CG PRO A 142 -8.180 -16.292 2.781 1.00 0.00 C ATOM 2197 CD PRO A 142 -9.395 -15.558 2.258 1.00 0.00 C ATOM 0 HA PRO A 142 -9.931 -18.612 2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -8.823 -17.161 4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -7.984 -18.274 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -7.564 -15.633 3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.555 -16.641 1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -9.622 -14.680 2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.243 -15.211 1.236 1.00 0.00 H new ATOM 2205 N SER A 143 -11.440 -17.472 4.862 1.00 0.00 N ATOM 2206 CA SER A 143 -12.374 -17.857 5.914 1.00 0.00 C ATOM 2207 C SER A 143 -13.810 -17.535 5.510 1.00 0.00 C ATOM 2208 O SER A 143 -14.652 -18.427 5.408 1.00 0.00 O ATOM 2209 CB SER A 143 -12.027 -17.140 7.220 1.00 0.00 C ATOM 2210 OG SER A 143 -10.879 -17.709 7.825 1.00 0.00 O ATOM 0 H SER A 143 -11.172 -16.488 4.875 1.00 0.00 H new ATOM 0 HA SER A 143 -12.290 -18.933 6.065 1.00 0.00 H new ATOM 0 HB2 SER A 143 -11.851 -16.083 7.022 1.00 0.00 H new ATOM 0 HB3 SER A 143 -12.871 -17.200 7.907 1.00 0.00 H new ATOM 0 HG SER A 143 -10.677 -17.232 8.657 1.00 0.00 H new ATOM 2216 N SER A 144 -14.080 -16.254 5.281 1.00 0.00 N ATOM 2217 CA SER A 144 -15.415 -15.813 4.891 1.00 0.00 C ATOM 2218 C SER A 144 -16.465 -16.329 5.870 1.00 0.00 C ATOM 2219 O SER A 144 -17.535 -16.782 5.468 1.00 0.00 O ATOM 2220 CB SER A 144 -15.741 -16.293 3.476 1.00 0.00 C ATOM 2221 OG SER A 144 -14.735 -15.898 2.559 1.00 0.00 O ATOM 0 H SER A 144 -13.393 -15.504 5.359 1.00 0.00 H new ATOM 0 HA SER A 144 -15.430 -14.723 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 144 -15.837 -17.379 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 144 -16.703 -15.886 3.163 1.00 0.00 H new ATOM 0 HG SER A 144 -14.233 -16.686 2.264 1.00 0.00 H new ATOM 2227 N GLY A 145 -16.149 -16.256 7.160 1.00 0.00 N ATOM 2228 CA GLY A 145 -17.075 -16.719 8.177 1.00 0.00 C ATOM 2229 C GLY A 145 -17.661 -15.580 8.989 1.00 0.00 C ATOM 2230 O GLY A 145 -17.740 -15.660 10.214 1.00 0.00 O ATOM 0 H GLY A 145 -15.269 -15.885 7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -17.883 -17.276 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -16.561 -17.410 8.845 1.00 0.00 H new TER 2234 GLY A 145