USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 920 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 105 SER OG : rot -50:sc= 1.79 USER MOD Set 1.2: B 108 THR OG1 : rot 74:sc= 0.476 USER MOD Set 2.1: B 102 THR OG1 : rot -138:sc= 0.896 USER MOD Set 2.2: B 104 THR OG1 : rot 180:sc= 1.1 USER MOD Set 3.1: B 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 68 ASN : amide:sc= 0.315 K(o=0.32,f=-0.3) USER MOD Set 4.1: B 40 SER OG : rot -63:sc= 1.09 USER MOD Set 4.2: B 41 HIS : no HD1:sc= 0 X(o=1.1,f=1) USER MOD Set 5.1: A 2 SER OG : rot 35:sc= 0.338 USER MOD Set 5.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 17 GLN : amide:sc= -3.7! C(o=-3.7!,f=-1.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc=-0.000757 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl -165:sc= -0.0462 (180deg=-0.371) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc=-0.00506 X(o=-0.0051,f=0) USER MOD Single : B 38 GLN : amide:sc= -2.25! C(o=-2.3!,f=-7!) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.0035) USER MOD Single : B 54 SER OG : rot 180:sc= -0.353 USER MOD Single : B 59 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00232) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.085) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ -166:sc= -0.0322 (180deg=-0.237) USER MOD Single : B 81 TYR OH : rot 30:sc=-0.00281 USER MOD Single : B 84 GLN : amide:sc= 0.293 X(o=0.29,f=-0.2) USER MOD Single : B 87 SER OG : rot -96:sc= 1.01 USER MOD Single : B 89 GLN : amide:sc= 0.278 K(o=0.28,f=-5.4!) USER MOD Single : B 90 GLN : amide:sc= -0.0624 K(o=-0.062,f=-0.95) USER MOD Single : B 91 TYR OH : rot 48:sc= 0.543 USER MOD Single : B 93 HIS : no HD1:sc= 1.01 K(o=1,f=-5.8!) USER MOD Single : B 94 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.73) USER MOD Single : B 97 THR OG1 : rot -144:sc= -0.946 USER MOD Single : B 103 THR OG1 : rot -170:sc= 0.0556 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 107 SER OG : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 180:sc= 0.0299 USER MOD Single : B 113 SER OG : rot -103:sc= 1.38 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : B 115 HIS : no HE2:sc= -0.218 K(o=-0.22,f=-0.75) USER MOD Single : B 116 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.5!) USER MOD Single : B 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : B 118 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.015) USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.646 21.621 18.387 1.00 0.00 N ATOM 2 CA GLY A 1 -5.724 20.515 18.035 1.00 0.00 C ATOM 3 C GLY A 1 -4.917 20.831 16.796 1.00 0.00 C ATOM 4 O GLY A 1 -5.480 21.092 15.734 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.182 21.368 19.241 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.098 22.486 18.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.306 21.786 17.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.049 20.324 18.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.297 19.602 17.873 1.00 0.00 H new ATOM 10 N SER A 2 -3.598 20.827 16.932 1.00 0.00 N ATOM 11 CA SER A 2 -2.719 21.132 15.817 1.00 0.00 C ATOM 12 C SER A 2 -2.610 19.943 14.871 1.00 0.00 C ATOM 13 O SER A 2 -2.199 18.855 15.274 1.00 0.00 O ATOM 14 CB SER A 2 -1.335 21.521 16.339 1.00 0.00 C ATOM 15 OG SER A 2 -0.802 20.506 17.176 1.00 0.00 O ATOM 0 H SER A 2 -3.115 20.615 17.805 1.00 0.00 H new ATOM 0 HA SER A 2 -3.141 21.970 15.262 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.662 21.695 15.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.402 22.457 16.894 1.00 0.00 H new ATOM 0 HG SER A 2 -1.078 19.627 16.841 1.00 0.00 H new ATOM 21 N GLN A 3 -2.992 20.149 13.620 1.00 0.00 N ATOM 22 CA GLN A 3 -2.864 19.116 12.601 1.00 0.00 C ATOM 23 C GLN A 3 -1.437 19.088 12.066 1.00 0.00 C ATOM 24 O GLN A 3 -1.172 19.526 10.946 1.00 0.00 O ATOM 25 CB GLN A 3 -3.846 19.366 11.453 1.00 0.00 C ATOM 26 CG GLN A 3 -5.306 19.331 11.869 1.00 0.00 C ATOM 27 CD GLN A 3 -6.245 19.526 10.694 1.00 0.00 C ATOM 28 OE1 GLN A 3 -6.606 20.652 10.350 1.00 0.00 O ATOM 29 NE2 GLN A 3 -6.653 18.431 10.072 1.00 0.00 N ATOM 0 H GLN A 3 -3.394 21.024 13.284 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.098 18.152 13.054 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.629 20.337 11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.682 18.617 10.679 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.522 18.376 12.349 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.489 20.109 12.610 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.331 17.516 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.289 18.503 9.278 1.00 0.00 H new ATOM 38 N THR A 4 -0.519 18.588 12.876 1.00 0.00 N ATOM 39 CA THR A 4 0.884 18.546 12.503 1.00 0.00 C ATOM 40 C THR A 4 1.237 17.208 11.857 1.00 0.00 C ATOM 41 O THR A 4 1.980 17.160 10.876 1.00 0.00 O ATOM 42 CB THR A 4 1.780 18.794 13.730 1.00 0.00 C ATOM 43 OG1 THR A 4 1.363 19.998 14.388 1.00 0.00 O ATOM 44 CG2 THR A 4 3.242 18.917 13.326 1.00 0.00 C ATOM 0 H THR A 4 -0.722 18.204 13.799 1.00 0.00 H new ATOM 0 HA THR A 4 1.060 19.338 11.775 1.00 0.00 H new ATOM 0 HB THR A 4 1.682 17.944 14.406 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.931 20.157 15.171 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.851 19.092 14.213 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.564 17.996 12.840 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.360 19.752 12.635 1.00 0.00 H new ATOM 52 N THR A 5 0.691 16.126 12.400 1.00 0.00 N ATOM 53 CA THR A 5 0.923 14.801 11.851 1.00 0.00 C ATOM 54 C THR A 5 0.042 14.579 10.625 1.00 0.00 C ATOM 55 O THR A 5 -0.978 13.889 10.692 1.00 0.00 O ATOM 56 CB THR A 5 0.635 13.706 12.899 1.00 0.00 C ATOM 57 OG1 THR A 5 1.174 14.096 14.167 1.00 0.00 O ATOM 58 CG2 THR A 5 1.248 12.376 12.481 1.00 0.00 C ATOM 0 H THR A 5 0.085 16.143 13.220 1.00 0.00 H new ATOM 0 HA THR A 5 1.972 14.737 11.563 1.00 0.00 H new ATOM 0 HB THR A 5 -0.445 13.584 12.975 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.988 13.399 14.830 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.030 11.621 13.237 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.826 12.065 11.526 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.328 12.488 12.381 1.00 0.00 H new ATOM 66 N ALA A 6 0.420 15.199 9.518 1.00 0.00 N ATOM 67 CA ALA A 6 -0.331 15.083 8.281 1.00 0.00 C ATOM 68 C ALA A 6 0.030 13.793 7.557 1.00 0.00 C ATOM 69 O ALA A 6 1.171 13.611 7.129 1.00 0.00 O ATOM 70 CB ALA A 6 -0.072 16.287 7.392 1.00 0.00 C ATOM 0 H ALA A 6 1.248 15.791 9.453 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.394 15.054 8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.642 16.186 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.379 17.195 7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.991 16.345 7.158 1.00 0.00 H new ATOM 76 N PRO A 7 -0.932 12.871 7.430 1.00 0.00 N ATOM 77 CA PRO A 7 -0.701 11.580 6.795 1.00 0.00 C ATOM 78 C PRO A 7 -0.728 11.659 5.271 1.00 0.00 C ATOM 79 O PRO A 7 -1.784 11.840 4.663 1.00 0.00 O ATOM 80 CB PRO A 7 -1.860 10.728 7.314 1.00 0.00 C ATOM 81 CG PRO A 7 -2.968 11.696 7.558 1.00 0.00 C ATOM 82 CD PRO A 7 -2.323 13.014 7.904 1.00 0.00 C ATOM 0 HA PRO A 7 0.285 11.178 7.031 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.150 9.970 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.586 10.203 8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.598 11.794 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.609 11.354 8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.828 13.846 7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.361 13.207 8.976 1.00 0.00 H new ATOM 90 N ASP A 8 0.443 11.554 4.664 1.00 0.00 N ATOM 91 CA ASP A 8 0.546 11.439 3.213 1.00 0.00 C ATOM 92 C ASP A 8 0.439 9.976 2.828 1.00 0.00 C ATOM 93 O ASP A 8 0.087 9.632 1.700 1.00 0.00 O ATOM 94 CB ASP A 8 1.869 12.008 2.702 1.00 0.00 C ATOM 95 CG ASP A 8 1.981 13.503 2.882 1.00 0.00 C ATOM 96 OD1 ASP A 8 2.522 13.949 3.917 1.00 0.00 O ATOM 97 OD2 ASP A 8 1.538 14.244 1.983 1.00 0.00 O ATOM 0 H ASP A 8 1.339 11.546 5.152 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.263 12.012 2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.693 11.523 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.977 11.766 1.645 1.00 0.00 H new ATOM 102 N ALA A 9 0.765 9.122 3.787 1.00 0.00 N ATOM 103 CA ALA A 9 0.617 7.687 3.635 1.00 0.00 C ATOM 104 C ALA A 9 -0.704 7.245 4.251 1.00 0.00 C ATOM 105 O ALA A 9 -1.006 7.604 5.392 1.00 0.00 O ATOM 106 CB ALA A 9 1.774 6.970 4.305 1.00 0.00 C ATOM 0 H ALA A 9 1.140 9.407 4.692 1.00 0.00 H new ATOM 0 HA ALA A 9 0.620 7.434 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.653 5.893 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.711 7.283 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.790 7.217 5.366 1.00 0.00 H new ATOM 112 N PRO A 10 -1.515 6.482 3.499 1.00 0.00 N ATOM 113 CA PRO A 10 -2.813 5.979 3.970 1.00 0.00 C ATOM 114 C PRO A 10 -2.723 5.335 5.353 1.00 0.00 C ATOM 115 O PRO A 10 -1.849 4.505 5.594 1.00 0.00 O ATOM 116 CB PRO A 10 -3.185 4.939 2.914 1.00 0.00 C ATOM 117 CG PRO A 10 -2.532 5.431 1.673 1.00 0.00 C ATOM 118 CD PRO A 10 -1.235 6.055 2.116 1.00 0.00 C ATOM 0 HA PRO A 10 -3.547 6.777 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.825 3.947 3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.266 4.863 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.355 4.614 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.162 6.158 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.412 5.342 2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.958 6.898 1.483 1.00 0.00 H new ATOM 126 N PRO A 11 -3.620 5.738 6.275 1.00 0.00 N ATOM 127 CA PRO A 11 -3.589 5.317 7.686 1.00 0.00 C ATOM 128 C PRO A 11 -3.301 3.828 7.891 1.00 0.00 C ATOM 129 O PRO A 11 -2.250 3.461 8.420 1.00 0.00 O ATOM 130 CB PRO A 11 -4.994 5.661 8.174 1.00 0.00 C ATOM 131 CG PRO A 11 -5.393 6.838 7.356 1.00 0.00 C ATOM 132 CD PRO A 11 -4.742 6.659 6.008 1.00 0.00 C ATOM 0 HA PRO A 11 -2.782 5.812 8.226 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.680 4.826 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.998 5.897 9.238 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.477 6.894 7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.066 7.766 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.438 6.241 5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.392 7.609 5.604 1.00 0.00 H new ATOM 140 N ASP A 12 -4.230 2.977 7.470 1.00 0.00 N ATOM 141 CA ASP A 12 -4.091 1.538 7.664 1.00 0.00 C ATOM 142 C ASP A 12 -4.853 0.787 6.582 1.00 0.00 C ATOM 143 O ASP A 12 -6.070 0.925 6.474 1.00 0.00 O ATOM 144 CB ASP A 12 -4.628 1.137 9.042 1.00 0.00 C ATOM 145 CG ASP A 12 -4.318 -0.306 9.411 1.00 0.00 C ATOM 146 OD1 ASP A 12 -3.329 -0.535 10.140 1.00 0.00 O ATOM 147 OD2 ASP A 12 -5.068 -1.213 8.999 1.00 0.00 O ATOM 0 H ASP A 12 -5.087 3.258 6.993 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.034 1.280 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.202 1.798 9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.708 1.286 9.061 1.00 0.00 H new ATOM 152 N PRO A 13 -4.151 0.015 5.742 1.00 0.00 N ATOM 153 CA PRO A 13 -4.793 -0.824 4.731 1.00 0.00 C ATOM 154 C PRO A 13 -5.592 -1.947 5.377 1.00 0.00 C ATOM 155 O PRO A 13 -5.029 -2.829 6.031 1.00 0.00 O ATOM 156 CB PRO A 13 -3.622 -1.393 3.918 1.00 0.00 C ATOM 157 CG PRO A 13 -2.444 -0.554 4.288 1.00 0.00 C ATOM 158 CD PRO A 13 -2.690 -0.100 5.696 1.00 0.00 C ATOM 0 HA PRO A 13 -5.501 -0.265 4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.449 -2.442 4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.823 -1.340 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.519 -1.126 4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.344 0.297 3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.316 -0.819 6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.201 0.851 5.907 1.00 0.00 H new ATOM 166 N THR A 14 -6.897 -1.917 5.185 1.00 0.00 N ATOM 167 CA THR A 14 -7.786 -2.857 5.835 1.00 0.00 C ATOM 168 C THR A 14 -8.153 -3.995 4.894 1.00 0.00 C ATOM 169 O THR A 14 -8.460 -3.772 3.724 1.00 0.00 O ATOM 170 CB THR A 14 -9.061 -2.150 6.326 1.00 0.00 C ATOM 171 OG1 THR A 14 -9.621 -1.356 5.270 1.00 0.00 O ATOM 172 CG2 THR A 14 -8.760 -1.266 7.522 1.00 0.00 C ATOM 0 H THR A 14 -7.367 -1.245 4.578 1.00 0.00 H new ATOM 0 HA THR A 14 -7.261 -3.272 6.696 1.00 0.00 H new ATOM 0 HB THR A 14 -9.779 -2.913 6.627 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.433 -0.911 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.676 -0.776 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.361 -1.875 8.333 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.026 -0.511 7.241 1.00 0.00 H new ATOM 180 N VAL A 15 -8.108 -5.211 5.407 1.00 0.00 N ATOM 181 CA VAL A 15 -8.354 -6.391 4.598 1.00 0.00 C ATOM 182 C VAL A 15 -9.697 -7.027 4.935 1.00 0.00 C ATOM 183 O VAL A 15 -9.911 -7.490 6.059 1.00 0.00 O ATOM 184 CB VAL A 15 -7.232 -7.434 4.792 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.593 -8.749 4.125 1.00 0.00 C ATOM 186 CG2 VAL A 15 -5.912 -6.904 4.249 1.00 0.00 C ATOM 0 H VAL A 15 -7.902 -5.408 6.386 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.371 -6.069 3.557 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.119 -7.616 5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.787 -9.467 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.512 -9.138 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.739 -8.587 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.132 -7.652 4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.016 -6.690 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.641 -5.990 4.778 1.00 0.00 H new ATOM 196 N ASP A 16 -10.603 -7.030 3.968 1.00 0.00 N ATOM 197 CA ASP A 16 -11.865 -7.742 4.116 1.00 0.00 C ATOM 198 C ASP A 16 -11.741 -9.132 3.516 1.00 0.00 C ATOM 199 O ASP A 16 -11.456 -9.281 2.327 1.00 0.00 O ATOM 200 CB ASP A 16 -13.019 -6.995 3.434 1.00 0.00 C ATOM 201 CG ASP A 16 -13.368 -5.684 4.108 1.00 0.00 C ATOM 202 OD1 ASP A 16 -13.463 -4.653 3.408 1.00 0.00 O ATOM 203 OD2 ASP A 16 -13.552 -5.672 5.340 1.00 0.00 O ATOM 0 H ASP A 16 -10.489 -6.549 3.076 1.00 0.00 H new ATOM 0 HA ASP A 16 -12.087 -7.811 5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.753 -6.801 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.901 -7.636 3.423 1.00 0.00 H new ATOM 208 N GLN A 17 -11.956 -10.149 4.332 1.00 0.00 N ATOM 209 CA GLN A 17 -11.880 -11.523 3.864 1.00 0.00 C ATOM 210 C GLN A 17 -13.275 -12.050 3.541 1.00 0.00 C ATOM 211 O GLN A 17 -13.890 -12.773 4.324 1.00 0.00 O ATOM 212 CB GLN A 17 -11.145 -12.433 4.874 1.00 0.00 C ATOM 213 CG GLN A 17 -11.747 -12.522 6.281 1.00 0.00 C ATOM 214 CD GLN A 17 -11.656 -11.229 7.072 1.00 0.00 C ATOM 215 OE1 GLN A 17 -10.641 -10.948 7.705 1.00 0.00 O ATOM 216 NE2 GLN A 17 -12.731 -10.454 7.075 1.00 0.00 N ATOM 0 H GLN A 17 -12.184 -10.050 5.321 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.291 -11.536 2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.102 -13.439 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.117 -12.081 4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.794 -12.814 6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.238 -13.311 6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.555 -10.722 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.735 -9.589 7.616 1.00 0.00 H new ATOM 225 N VAL A 18 -13.771 -11.669 2.373 1.00 0.00 N ATOM 226 CA VAL A 18 -15.113 -12.044 1.949 1.00 0.00 C ATOM 227 C VAL A 18 -15.084 -13.223 0.983 1.00 0.00 C ATOM 228 O VAL A 18 -16.099 -13.566 0.378 1.00 0.00 O ATOM 229 CB VAL A 18 -15.849 -10.860 1.285 1.00 0.00 C ATOM 230 CG1 VAL A 18 -16.092 -9.750 2.294 1.00 0.00 C ATOM 231 CG2 VAL A 18 -15.067 -10.335 0.087 1.00 0.00 C ATOM 0 H VAL A 18 -13.262 -11.098 1.699 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.653 -12.336 2.849 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.814 -11.218 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -16.612 -8.924 1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.702 -10.130 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -15.137 -9.398 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.607 -9.502 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.084 -9.996 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.950 -11.131 -0.648 1.00 0.00 H new ATOM 241 N ASP A 19 -13.918 -13.835 0.833 1.00 0.00 N ATOM 242 CA ASP A 19 -13.776 -14.991 -0.041 1.00 0.00 C ATOM 243 C ASP A 19 -12.832 -16.001 0.596 1.00 0.00 C ATOM 244 O ASP A 19 -12.387 -15.801 1.729 1.00 0.00 O ATOM 245 CB ASP A 19 -13.249 -14.570 -1.418 1.00 0.00 C ATOM 246 CG ASP A 19 -13.621 -15.550 -2.513 1.00 0.00 C ATOM 247 OD1 ASP A 19 -14.639 -15.323 -3.201 1.00 0.00 O ATOM 248 OD2 ASP A 19 -12.901 -16.552 -2.689 1.00 0.00 O ATOM 0 H ASP A 19 -13.059 -13.551 1.304 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.756 -15.449 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.644 -13.585 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.164 -14.476 -1.374 1.00 0.00 H new ATOM 253 N ASP A 20 -12.508 -17.064 -0.119 1.00 0.00 N ATOM 254 CA ASP A 20 -11.662 -18.115 0.431 1.00 0.00 C ATOM 255 C ASP A 20 -10.193 -17.733 0.314 1.00 0.00 C ATOM 256 O ASP A 20 -9.465 -17.709 1.307 1.00 0.00 O ATOM 257 CB ASP A 20 -11.917 -19.444 -0.281 1.00 0.00 C ATOM 258 CG ASP A 20 -11.079 -20.575 0.285 1.00 0.00 C ATOM 259 OD1 ASP A 20 -10.032 -20.900 -0.309 1.00 0.00 O ATOM 260 OD2 ASP A 20 -11.471 -21.151 1.326 1.00 0.00 O ATOM 0 H ASP A 20 -12.815 -17.224 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.911 -18.233 1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -12.973 -19.701 -0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.700 -19.331 -1.343 1.00 0.00 H new ATOM 265 N THR A 21 -9.774 -17.407 -0.898 1.00 0.00 N ATOM 266 CA THR A 21 -8.392 -17.043 -1.155 1.00 0.00 C ATOM 267 C THR A 21 -8.297 -15.659 -1.789 1.00 0.00 C ATOM 268 O THR A 21 -7.288 -15.305 -2.401 1.00 0.00 O ATOM 269 CB THR A 21 -7.713 -18.085 -2.062 1.00 0.00 C ATOM 270 OG1 THR A 21 -8.641 -18.548 -3.054 1.00 0.00 O ATOM 271 CG2 THR A 21 -7.200 -19.262 -1.253 1.00 0.00 C ATOM 0 H THR A 21 -10.375 -17.387 -1.722 1.00 0.00 H new ATOM 0 HA THR A 21 -7.873 -17.020 -0.197 1.00 0.00 H new ATOM 0 HB THR A 21 -6.864 -17.608 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.202 -19.209 -3.629 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.725 -19.982 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.473 -18.911 -0.521 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.033 -19.739 -0.737 1.00 0.00 H new ATOM 279 N SER A 22 -9.355 -14.881 -1.637 1.00 0.00 N ATOM 280 CA SER A 22 -9.395 -13.531 -2.172 1.00 0.00 C ATOM 281 C SER A 22 -9.845 -12.553 -1.095 1.00 0.00 C ATOM 282 O SER A 22 -10.717 -12.867 -0.280 1.00 0.00 O ATOM 283 CB SER A 22 -10.336 -13.465 -3.377 1.00 0.00 C ATOM 284 OG SER A 22 -9.991 -14.437 -4.350 1.00 0.00 O ATOM 0 H SER A 22 -10.202 -15.163 -1.144 1.00 0.00 H new ATOM 0 HA SER A 22 -8.393 -13.254 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.363 -13.624 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.293 -12.471 -3.821 1.00 0.00 H new ATOM 0 HG SER A 22 -10.609 -14.374 -5.108 1.00 0.00 H new ATOM 290 N ILE A 23 -9.238 -11.379 -1.084 1.00 0.00 N ATOM 291 CA ILE A 23 -9.566 -10.357 -0.101 1.00 0.00 C ATOM 292 C ILE A 23 -9.902 -9.047 -0.786 1.00 0.00 C ATOM 293 O ILE A 23 -9.641 -8.873 -1.974 1.00 0.00 O ATOM 294 CB ILE A 23 -8.393 -10.081 0.862 1.00 0.00 C ATOM 295 CG1 ILE A 23 -7.217 -9.473 0.089 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.976 -11.359 1.575 1.00 0.00 C ATOM 297 CD1 ILE A 23 -6.249 -8.690 0.948 1.00 0.00 C ATOM 0 H ILE A 23 -8.512 -11.108 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.419 -10.738 0.461 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.715 -9.367 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.674 -10.274 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.608 -8.817 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.147 -11.145 2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.819 -11.748 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.663 -12.100 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.447 -8.294 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.775 -7.866 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.826 -9.345 1.709 1.00 0.00 H new ATOM 309 N VAL A 24 -10.477 -8.132 -0.030 1.00 0.00 N ATOM 310 CA VAL A 24 -10.641 -6.767 -0.484 1.00 0.00 C ATOM 311 C VAL A 24 -9.845 -5.846 0.430 1.00 0.00 C ATOM 312 O VAL A 24 -10.231 -5.605 1.573 1.00 0.00 O ATOM 313 CB VAL A 24 -12.124 -6.332 -0.501 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.266 -4.925 -1.066 1.00 0.00 C ATOM 315 CG2 VAL A 24 -12.966 -7.316 -1.300 1.00 0.00 C ATOM 0 H VAL A 24 -10.840 -8.312 0.906 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.274 -6.703 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.487 -6.327 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.318 -4.639 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.701 -4.226 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.881 -4.902 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -14.006 -6.990 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.601 -7.358 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.895 -8.306 -0.849 1.00 0.00 H new ATOM 325 N VAL A 25 -8.720 -5.362 -0.069 1.00 0.00 N ATOM 326 CA VAL A 25 -7.858 -4.483 0.702 1.00 0.00 C ATOM 327 C VAL A 25 -8.201 -3.027 0.405 1.00 0.00 C ATOM 328 O VAL A 25 -8.167 -2.589 -0.746 1.00 0.00 O ATOM 329 CB VAL A 25 -6.357 -4.775 0.426 1.00 0.00 C ATOM 330 CG1 VAL A 25 -6.074 -4.854 -1.063 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.456 -3.743 1.086 1.00 0.00 C ATOM 0 H VAL A 25 -8.381 -5.565 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.031 -4.673 1.761 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.134 -5.747 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.015 -5.059 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.669 -5.654 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.334 -3.906 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.414 -3.979 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.691 -2.753 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.616 -3.756 2.164 1.00 0.00 H new ATOM 341 N ARG A 26 -8.573 -2.296 1.443 1.00 0.00 N ATOM 342 CA ARG A 26 -9.006 -0.917 1.294 1.00 0.00 C ATOM 343 C ARG A 26 -8.036 0.022 1.993 1.00 0.00 C ATOM 344 O ARG A 26 -7.416 -0.343 2.991 1.00 0.00 O ATOM 345 CB ARG A 26 -10.407 -0.729 1.879 1.00 0.00 C ATOM 346 CG ARG A 26 -11.405 -1.785 1.436 1.00 0.00 C ATOM 347 CD ARG A 26 -12.801 -1.479 1.951 1.00 0.00 C ATOM 348 NE ARG A 26 -13.723 -2.585 1.712 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.743 -2.544 0.856 1.00 0.00 C ATOM 350 NH1 ARG A 26 -14.957 -1.466 0.107 1.00 0.00 N ATOM 351 NH2 ARG A 26 -15.545 -3.594 0.740 1.00 0.00 N ATOM 0 H ARG A 26 -8.583 -2.638 2.404 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.029 -0.682 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.340 -0.740 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.781 0.254 1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.421 -1.839 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.088 -2.763 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.756 -1.268 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.179 -0.580 1.464 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.576 -3.448 2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.337 -0.660 0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.741 -1.446 -0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.379 -4.427 1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.328 -3.568 0.086 1.00 0.00 H new ATOM 365 N TRP A 27 -7.905 1.224 1.468 1.00 0.00 N ATOM 366 CA TRP A 27 -7.041 2.223 2.070 1.00 0.00 C ATOM 367 C TRP A 27 -7.735 3.580 2.115 1.00 0.00 C ATOM 368 O TRP A 27 -8.203 4.090 1.097 1.00 0.00 O ATOM 369 CB TRP A 27 -5.704 2.313 1.318 1.00 0.00 C ATOM 370 CG TRP A 27 -5.835 2.273 -0.177 1.00 0.00 C ATOM 371 CD1 TRP A 27 -6.074 3.327 -1.010 1.00 0.00 C ATOM 372 CD2 TRP A 27 -5.723 1.117 -1.017 1.00 0.00 C ATOM 373 NE1 TRP A 27 -6.134 2.895 -2.312 1.00 0.00 N ATOM 374 CE2 TRP A 27 -5.916 1.545 -2.343 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.482 -0.238 -0.774 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -5.875 0.666 -3.424 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.440 -1.107 -1.846 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.634 -0.653 -3.156 1.00 0.00 C ATOM 0 H TRP A 27 -8.386 1.534 0.624 1.00 0.00 H new ATOM 0 HA TRP A 27 -6.830 1.918 3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.201 3.237 1.603 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.064 1.491 1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.198 4.352 -0.692 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.312 3.485 -3.125 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.332 -0.598 0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.028 1.014 -4.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.254 -2.156 -1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.592 -1.359 -3.972 1.00 0.00 H new ATOM 389 N SER A 28 -7.817 4.140 3.313 1.00 0.00 N ATOM 390 CA SER A 28 -8.416 5.448 3.521 1.00 0.00 C ATOM 391 C SER A 28 -7.605 6.519 2.805 1.00 0.00 C ATOM 392 O SER A 28 -6.376 6.441 2.752 1.00 0.00 O ATOM 393 CB SER A 28 -8.477 5.745 5.024 1.00 0.00 C ATOM 394 OG SER A 28 -9.082 7.001 5.288 1.00 0.00 O ATOM 0 H SER A 28 -7.471 3.701 4.166 1.00 0.00 H new ATOM 0 HA SER A 28 -9.426 5.451 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.038 4.958 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.469 5.733 5.438 1.00 0.00 H new ATOM 0 HG SER A 28 -9.105 7.156 6.255 1.00 0.00 H new ATOM 400 N ARG A 29 -8.296 7.511 2.250 1.00 0.00 N ATOM 401 CA ARG A 29 -7.626 8.604 1.558 1.00 0.00 C ATOM 402 C ARG A 29 -6.787 9.397 2.547 1.00 0.00 C ATOM 403 O ARG A 29 -7.273 9.758 3.619 1.00 0.00 O ATOM 404 CB ARG A 29 -8.618 9.558 0.875 1.00 0.00 C ATOM 405 CG ARG A 29 -9.429 8.951 -0.263 1.00 0.00 C ATOM 406 CD ARG A 29 -10.533 8.051 0.259 1.00 0.00 C ATOM 407 NE ARG A 29 -11.446 7.609 -0.796 1.00 0.00 N ATOM 408 CZ ARG A 29 -12.461 6.769 -0.594 1.00 0.00 C ATOM 409 NH1 ARG A 29 -12.696 6.291 0.621 1.00 0.00 N ATOM 410 NH2 ARG A 29 -13.244 6.413 -1.606 1.00 0.00 N ATOM 0 H ARG A 29 -9.314 7.579 2.266 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.998 8.159 0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.308 9.938 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.065 10.414 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.863 9.748 -0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.770 8.379 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.089 7.179 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.098 8.583 1.024 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.297 7.964 -1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.100 6.566 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.473 5.648 0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.069 6.783 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.020 5.770 -1.449 1.00 0.00 H new ATOM 424 N PRO A 30 -5.515 9.635 2.209 1.00 0.00 N ATOM 425 CA PRO A 30 -4.603 10.461 3.011 1.00 0.00 C ATOM 426 C PRO A 30 -5.220 11.805 3.392 1.00 0.00 C ATOM 427 O PRO A 30 -5.380 12.663 2.499 1.00 0.00 O ATOM 428 CB PRO A 30 -3.409 10.673 2.079 1.00 0.00 C ATOM 429 CG PRO A 30 -3.416 9.491 1.174 1.00 0.00 C ATOM 430 CD PRO A 30 -4.857 9.086 1.013 1.00 0.00 C ATOM 431 OXT PRO A 30 -5.550 11.998 4.582 1.00 0.00 O ATOM 0 HA PRO A 30 -4.348 9.984 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.506 11.602 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.476 10.736 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.972 9.738 0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.828 8.676 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.287 9.494 0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.964 8.003 0.960 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 -6.811 29.289 3.340 1.00 0.00 N ATOM 441 CA MET B 31 -6.127 29.415 4.646 1.00 0.00 C ATOM 442 C MET B 31 -4.629 29.253 4.460 1.00 0.00 C ATOM 443 O MET B 31 -4.191 28.472 3.614 1.00 0.00 O ATOM 444 CB MET B 31 -6.647 28.366 5.636 1.00 0.00 C ATOM 445 CG MET B 31 -8.126 28.507 5.959 1.00 0.00 C ATOM 446 SD MET B 31 -8.683 27.349 7.225 1.00 0.00 S ATOM 447 CE MET B 31 -8.421 25.782 6.399 1.00 0.00 C ATOM 0 HA MET B 31 -6.336 30.405 5.052 1.00 0.00 H new ATOM 0 HB2 MET B 31 -6.467 27.372 5.226 1.00 0.00 H new ATOM 0 HB3 MET B 31 -6.074 28.437 6.561 1.00 0.00 H new ATOM 0 HG2 MET B 31 -8.324 29.525 6.293 1.00 0.00 H new ATOM 0 HG3 MET B 31 -8.707 28.351 5.050 1.00 0.00 H new ATOM 0 HE1 MET B 31 -8.955 24.996 6.932 1.00 0.00 H new ATOM 0 HE2 MET B 31 -8.792 25.843 5.376 1.00 0.00 H new ATOM 0 HE3 MET B 31 -7.356 25.552 6.385 1.00 0.00 H new ATOM 459 N ARG B 32 -3.857 29.988 5.259 1.00 0.00 N ATOM 460 CA ARG B 32 -2.400 29.996 5.163 1.00 0.00 C ATOM 461 C ARG B 32 -1.973 30.564 3.807 1.00 0.00 C ATOM 462 O ARG B 32 -1.179 29.967 3.076 1.00 0.00 O ATOM 463 CB ARG B 32 -1.831 28.583 5.391 1.00 0.00 C ATOM 464 CG ARG B 32 -0.311 28.520 5.473 1.00 0.00 C ATOM 465 CD ARG B 32 0.234 29.337 6.636 1.00 0.00 C ATOM 466 NE ARG B 32 -0.210 28.829 7.932 1.00 0.00 N ATOM 467 CZ ARG B 32 0.194 29.326 9.101 1.00 0.00 C ATOM 468 NH1 ARG B 32 1.048 30.341 9.136 1.00 0.00 N ATOM 469 NH2 ARG B 32 -0.259 28.812 10.236 1.00 0.00 N ATOM 0 H ARG B 32 -4.225 30.595 5.991 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.994 30.638 5.945 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.249 28.181 6.314 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.166 27.935 4.581 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.003 27.482 5.581 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.117 28.887 4.540 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.323 29.332 6.601 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -0.083 30.374 6.528 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.867 28.049 7.943 1.00 0.00 H new ATOM 0 HH11 ARG B 32 1.398 30.744 8.266 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.355 30.719 10.032 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.918 28.034 10.216 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.052 29.194 11.129 1.00 0.00 H new ATOM 483 N GLY B 33 -2.529 31.721 3.473 1.00 0.00 N ATOM 484 CA GLY B 33 -2.174 32.385 2.235 1.00 0.00 C ATOM 485 C GLY B 33 -3.286 32.335 1.209 1.00 0.00 C ATOM 486 O GLY B 33 -4.326 31.709 1.434 1.00 0.00 O ATOM 0 H GLY B 33 -3.221 32.212 4.039 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -1.923 33.425 2.444 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.280 31.919 1.820 1.00 0.00 H new ATOM 490 N SER B 34 -3.060 32.991 0.077 1.00 0.00 N ATOM 491 CA SER B 34 -4.028 33.027 -1.007 1.00 0.00 C ATOM 492 C SER B 34 -4.221 31.630 -1.587 1.00 0.00 C ATOM 493 O SER B 34 -5.323 31.261 -1.999 1.00 0.00 O ATOM 494 CB SER B 34 -3.558 33.998 -2.097 1.00 0.00 C ATOM 495 OG SER B 34 -4.555 34.195 -3.088 1.00 0.00 O ATOM 0 H SER B 34 -2.203 33.511 -0.113 1.00 0.00 H new ATOM 0 HA SER B 34 -4.984 33.375 -0.616 1.00 0.00 H new ATOM 0 HB2 SER B 34 -3.300 34.956 -1.645 1.00 0.00 H new ATOM 0 HB3 SER B 34 -2.652 33.611 -2.564 1.00 0.00 H new ATOM 0 HG SER B 34 -4.223 34.820 -3.766 1.00 0.00 H new ATOM 501 N ASN B 35 -3.147 30.855 -1.609 1.00 0.00 N ATOM 502 CA ASN B 35 -3.205 29.481 -2.084 1.00 0.00 C ATOM 503 C ASN B 35 -2.248 28.608 -1.285 1.00 0.00 C ATOM 504 O ASN B 35 -1.141 29.029 -0.949 1.00 0.00 O ATOM 505 CB ASN B 35 -2.879 29.404 -3.583 1.00 0.00 C ATOM 506 CG ASN B 35 -1.445 29.787 -3.909 1.00 0.00 C ATOM 507 OD1 ASN B 35 -1.134 30.961 -4.107 1.00 0.00 O ATOM 508 ND2 ASN B 35 -0.567 28.797 -3.994 1.00 0.00 N ATOM 0 H ASN B 35 -2.222 31.156 -1.302 1.00 0.00 H new ATOM 0 HA ASN B 35 -4.220 29.111 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -3.066 28.390 -3.936 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -3.556 30.061 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN B 35 0.405 28.996 -4.231 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -0.864 27.836 -3.823 1.00 0.00 H new ATOM 515 N ALA B 36 -2.682 27.399 -0.973 1.00 0.00 N ATOM 516 CA ALA B 36 -1.865 26.466 -0.215 1.00 0.00 C ATOM 517 C ALA B 36 -1.972 25.069 -0.814 1.00 0.00 C ATOM 518 O ALA B 36 -2.955 24.361 -0.579 1.00 0.00 O ATOM 519 CB ALA B 36 -2.284 26.455 1.249 1.00 0.00 C ATOM 0 H ALA B 36 -3.600 27.039 -1.234 1.00 0.00 H new ATOM 0 HA ALA B 36 -0.825 26.789 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.661 25.751 1.800 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -2.163 27.453 1.670 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -3.329 26.153 1.326 1.00 0.00 H new ATOM 525 N PRO B 37 -0.968 24.665 -1.610 1.00 0.00 N ATOM 526 CA PRO B 37 -0.967 23.363 -2.280 1.00 0.00 C ATOM 527 C PRO B 37 -0.874 22.212 -1.291 1.00 0.00 C ATOM 528 O PRO B 37 0.182 21.955 -0.705 1.00 0.00 O ATOM 529 CB PRO B 37 0.272 23.407 -3.178 1.00 0.00 C ATOM 530 CG PRO B 37 1.154 24.445 -2.575 1.00 0.00 C ATOM 531 CD PRO B 37 0.246 25.443 -1.911 1.00 0.00 C ATOM 0 HA PRO B 37 -1.890 23.192 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO B 37 0.770 22.438 -3.210 1.00 0.00 H new ATOM 0 HB3 PRO B 37 0.006 23.663 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO B 37 1.837 24.001 -1.851 1.00 0.00 H new ATOM 0 HG3 PRO B 37 1.766 24.925 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO B 37 0.694 25.852 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO B 37 0.029 26.286 -2.567 1.00 0.00 H new ATOM 539 N GLN B 38 -1.988 21.533 -1.100 1.00 0.00 N ATOM 540 CA GLN B 38 -2.045 20.407 -0.193 1.00 0.00 C ATOM 541 C GLN B 38 -1.581 19.146 -0.907 1.00 0.00 C ATOM 542 O GLN B 38 -2.132 18.787 -1.950 1.00 0.00 O ATOM 543 CB GLN B 38 -3.474 20.216 0.319 1.00 0.00 C ATOM 544 CG GLN B 38 -3.580 19.254 1.490 1.00 0.00 C ATOM 545 CD GLN B 38 -2.902 19.790 2.735 1.00 0.00 C ATOM 546 OE1 GLN B 38 -1.721 19.545 2.969 1.00 0.00 O ATOM 547 NE2 GLN B 38 -3.636 20.537 3.536 1.00 0.00 N ATOM 0 H GLN B 38 -2.871 21.745 -1.565 1.00 0.00 H new ATOM 0 HA GLN B 38 -1.388 20.602 0.655 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.876 21.184 0.618 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.097 19.851 -0.497 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -4.631 19.061 1.705 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -3.130 18.300 1.216 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -4.614 20.719 3.310 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -3.226 20.933 4.382 1.00 0.00 H new ATOM 556 N PRO B 39 -0.539 18.483 -0.382 1.00 0.00 N ATOM 557 CA PRO B 39 -0.071 17.202 -0.913 1.00 0.00 C ATOM 558 C PRO B 39 -1.197 16.175 -0.946 1.00 0.00 C ATOM 559 O PRO B 39 -1.588 15.626 0.084 1.00 0.00 O ATOM 560 CB PRO B 39 1.025 16.782 0.071 1.00 0.00 C ATOM 561 CG PRO B 39 1.485 18.054 0.689 1.00 0.00 C ATOM 562 CD PRO B 39 0.273 18.936 0.759 1.00 0.00 C ATOM 0 HA PRO B 39 0.287 17.278 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO B 39 0.640 16.093 0.823 1.00 0.00 H new ATOM 0 HB3 PRO B 39 1.842 16.272 -0.440 1.00 0.00 H new ATOM 0 HG2 PRO B 39 1.899 17.879 1.682 1.00 0.00 H new ATOM 0 HG3 PRO B 39 2.271 18.517 0.093 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -0.258 18.817 1.704 1.00 0.00 H new ATOM 0 HD3 PRO B 39 0.537 19.990 0.672 1.00 0.00 H new ATOM 570 N SER B 40 -1.730 15.945 -2.134 1.00 0.00 N ATOM 571 CA SER B 40 -2.880 15.080 -2.305 1.00 0.00 C ATOM 572 C SER B 40 -3.056 14.738 -3.780 1.00 0.00 C ATOM 573 O SER B 40 -2.127 14.928 -4.573 1.00 0.00 O ATOM 574 CB SER B 40 -4.128 15.776 -1.753 1.00 0.00 C ATOM 575 OG SER B 40 -4.242 17.094 -2.262 1.00 0.00 O ATOM 0 H SER B 40 -1.379 16.351 -3.001 1.00 0.00 H new ATOM 0 HA SER B 40 -2.727 14.151 -1.755 1.00 0.00 H new ATOM 0 HB2 SER B 40 -5.016 15.202 -2.018 1.00 0.00 H new ATOM 0 HB3 SER B 40 -4.081 15.806 -0.664 1.00 0.00 H new ATOM 0 HG SER B 40 -3.480 17.630 -1.956 1.00 0.00 H new ATOM 581 N HIS B 41 -4.243 14.252 -4.139 1.00 0.00 N ATOM 582 CA HIS B 41 -4.538 13.836 -5.505 1.00 0.00 C ATOM 583 C HIS B 41 -3.582 12.735 -5.933 1.00 0.00 C ATOM 584 O HIS B 41 -2.720 12.934 -6.792 1.00 0.00 O ATOM 585 CB HIS B 41 -4.474 15.019 -6.478 1.00 0.00 C ATOM 586 CG HIS B 41 -5.567 16.023 -6.278 1.00 0.00 C ATOM 587 ND1 HIS B 41 -6.666 16.113 -7.102 1.00 0.00 N ATOM 588 CD2 HIS B 41 -5.723 16.992 -5.344 1.00 0.00 C ATOM 589 CE1 HIS B 41 -7.447 17.090 -6.686 1.00 0.00 C ATOM 590 NE2 HIS B 41 -6.900 17.639 -5.620 1.00 0.00 N ATOM 0 H HIS B 41 -5.023 14.137 -3.492 1.00 0.00 H new ATOM 0 HA HIS B 41 -5.556 13.448 -5.529 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -3.511 15.517 -6.368 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -4.522 14.641 -7.499 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -5.046 17.214 -4.532 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -8.379 17.390 -7.142 1.00 0.00 H new ATOM 0 HE2 HIS B 41 -7.288 18.417 -5.088 1.00 0.00 H new ATOM 599 N ILE B 42 -3.730 11.583 -5.302 1.00 0.00 N ATOM 600 CA ILE B 42 -2.898 10.433 -5.604 1.00 0.00 C ATOM 601 C ILE B 42 -3.227 9.912 -6.997 1.00 0.00 C ATOM 602 O ILE B 42 -4.380 9.613 -7.307 1.00 0.00 O ATOM 603 CB ILE B 42 -3.067 9.300 -4.557 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.456 9.696 -3.203 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.429 8.011 -5.050 1.00 0.00 C ATOM 606 CD1 ILE B 42 -3.233 10.752 -2.446 1.00 0.00 C ATOM 0 H ILE B 42 -4.424 11.420 -4.572 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.858 10.757 -5.567 1.00 0.00 H new ATOM 0 HB ILE B 42 -4.136 9.139 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.378 8.805 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.442 10.059 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -2.559 7.231 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.904 7.703 -5.981 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.365 8.174 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.729 10.969 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -3.290 11.661 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -4.240 10.387 -2.243 1.00 0.00 H new ATOM 618 N SER B 43 -2.204 9.828 -7.830 1.00 0.00 N ATOM 619 CA SER B 43 -2.365 9.436 -9.216 1.00 0.00 C ATOM 620 C SER B 43 -2.588 7.932 -9.322 1.00 0.00 C ATOM 621 O SER B 43 -3.341 7.465 -10.180 1.00 0.00 O ATOM 622 CB SER B 43 -1.126 9.860 -10.013 1.00 0.00 C ATOM 623 OG SER B 43 -1.294 9.635 -11.402 1.00 0.00 O ATOM 0 H SER B 43 -1.240 10.030 -7.563 1.00 0.00 H new ATOM 0 HA SER B 43 -3.241 9.934 -9.632 1.00 0.00 H new ATOM 0 HB2 SER B 43 -0.924 10.917 -9.837 1.00 0.00 H new ATOM 0 HB3 SER B 43 -0.257 9.306 -9.657 1.00 0.00 H new ATOM 0 HG SER B 43 -0.486 9.918 -11.879 1.00 0.00 H new ATOM 629 N LYS B 44 -1.943 7.178 -8.437 1.00 0.00 N ATOM 630 CA LYS B 44 -2.079 5.729 -8.428 1.00 0.00 C ATOM 631 C LYS B 44 -1.601 5.142 -7.104 1.00 0.00 C ATOM 632 O LYS B 44 -0.695 5.679 -6.461 1.00 0.00 O ATOM 633 CB LYS B 44 -1.295 5.105 -9.589 1.00 0.00 C ATOM 634 CG LYS B 44 0.188 5.443 -9.583 1.00 0.00 C ATOM 635 CD LYS B 44 0.919 4.773 -10.734 1.00 0.00 C ATOM 636 CE LYS B 44 2.403 5.097 -10.712 1.00 0.00 C ATOM 637 NZ LYS B 44 3.125 4.493 -11.862 1.00 0.00 N ATOM 0 H LYS B 44 -1.322 7.548 -7.718 1.00 0.00 H new ATOM 0 HA LYS B 44 -3.137 5.494 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.411 4.022 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.730 5.440 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.316 6.523 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.630 5.128 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.780 3.693 -10.676 1.00 0.00 H new ATOM 0 HD3 LYS B 44 0.488 5.100 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.538 6.179 -10.728 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.839 4.735 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 4.134 4.740 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 3.019 3.459 -11.834 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.728 4.857 -12.751 1.00 0.00 H new ATOM 651 N TYR B 45 -2.231 4.052 -6.703 1.00 0.00 N ATOM 652 CA TYR B 45 -1.819 3.294 -5.533 1.00 0.00 C ATOM 653 C TYR B 45 -1.238 1.963 -5.995 1.00 0.00 C ATOM 654 O TYR B 45 -1.887 1.225 -6.738 1.00 0.00 O ATOM 655 CB TYR B 45 -3.011 3.026 -4.610 1.00 0.00 C ATOM 656 CG TYR B 45 -3.620 4.261 -3.981 1.00 0.00 C ATOM 657 CD1 TYR B 45 -3.073 4.816 -2.833 1.00 0.00 C ATOM 658 CD2 TYR B 45 -4.755 4.853 -4.518 1.00 0.00 C ATOM 659 CE1 TYR B 45 -3.638 5.926 -2.236 1.00 0.00 C ATOM 660 CE2 TYR B 45 -5.324 5.967 -3.928 1.00 0.00 C ATOM 661 CZ TYR B 45 -4.761 6.498 -2.787 1.00 0.00 C ATOM 662 OH TYR B 45 -5.325 7.607 -2.194 1.00 0.00 O ATOM 0 H TYR B 45 -3.045 3.666 -7.181 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.076 3.869 -4.981 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.783 2.507 -5.179 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.692 2.351 -3.816 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.190 4.372 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -5.200 4.437 -5.410 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.200 6.343 -1.341 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -6.205 6.419 -4.359 1.00 0.00 H new ATOM 0 HH TYR B 45 -6.111 7.888 -2.707 1.00 0.00 H new ATOM 672 N ILE B 46 -0.023 1.659 -5.586 1.00 0.00 N ATOM 673 CA ILE B 46 0.613 0.416 -5.990 1.00 0.00 C ATOM 674 C ILE B 46 0.560 -0.602 -4.854 1.00 0.00 C ATOM 675 O ILE B 46 1.089 -0.362 -3.769 1.00 0.00 O ATOM 676 CB ILE B 46 2.084 0.628 -6.438 1.00 0.00 C ATOM 677 CG1 ILE B 46 2.161 1.469 -7.718 1.00 0.00 C ATOM 678 CG2 ILE B 46 2.776 -0.705 -6.663 1.00 0.00 C ATOM 679 CD1 ILE B 46 1.917 2.944 -7.507 1.00 0.00 C ATOM 0 H ILE B 46 0.543 2.250 -4.977 1.00 0.00 H new ATOM 0 HA ILE B 46 0.057 0.036 -6.847 1.00 0.00 H new ATOM 0 HB ILE B 46 2.593 1.165 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE B 46 3.145 1.336 -8.168 1.00 0.00 H new ATOM 0 HG13 ILE B 46 1.430 1.090 -8.432 1.00 0.00 H new ATOM 0 HG21 ILE B 46 3.806 -0.532 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.770 -1.279 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE B 46 2.250 -1.262 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE B 46 1.990 3.465 -8.462 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.922 3.092 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.663 3.341 -6.819 1.00 0.00 H new ATOM 691 N LEU B 47 -0.094 -1.725 -5.109 1.00 0.00 N ATOM 692 CA LEU B 47 -0.209 -2.794 -4.128 1.00 0.00 C ATOM 693 C LEU B 47 0.807 -3.881 -4.466 1.00 0.00 C ATOM 694 O LEU B 47 0.685 -4.551 -5.491 1.00 0.00 O ATOM 695 CB LEU B 47 -1.639 -3.370 -4.156 1.00 0.00 C ATOM 696 CG LEU B 47 -2.160 -4.037 -2.866 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.248 -5.153 -2.393 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.357 -3.015 -1.761 1.00 0.00 C ATOM 0 H LEU B 47 -0.558 -1.921 -5.996 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.009 -2.409 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.323 -2.562 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.691 -4.104 -4.960 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.126 -4.479 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.654 -5.593 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.178 -5.918 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.256 -4.750 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -2.725 -3.515 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.406 -2.529 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -3.082 -2.267 -2.082 1.00 0.00 H new ATOM 710 N ARG B 48 1.819 -4.042 -3.627 1.00 0.00 N ATOM 711 CA ARG B 48 2.823 -5.075 -3.848 1.00 0.00 C ATOM 712 C ARG B 48 2.915 -5.975 -2.630 1.00 0.00 C ATOM 713 O ARG B 48 3.239 -5.515 -1.539 1.00 0.00 O ATOM 714 CB ARG B 48 4.193 -4.457 -4.140 1.00 0.00 C ATOM 715 CG ARG B 48 4.137 -3.307 -5.127 1.00 0.00 C ATOM 716 CD ARG B 48 5.509 -2.945 -5.671 1.00 0.00 C ATOM 717 NE ARG B 48 6.473 -2.661 -4.614 1.00 0.00 N ATOM 718 CZ ARG B 48 7.736 -3.090 -4.633 1.00 0.00 C ATOM 719 NH1 ARG B 48 8.190 -3.786 -5.671 1.00 0.00 N ATOM 720 NH2 ARG B 48 8.552 -2.812 -3.625 1.00 0.00 N ATOM 0 H ARG B 48 1.968 -3.476 -2.792 1.00 0.00 H new ATOM 0 HA ARG B 48 2.521 -5.664 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.630 -4.104 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.856 -5.229 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG B 48 3.479 -3.573 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.700 -2.435 -4.641 1.00 0.00 H new ATOM 0 HD2 ARG B 48 5.880 -3.765 -6.286 1.00 0.00 H new ATOM 0 HD3 ARG B 48 5.420 -2.074 -6.321 1.00 0.00 H new ATOM 0 HE ARG B 48 6.165 -2.104 -3.817 1.00 0.00 H new ATOM 0 HH11 ARG B 48 7.572 -3.993 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG B 48 9.156 -4.113 -5.683 1.00 0.00 H new ATOM 0 HH21 ARG B 48 8.215 -2.268 -2.831 1.00 0.00 H new ATOM 0 HH22 ARG B 48 9.517 -3.142 -3.644 1.00 0.00 H new ATOM 734 N TRP B 49 2.635 -7.252 -2.812 1.00 0.00 N ATOM 735 CA TRP B 49 2.630 -8.182 -1.698 1.00 0.00 C ATOM 736 C TRP B 49 3.490 -9.400 -1.997 1.00 0.00 C ATOM 737 O TRP B 49 3.595 -9.843 -3.142 1.00 0.00 O ATOM 738 CB TRP B 49 1.197 -8.609 -1.353 1.00 0.00 C ATOM 739 CG TRP B 49 0.533 -9.459 -2.398 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.346 -10.810 -2.351 1.00 0.00 C ATOM 741 CD2 TRP B 49 -0.032 -9.019 -3.639 1.00 0.00 C ATOM 742 NE1 TRP B 49 -0.304 -11.237 -3.482 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.544 -10.155 -4.290 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.153 -7.774 -4.262 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -1.168 -10.080 -5.533 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.772 -7.701 -5.493 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.274 -8.847 -6.119 1.00 0.00 C ATOM 0 H TRP B 49 2.409 -7.668 -3.716 1.00 0.00 H new ATOM 0 HA TRP B 49 3.056 -7.670 -0.835 1.00 0.00 H new ATOM 0 HB2 TRP B 49 1.211 -9.158 -0.411 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.594 -7.716 -1.192 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.663 -11.450 -1.541 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.566 -12.201 -3.688 1.00 0.00 H new ATOM 0 HE3 TRP B 49 0.232 -6.883 -3.788 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.555 -10.964 -6.018 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -0.871 -6.743 -5.982 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.754 -8.758 -7.082 1.00 0.00 H new ATOM 758 N ARG B 50 4.123 -9.917 -0.961 1.00 0.00 N ATOM 759 CA ARG B 50 4.930 -11.118 -1.076 1.00 0.00 C ATOM 760 C ARG B 50 4.718 -12.009 0.134 1.00 0.00 C ATOM 761 O ARG B 50 5.016 -11.607 1.259 1.00 0.00 O ATOM 762 CB ARG B 50 6.411 -10.762 -1.183 1.00 0.00 C ATOM 763 CG ARG B 50 7.318 -11.977 -1.267 1.00 0.00 C ATOM 764 CD ARG B 50 8.780 -11.582 -1.218 1.00 0.00 C ATOM 765 NE ARG B 50 9.149 -10.988 0.065 1.00 0.00 N ATOM 766 CZ ARG B 50 10.367 -10.529 0.345 1.00 0.00 C ATOM 767 NH1 ARG B 50 11.321 -10.556 -0.580 1.00 0.00 N ATOM 768 NH2 ARG B 50 10.622 -10.023 1.542 1.00 0.00 N ATOM 0 H ARG B 50 4.093 -9.520 -0.022 1.00 0.00 H new ATOM 0 HA ARG B 50 4.623 -11.648 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.565 -10.141 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.697 -10.163 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG B 50 7.096 -12.656 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG B 50 7.117 -12.519 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG B 50 9.398 -12.461 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.990 -10.873 -2.019 1.00 0.00 H new ATOM 0 HE ARG B 50 8.432 -10.921 0.788 1.00 0.00 H new ATOM 0 HH11 ARG B 50 11.121 -10.929 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG B 50 12.253 -10.203 -0.362 1.00 0.00 H new ATOM 0 HH21 ARG B 50 9.886 -9.986 2.247 1.00 0.00 H new ATOM 0 HH22 ARG B 50 11.554 -9.671 1.759 1.00 0.00 H new ATOM 782 N PRO B 51 4.179 -13.218 -0.073 1.00 0.00 N ATOM 783 CA PRO B 51 4.042 -14.204 0.998 1.00 0.00 C ATOM 784 C PRO B 51 5.382 -14.487 1.662 1.00 0.00 C ATOM 785 O PRO B 51 6.402 -14.633 0.990 1.00 0.00 O ATOM 786 CB PRO B 51 3.520 -15.450 0.279 1.00 0.00 C ATOM 787 CG PRO B 51 2.861 -14.929 -0.951 1.00 0.00 C ATOM 788 CD PRO B 51 3.650 -13.715 -1.356 1.00 0.00 C ATOM 0 HA PRO B 51 3.382 -13.864 1.796 1.00 0.00 H new ATOM 0 HB2 PRO B 51 4.332 -16.135 0.033 1.00 0.00 H new ATOM 0 HB3 PRO B 51 2.816 -16.001 0.902 1.00 0.00 H new ATOM 0 HG2 PRO B 51 2.863 -15.678 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO B 51 1.820 -14.672 -0.758 1.00 0.00 H new ATOM 0 HD2 PRO B 51 4.450 -13.968 -2.051 1.00 0.00 H new ATOM 0 HD3 PRO B 51 3.023 -12.972 -1.848 1.00 0.00 H new ATOM 796 N LYS B 52 5.369 -14.549 2.987 1.00 0.00 N ATOM 797 CA LYS B 52 6.578 -14.769 3.772 1.00 0.00 C ATOM 798 C LYS B 52 7.196 -16.122 3.460 1.00 0.00 C ATOM 799 O LYS B 52 8.400 -16.320 3.616 1.00 0.00 O ATOM 800 CB LYS B 52 6.247 -14.689 5.260 1.00 0.00 C ATOM 801 CG LYS B 52 5.947 -13.282 5.756 1.00 0.00 C ATOM 802 CD LYS B 52 7.183 -12.395 5.720 1.00 0.00 C ATOM 803 CE LYS B 52 8.301 -12.949 6.591 1.00 0.00 C ATOM 804 NZ LYS B 52 9.465 -12.028 6.662 1.00 0.00 N ATOM 0 H LYS B 52 4.523 -14.449 3.547 1.00 0.00 H new ATOM 0 HA LYS B 52 7.299 -13.994 3.511 1.00 0.00 H new ATOM 0 HB2 LYS B 52 5.386 -15.326 5.464 1.00 0.00 H new ATOM 0 HB3 LYS B 52 7.084 -15.092 5.830 1.00 0.00 H new ATOM 0 HG2 LYS B 52 5.164 -12.839 5.141 1.00 0.00 H new ATOM 0 HG3 LYS B 52 5.563 -13.330 6.775 1.00 0.00 H new ATOM 0 HD2 LYS B 52 7.534 -12.303 4.692 1.00 0.00 H new ATOM 0 HD3 LYS B 52 6.921 -11.393 6.059 1.00 0.00 H new ATOM 0 HE2 LYS B 52 7.921 -13.130 7.596 1.00 0.00 H new ATOM 0 HE3 LYS B 52 8.625 -13.912 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 10.202 -12.446 7.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 9.846 -11.875 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 9.163 -11.118 7.064 1.00 0.00 H new ATOM 818 N ASN B 53 6.358 -17.050 3.027 1.00 0.00 N ATOM 819 CA ASN B 53 6.807 -18.385 2.662 1.00 0.00 C ATOM 820 C ASN B 53 7.511 -18.355 1.301 1.00 0.00 C ATOM 821 O ASN B 53 8.236 -19.279 0.942 1.00 0.00 O ATOM 822 CB ASN B 53 5.607 -19.339 2.641 1.00 0.00 C ATOM 823 CG ASN B 53 5.992 -20.777 2.353 1.00 0.00 C ATOM 824 OD1 ASN B 53 6.273 -21.558 3.263 1.00 0.00 O ATOM 825 ND2 ASN B 53 6.001 -21.131 1.085 1.00 0.00 N ATOM 0 H ASN B 53 5.355 -16.902 2.919 1.00 0.00 H new ATOM 0 HA ASN B 53 7.524 -18.742 3.401 1.00 0.00 H new ATOM 0 HB2 ASN B 53 5.097 -19.292 3.603 1.00 0.00 H new ATOM 0 HB3 ASN B 53 4.896 -19.002 1.887 1.00 0.00 H new ATOM 0 HD21 ASN B 53 6.248 -22.086 0.824 1.00 0.00 H new ATOM 0 HD22 ASN B 53 5.761 -20.451 0.364 1.00 0.00 H new ATOM 832 N SER B 54 7.301 -17.277 0.556 1.00 0.00 N ATOM 833 CA SER B 54 7.936 -17.100 -0.742 1.00 0.00 C ATOM 834 C SER B 54 9.357 -16.567 -0.573 1.00 0.00 C ATOM 835 O SER B 54 9.648 -15.809 0.356 1.00 0.00 O ATOM 836 CB SER B 54 7.106 -16.147 -1.602 1.00 0.00 C ATOM 837 OG SER B 54 5.788 -16.641 -1.767 1.00 0.00 O ATOM 0 H SER B 54 6.691 -16.507 0.832 1.00 0.00 H new ATOM 0 HA SER B 54 7.991 -18.067 -1.242 1.00 0.00 H new ATOM 0 HB2 SER B 54 7.075 -15.162 -1.136 1.00 0.00 H new ATOM 0 HB3 SER B 54 7.578 -16.024 -2.577 1.00 0.00 H new ATOM 0 HG SER B 54 5.271 -16.017 -2.319 1.00 0.00 H new ATOM 843 N VAL B 55 10.231 -16.979 -1.487 1.00 0.00 N ATOM 844 CA VAL B 55 11.657 -16.732 -1.373 1.00 0.00 C ATOM 845 C VAL B 55 12.042 -15.275 -1.665 1.00 0.00 C ATOM 846 O VAL B 55 12.911 -14.722 -0.991 1.00 0.00 O ATOM 847 CB VAL B 55 12.449 -17.688 -2.298 1.00 0.00 C ATOM 848 CG1 VAL B 55 12.049 -17.512 -3.754 1.00 0.00 C ATOM 849 CG2 VAL B 55 13.943 -17.489 -2.126 1.00 0.00 C ATOM 0 H VAL B 55 9.966 -17.494 -2.327 1.00 0.00 H new ATOM 0 HA VAL B 55 11.921 -16.926 -0.333 1.00 0.00 H new ATOM 0 HB VAL B 55 12.201 -18.709 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL B 55 12.625 -18.198 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.986 -17.724 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL B 55 12.249 -16.487 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL B 55 14.479 -18.171 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL B 55 14.204 -16.461 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL B 55 14.220 -17.692 -1.092 1.00 0.00 H new ATOM 859 N GLY B 56 11.408 -14.640 -2.650 1.00 0.00 N ATOM 860 CA GLY B 56 11.829 -13.294 -2.999 1.00 0.00 C ATOM 861 C GLY B 56 10.869 -12.525 -3.878 1.00 0.00 C ATOM 862 O GLY B 56 10.712 -11.319 -3.704 1.00 0.00 O ATOM 0 H GLY B 56 10.635 -15.019 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY B 56 11.985 -12.730 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY B 56 12.793 -13.352 -3.505 1.00 0.00 H new ATOM 866 N ARG B 57 10.229 -13.205 -4.813 1.00 0.00 N ATOM 867 CA ARG B 57 9.384 -12.533 -5.805 1.00 0.00 C ATOM 868 C ARG B 57 8.212 -11.788 -5.179 1.00 0.00 C ATOM 869 O ARG B 57 7.440 -12.352 -4.403 1.00 0.00 O ATOM 870 CB ARG B 57 8.845 -13.518 -6.835 1.00 0.00 C ATOM 871 CG ARG B 57 9.872 -13.964 -7.855 1.00 0.00 C ATOM 872 CD ARG B 57 9.230 -14.801 -8.946 1.00 0.00 C ATOM 873 NE ARG B 57 10.167 -15.091 -10.025 1.00 0.00 N ATOM 874 CZ ARG B 57 9.806 -15.317 -11.283 1.00 0.00 C ATOM 875 NH1 ARG B 57 8.523 -15.296 -11.626 1.00 0.00 N ATOM 876 NH2 ARG B 57 10.732 -15.565 -12.199 1.00 0.00 N ATOM 0 H ARG B 57 10.273 -14.219 -4.913 1.00 0.00 H new ATOM 0 HA ARG B 57 10.031 -11.804 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG B 57 8.458 -14.395 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG B 57 8.005 -13.060 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG B 57 10.353 -13.091 -8.297 1.00 0.00 H new ATOM 0 HG3 ARG B 57 10.653 -14.542 -7.361 1.00 0.00 H new ATOM 0 HD2 ARG B 57 8.865 -15.736 -8.520 1.00 0.00 H new ATOM 0 HD3 ARG B 57 8.365 -14.274 -9.347 1.00 0.00 H new ATOM 0 HE ARG B 57 11.161 -15.122 -9.800 1.00 0.00 H new ATOM 0 HH11 ARG B 57 7.810 -15.106 -10.922 1.00 0.00 H new ATOM 0 HH12 ARG B 57 8.251 -15.470 -12.593 1.00 0.00 H new ATOM 0 HH21 ARG B 57 11.717 -15.582 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG B 57 10.459 -15.739 -13.166 1.00 0.00 H new ATOM 890 N TRP B 58 8.092 -10.517 -5.531 1.00 0.00 N ATOM 891 CA TRP B 58 6.962 -9.698 -5.120 1.00 0.00 C ATOM 892 C TRP B 58 5.867 -9.734 -6.181 1.00 0.00 C ATOM 893 O TRP B 58 6.159 -9.770 -7.380 1.00 0.00 O ATOM 894 CB TRP B 58 7.399 -8.246 -4.896 1.00 0.00 C ATOM 895 CG TRP B 58 8.368 -8.068 -3.766 1.00 0.00 C ATOM 896 CD1 TRP B 58 9.723 -8.218 -3.816 1.00 0.00 C ATOM 897 CD2 TRP B 58 8.053 -7.691 -2.421 1.00 0.00 C ATOM 898 NE1 TRP B 58 10.270 -7.967 -2.582 1.00 0.00 N ATOM 899 CE2 TRP B 58 9.265 -7.640 -1.709 1.00 0.00 C ATOM 900 CE3 TRP B 58 6.864 -7.396 -1.750 1.00 0.00 C ATOM 901 CZ2 TRP B 58 9.321 -7.306 -0.358 1.00 0.00 C ATOM 902 CZ3 TRP B 58 6.920 -7.064 -0.410 1.00 0.00 C ATOM 903 CH2 TRP B 58 8.141 -7.021 0.274 1.00 0.00 C ATOM 0 H TRP B 58 8.774 -10.025 -6.109 1.00 0.00 H new ATOM 0 HA TRP B 58 6.576 -10.103 -4.185 1.00 0.00 H new ATOM 0 HB2 TRP B 58 7.852 -7.868 -5.813 1.00 0.00 H new ATOM 0 HB3 TRP B 58 6.516 -7.637 -4.703 1.00 0.00 H new ATOM 0 HD1 TRP B 58 10.283 -8.494 -4.697 1.00 0.00 H new ATOM 0 HE1 TRP B 58 11.263 -8.016 -2.352 1.00 0.00 H new ATOM 0 HE3 TRP B 58 5.918 -7.427 -2.269 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 10.262 -7.273 0.172 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 6.007 -6.834 0.119 1.00 0.00 H new ATOM 0 HH2 TRP B 58 8.152 -6.758 1.321 1.00 0.00 H new ATOM 914 N LYS B 59 4.618 -9.742 -5.746 1.00 0.00 N ATOM 915 CA LYS B 59 3.491 -9.599 -6.657 1.00 0.00 C ATOM 916 C LYS B 59 3.043 -8.146 -6.655 1.00 0.00 C ATOM 917 O LYS B 59 2.865 -7.554 -5.592 1.00 0.00 O ATOM 918 CB LYS B 59 2.337 -10.515 -6.246 1.00 0.00 C ATOM 919 CG LYS B 59 2.618 -11.994 -6.456 1.00 0.00 C ATOM 920 CD LYS B 59 1.436 -12.847 -6.024 1.00 0.00 C ATOM 921 CE LYS B 59 1.588 -14.292 -6.472 1.00 0.00 C ATOM 922 NZ LYS B 59 2.770 -14.955 -5.861 1.00 0.00 N ATOM 0 H LYS B 59 4.357 -9.846 -4.765 1.00 0.00 H new ATOM 0 HA LYS B 59 3.800 -9.889 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS B 59 2.108 -10.345 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS B 59 1.448 -10.240 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS B 59 2.838 -12.179 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.504 -12.282 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS B 59 1.339 -12.811 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS B 59 0.518 -12.432 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS B 59 0.688 -14.847 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS B 59 1.678 -14.325 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 2.820 -15.942 -6.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 3.635 -14.453 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 2.683 -14.934 -4.825 1.00 0.00 H new ATOM 936 N GLU B 60 2.874 -7.565 -7.833 1.00 0.00 N ATOM 937 CA GLU B 60 2.652 -6.130 -7.934 1.00 0.00 C ATOM 938 C GLU B 60 1.424 -5.810 -8.777 1.00 0.00 C ATOM 939 O GLU B 60 1.285 -6.305 -9.896 1.00 0.00 O ATOM 940 CB GLU B 60 3.880 -5.459 -8.551 1.00 0.00 C ATOM 941 CG GLU B 60 5.195 -5.874 -7.911 1.00 0.00 C ATOM 942 CD GLU B 60 6.390 -5.264 -8.608 1.00 0.00 C ATOM 943 OE1 GLU B 60 6.984 -4.312 -8.058 1.00 0.00 O ATOM 944 OE2 GLU B 60 6.730 -5.720 -9.719 1.00 0.00 O ATOM 0 H GLU B 60 2.886 -8.059 -8.725 1.00 0.00 H new ATOM 0 HA GLU B 60 2.483 -5.748 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.915 -5.694 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.772 -4.378 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU B 60 5.197 -5.575 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU B 60 5.280 -6.960 -7.933 1.00 0.00 H new ATOM 951 N ALA B 61 0.545 -4.975 -8.239 1.00 0.00 N ATOM 952 CA ALA B 61 -0.637 -4.528 -8.960 1.00 0.00 C ATOM 953 C ALA B 61 -0.805 -3.015 -8.829 1.00 0.00 C ATOM 954 O ALA B 61 -0.665 -2.460 -7.738 1.00 0.00 O ATOM 955 CB ALA B 61 -1.876 -5.247 -8.445 1.00 0.00 C ATOM 0 H ALA B 61 0.631 -4.591 -7.298 1.00 0.00 H new ATOM 0 HA ALA B 61 -0.509 -4.770 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -2.752 -4.902 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -1.759 -6.321 -8.587 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.006 -5.034 -7.384 1.00 0.00 H new ATOM 961 N THR B 62 -1.098 -2.352 -9.938 1.00 0.00 N ATOM 962 CA THR B 62 -1.301 -0.910 -9.933 1.00 0.00 C ATOM 963 C THR B 62 -2.788 -0.573 -9.926 1.00 0.00 C ATOM 964 O THR B 62 -3.543 -1.030 -10.787 1.00 0.00 O ATOM 965 CB THR B 62 -0.638 -0.242 -11.154 1.00 0.00 C ATOM 966 OG1 THR B 62 0.754 -0.580 -11.199 1.00 0.00 O ATOM 967 CG2 THR B 62 -0.790 1.272 -11.101 1.00 0.00 C ATOM 0 H THR B 62 -1.201 -2.790 -10.854 1.00 0.00 H new ATOM 0 HA THR B 62 -0.836 -0.525 -9.026 1.00 0.00 H new ATOM 0 HB THR B 62 -1.136 -0.609 -12.051 1.00 0.00 H new ATOM 0 HG1 THR B 62 1.169 -0.154 -11.978 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.313 1.716 -11.975 1.00 0.00 H new ATOM 0 HG22 THR B 62 -1.849 1.531 -11.094 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.317 1.654 -10.196 1.00 0.00 H new ATOM 975 N ILE B 63 -3.202 0.216 -8.949 1.00 0.00 N ATOM 976 CA ILE B 63 -4.584 0.650 -8.847 1.00 0.00 C ATOM 977 C ILE B 63 -4.672 2.151 -9.101 1.00 0.00 C ATOM 978 O ILE B 63 -3.920 2.924 -8.509 1.00 0.00 O ATOM 979 CB ILE B 63 -5.187 0.344 -7.452 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.138 -1.154 -7.133 1.00 0.00 C ATOM 981 CG2 ILE B 63 -6.621 0.842 -7.371 1.00 0.00 C ATOM 982 CD1 ILE B 63 -3.811 -1.629 -6.579 1.00 0.00 C ATOM 0 H ILE B 63 -2.595 0.571 -8.210 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.154 0.099 -9.595 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.582 0.868 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.923 -1.386 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.361 -1.715 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.029 0.619 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.642 1.919 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.222 0.346 -8.133 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.862 -2.700 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.022 -1.431 -7.305 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.593 -1.098 -5.652 1.00 0.00 H new ATOM 994 N PRO B 64 -5.570 2.577 -10.008 1.00 0.00 N ATOM 995 CA PRO B 64 -5.834 3.998 -10.251 1.00 0.00 C ATOM 996 C PRO B 64 -6.101 4.752 -8.951 1.00 0.00 C ATOM 997 O PRO B 64 -6.824 4.266 -8.080 1.00 0.00 O ATOM 998 CB PRO B 64 -7.086 3.979 -11.127 1.00 0.00 C ATOM 999 CG PRO B 64 -7.039 2.668 -11.830 1.00 0.00 C ATOM 1000 CD PRO B 64 -6.378 1.706 -10.880 1.00 0.00 C ATOM 0 HA PRO B 64 -4.987 4.506 -10.713 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -7.991 4.073 -10.526 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.086 4.808 -11.835 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.042 2.330 -12.091 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.476 2.745 -12.760 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.113 1.138 -10.309 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -5.758 0.983 -11.409 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.531 5.947 -8.845 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.568 6.706 -7.605 1.00 0.00 C ATOM 1010 C GLY B 65 -6.965 7.071 -7.139 1.00 0.00 C ATOM 1011 O GLY B 65 -7.151 7.453 -5.985 1.00 0.00 O ATOM 0 H GLY B 65 -5.037 6.411 -9.607 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.076 6.127 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -4.990 7.621 -7.735 1.00 0.00 H new ATOM 1015 N HIS B 66 -7.950 6.969 -8.020 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.327 7.262 -7.635 1.00 0.00 C ATOM 1017 C HIS B 66 -9.996 6.051 -6.988 1.00 0.00 C ATOM 1018 O HIS B 66 -11.135 6.135 -6.532 1.00 0.00 O ATOM 1019 CB HIS B 66 -10.156 7.774 -8.825 1.00 0.00 C ATOM 1020 CG HIS B 66 -10.127 6.905 -10.047 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -9.512 7.288 -11.217 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -10.666 5.689 -10.292 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -9.674 6.349 -12.127 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -10.370 5.366 -11.592 1.00 0.00 N ATOM 0 H HIS B 66 -7.827 6.690 -8.993 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.286 8.060 -6.894 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -11.191 7.886 -8.504 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -9.797 8.767 -9.097 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -11.226 5.084 -9.594 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -9.300 6.380 -13.140 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -10.644 4.506 -12.067 1.00 0.00 H new ATOM 1033 N LEU B 67 -9.287 4.930 -6.940 1.00 0.00 N ATOM 1034 CA LEU B 67 -9.788 3.743 -6.259 1.00 0.00 C ATOM 1035 C LEU B 67 -9.098 3.594 -4.914 1.00 0.00 C ATOM 1036 O LEU B 67 -7.905 3.873 -4.782 1.00 0.00 O ATOM 1037 CB LEU B 67 -9.558 2.475 -7.088 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.159 2.470 -8.492 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -9.940 1.123 -9.158 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.642 2.806 -8.447 1.00 0.00 C ATOM 0 H LEU B 67 -8.366 4.818 -7.363 1.00 0.00 H new ATOM 0 HA LEU B 67 -10.862 3.869 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.484 2.312 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -9.966 1.627 -6.538 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.654 3.236 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.374 1.136 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -8.871 0.922 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.417 0.342 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -12.048 2.796 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.164 2.067 -7.839 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -11.778 3.796 -8.011 1.00 0.00 H new ATOM 1052 N ASN B 68 -9.846 3.158 -3.920 1.00 0.00 N ATOM 1053 CA ASN B 68 -9.304 2.996 -2.581 1.00 0.00 C ATOM 1054 C ASN B 68 -9.579 1.599 -2.050 1.00 0.00 C ATOM 1055 O ASN B 68 -9.684 1.386 -0.842 1.00 0.00 O ATOM 1056 CB ASN B 68 -9.871 4.062 -1.640 1.00 0.00 C ATOM 1057 CG ASN B 68 -9.282 5.432 -1.913 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -9.782 6.186 -2.750 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -8.222 5.774 -1.195 1.00 0.00 N ATOM 0 H ASN B 68 -10.831 2.909 -4.012 1.00 0.00 H new ATOM 0 HA ASN B 68 -8.223 3.126 -2.631 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -10.954 4.104 -1.751 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -9.667 3.779 -0.607 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -7.791 6.689 -1.326 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -7.837 5.122 -0.512 1.00 0.00 H new ATOM 1066 N SER B 69 -9.683 0.647 -2.967 1.00 0.00 N ATOM 1067 CA SER B 69 -9.891 -0.747 -2.611 1.00 0.00 C ATOM 1068 C SER B 69 -9.517 -1.649 -3.780 1.00 0.00 C ATOM 1069 O SER B 69 -9.786 -1.317 -4.937 1.00 0.00 O ATOM 1070 CB SER B 69 -11.350 -0.981 -2.208 1.00 0.00 C ATOM 1071 OG SER B 69 -12.236 -0.550 -3.227 1.00 0.00 O ATOM 0 H SER B 69 -9.626 0.819 -3.971 1.00 0.00 H new ATOM 0 HA SER B 69 -9.252 -0.989 -1.762 1.00 0.00 H new ATOM 0 HB2 SER B 69 -11.510 -2.040 -2.007 1.00 0.00 H new ATOM 0 HB3 SER B 69 -11.566 -0.445 -1.284 1.00 0.00 H new ATOM 0 HG SER B 69 -13.161 -0.712 -2.946 1.00 0.00 H new ATOM 1077 N TYR B 70 -8.883 -2.773 -3.482 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.521 -3.742 -4.507 1.00 0.00 C ATOM 1079 C TYR B 70 -8.805 -5.157 -4.023 1.00 0.00 C ATOM 1080 O TYR B 70 -8.522 -5.501 -2.876 1.00 0.00 O ATOM 1081 CB TYR B 70 -7.043 -3.601 -4.890 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.591 -4.585 -5.953 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -5.639 -5.556 -5.668 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -7.123 -4.546 -7.236 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -5.232 -6.461 -6.630 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -6.719 -5.447 -8.204 1.00 0.00 C ATOM 1087 CZ TYR B 70 -5.774 -6.402 -7.897 1.00 0.00 C ATOM 1088 OH TYR B 70 -5.374 -7.306 -8.859 1.00 0.00 O ATOM 0 H TYR B 70 -8.608 -3.038 -2.536 1.00 0.00 H new ATOM 0 HA TYR B 70 -9.127 -3.545 -5.391 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -6.865 -2.587 -5.247 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.431 -3.737 -3.998 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -5.210 -5.604 -4.678 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -7.864 -3.800 -7.481 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -4.493 -7.211 -6.391 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -7.142 -5.403 -9.197 1.00 0.00 H new ATOM 0 HH TYR B 70 -5.853 -7.127 -9.695 1.00 0.00 H new ATOM 1098 N THR B 71 -9.379 -5.966 -4.896 1.00 0.00 N ATOM 1099 CA THR B 71 -9.644 -7.357 -4.580 1.00 0.00 C ATOM 1100 C THR B 71 -8.449 -8.226 -4.970 1.00 0.00 C ATOM 1101 O THR B 71 -8.259 -8.546 -6.144 1.00 0.00 O ATOM 1102 CB THR B 71 -10.908 -7.859 -5.309 1.00 0.00 C ATOM 1103 OG1 THR B 71 -11.998 -6.953 -5.076 1.00 0.00 O ATOM 1104 CG2 THR B 71 -11.296 -9.253 -4.834 1.00 0.00 C ATOM 0 H THR B 71 -9.671 -5.682 -5.831 1.00 0.00 H new ATOM 0 HA THR B 71 -9.809 -7.431 -3.505 1.00 0.00 H new ATOM 0 HB THR B 71 -10.689 -7.905 -6.376 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.797 -7.276 -5.543 1.00 0.00 H new ATOM 0 HG21 THR B 71 -12.190 -9.582 -5.364 1.00 0.00 H new ATOM 0 HG22 THR B 71 -10.479 -9.946 -5.035 1.00 0.00 H new ATOM 0 HG23 THR B 71 -11.497 -9.230 -3.763 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.633 -8.587 -3.986 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.479 -9.442 -4.231 1.00 0.00 C ATOM 1114 C ILE B 72 -6.919 -10.898 -4.294 1.00 0.00 C ATOM 1115 O ILE B 72 -7.437 -11.440 -3.317 1.00 0.00 O ATOM 1116 CB ILE B 72 -5.400 -9.295 -3.135 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -4.967 -7.833 -2.983 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -4.200 -10.174 -3.458 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -3.919 -7.621 -1.909 1.00 0.00 C ATOM 0 H ILE B 72 -7.749 -8.301 -3.014 1.00 0.00 H new ATOM 0 HA ILE B 72 -6.044 -9.130 -5.181 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.829 -9.619 -2.187 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.576 -7.477 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.842 -7.226 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -3.446 -10.062 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -4.516 -11.216 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.777 -9.875 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.660 -6.563 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -4.314 -7.946 -0.946 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -3.028 -8.201 -2.150 1.00 0.00 H new ATOM 1131 N LYS B 73 -6.728 -11.519 -5.447 1.00 0.00 N ATOM 1132 CA LYS B 73 -7.112 -12.908 -5.637 1.00 0.00 C ATOM 1133 C LYS B 73 -5.877 -13.793 -5.742 1.00 0.00 C ATOM 1134 O LYS B 73 -4.947 -13.489 -6.494 1.00 0.00 O ATOM 1135 CB LYS B 73 -7.970 -13.051 -6.899 1.00 0.00 C ATOM 1136 CG LYS B 73 -9.242 -12.217 -6.864 1.00 0.00 C ATOM 1137 CD LYS B 73 -10.066 -12.392 -8.130 1.00 0.00 C ATOM 1138 CE LYS B 73 -11.343 -11.569 -8.076 1.00 0.00 C ATOM 1139 NZ LYS B 73 -12.184 -11.765 -9.286 1.00 0.00 N ATOM 0 H LYS B 73 -6.308 -11.081 -6.267 1.00 0.00 H new ATOM 0 HA LYS B 73 -7.696 -13.227 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -7.378 -12.760 -7.767 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -8.236 -14.100 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -9.840 -12.502 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -8.984 -11.165 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -9.475 -12.093 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -10.315 -13.445 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -11.914 -11.844 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -11.090 -10.513 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -13.044 -11.186 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -11.649 -11.479 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -12.448 -12.768 -9.367 1.00 0.00 H new ATOM 1153 N GLY B 74 -5.866 -14.881 -4.986 1.00 0.00 N ATOM 1154 CA GLY B 74 -4.749 -15.803 -5.030 1.00 0.00 C ATOM 1155 C GLY B 74 -3.894 -15.751 -3.782 1.00 0.00 C ATOM 1156 O GLY B 74 -2.694 -16.026 -3.832 1.00 0.00 O ATOM 0 H GLY B 74 -6.612 -15.143 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -5.126 -16.817 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -4.130 -15.576 -5.898 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.506 -15.397 -2.663 1.00 0.00 N ATOM 1161 CA LEU B 75 -3.817 -15.417 -1.381 1.00 0.00 C ATOM 1162 C LEU B 75 -3.944 -16.797 -0.754 1.00 0.00 C ATOM 1163 O LEU B 75 -4.630 -17.665 -1.291 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.385 -14.360 -0.429 1.00 0.00 C ATOM 1165 CG LEU B 75 -4.113 -12.903 -0.813 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -4.623 -11.973 0.270 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.628 -12.675 -1.053 1.00 0.00 C ATOM 0 H LEU B 75 -5.478 -15.092 -2.616 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.766 -15.186 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.463 -14.503 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.976 -14.536 0.566 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.644 -12.687 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.424 -10.940 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.696 -12.115 0.395 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.116 -12.195 1.209 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.459 -11.633 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.073 -12.908 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.287 -13.321 -1.862 1.00 0.00 H new ATOM 1179 N LYS B 76 -3.269 -17.007 0.363 1.00 0.00 N ATOM 1180 CA LYS B 76 -3.350 -18.271 1.070 1.00 0.00 C ATOM 1181 C LYS B 76 -3.699 -18.036 2.535 1.00 0.00 C ATOM 1182 O LYS B 76 -2.993 -17.313 3.239 1.00 0.00 O ATOM 1183 CB LYS B 76 -2.027 -19.029 0.963 1.00 0.00 C ATOM 1184 CG LYS B 76 -1.613 -19.340 -0.465 1.00 0.00 C ATOM 1185 CD LYS B 76 -0.329 -20.151 -0.502 1.00 0.00 C ATOM 1186 CE LYS B 76 0.082 -20.489 -1.925 1.00 0.00 C ATOM 1187 NZ LYS B 76 -0.945 -21.300 -2.632 1.00 0.00 N ATOM 0 H LYS B 76 -2.658 -16.317 0.799 1.00 0.00 H new ATOM 0 HA LYS B 76 -4.136 -18.872 0.612 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -1.242 -18.441 1.439 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -2.108 -19.963 1.520 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -2.409 -19.892 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -1.475 -18.410 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS B 76 0.470 -19.590 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS B 76 -0.464 -21.071 0.066 1.00 0.00 H new ATOM 0 HE2 LYS B 76 0.258 -19.567 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS B 76 1.025 -21.035 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 -0.533 -21.704 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 -1.268 -22.069 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 -1.753 -20.695 -2.883 1.00 0.00 H new ATOM 1201 N PRO B 77 -4.799 -18.636 3.009 1.00 0.00 N ATOM 1202 CA PRO B 77 -5.232 -18.496 4.399 1.00 0.00 C ATOM 1203 C PRO B 77 -4.243 -19.132 5.370 1.00 0.00 C ATOM 1204 O PRO B 77 -3.894 -20.309 5.245 1.00 0.00 O ATOM 1205 CB PRO B 77 -6.579 -19.221 4.440 1.00 0.00 C ATOM 1206 CG PRO B 77 -6.553 -20.153 3.278 1.00 0.00 C ATOM 1207 CD PRO B 77 -5.706 -19.492 2.229 1.00 0.00 C ATOM 0 HA PRO B 77 -5.300 -17.451 4.703 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -6.707 -19.763 5.377 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -7.408 -18.517 4.363 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -6.136 -21.119 3.563 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -7.560 -20.338 2.905 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -5.157 -20.224 1.637 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -6.310 -18.909 1.534 1.00 0.00 H new ATOM 1215 N GLY B 78 -3.785 -18.344 6.329 1.00 0.00 N ATOM 1216 CA GLY B 78 -2.829 -18.832 7.300 1.00 0.00 C ATOM 1217 C GLY B 78 -1.399 -18.574 6.880 1.00 0.00 C ATOM 1218 O GLY B 78 -0.459 -18.959 7.578 1.00 0.00 O ATOM 0 H GLY B 78 -4.060 -17.370 6.453 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -3.015 -18.353 8.261 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -2.975 -19.903 7.444 1.00 0.00 H new ATOM 1222 N VAL B 79 -1.231 -17.941 5.731 1.00 0.00 N ATOM 1223 CA VAL B 79 0.089 -17.587 5.243 1.00 0.00 C ATOM 1224 C VAL B 79 0.288 -16.081 5.332 1.00 0.00 C ATOM 1225 O VAL B 79 -0.439 -15.312 4.704 1.00 0.00 O ATOM 1226 CB VAL B 79 0.303 -18.050 3.785 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.669 -17.629 3.271 1.00 0.00 C ATOM 1228 CG2 VAL B 79 0.153 -19.555 3.670 1.00 0.00 C ATOM 0 H VAL B 79 -1.996 -17.661 5.117 1.00 0.00 H new ATOM 0 HA VAL B 79 0.820 -18.096 5.870 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.461 -17.570 3.173 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.791 -17.969 2.243 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.752 -16.543 3.307 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.445 -18.073 3.894 1.00 0.00 H new ATOM 0 HG21 VAL B 79 0.308 -19.858 2.634 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.891 -20.044 4.305 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -0.848 -19.846 3.987 1.00 0.00 H new ATOM 1238 N VAL B 80 1.258 -15.671 6.131 1.00 0.00 N ATOM 1239 CA VAL B 80 1.568 -14.260 6.293 1.00 0.00 C ATOM 1240 C VAL B 80 2.280 -13.736 5.052 1.00 0.00 C ATOM 1241 O VAL B 80 3.130 -14.422 4.484 1.00 0.00 O ATOM 1242 CB VAL B 80 2.472 -14.015 7.523 1.00 0.00 C ATOM 1243 CG1 VAL B 80 2.685 -12.526 7.750 1.00 0.00 C ATOM 1244 CG2 VAL B 80 1.890 -14.668 8.769 1.00 0.00 C ATOM 0 H VAL B 80 1.847 -16.298 6.680 1.00 0.00 H new ATOM 0 HA VAL B 80 0.625 -13.734 6.440 1.00 0.00 H new ATOM 0 HB VAL B 80 3.440 -14.473 7.322 1.00 0.00 H new ATOM 0 HG11 VAL B 80 3.324 -12.378 8.621 1.00 0.00 H new ATOM 0 HG12 VAL B 80 3.161 -12.089 6.872 1.00 0.00 H new ATOM 0 HG13 VAL B 80 1.723 -12.043 7.920 1.00 0.00 H new ATOM 0 HG21 VAL B 80 2.546 -14.480 9.619 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.904 -14.250 8.972 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.802 -15.743 8.609 1.00 0.00 H new ATOM 1254 N TYR B 81 1.924 -12.541 4.614 1.00 0.00 N ATOM 1255 CA TYR B 81 2.636 -11.912 3.517 1.00 0.00 C ATOM 1256 C TYR B 81 3.021 -10.484 3.874 1.00 0.00 C ATOM 1257 O TYR B 81 2.479 -9.900 4.814 1.00 0.00 O ATOM 1258 CB TYR B 81 1.815 -11.946 2.217 1.00 0.00 C ATOM 1259 CG TYR B 81 0.565 -11.090 2.201 1.00 0.00 C ATOM 1260 CD1 TYR B 81 -0.688 -11.662 2.363 1.00 0.00 C ATOM 1261 CD2 TYR B 81 0.635 -9.718 1.991 1.00 0.00 C ATOM 1262 CE1 TYR B 81 -1.832 -10.891 2.319 1.00 0.00 C ATOM 1263 CE2 TYR B 81 -0.505 -8.940 1.953 1.00 0.00 C ATOM 1264 CZ TYR B 81 -1.736 -9.533 2.115 1.00 0.00 C ATOM 1265 OH TYR B 81 -2.877 -8.765 2.069 1.00 0.00 O ATOM 0 H TYR B 81 1.154 -11.992 4.997 1.00 0.00 H new ATOM 0 HA TYR B 81 3.548 -12.483 3.345 1.00 0.00 H new ATOM 0 HB2 TYR B 81 2.458 -11.631 1.396 1.00 0.00 H new ATOM 0 HB3 TYR B 81 1.527 -12.979 2.019 1.00 0.00 H new ATOM 0 HD1 TYR B 81 -0.770 -12.726 2.526 1.00 0.00 H new ATOM 0 HD2 TYR B 81 1.599 -9.251 1.855 1.00 0.00 H new ATOM 0 HE1 TYR B 81 -2.800 -11.352 2.444 1.00 0.00 H new ATOM 0 HE2 TYR B 81 -0.431 -7.874 1.797 1.00 0.00 H new ATOM 0 HH TYR B 81 -3.567 -9.170 2.635 1.00 0.00 H new ATOM 1275 N GLU B 82 3.960 -9.937 3.121 1.00 0.00 N ATOM 1276 CA GLU B 82 4.374 -8.553 3.284 1.00 0.00 C ATOM 1277 C GLU B 82 3.728 -7.707 2.198 1.00 0.00 C ATOM 1278 O GLU B 82 4.052 -7.849 1.021 1.00 0.00 O ATOM 1279 CB GLU B 82 5.896 -8.429 3.172 1.00 0.00 C ATOM 1280 CG GLU B 82 6.666 -9.227 4.210 1.00 0.00 C ATOM 1281 CD GLU B 82 8.160 -9.205 3.961 1.00 0.00 C ATOM 1282 OE1 GLU B 82 8.676 -10.152 3.331 1.00 0.00 O ATOM 1283 OE2 GLU B 82 8.830 -8.239 4.388 1.00 0.00 O ATOM 0 H GLU B 82 4.455 -10.437 2.382 1.00 0.00 H new ATOM 0 HA GLU B 82 4.062 -8.208 4.270 1.00 0.00 H new ATOM 0 HB2 GLU B 82 6.203 -8.755 2.178 1.00 0.00 H new ATOM 0 HB3 GLU B 82 6.171 -7.378 3.261 1.00 0.00 H new ATOM 0 HG2 GLU B 82 6.459 -8.824 5.201 1.00 0.00 H new ATOM 0 HG3 GLU B 82 6.314 -10.259 4.206 1.00 0.00 H new ATOM 1290 N GLY B 83 2.801 -6.850 2.592 1.00 0.00 N ATOM 1291 CA GLY B 83 2.105 -6.027 1.630 1.00 0.00 C ATOM 1292 C GLY B 83 2.514 -4.577 1.717 1.00 0.00 C ATOM 1293 O GLY B 83 2.583 -4.006 2.803 1.00 0.00 O ATOM 0 H GLY B 83 2.518 -6.710 3.562 1.00 0.00 H new ATOM 0 HA2 GLY B 83 2.304 -6.399 0.625 1.00 0.00 H new ATOM 0 HA3 GLY B 83 1.031 -6.110 1.794 1.00 0.00 H new ATOM 1297 N GLN B 84 2.803 -3.986 0.574 1.00 0.00 N ATOM 1298 CA GLN B 84 3.207 -2.597 0.507 1.00 0.00 C ATOM 1299 C GLN B 84 2.259 -1.809 -0.382 1.00 0.00 C ATOM 1300 O GLN B 84 2.075 -2.144 -1.552 1.00 0.00 O ATOM 1301 CB GLN B 84 4.631 -2.485 -0.033 1.00 0.00 C ATOM 1302 CG GLN B 84 5.660 -3.220 0.805 1.00 0.00 C ATOM 1303 CD GLN B 84 7.068 -2.992 0.310 1.00 0.00 C ATOM 1304 OE1 GLN B 84 7.733 -2.041 0.715 1.00 0.00 O ATOM 1305 NE2 GLN B 84 7.535 -3.861 -0.567 1.00 0.00 N ATOM 0 H GLN B 84 2.764 -4.454 -0.331 1.00 0.00 H new ATOM 0 HA GLN B 84 3.173 -2.182 1.514 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.656 -2.877 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.907 -1.432 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN B 84 5.584 -2.891 1.841 1.00 0.00 H new ATOM 0 HG3 GLN B 84 5.441 -4.288 0.792 1.00 0.00 H new ATOM 0 HE21 GLN B 84 6.950 -4.637 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN B 84 8.481 -3.757 -0.934 1.00 0.00 H new ATOM 1314 N LEU B 85 1.651 -0.781 0.182 1.00 0.00 N ATOM 1315 CA LEU B 85 0.779 0.101 -0.570 1.00 0.00 C ATOM 1316 C LEU B 85 1.497 1.427 -0.808 1.00 0.00 C ATOM 1317 O LEU B 85 1.610 2.256 0.096 1.00 0.00 O ATOM 1318 CB LEU B 85 -0.540 0.295 0.203 1.00 0.00 C ATOM 1319 CG LEU B 85 -1.687 1.005 -0.538 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.505 2.511 -0.520 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -1.795 0.507 -1.972 1.00 0.00 C ATOM 0 H LEU B 85 1.747 -0.536 1.167 1.00 0.00 H new ATOM 0 HA LEU B 85 0.537 -0.333 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -0.896 -0.686 0.517 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.321 0.860 1.109 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.613 0.767 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.331 2.984 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.488 2.863 0.511 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.565 2.770 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.612 1.023 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -0.861 0.706 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -1.989 -0.566 -1.971 1.00 0.00 H new ATOM 1333 N ILE B 86 2.011 1.609 -2.017 1.00 0.00 N ATOM 1334 CA ILE B 86 2.748 2.819 -2.355 1.00 0.00 C ATOM 1335 C ILE B 86 1.812 3.821 -3.010 1.00 0.00 C ATOM 1336 O ILE B 86 1.250 3.554 -4.071 1.00 0.00 O ATOM 1337 CB ILE B 86 3.942 2.562 -3.316 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.791 1.365 -2.865 1.00 0.00 C ATOM 1339 CG2 ILE B 86 4.821 3.807 -3.406 1.00 0.00 C ATOM 1340 CD1 ILE B 86 4.273 0.018 -3.325 1.00 0.00 C ATOM 0 H ILE B 86 1.931 0.935 -2.779 1.00 0.00 H new ATOM 0 HA ILE B 86 3.153 3.204 -1.419 1.00 0.00 H new ATOM 0 HB ILE B 86 3.527 2.331 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE B 86 5.807 1.496 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE B 86 4.848 1.366 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.655 3.616 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.231 4.642 -3.784 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.206 4.053 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE B 86 4.933 -0.769 -2.961 1.00 0.00 H new ATOM 0 HD12 ILE B 86 3.269 -0.140 -2.931 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.243 -0.008 -4.414 1.00 0.00 H new ATOM 1352 N SER B 87 1.629 4.960 -2.373 1.00 0.00 N ATOM 1353 CA SER B 87 0.755 5.986 -2.909 1.00 0.00 C ATOM 1354 C SER B 87 1.565 7.044 -3.648 1.00 0.00 C ATOM 1355 O SER B 87 2.442 7.688 -3.066 1.00 0.00 O ATOM 1356 CB SER B 87 -0.041 6.622 -1.780 1.00 0.00 C ATOM 1357 OG SER B 87 -0.662 5.628 -0.989 1.00 0.00 O ATOM 0 H SER B 87 2.072 5.199 -1.486 1.00 0.00 H new ATOM 0 HA SER B 87 0.065 5.528 -3.617 1.00 0.00 H new ATOM 0 HB2 SER B 87 0.618 7.229 -1.160 1.00 0.00 H new ATOM 0 HB3 SER B 87 -0.796 7.291 -2.192 1.00 0.00 H new ATOM 0 HG SER B 87 -1.585 5.498 -1.292 1.00 0.00 H new ATOM 1363 N ILE B 88 1.282 7.205 -4.931 1.00 0.00 N ATOM 1364 CA ILE B 88 1.988 8.176 -5.749 1.00 0.00 C ATOM 1365 C ILE B 88 1.167 9.450 -5.898 1.00 0.00 C ATOM 1366 O ILE B 88 0.173 9.475 -6.623 1.00 0.00 O ATOM 1367 CB ILE B 88 2.291 7.617 -7.154 1.00 0.00 C ATOM 1368 CG1 ILE B 88 2.912 6.218 -7.065 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.213 8.562 -7.909 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.229 6.166 -6.320 1.00 0.00 C ATOM 0 H ILE B 88 0.567 6.674 -5.428 1.00 0.00 H new ATOM 0 HA ILE B 88 2.928 8.396 -5.243 1.00 0.00 H new ATOM 0 HB ILE B 88 1.351 7.535 -7.699 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.204 5.550 -6.575 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.064 5.836 -8.075 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.419 8.156 -8.899 1.00 0.00 H new ATOM 0 HG22 ILE B 88 2.733 9.536 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.148 8.673 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.598 5.140 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE B 88 4.956 6.805 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.083 6.515 -5.298 1.00 0.00 H new ATOM 1382 N GLN B 89 1.574 10.500 -5.203 1.00 0.00 N ATOM 1383 CA GLN B 89 0.914 11.793 -5.323 1.00 0.00 C ATOM 1384 C GLN B 89 1.322 12.482 -6.618 1.00 0.00 C ATOM 1385 O GLN B 89 2.371 12.179 -7.189 1.00 0.00 O ATOM 1386 CB GLN B 89 1.270 12.692 -4.140 1.00 0.00 C ATOM 1387 CG GLN B 89 0.630 12.284 -2.826 1.00 0.00 C ATOM 1388 CD GLN B 89 0.991 13.240 -1.708 1.00 0.00 C ATOM 1389 OE1 GLN B 89 1.270 14.411 -1.955 1.00 0.00 O ATOM 1390 NE2 GLN B 89 0.978 12.756 -0.476 1.00 0.00 N ATOM 0 H GLN B 89 2.357 10.484 -4.550 1.00 0.00 H new ATOM 0 HA GLN B 89 -0.162 11.620 -5.330 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.353 12.697 -4.016 1.00 0.00 H new ATOM 0 HB3 GLN B 89 0.971 13.714 -4.373 1.00 0.00 H new ATOM 0 HG2 GLN B 89 -0.453 12.253 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN B 89 0.951 11.277 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN B 89 0.741 11.777 -0.315 1.00 0.00 H new ATOM 0 HE22 GLN B 89 1.205 13.362 0.312 1.00 0.00 H new ATOM 1399 N GLN B 90 0.491 13.424 -7.061 1.00 0.00 N ATOM 1400 CA GLN B 90 0.758 14.181 -8.281 1.00 0.00 C ATOM 1401 C GLN B 90 1.953 15.114 -8.088 1.00 0.00 C ATOM 1402 O GLN B 90 2.460 15.698 -9.044 1.00 0.00 O ATOM 1403 CB GLN B 90 -0.477 14.991 -8.695 1.00 0.00 C ATOM 1404 CG GLN B 90 -0.759 16.190 -7.800 1.00 0.00 C ATOM 1405 CD GLN B 90 -1.899 17.047 -8.315 1.00 0.00 C ATOM 1406 OE1 GLN B 90 -2.165 17.094 -9.517 1.00 0.00 O ATOM 1407 NE2 GLN B 90 -2.568 17.747 -7.413 1.00 0.00 N ATOM 0 H GLN B 90 -0.376 13.681 -6.590 1.00 0.00 H new ATOM 0 HA GLN B 90 0.994 13.471 -9.073 1.00 0.00 H new ATOM 0 HB2 GLN B 90 -0.344 15.338 -9.720 1.00 0.00 H new ATOM 0 HB3 GLN B 90 -1.347 14.335 -8.691 1.00 0.00 H new ATOM 0 HG2 GLN B 90 -0.997 15.841 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN B 90 0.141 16.799 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN B 90 -2.317 17.680 -6.427 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -3.335 18.353 -7.704 1.00 0.00 H new ATOM 1416 N TYR B 91 2.385 15.251 -6.838 1.00 0.00 N ATOM 1417 CA TYR B 91 3.544 16.067 -6.500 1.00 0.00 C ATOM 1418 C TYR B 91 4.827 15.255 -6.637 1.00 0.00 C ATOM 1419 O TYR B 91 5.927 15.777 -6.463 1.00 0.00 O ATOM 1420 CB TYR B 91 3.432 16.589 -5.063 1.00 0.00 C ATOM 1421 CG TYR B 91 2.289 17.553 -4.835 1.00 0.00 C ATOM 1422 CD1 TYR B 91 0.982 17.101 -4.713 1.00 0.00 C ATOM 1423 CD2 TYR B 91 2.522 18.918 -4.728 1.00 0.00 C ATOM 1424 CE1 TYR B 91 -0.061 17.980 -4.495 1.00 0.00 C ATOM 1425 CE2 TYR B 91 1.486 19.804 -4.510 1.00 0.00 C ATOM 1426 CZ TYR B 91 0.197 19.331 -4.395 1.00 0.00 C ATOM 1427 OH TYR B 91 -0.839 20.211 -4.178 1.00 0.00 O ATOM 0 H TYR B 91 1.944 14.802 -6.036 1.00 0.00 H new ATOM 0 HA TYR B 91 3.574 16.910 -7.190 1.00 0.00 H new ATOM 0 HB2 TYR B 91 3.315 15.740 -4.389 1.00 0.00 H new ATOM 0 HB3 TYR B 91 4.366 17.082 -4.795 1.00 0.00 H new ATOM 0 HD1 TYR B 91 0.777 16.043 -4.790 1.00 0.00 H new ATOM 0 HD2 TYR B 91 3.531 19.293 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR B 91 -1.072 17.612 -4.403 1.00 0.00 H new ATOM 0 HE2 TYR B 91 1.685 20.863 -4.430 1.00 0.00 H new ATOM 0 HH TYR B 91 -1.397 19.884 -3.442 1.00 0.00 H new ATOM 1437 N GLY B 92 4.678 13.971 -6.932 1.00 0.00 N ATOM 1438 CA GLY B 92 5.823 13.085 -6.996 1.00 0.00 C ATOM 1439 C GLY B 92 6.138 12.480 -5.643 1.00 0.00 C ATOM 1440 O GLY B 92 7.053 11.671 -5.510 1.00 0.00 O ATOM 0 H GLY B 92 3.782 13.526 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY B 92 5.628 12.289 -7.714 1.00 0.00 H new ATOM 0 HA3 GLY B 92 6.690 13.636 -7.359 1.00 0.00 H new ATOM 1444 N HIS B 93 5.369 12.882 -4.640 1.00 0.00 N ATOM 1445 CA HIS B 93 5.544 12.391 -3.279 1.00 0.00 C ATOM 1446 C HIS B 93 5.138 10.922 -3.198 1.00 0.00 C ATOM 1447 O HIS B 93 3.995 10.573 -3.491 1.00 0.00 O ATOM 1448 CB HIS B 93 4.695 13.232 -2.315 1.00 0.00 C ATOM 1449 CG HIS B 93 4.947 12.967 -0.859 1.00 0.00 C ATOM 1450 ND1 HIS B 93 5.676 13.818 -0.057 1.00 0.00 N ATOM 1451 CD2 HIS B 93 4.538 11.958 -0.053 1.00 0.00 C ATOM 1452 CE1 HIS B 93 5.707 13.345 1.173 1.00 0.00 C ATOM 1453 NE2 HIS B 93 5.024 12.219 1.201 1.00 0.00 N ATOM 0 H HIS B 93 4.609 13.555 -4.746 1.00 0.00 H new ATOM 0 HA HIS B 93 6.593 12.478 -2.996 1.00 0.00 H new ATOM 0 HB2 HIS B 93 4.881 14.287 -2.515 1.00 0.00 H new ATOM 0 HB3 HIS B 93 3.642 13.048 -2.526 1.00 0.00 H new ATOM 0 HD2 HIS B 93 3.940 11.107 -0.344 1.00 0.00 H new ATOM 0 HE1 HIS B 93 6.207 13.802 2.014 1.00 0.00 H new ATOM 0 HE2 HIS B 93 4.880 11.635 2.025 1.00 0.00 H new ATOM 1462 N GLN B 94 6.076 10.069 -2.808 1.00 0.00 N ATOM 1463 CA GLN B 94 5.813 8.640 -2.703 1.00 0.00 C ATOM 1464 C GLN B 94 5.980 8.172 -1.268 1.00 0.00 C ATOM 1465 O GLN B 94 7.020 8.405 -0.647 1.00 0.00 O ATOM 1466 CB GLN B 94 6.761 7.847 -3.604 1.00 0.00 C ATOM 1467 CG GLN B 94 6.728 8.272 -5.059 1.00 0.00 C ATOM 1468 CD GLN B 94 7.719 7.509 -5.914 1.00 0.00 C ATOM 1469 OE1 GLN B 94 8.761 7.063 -5.431 1.00 0.00 O ATOM 1470 NE2 GLN B 94 7.409 7.364 -7.192 1.00 0.00 N ATOM 0 H GLN B 94 7.027 10.342 -2.559 1.00 0.00 H new ATOM 0 HA GLN B 94 4.786 8.466 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN B 94 7.778 7.954 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.507 6.789 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN B 94 5.723 8.123 -5.454 1.00 0.00 H new ATOM 0 HG3 GLN B 94 6.942 9.339 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN B 94 6.536 7.749 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN B 94 8.043 6.867 -7.817 1.00 0.00 H new ATOM 1479 N GLU B 95 4.957 7.525 -0.739 1.00 0.00 N ATOM 1480 CA GLU B 95 5.040 6.925 0.582 1.00 0.00 C ATOM 1481 C GLU B 95 4.453 5.528 0.567 1.00 0.00 C ATOM 1482 O GLU B 95 3.439 5.271 -0.089 1.00 0.00 O ATOM 1483 CB GLU B 95 4.364 7.801 1.637 1.00 0.00 C ATOM 1484 CG GLU B 95 5.358 8.691 2.368 1.00 0.00 C ATOM 1485 CD GLU B 95 4.735 9.507 3.478 1.00 0.00 C ATOM 1486 OE1 GLU B 95 4.529 8.964 4.582 1.00 0.00 O ATOM 1487 OE2 GLU B 95 4.481 10.704 3.261 1.00 0.00 O ATOM 0 H GLU B 95 4.058 7.401 -1.204 1.00 0.00 H new ATOM 0 HA GLU B 95 6.093 6.849 0.854 1.00 0.00 H new ATOM 0 HB2 GLU B 95 3.606 8.422 1.160 1.00 0.00 H new ATOM 0 HB3 GLU B 95 3.849 7.166 2.358 1.00 0.00 H new ATOM 0 HG2 GLU B 95 6.151 8.070 2.785 1.00 0.00 H new ATOM 0 HG3 GLU B 95 5.826 9.365 1.651 1.00 0.00 H new ATOM 1494 N VAL B 96 5.113 4.626 1.275 1.00 0.00 N ATOM 1495 CA VAL B 96 4.753 3.223 1.255 1.00 0.00 C ATOM 1496 C VAL B 96 4.140 2.799 2.580 1.00 0.00 C ATOM 1497 O VAL B 96 4.819 2.765 3.607 1.00 0.00 O ATOM 1498 CB VAL B 96 5.985 2.342 0.965 1.00 0.00 C ATOM 1499 CG1 VAL B 96 5.589 0.880 0.832 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.714 2.829 -0.281 1.00 0.00 C ATOM 0 H VAL B 96 5.908 4.846 1.875 1.00 0.00 H new ATOM 0 HA VAL B 96 4.019 3.088 0.461 1.00 0.00 H new ATOM 0 HB VAL B 96 6.669 2.425 1.810 1.00 0.00 H new ATOM 0 HG11 VAL B 96 6.476 0.280 0.628 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.128 0.542 1.760 1.00 0.00 H new ATOM 0 HG13 VAL B 96 4.879 0.768 0.013 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.580 2.194 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL B 96 6.041 2.785 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL B 96 7.044 3.857 -0.131 1.00 0.00 H new ATOM 1510 N THR B 97 2.858 2.490 2.552 1.00 0.00 N ATOM 1511 CA THR B 97 2.173 1.984 3.724 1.00 0.00 C ATOM 1512 C THR B 97 2.207 0.461 3.721 1.00 0.00 C ATOM 1513 O THR B 97 1.557 -0.183 2.897 1.00 0.00 O ATOM 1514 CB THR B 97 0.713 2.465 3.762 1.00 0.00 C ATOM 1515 OG1 THR B 97 0.664 3.886 3.603 1.00 0.00 O ATOM 1516 CG2 THR B 97 0.052 2.080 5.073 1.00 0.00 C ATOM 0 H THR B 97 2.268 2.581 1.725 1.00 0.00 H new ATOM 0 HA THR B 97 2.684 2.364 4.609 1.00 0.00 H new ATOM 0 HB THR B 97 0.174 1.986 2.945 1.00 0.00 H new ATOM 0 HG1 THR B 97 -0.062 4.252 4.150 1.00 0.00 H new ATOM 0 HG21 THR B 97 -0.980 2.431 5.077 1.00 0.00 H new ATOM 0 HG22 THR B 97 0.067 0.996 5.183 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.594 2.537 5.901 1.00 0.00 H new ATOM 1524 N ARG B 98 2.981 -0.111 4.625 1.00 0.00 N ATOM 1525 CA ARG B 98 3.166 -1.552 4.656 1.00 0.00 C ATOM 1526 C ARG B 98 2.220 -2.199 5.657 1.00 0.00 C ATOM 1527 O ARG B 98 1.990 -1.670 6.745 1.00 0.00 O ATOM 1528 CB ARG B 98 4.616 -1.888 5.001 1.00 0.00 C ATOM 1529 CG ARG B 98 5.621 -1.177 4.110 1.00 0.00 C ATOM 1530 CD ARG B 98 7.048 -1.546 4.467 1.00 0.00 C ATOM 1531 NE ARG B 98 7.389 -1.170 5.836 1.00 0.00 N ATOM 1532 CZ ARG B 98 8.633 -1.136 6.308 1.00 0.00 C ATOM 1533 NH1 ARG B 98 9.654 -1.438 5.514 1.00 0.00 N ATOM 1534 NH2 ARG B 98 8.857 -0.793 7.569 1.00 0.00 N ATOM 0 H ARG B 98 3.491 0.398 5.347 1.00 0.00 H new ATOM 0 HA ARG B 98 2.937 -1.949 3.667 1.00 0.00 H new ATOM 0 HB2 ARG B 98 4.807 -1.620 6.040 1.00 0.00 H new ATOM 0 HB3 ARG B 98 4.763 -2.965 4.917 1.00 0.00 H new ATOM 0 HG2 ARG B 98 5.429 -1.433 3.068 1.00 0.00 H new ATOM 0 HG3 ARG B 98 5.490 -0.099 4.202 1.00 0.00 H new ATOM 0 HD2 ARG B 98 7.186 -2.620 4.342 1.00 0.00 H new ATOM 0 HD3 ARG B 98 7.732 -1.054 3.776 1.00 0.00 H new ATOM 0 HE ARG B 98 6.629 -0.919 6.468 1.00 0.00 H new ATOM 0 HH11 ARG B 98 9.485 -1.696 4.542 1.00 0.00 H new ATOM 0 HH12 ARG B 98 10.607 -1.412 5.876 1.00 0.00 H new ATOM 0 HH21 ARG B 98 8.075 -0.555 8.179 1.00 0.00 H new ATOM 0 HH22 ARG B 98 9.811 -0.768 7.929 1.00 0.00 H new ATOM 1548 N PHE B 99 1.676 -3.341 5.279 1.00 0.00 N ATOM 1549 CA PHE B 99 0.736 -4.065 6.118 1.00 0.00 C ATOM 1550 C PHE B 99 0.943 -5.565 5.950 1.00 0.00 C ATOM 1551 O PHE B 99 1.682 -6.001 5.064 1.00 0.00 O ATOM 1552 CB PHE B 99 -0.707 -3.688 5.752 1.00 0.00 C ATOM 1553 CG PHE B 99 -1.144 -4.159 4.390 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -0.726 -3.503 3.241 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -1.982 -5.257 4.261 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -1.133 -3.935 1.992 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -2.389 -5.693 3.014 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.965 -5.030 1.880 1.00 0.00 C ATOM 0 H PHE B 99 1.872 -3.792 4.385 1.00 0.00 H new ATOM 0 HA PHE B 99 0.912 -3.794 7.159 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -1.380 -4.105 6.501 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -0.810 -2.604 5.799 1.00 0.00 H new ATOM 0 HD1 PHE B 99 -0.075 -2.645 3.323 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -2.320 -5.777 5.145 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -0.800 -3.416 1.105 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -3.038 -6.552 2.927 1.00 0.00 H new ATOM 0 HZ PHE B 99 -2.284 -5.368 0.905 1.00 0.00 H new ATOM 1568 N ASP B 100 0.293 -6.349 6.794 1.00 0.00 N ATOM 1569 CA ASP B 100 0.378 -7.797 6.706 1.00 0.00 C ATOM 1570 C ASP B 100 -0.999 -8.417 6.882 1.00 0.00 C ATOM 1571 O ASP B 100 -1.905 -7.796 7.442 1.00 0.00 O ATOM 1572 CB ASP B 100 1.344 -8.360 7.757 1.00 0.00 C ATOM 1573 CG ASP B 100 0.867 -8.140 9.179 1.00 0.00 C ATOM 1574 OD1 ASP B 100 1.195 -7.086 9.765 1.00 0.00 O ATOM 1575 OD2 ASP B 100 0.176 -9.026 9.727 1.00 0.00 O ATOM 0 H ASP B 100 -0.300 -6.006 7.549 1.00 0.00 H new ATOM 0 HA ASP B 100 0.762 -8.051 5.718 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.476 -9.428 7.585 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.321 -7.893 7.631 1.00 0.00 H new ATOM 1580 N PHE B 101 -1.155 -9.632 6.387 1.00 0.00 N ATOM 1581 CA PHE B 101 -2.406 -10.359 6.514 1.00 0.00 C ATOM 1582 C PHE B 101 -2.124 -11.841 6.697 1.00 0.00 C ATOM 1583 O PHE B 101 -1.149 -12.366 6.160 1.00 0.00 O ATOM 1584 CB PHE B 101 -3.300 -10.136 5.287 1.00 0.00 C ATOM 1585 CG PHE B 101 -4.555 -10.972 5.286 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -4.725 -11.993 4.363 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -5.557 -10.742 6.215 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -5.870 -12.767 4.367 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -6.705 -11.513 6.223 1.00 0.00 C ATOM 1590 CZ PHE B 101 -6.860 -12.527 5.298 1.00 0.00 C ATOM 0 H PHE B 101 -0.424 -10.140 5.889 1.00 0.00 H new ATOM 0 HA PHE B 101 -2.936 -9.983 7.389 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -3.577 -9.083 5.238 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -2.727 -10.358 4.387 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -3.953 -12.186 3.632 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -5.440 -9.951 6.941 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -5.990 -13.559 3.642 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -7.479 -11.323 6.951 1.00 0.00 H new ATOM 0 HZ PHE B 101 -7.755 -13.131 5.303 1.00 0.00 H new ATOM 1600 N THR B 102 -2.973 -12.493 7.473 1.00 0.00 N ATOM 1601 CA THR B 102 -2.870 -13.917 7.710 1.00 0.00 C ATOM 1602 C THR B 102 -4.146 -14.402 8.385 1.00 0.00 C ATOM 1603 O THR B 102 -5.029 -13.606 8.701 1.00 0.00 O ATOM 1604 CB THR B 102 -1.644 -14.258 8.590 1.00 0.00 C ATOM 1605 OG1 THR B 102 -1.536 -15.680 8.770 1.00 0.00 O ATOM 1606 CG2 THR B 102 -1.735 -13.576 9.950 1.00 0.00 C ATOM 0 H THR B 102 -3.753 -12.047 7.956 1.00 0.00 H new ATOM 0 HA THR B 102 -2.738 -14.420 6.752 1.00 0.00 H new ATOM 0 HB THR B 102 -0.755 -13.890 8.077 1.00 0.00 H new ATOM 0 HG1 THR B 102 -1.300 -15.875 9.701 1.00 0.00 H new ATOM 0 HG21 THR B 102 -0.860 -13.834 10.546 1.00 0.00 H new ATOM 0 HG22 THR B 102 -1.775 -12.495 9.813 1.00 0.00 H new ATOM 0 HG23 THR B 102 -2.636 -13.910 10.465 1.00 0.00 H new ATOM 1614 N THR B 103 -4.246 -15.702 8.589 1.00 0.00 N ATOM 1615 CA THR B 103 -5.411 -16.283 9.223 1.00 0.00 C ATOM 1616 C THR B 103 -4.987 -17.030 10.487 1.00 0.00 C ATOM 1617 O THR B 103 -5.783 -17.716 11.129 1.00 0.00 O ATOM 1618 CB THR B 103 -6.137 -17.234 8.251 1.00 0.00 C ATOM 1619 OG1 THR B 103 -6.107 -16.669 6.930 1.00 0.00 O ATOM 1620 CG2 THR B 103 -7.584 -17.451 8.668 1.00 0.00 C ATOM 0 H THR B 103 -3.530 -16.378 8.323 1.00 0.00 H new ATOM 0 HA THR B 103 -6.102 -15.486 9.496 1.00 0.00 H new ATOM 0 HB THR B 103 -5.627 -18.197 8.267 1.00 0.00 H new ATOM 0 HG1 THR B 103 -6.697 -17.184 6.341 1.00 0.00 H new ATOM 0 HG21 THR B 103 -8.069 -18.126 7.963 1.00 0.00 H new ATOM 0 HG22 THR B 103 -7.613 -17.887 9.666 1.00 0.00 H new ATOM 0 HG23 THR B 103 -8.108 -16.495 8.674 1.00 0.00 H new ATOM 1628 N THR B 104 -3.718 -16.873 10.844 1.00 0.00 N ATOM 1629 CA THR B 104 -3.171 -17.491 12.039 1.00 0.00 C ATOM 1630 C THR B 104 -3.479 -16.650 13.275 1.00 0.00 C ATOM 1631 O THR B 104 -2.584 -16.083 13.904 1.00 0.00 O ATOM 1632 CB THR B 104 -1.648 -17.689 11.906 1.00 0.00 C ATOM 1633 OG1 THR B 104 -1.059 -16.534 11.292 1.00 0.00 O ATOM 1634 CG2 THR B 104 -1.327 -18.927 11.083 1.00 0.00 C ATOM 0 H THR B 104 -3.046 -16.317 10.315 1.00 0.00 H new ATOM 0 HA THR B 104 -3.642 -18.467 12.153 1.00 0.00 H new ATOM 0 HB THR B 104 -1.234 -17.824 12.905 1.00 0.00 H new ATOM 0 HG1 THR B 104 -0.091 -16.664 11.211 1.00 0.00 H new ATOM 0 HG21 THR B 104 -0.246 -19.042 11.005 1.00 0.00 H new ATOM 0 HG22 THR B 104 -1.752 -19.806 11.568 1.00 0.00 H new ATOM 0 HG23 THR B 104 -1.753 -18.821 10.085 1.00 0.00 H new ATOM 1642 N SER B 105 -4.755 -16.555 13.604 1.00 0.00 N ATOM 1643 CA SER B 105 -5.189 -15.812 14.772 1.00 0.00 C ATOM 1644 C SER B 105 -6.038 -16.709 15.665 1.00 0.00 C ATOM 1645 O SER B 105 -7.181 -16.387 15.994 1.00 0.00 O ATOM 1646 CB SER B 105 -5.973 -14.565 14.342 1.00 0.00 C ATOM 1647 OG SER B 105 -6.247 -13.717 15.448 1.00 0.00 O ATOM 0 H SER B 105 -5.513 -16.986 13.074 1.00 0.00 H new ATOM 0 HA SER B 105 -4.317 -15.485 15.338 1.00 0.00 H new ATOM 0 HB2 SER B 105 -5.403 -14.015 13.593 1.00 0.00 H new ATOM 0 HB3 SER B 105 -6.909 -14.866 13.872 1.00 0.00 H new ATOM 0 HG SER B 105 -6.637 -14.245 16.176 1.00 0.00 H new ATOM 1653 N THR B 106 -5.479 -17.848 16.036 1.00 0.00 N ATOM 1654 CA THR B 106 -6.183 -18.799 16.876 1.00 0.00 C ATOM 1655 C THR B 106 -6.015 -18.441 18.351 1.00 0.00 C ATOM 1656 O THR B 106 -6.990 -18.404 19.103 1.00 0.00 O ATOM 1657 CB THR B 106 -5.687 -20.233 16.618 1.00 0.00 C ATOM 1658 OG1 THR B 106 -5.735 -20.511 15.212 1.00 0.00 O ATOM 1659 CG2 THR B 106 -6.535 -21.251 17.365 1.00 0.00 C ATOM 0 H THR B 106 -4.538 -18.136 15.768 1.00 0.00 H new ATOM 0 HA THR B 106 -7.242 -18.751 16.623 1.00 0.00 H new ATOM 0 HB THR B 106 -4.661 -20.310 16.979 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.417 -21.424 15.048 1.00 0.00 H new ATOM 0 HG21 THR B 106 -6.161 -22.255 17.163 1.00 0.00 H new ATOM 0 HG22 THR B 106 -6.483 -21.053 18.436 1.00 0.00 H new ATOM 0 HG23 THR B 106 -7.570 -21.176 17.032 1.00 0.00 H new ATOM 1667 N SER B 107 -4.783 -18.159 18.758 1.00 0.00 N ATOM 1668 CA SER B 107 -4.516 -17.763 20.130 1.00 0.00 C ATOM 1669 C SER B 107 -4.808 -16.277 20.310 1.00 0.00 C ATOM 1670 O SER B 107 -5.324 -15.851 21.347 1.00 0.00 O ATOM 1671 CB SER B 107 -3.066 -18.074 20.509 1.00 0.00 C ATOM 1672 OG SER B 107 -2.814 -17.775 21.871 1.00 0.00 O ATOM 0 H SER B 107 -3.959 -18.198 18.159 1.00 0.00 H new ATOM 0 HA SER B 107 -5.169 -18.332 20.791 1.00 0.00 H new ATOM 0 HB2 SER B 107 -2.857 -19.127 20.321 1.00 0.00 H new ATOM 0 HB3 SER B 107 -2.391 -17.497 19.877 1.00 0.00 H new ATOM 0 HG SER B 107 -1.881 -17.985 22.085 1.00 0.00 H new ATOM 1678 N THR B 108 -4.480 -15.493 19.296 1.00 0.00 N ATOM 1679 CA THR B 108 -4.751 -14.071 19.322 1.00 0.00 C ATOM 1680 C THR B 108 -6.234 -13.808 19.062 1.00 0.00 C ATOM 1681 O THR B 108 -6.807 -14.347 18.111 1.00 0.00 O ATOM 1682 CB THR B 108 -3.892 -13.321 18.283 1.00 0.00 C ATOM 1683 OG1 THR B 108 -4.009 -13.946 16.997 1.00 0.00 O ATOM 1684 CG2 THR B 108 -2.429 -13.298 18.704 1.00 0.00 C ATOM 0 H THR B 108 -4.025 -15.821 18.444 1.00 0.00 H new ATOM 0 HA THR B 108 -4.491 -13.698 20.313 1.00 0.00 H new ATOM 0 HB THR B 108 -4.257 -12.296 18.222 1.00 0.00 H new ATOM 0 HG1 THR B 108 -4.887 -13.741 16.612 1.00 0.00 H new ATOM 0 HG21 THR B 108 -1.843 -12.764 17.956 1.00 0.00 H new ATOM 0 HG22 THR B 108 -2.335 -12.794 19.666 1.00 0.00 H new ATOM 0 HG23 THR B 108 -2.060 -14.320 18.792 1.00 0.00 H new ATOM 1692 N PRO B 109 -6.885 -13.012 19.928 1.00 0.00 N ATOM 1693 CA PRO B 109 -8.300 -12.663 19.771 1.00 0.00 C ATOM 1694 C PRO B 109 -8.566 -11.908 18.475 1.00 0.00 C ATOM 1695 O PRO B 109 -8.136 -10.765 18.309 1.00 0.00 O ATOM 1696 CB PRO B 109 -8.595 -11.761 20.977 1.00 0.00 C ATOM 1697 CG PRO B 109 -7.510 -12.052 21.953 1.00 0.00 C ATOM 1698 CD PRO B 109 -6.303 -12.401 21.133 1.00 0.00 C ATOM 0 HA PRO B 109 -8.929 -13.552 19.727 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -8.597 -10.709 20.691 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -9.575 -11.978 21.401 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -7.314 -11.188 22.589 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -7.787 -12.876 22.611 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -5.710 -11.519 20.892 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -5.645 -13.093 21.658 1.00 0.00 H new ATOM 1706 N GLY B 110 -9.292 -12.545 17.565 1.00 0.00 N ATOM 1707 CA GLY B 110 -9.604 -11.925 16.290 1.00 0.00 C ATOM 1708 C GLY B 110 -10.724 -10.910 16.402 1.00 0.00 C ATOM 1709 O GLY B 110 -11.298 -10.491 15.398 1.00 0.00 O ATOM 0 H GLY B 110 -9.672 -13.484 17.687 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -8.712 -11.436 15.898 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -9.886 -12.696 15.573 1.00 0.00 H new ATOM 1713 N SER B 111 -11.019 -10.503 17.629 1.00 0.00 N ATOM 1714 CA SER B 111 -12.073 -9.544 17.893 1.00 0.00 C ATOM 1715 C SER B 111 -11.594 -8.111 17.656 1.00 0.00 C ATOM 1716 O SER B 111 -12.348 -7.156 17.842 1.00 0.00 O ATOM 1717 CB SER B 111 -12.563 -9.712 19.330 1.00 0.00 C ATOM 1718 OG SER B 111 -11.471 -9.763 20.234 1.00 0.00 O ATOM 0 H SER B 111 -10.534 -10.830 18.465 1.00 0.00 H new ATOM 0 HA SER B 111 -12.896 -9.733 17.203 1.00 0.00 H new ATOM 0 HB2 SER B 111 -13.220 -8.883 19.594 1.00 0.00 H new ATOM 0 HB3 SER B 111 -13.152 -10.625 19.413 1.00 0.00 H new ATOM 0 HG SER B 111 -11.808 -9.869 21.148 1.00 0.00 H new ATOM 1724 N ARG B 112 -10.339 -7.961 17.239 1.00 0.00 N ATOM 1725 CA ARG B 112 -9.795 -6.643 16.922 1.00 0.00 C ATOM 1726 C ARG B 112 -10.150 -6.256 15.487 1.00 0.00 C ATOM 1727 O ARG B 112 -9.601 -5.308 14.925 1.00 0.00 O ATOM 1728 CB ARG B 112 -8.273 -6.605 17.117 1.00 0.00 C ATOM 1729 CG ARG B 112 -7.493 -7.475 16.140 1.00 0.00 C ATOM 1730 CD ARG B 112 -5.995 -7.219 16.243 1.00 0.00 C ATOM 1731 NE ARG B 112 -5.234 -8.019 15.283 1.00 0.00 N ATOM 1732 CZ ARG B 112 -3.981 -7.751 14.910 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -3.336 -6.705 15.418 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -3.371 -8.532 14.029 1.00 0.00 N ATOM 0 H ARG B 112 -9.683 -8.732 17.113 1.00 0.00 H new ATOM 0 HA ARG B 112 -10.241 -5.923 17.608 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -7.932 -5.574 17.020 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -8.041 -6.923 18.133 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -7.699 -8.526 16.342 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -7.829 -7.274 15.123 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -5.796 -6.161 16.072 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -5.657 -7.448 17.254 1.00 0.00 H new ATOM 0 HE ARG B 112 -5.690 -8.834 14.873 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -3.799 -6.101 16.098 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -2.378 -6.506 15.128 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -3.859 -9.337 13.637 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -2.413 -8.328 13.743 1.00 0.00 H new ATOM 1748 N SER B 113 -11.084 -6.995 14.908 1.00 0.00 N ATOM 1749 CA SER B 113 -11.535 -6.761 13.546 1.00 0.00 C ATOM 1750 C SER B 113 -12.612 -5.675 13.505 1.00 0.00 C ATOM 1751 O SER B 113 -13.700 -5.868 12.958 1.00 0.00 O ATOM 1752 CB SER B 113 -12.056 -8.073 12.957 1.00 0.00 C ATOM 1753 OG SER B 113 -12.775 -8.812 13.933 1.00 0.00 O ATOM 0 H SER B 113 -11.551 -7.775 15.371 1.00 0.00 H new ATOM 0 HA SER B 113 -10.696 -6.408 12.946 1.00 0.00 H new ATOM 0 HB2 SER B 113 -12.702 -7.863 12.104 1.00 0.00 H new ATOM 0 HB3 SER B 113 -11.221 -8.667 12.586 1.00 0.00 H new ATOM 0 HG SER B 113 -12.218 -9.548 14.262 1.00 0.00 H new ATOM 1759 N HIS B 114 -12.304 -4.535 14.103 1.00 0.00 N ATOM 1760 CA HIS B 114 -13.219 -3.404 14.122 1.00 0.00 C ATOM 1761 C HIS B 114 -12.521 -2.168 13.576 1.00 0.00 C ATOM 1762 O HIS B 114 -12.628 -1.075 14.134 1.00 0.00 O ATOM 1763 CB HIS B 114 -13.736 -3.138 15.540 1.00 0.00 C ATOM 1764 CG HIS B 114 -14.596 -4.234 16.087 1.00 0.00 C ATOM 1765 ND1 HIS B 114 -14.347 -4.857 17.288 1.00 0.00 N ATOM 1766 CD2 HIS B 114 -15.713 -4.814 15.590 1.00 0.00 C ATOM 1767 CE1 HIS B 114 -15.271 -5.772 17.507 1.00 0.00 C ATOM 1768 NE2 HIS B 114 -16.114 -5.766 16.493 1.00 0.00 N ATOM 0 H HIS B 114 -11.421 -4.368 14.585 1.00 0.00 H new ATOM 0 HA HIS B 114 -14.075 -3.642 13.491 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -12.885 -2.991 16.205 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -14.305 -2.208 15.540 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -16.199 -4.572 14.656 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -15.328 -6.417 18.371 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -16.930 -6.370 16.396 1.00 0.00 H new ATOM 1777 N HIS B 115 -11.807 -2.347 12.477 1.00 0.00 N ATOM 1778 CA HIS B 115 -11.047 -1.261 11.885 1.00 0.00 C ATOM 1779 C HIS B 115 -11.769 -0.723 10.651 1.00 0.00 C ATOM 1780 O HIS B 115 -11.142 -0.298 9.683 1.00 0.00 O ATOM 1781 CB HIS B 115 -9.639 -1.743 11.519 1.00 0.00 C ATOM 1782 CG HIS B 115 -8.611 -0.653 11.522 1.00 0.00 C ATOM 1783 ND1 HIS B 115 -7.726 -0.459 12.561 1.00 0.00 N ATOM 1784 CD2 HIS B 115 -8.326 0.303 10.607 1.00 0.00 C ATOM 1785 CE1 HIS B 115 -6.946 0.568 12.285 1.00 0.00 C ATOM 1786 NE2 HIS B 115 -7.288 1.048 11.106 1.00 0.00 N ATOM 0 H HIS B 115 -11.738 -3.234 11.978 1.00 0.00 H new ATOM 0 HA HIS B 115 -10.959 -0.453 12.611 1.00 0.00 H new ATOM 0 HB2 HIS B 115 -9.336 -2.519 12.222 1.00 0.00 H new ATOM 0 HB3 HIS B 115 -9.667 -2.202 10.531 1.00 0.00 H new ATOM 0 HD1 HIS B 115 -7.681 -1.022 13.410 1.00 0.00 H new ATOM 0 HD2 HIS B 115 -8.823 0.452 9.660 1.00 0.00 H new ATOM 0 HE1 HIS B 115 -6.160 0.951 12.918 1.00 0.00 H new ATOM 1795 N HIS B 116 -13.093 -0.748 10.691 1.00 0.00 N ATOM 1796 CA HIS B 116 -13.900 -0.251 9.583 1.00 0.00 C ATOM 1797 C HIS B 116 -14.481 1.120 9.907 1.00 0.00 C ATOM 1798 O HIS B 116 -14.853 1.876 9.010 1.00 0.00 O ATOM 1799 CB HIS B 116 -15.041 -1.217 9.255 1.00 0.00 C ATOM 1800 CG HIS B 116 -14.594 -2.535 8.704 1.00 0.00 C ATOM 1801 ND1 HIS B 116 -14.792 -3.730 9.359 1.00 0.00 N ATOM 1802 CD2 HIS B 116 -13.980 -2.843 7.539 1.00 0.00 C ATOM 1803 CE1 HIS B 116 -14.319 -4.716 8.621 1.00 0.00 C ATOM 1804 NE2 HIS B 116 -13.822 -4.204 7.512 1.00 0.00 N ATOM 0 H HIS B 116 -13.633 -1.107 11.478 1.00 0.00 H new ATOM 0 HA HIS B 116 -13.245 -0.168 8.716 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -15.623 -1.393 10.159 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -15.707 -0.742 8.535 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -13.672 -2.147 6.773 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -14.336 -5.764 8.881 1.00 0.00 H new ATOM 0 HE2 HIS B 116 -13.390 -4.735 6.756 1.00 0.00 H new ATOM 1813 N HIS B 117 -14.573 1.432 11.192 1.00 0.00 N ATOM 1814 CA HIS B 117 -15.126 2.709 11.626 1.00 0.00 C ATOM 1815 C HIS B 117 -14.044 3.598 12.211 1.00 0.00 C ATOM 1816 O HIS B 117 -13.415 3.243 13.209 1.00 0.00 O ATOM 1817 CB HIS B 117 -16.215 2.513 12.684 1.00 0.00 C ATOM 1818 CG HIS B 117 -17.433 1.785 12.205 1.00 0.00 C ATOM 1819 ND1 HIS B 117 -18.126 0.893 12.992 1.00 0.00 N ATOM 1820 CD2 HIS B 117 -18.100 1.843 11.029 1.00 0.00 C ATOM 1821 CE1 HIS B 117 -19.166 0.435 12.324 1.00 0.00 C ATOM 1822 NE2 HIS B 117 -19.173 0.995 11.132 1.00 0.00 N ATOM 0 H HIS B 117 -14.273 0.821 11.951 1.00 0.00 H new ATOM 0 HA HIS B 117 -15.557 3.183 10.744 1.00 0.00 H new ATOM 0 HB2 HIS B 117 -15.790 1.966 13.526 1.00 0.00 H new ATOM 0 HB3 HIS B 117 -16.517 3.491 13.059 1.00 0.00 H new ATOM 0 HD2 HIS B 117 -17.837 2.444 10.171 1.00 0.00 H new ATOM 0 HE1 HIS B 117 -19.889 -0.278 12.692 1.00 0.00 H new ATOM 0 HE2 HIS B 117 -19.865 0.825 10.402 1.00 0.00 H new ATOM 1831 N HIS B 118 -13.823 4.749 11.599 1.00 0.00 N ATOM 1832 CA HIS B 118 -12.932 5.745 12.176 1.00 0.00 C ATOM 1833 C HIS B 118 -13.706 6.612 13.158 1.00 0.00 C ATOM 1834 O HIS B 118 -13.132 7.245 14.042 1.00 0.00 O ATOM 1835 CB HIS B 118 -12.283 6.613 11.095 1.00 0.00 C ATOM 1836 CG HIS B 118 -11.159 5.939 10.371 1.00 0.00 C ATOM 1837 ND1 HIS B 118 -11.104 5.825 8.999 1.00 0.00 N ATOM 1838 CD2 HIS B 118 -10.026 5.363 10.838 1.00 0.00 C ATOM 1839 CE1 HIS B 118 -9.990 5.208 8.654 1.00 0.00 C ATOM 1840 NE2 HIS B 118 -9.317 4.916 9.751 1.00 0.00 N ATOM 0 H HIS B 118 -14.244 5.017 10.709 1.00 0.00 H new ATOM 0 HA HIS B 118 -12.131 5.225 12.701 1.00 0.00 H new ATOM 0 HB2 HIS B 118 -13.044 6.906 10.372 1.00 0.00 H new ATOM 0 HB3 HIS B 118 -11.910 7.529 11.553 1.00 0.00 H new ATOM 0 HD2 HIS B 118 -9.734 5.272 11.874 1.00 0.00 H new ATOM 0 HE1 HIS B 118 -9.681 4.980 7.644 1.00 0.00 H new ATOM 0 HE2 HIS B 118 -8.417 4.437 9.785 1.00 0.00 H new ATOM 1849 N HIS B 119 -15.022 6.630 12.992 1.00 0.00 N ATOM 1850 CA HIS B 119 -15.905 7.308 13.928 1.00 0.00 C ATOM 1851 C HIS B 119 -16.872 6.304 14.534 1.00 0.00 C ATOM 1852 O HIS B 119 -18.064 6.320 14.165 1.00 0.00 O ATOM 1853 CB HIS B 119 -16.684 8.434 13.236 1.00 0.00 C ATOM 1854 CG HIS B 119 -15.835 9.594 12.824 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -15.679 9.988 11.514 1.00 0.00 N ATOM 1856 CD2 HIS B 119 -15.103 10.459 13.564 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -14.886 11.041 11.464 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -14.523 11.348 12.695 1.00 0.00 N ATOM 1859 OXT HIS B 119 -16.426 5.470 15.349 1.00 0.00 O ATOM 0 H HIS B 119 -15.502 6.180 12.213 1.00 0.00 H new ATOM 0 HA HIS B 119 -15.297 7.753 14.716 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -17.182 8.030 12.355 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -17.465 8.789 13.909 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -14.995 10.451 14.639 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -14.585 11.563 10.568 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -13.911 12.120 12.958 1.00 0.00 H new TER 1868 HIS B 119