USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 976 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 GLN : amide:sc= 0 K(o=-0.062,f=-1) USER MOD Set 1.2: A 120 TYR OH : rot 180:sc= -0.0623 USER MOD Set 2.1: A 90 GLN :FLIP amide:sc= -0.0966 F(o=-10!,f=-7.3) USER MOD Set 2.2: A 95 HIS :FLIP no HE2:sc= -7.19! C(o=-10!,f=-7.3!) USER MOD Set 3.1: A 74 HIS : +bothHN:sc= -1.63! C(o=-1.6!,f=-6!) USER MOD Set 3.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 44 LYS NZ :NH3+ 166:sc= -0.074 (180deg=-0.191) USER MOD Set 4.2: A 45 MET CE :methyl 180:sc=-0.00581 (180deg=0) USER MOD Set 5.1: A 22 LYS NZ :NH3+ 172:sc=-0.00563 (180deg=-0.0401) USER MOD Set 5.2: A 43 THR OG1 : rot -140:sc= -2.97! USER MOD Set 6.1: A 9 GLN :FLIP amide:sc= 1.02 F(o=-2.2,f=2.3) USER MOD Set 6.2: A 10 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 1 CYS N :NH3+ -168:sc= 0 (180deg=-0.12) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-2.3!) USER MOD Single : A 14 ASN : amide:sc=-0.00522 X(o=-0.0052,f=-0.0064) USER MOD Single : A 15 SER OG : rot 130:sc= -2.57 USER MOD Single : A 26 THR OG1 : rot 90:sc= -3.53! USER MOD Single : A 30 ASN :FLIP amide:sc= 0.325 F(o=-6!,f=0.32) USER MOD Single : A 31 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.0027) USER MOD Single : A 32 THR OG1 : rot 28:sc= 0.00646 USER MOD Single : A 33 THR OG1 : rot 65:sc= -4.73! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -12.9! C(o=-13!,f=-14!) USER MOD Single : A 38 TYR OH : rot 180:sc= -1.35! USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= -0.938 (180deg=-2.62!) USER MOD Single : A 42 MET CE :methyl 142:sc= -0.793 (180deg=-3.49!) USER MOD Single : A 46 TYR OH : rot 180:sc= -2.26! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0036 USER MOD Single : A 63 THR OG1 : rot -150:sc= -3.3! USER MOD Single : A 66 MET CE :methyl -153:sc= -0.227 (180deg=-1.38!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 147:sc= -0.717 USER MOD Single : A 77 HIS :FLIP no HE2:sc= -0.241 F(o=-1.1,f=-0.24) USER MOD Single : A 78 ASN :FLIP amide:sc= -2.48! C(o=-6.8!,f=-2.5!) USER MOD Single : A 80 SER OG : rot -58:sc= 0.0877 USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= -0.849 (180deg=-2.16!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -170:sc= -0.387 USER MOD Single : A 100 SER OG : rot 123:sc= 0.703 USER MOD Single : A 106 ASN :FLIP amide:sc= -1.78! C(o=-3.9!,f=-1.8!) USER MOD Single : A 107 SER OG : rot -40:sc= 0.0132 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= -1.08 (180deg=-1.23) USER MOD Single : A 119 THR OG1 : rot -121:sc= -9.34! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -9.038 16.073 3.190 1.00 0.00 N ATOM 2 CA CYS A 1 -8.227 15.005 3.835 1.00 0.00 C ATOM 3 C CYS A 1 -7.026 14.646 2.988 1.00 0.00 C ATOM 4 O CYS A 1 -5.931 14.415 3.499 1.00 0.00 O ATOM 5 CB CYS A 1 -9.115 13.768 4.039 1.00 0.00 C ATOM 6 SG CYS A 1 -8.676 12.308 3.021 1.00 0.00 S ATOM 0 H1 CYS A 1 -9.731 16.442 3.872 1.00 0.00 H new ATOM 0 H2 CYS A 1 -8.413 16.844 2.880 1.00 0.00 H new ATOM 0 H3 CYS A 1 -9.538 15.680 2.367 1.00 0.00 H new ATOM 0 HA CYS A 1 -7.860 15.367 4.795 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -9.075 13.482 5.090 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -10.147 14.043 3.823 1.00 0.00 H new ATOM 13 N THR A 2 -7.249 14.571 1.691 1.00 0.00 N ATOM 14 CA THR A 2 -6.201 14.200 0.771 1.00 0.00 C ATOM 15 C THR A 2 -5.004 15.148 0.844 1.00 0.00 C ATOM 16 O THR A 2 -5.046 16.274 0.350 1.00 0.00 O ATOM 17 CB THR A 2 -6.750 14.138 -0.655 1.00 0.00 C ATOM 18 OG1 THR A 2 -5.729 13.799 -1.584 1.00 0.00 O ATOM 19 CG2 THR A 2 -7.376 15.438 -1.113 1.00 0.00 C ATOM 0 H THR A 2 -8.150 14.763 1.253 1.00 0.00 H new ATOM 0 HA THR A 2 -5.844 13.212 1.063 1.00 0.00 H new ATOM 0 HB THR A 2 -7.522 13.369 -0.627 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.107 13.765 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.745 15.325 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.205 15.695 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.629 16.232 -1.083 1.00 0.00 H new ATOM 27 N CYS A 3 -3.930 14.652 1.443 1.00 0.00 N ATOM 28 CA CYS A 3 -2.692 15.410 1.582 1.00 0.00 C ATOM 29 C CYS A 3 -1.650 14.918 0.576 1.00 0.00 C ATOM 30 O CYS A 3 -1.962 14.125 -0.312 1.00 0.00 O ATOM 31 CB CYS A 3 -2.154 15.275 3.008 1.00 0.00 C ATOM 32 SG CYS A 3 -1.729 13.579 3.469 1.00 0.00 S ATOM 0 H CYS A 3 -3.891 13.716 1.846 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.900 16.461 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.269 15.903 3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.900 15.655 3.706 1.00 0.00 H new ATOM 37 N VAL A 4 -0.413 15.391 0.719 1.00 0.00 N ATOM 38 CA VAL A 4 0.670 14.997 -0.181 1.00 0.00 C ATOM 39 C VAL A 4 1.542 13.901 0.455 1.00 0.00 C ATOM 40 O VAL A 4 1.459 13.661 1.660 1.00 0.00 O ATOM 41 CB VAL A 4 1.534 16.220 -0.577 1.00 0.00 C ATOM 42 CG1 VAL A 4 0.651 17.375 -1.035 1.00 0.00 C ATOM 43 CG2 VAL A 4 2.431 16.657 0.571 1.00 0.00 C ATOM 0 H VAL A 4 -0.136 16.047 1.449 1.00 0.00 H new ATOM 0 HA VAL A 4 0.220 14.591 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 4 2.174 15.921 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.276 18.225 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.063 17.064 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.019 17.664 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.025 17.517 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.817 16.930 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.095 15.838 0.846 1.00 0.00 H new ATOM 53 N PRO A 5 2.376 13.208 -0.352 1.00 0.00 N ATOM 54 CA PRO A 5 3.249 12.122 0.121 1.00 0.00 C ATOM 55 C PRO A 5 3.811 12.358 1.529 1.00 0.00 C ATOM 56 O PRO A 5 4.598 13.280 1.744 1.00 0.00 O ATOM 57 CB PRO A 5 4.359 12.130 -0.923 1.00 0.00 C ATOM 58 CG PRO A 5 3.650 12.476 -2.189 1.00 0.00 C ATOM 59 CD PRO A 5 2.528 13.414 -1.806 1.00 0.00 C ATOM 0 HA PRO A 5 2.719 11.174 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.130 12.862 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.851 11.160 -0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.329 12.951 -2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.260 11.581 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.775 14.450 -2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.609 13.177 -2.342 1.00 0.00 H new ATOM 67 N PRO A 6 3.398 11.531 2.513 1.00 0.00 N ATOM 68 CA PRO A 6 3.831 11.647 3.901 1.00 0.00 C ATOM 69 C PRO A 6 5.037 10.788 4.242 1.00 0.00 C ATOM 70 O PRO A 6 5.098 9.604 3.897 1.00 0.00 O ATOM 71 CB PRO A 6 2.590 11.191 4.676 1.00 0.00 C ATOM 72 CG PRO A 6 1.761 10.388 3.710 1.00 0.00 C ATOM 73 CD PRO A 6 2.450 10.425 2.367 1.00 0.00 C ATOM 0 HA PRO A 6 4.166 12.657 4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.871 10.590 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.029 12.047 5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.658 9.360 4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.755 10.801 3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.957 9.485 2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.744 10.603 1.556 1.00 0.00 H new ATOM 81 N HIS A 7 6.023 11.411 4.881 1.00 0.00 N ATOM 82 CA HIS A 7 7.275 10.778 5.241 1.00 0.00 C ATOM 83 C HIS A 7 7.189 9.267 5.444 1.00 0.00 C ATOM 84 O HIS A 7 6.383 8.768 6.231 1.00 0.00 O ATOM 85 CB HIS A 7 7.790 11.425 6.526 1.00 0.00 C ATOM 86 CG HIS A 7 7.970 12.911 6.430 1.00 0.00 C ATOM 87 ND1 HIS A 7 8.549 13.535 5.344 1.00 0.00 N ATOM 88 CD2 HIS A 7 7.632 13.903 7.292 1.00 0.00 C ATOM 89 CE1 HIS A 7 8.560 14.841 5.541 1.00 0.00 C ATOM 90 NE2 HIS A 7 8.010 15.090 6.714 1.00 0.00 N ATOM 0 H HIS A 7 5.967 12.389 5.166 1.00 0.00 H new ATOM 0 HA HIS A 7 7.952 10.928 4.400 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.094 11.205 7.336 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.744 10.970 6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 7 7.155 13.782 8.253 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.953 15.580 4.858 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.886 16.015 7.125 1.00 0.00 H new ATOM 99 N PRO A 8 8.075 8.532 4.743 1.00 0.00 N ATOM 100 CA PRO A 8 8.173 7.072 4.831 1.00 0.00 C ATOM 101 C PRO A 8 8.704 6.654 6.191 1.00 0.00 C ATOM 102 O PRO A 8 8.530 5.519 6.621 1.00 0.00 O ATOM 103 CB PRO A 8 9.190 6.729 3.741 1.00 0.00 C ATOM 104 CG PRO A 8 10.050 7.925 3.709 1.00 0.00 C ATOM 105 CD PRO A 8 9.095 9.073 3.829 1.00 0.00 C ATOM 0 HA PRO A 8 7.214 6.569 4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.756 5.830 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.708 6.551 2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.769 7.919 4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.622 7.979 2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.576 9.962 4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.671 9.353 2.865 1.00 0.00 H new ATOM 113 N GLN A 9 9.310 7.607 6.887 1.00 0.00 N ATOM 114 CA GLN A 9 9.822 7.370 8.216 1.00 0.00 C ATOM 115 C GLN A 9 8.664 7.103 9.112 1.00 0.00 C ATOM 116 O GLN A 9 8.716 6.245 9.989 1.00 0.00 O ATOM 117 CB GLN A 9 10.577 8.600 8.729 1.00 0.00 C ATOM 118 CG GLN A 9 10.678 8.742 10.244 1.00 0.00 C ATOM 119 CD GLN A 9 10.032 10.017 10.758 1.00 0.00 C ATOM 120 OE1 GLN A 9 8.709 10.062 10.728 1.00 0.00 O flip ATOM 121 NE2 GLN A 9 10.718 10.951 11.178 1.00 0.00 N flip ATOM 0 H GLN A 9 9.456 8.556 6.543 1.00 0.00 H new ATOM 0 HA GLN A 9 10.509 6.524 8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.586 8.579 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.090 9.491 8.333 1.00 0.00 H new ATOM 0 HG2 GLN A 9 10.203 7.883 10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.728 8.728 10.537 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.735 10.875 11.183 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.269 11.800 11.520 1.00 0.00 H new ATOM 130 N THR A 10 7.576 7.810 8.841 1.00 0.00 N ATOM 131 CA THR A 10 6.348 7.647 9.553 1.00 0.00 C ATOM 132 C THR A 10 5.476 6.617 8.841 1.00 0.00 C ATOM 133 O THR A 10 4.872 5.773 9.486 1.00 0.00 O ATOM 134 CB THR A 10 5.669 9.030 9.657 1.00 0.00 C ATOM 135 OG1 THR A 10 6.012 9.673 10.876 1.00 0.00 O ATOM 136 CG2 THR A 10 4.153 9.048 9.521 1.00 0.00 C ATOM 0 H THR A 10 7.536 8.518 8.108 1.00 0.00 H new ATOM 0 HA THR A 10 6.519 7.271 10.562 1.00 0.00 H new ATOM 0 HB THR A 10 6.058 9.563 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.957 9.931 10.855 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.792 10.072 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.870 8.648 8.547 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.710 8.437 10.307 1.00 0.00 H new ATOM 144 N ALA A 11 5.410 6.665 7.505 1.00 0.00 N ATOM 145 CA ALA A 11 4.612 5.719 6.731 1.00 0.00 C ATOM 146 C ALA A 11 5.104 4.284 6.887 1.00 0.00 C ATOM 147 O ALA A 11 4.306 3.356 6.936 1.00 0.00 O ATOM 148 CB ALA A 11 4.643 6.098 5.265 1.00 0.00 C ATOM 0 H ALA A 11 5.904 7.355 6.939 1.00 0.00 H new ATOM 0 HA ALA A 11 3.593 5.768 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.046 5.388 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.234 7.100 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.672 6.079 4.906 1.00 0.00 H new ATOM 154 N PHE A 12 6.419 4.099 6.954 1.00 0.00 N ATOM 155 CA PHE A 12 6.983 2.759 7.096 1.00 0.00 C ATOM 156 C PHE A 12 6.631 2.195 8.455 1.00 0.00 C ATOM 157 O PHE A 12 5.991 1.150 8.585 1.00 0.00 O ATOM 158 CB PHE A 12 8.497 2.782 6.902 1.00 0.00 C ATOM 159 CG PHE A 12 9.074 1.466 6.473 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.952 0.346 7.273 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.744 1.355 5.269 1.00 0.00 C ATOM 162 CE1 PHE A 12 9.490 -0.865 6.879 1.00 0.00 C ATOM 163 CE2 PHE A 12 10.283 0.148 4.868 1.00 0.00 C ATOM 164 CZ PHE A 12 10.156 -0.963 5.675 1.00 0.00 C ATOM 0 H PHE A 12 7.108 4.850 6.913 1.00 0.00 H new ATOM 0 HA PHE A 12 6.556 2.118 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.747 3.537 6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.969 3.087 7.836 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.431 0.417 8.216 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.847 2.223 4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 12 9.389 -1.733 7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.803 0.075 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.577 -1.908 5.365 1.00 0.00 H new ATOM 174 N CYS A 13 7.198 2.853 9.459 1.00 0.00 N ATOM 175 CA CYS A 13 7.110 2.413 10.831 1.00 0.00 C ATOM 176 C CYS A 13 5.736 2.529 11.438 1.00 0.00 C ATOM 177 O CYS A 13 5.371 1.700 12.274 1.00 0.00 O ATOM 178 CB CYS A 13 8.118 3.183 11.678 1.00 0.00 C ATOM 179 SG CYS A 13 9.839 2.620 11.459 1.00 0.00 S ATOM 0 H CYS A 13 7.734 3.712 9.335 1.00 0.00 H new ATOM 0 HA CYS A 13 7.339 1.347 10.822 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.057 4.242 11.427 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.845 3.088 12.729 1.00 0.00 H new ATOM 184 N ASN A 14 4.934 3.504 11.033 1.00 0.00 N ATOM 185 CA ASN A 14 3.610 3.607 11.591 1.00 0.00 C ATOM 186 C ASN A 14 2.693 2.576 10.969 1.00 0.00 C ATOM 187 O ASN A 14 1.784 2.076 11.632 1.00 0.00 O ATOM 188 CB ASN A 14 3.038 5.017 11.366 1.00 0.00 C ATOM 189 CG ASN A 14 2.816 5.774 12.658 1.00 0.00 C ATOM 190 OD1 ASN A 14 2.062 5.334 13.524 1.00 0.00 O ATOM 191 ND2 ASN A 14 3.472 6.923 12.793 1.00 0.00 N ATOM 0 H ASN A 14 5.175 4.212 10.340 1.00 0.00 H new ATOM 0 HA ASN A 14 3.677 3.421 12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.719 5.583 10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.093 4.939 10.829 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.360 7.478 13.642 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.088 7.249 12.048 1.00 0.00 H new ATOM 198 N SER A 15 2.885 2.251 9.684 1.00 0.00 N ATOM 199 CA SER A 15 2.060 1.304 9.005 1.00 0.00 C ATOM 200 C SER A 15 2.363 -0.116 9.387 1.00 0.00 C ATOM 201 O SER A 15 3.461 -0.475 9.812 1.00 0.00 O ATOM 202 CB SER A 15 2.212 1.425 7.497 1.00 0.00 C ATOM 203 OG SER A 15 0.959 1.337 6.844 1.00 0.00 O ATOM 0 H SER A 15 3.624 2.650 9.105 1.00 0.00 H new ATOM 0 HA SER A 15 1.040 1.539 9.309 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.686 2.376 7.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.871 0.637 7.132 1.00 0.00 H new ATOM 0 HG SER A 15 0.863 2.085 6.218 1.00 0.00 H new ATOM 209 N ASP A 16 1.320 -0.872 9.277 1.00 0.00 N ATOM 210 CA ASP A 16 1.323 -2.278 9.620 1.00 0.00 C ATOM 211 C ASP A 16 1.247 -3.199 8.418 1.00 0.00 C ATOM 212 O ASP A 16 1.140 -4.410 8.577 1.00 0.00 O ATOM 213 CB ASP A 16 0.157 -2.563 10.535 1.00 0.00 C ATOM 214 CG ASP A 16 0.537 -2.456 11.994 1.00 0.00 C ATOM 215 OD1 ASP A 16 0.550 -1.327 12.530 1.00 0.00 O ATOM 216 OD2 ASP A 16 0.830 -3.505 12.598 1.00 0.00 O ATOM 0 H ASP A 16 0.418 -0.534 8.941 1.00 0.00 H new ATOM 0 HA ASP A 16 2.276 -2.480 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.651 -1.864 10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.225 -3.564 10.333 1.00 0.00 H new ATOM 221 N LEU A 17 1.449 -2.642 7.237 1.00 0.00 N ATOM 222 CA LEU A 17 1.559 -3.457 6.036 1.00 0.00 C ATOM 223 C LEU A 17 2.147 -2.634 4.916 1.00 0.00 C ATOM 224 O LEU A 17 1.541 -1.681 4.439 1.00 0.00 O ATOM 225 CB LEU A 17 0.231 -4.069 5.610 1.00 0.00 C ATOM 226 CG LEU A 17 -0.215 -5.266 6.429 1.00 0.00 C ATOM 227 CD1 LEU A 17 -1.481 -5.855 5.850 1.00 0.00 C ATOM 228 CD2 LEU A 17 0.887 -6.317 6.506 1.00 0.00 C ATOM 0 H LEU A 17 1.540 -1.638 7.082 1.00 0.00 H new ATOM 0 HA LEU A 17 2.221 -4.291 6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.541 -3.301 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.305 -4.370 4.565 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.423 -4.928 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.790 -6.713 6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.270 -5.103 5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.298 -6.174 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.541 -7.164 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.138 -6.656 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.771 -5.884 6.974 1.00 0.00 H new ATOM 240 N VAL A 18 3.330 -3.019 4.491 1.00 0.00 N ATOM 241 CA VAL A 18 4.009 -2.338 3.422 1.00 0.00 C ATOM 242 C VAL A 18 4.522 -3.371 2.470 1.00 0.00 C ATOM 243 O VAL A 18 5.161 -4.329 2.897 1.00 0.00 O ATOM 244 CB VAL A 18 5.214 -1.512 3.919 1.00 0.00 C ATOM 245 CG1 VAL A 18 5.741 -0.609 2.812 1.00 0.00 C ATOM 246 CG2 VAL A 18 4.846 -0.702 5.152 1.00 0.00 C ATOM 0 H VAL A 18 3.843 -3.811 4.878 1.00 0.00 H new ATOM 0 HA VAL A 18 3.300 -1.654 2.955 1.00 0.00 H new ATOM 0 HB VAL A 18 6.008 -2.205 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.590 -0.036 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.057 -1.218 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.953 0.074 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.712 -0.129 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.031 -0.020 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.531 -1.375 5.949 1.00 0.00 H new ATOM 256 N ILE A 19 4.160 -3.265 1.204 1.00 0.00 N ATOM 257 CA ILE A 19 4.499 -4.290 0.256 1.00 0.00 C ATOM 258 C ILE A 19 4.521 -3.769 -1.162 1.00 0.00 C ATOM 259 O ILE A 19 3.807 -2.827 -1.513 1.00 0.00 O ATOM 260 CB ILE A 19 3.435 -5.427 0.316 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.047 -4.913 -0.102 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.357 -6.048 1.702 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.411 -3.948 0.881 1.00 0.00 C ATOM 0 H ILE A 19 3.634 -2.481 0.818 1.00 0.00 H new ATOM 0 HA ILE A 19 5.493 -4.651 0.520 1.00 0.00 H new ATOM 0 HB ILE A 19 3.753 -6.195 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.132 -4.421 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.382 -5.767 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.605 -6.837 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.326 -6.470 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.084 -5.283 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.436 -3.637 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.289 -4.440 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.051 -3.073 0.998 1.00 0.00 H new ATOM 275 N ARG A 20 5.338 -4.401 -1.976 1.00 0.00 N ATOM 276 CA ARG A 20 5.441 -4.026 -3.361 1.00 0.00 C ATOM 277 C ARG A 20 4.510 -4.929 -4.172 1.00 0.00 C ATOM 278 O ARG A 20 4.498 -6.152 -4.032 1.00 0.00 O ATOM 279 CB ARG A 20 6.898 -4.063 -3.860 1.00 0.00 C ATOM 280 CG ARG A 20 7.374 -5.416 -4.348 1.00 0.00 C ATOM 281 CD ARG A 20 7.813 -5.360 -5.801 1.00 0.00 C ATOM 282 NE ARG A 20 8.901 -6.304 -6.078 1.00 0.00 N ATOM 283 CZ ARG A 20 10.161 -5.953 -6.283 1.00 0.00 C ATOM 284 NH1 ARG A 20 10.524 -4.683 -6.205 1.00 0.00 N ATOM 285 NH2 ARG A 20 11.065 -6.882 -6.562 1.00 0.00 N ATOM 0 H ARG A 20 5.939 -5.177 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 20 5.127 -2.990 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.007 -3.342 -4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.551 -3.735 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.204 -5.756 -3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.573 -6.147 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.964 -5.585 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.139 -4.349 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 20 8.672 -7.297 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.831 -3.967 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.497 -4.420 -6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.788 -7.862 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.037 -6.616 -6.721 1.00 0.00 H new ATOM 299 N ALA A 21 3.699 -4.268 -4.971 1.00 0.00 N ATOM 300 CA ALA A 21 2.704 -4.953 -5.787 1.00 0.00 C ATOM 301 C ALA A 21 2.217 -4.126 -6.949 1.00 0.00 C ATOM 302 O ALA A 21 2.373 -2.914 -7.025 1.00 0.00 O ATOM 303 CB ALA A 21 1.540 -5.389 -4.913 1.00 0.00 C ATOM 0 H ALA A 21 3.705 -3.254 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 21 3.190 -5.827 -6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.797 -5.901 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.900 -6.066 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.086 -4.514 -4.448 1.00 0.00 H new ATOM 309 N LYS A 22 1.534 -4.878 -7.817 1.00 0.00 N ATOM 310 CA LYS A 22 0.850 -4.394 -9.008 1.00 0.00 C ATOM 311 C LYS A 22 -0.669 -4.467 -8.818 1.00 0.00 C ATOM 312 O LYS A 22 -1.153 -5.256 -8.011 1.00 0.00 O ATOM 313 CB LYS A 22 1.280 -5.222 -10.226 1.00 0.00 C ATOM 314 CG LYS A 22 2.390 -4.585 -11.044 1.00 0.00 C ATOM 315 CD LYS A 22 2.999 -5.532 -12.073 1.00 0.00 C ATOM 316 CE LYS A 22 4.326 -6.097 -11.594 1.00 0.00 C ATOM 317 NZ LYS A 22 4.186 -6.858 -10.323 1.00 0.00 N ATOM 0 H LYS A 22 1.442 -5.887 -7.698 1.00 0.00 H new ATOM 0 HA LYS A 22 1.123 -3.352 -9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.610 -6.204 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.414 -5.381 -10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.997 -3.707 -11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.174 -4.237 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.305 -6.349 -12.272 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.146 -5.002 -13.014 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.740 -6.750 -12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.036 -5.282 -11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.083 -7.337 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.946 -6.204 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.431 -7.566 -10.424 1.00 0.00 H new ATOM 331 N PHE A 23 -1.419 -3.648 -9.562 1.00 0.00 N ATOM 332 CA PHE A 23 -2.881 -3.659 -9.467 1.00 0.00 C ATOM 333 C PHE A 23 -3.451 -4.478 -10.585 1.00 0.00 C ATOM 334 O PHE A 23 -3.177 -4.242 -11.762 1.00 0.00 O ATOM 335 CB PHE A 23 -3.471 -2.250 -9.480 1.00 0.00 C ATOM 336 CG PHE A 23 -3.306 -1.521 -8.182 1.00 0.00 C ATOM 337 CD1 PHE A 23 -2.045 -1.186 -7.718 1.00 0.00 C ATOM 338 CD2 PHE A 23 -4.412 -1.173 -7.422 1.00 0.00 C ATOM 339 CE1 PHE A 23 -1.887 -0.514 -6.521 1.00 0.00 C ATOM 340 CE2 PHE A 23 -4.261 -0.501 -6.224 1.00 0.00 C ATOM 341 CZ PHE A 23 -2.997 -0.170 -5.774 1.00 0.00 C ATOM 0 H PHE A 23 -1.042 -2.976 -10.230 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.151 -4.106 -8.510 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.997 -1.673 -10.274 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.532 -2.311 -9.721 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.174 -1.453 -8.299 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.402 -1.430 -7.770 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.898 -0.258 -6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.130 -0.235 -5.640 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.877 0.357 -4.839 1.00 0.00 H new ATOM 351 N VAL A 24 -4.193 -5.484 -10.193 1.00 0.00 N ATOM 352 CA VAL A 24 -4.752 -6.406 -11.130 1.00 0.00 C ATOM 353 C VAL A 24 -6.176 -6.848 -10.794 1.00 0.00 C ATOM 354 O VAL A 24 -6.518 -8.025 -10.906 1.00 0.00 O ATOM 355 CB VAL A 24 -3.825 -7.616 -11.203 1.00 0.00 C ATOM 356 CG1 VAL A 24 -2.433 -7.187 -11.660 1.00 0.00 C ATOM 357 CG2 VAL A 24 -3.776 -8.328 -9.857 1.00 0.00 C ATOM 0 H VAL A 24 -4.421 -5.680 -9.218 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.830 -5.899 -12.092 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.216 -8.321 -11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.781 -8.059 -11.708 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.499 -6.729 -12.647 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.024 -6.466 -10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.111 -9.189 -9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.405 -7.642 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.777 -8.663 -9.586 1.00 0.00 H new ATOM 367 N GLY A 25 -7.004 -5.878 -10.403 1.00 0.00 N ATOM 368 CA GLY A 25 -8.400 -6.137 -10.067 1.00 0.00 C ATOM 369 C GLY A 25 -9.166 -4.841 -9.955 1.00 0.00 C ATOM 370 O GLY A 25 -8.561 -3.775 -9.845 1.00 0.00 O ATOM 0 H GLY A 25 -6.727 -4.901 -10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.853 -6.769 -10.831 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.458 -6.683 -9.126 1.00 0.00 H new ATOM 374 N THR A 26 -10.496 -4.911 -9.987 1.00 0.00 N ATOM 375 CA THR A 26 -11.342 -3.722 -9.909 1.00 0.00 C ATOM 376 C THR A 26 -11.850 -3.480 -8.481 1.00 0.00 C ATOM 377 O THR A 26 -11.903 -4.407 -7.670 1.00 0.00 O ATOM 378 CB THR A 26 -12.530 -3.889 -10.861 1.00 0.00 C ATOM 379 OG1 THR A 26 -13.315 -2.710 -10.906 1.00 0.00 O ATOM 380 CG2 THR A 26 -13.441 -5.041 -10.483 1.00 0.00 C ATOM 0 H THR A 26 -11.014 -5.786 -10.067 1.00 0.00 H new ATOM 0 HA THR A 26 -10.745 -2.857 -10.198 1.00 0.00 H new ATOM 0 HB THR A 26 -12.090 -4.100 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.980 -2.121 -11.614 1.00 0.00 H new ATOM 0 HG21 THR A 26 -14.262 -5.105 -11.197 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.875 -5.972 -10.497 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.842 -4.875 -9.483 1.00 0.00 H new ATOM 388 N PRO A 27 -12.209 -2.221 -8.153 1.00 0.00 N ATOM 389 CA PRO A 27 -12.690 -1.844 -6.820 1.00 0.00 C ATOM 390 C PRO A 27 -14.197 -2.045 -6.598 1.00 0.00 C ATOM 391 O PRO A 27 -15.029 -1.573 -7.372 1.00 0.00 O ATOM 392 CB PRO A 27 -12.347 -0.364 -6.758 1.00 0.00 C ATOM 393 CG PRO A 27 -12.538 0.105 -8.159 1.00 0.00 C ATOM 394 CD PRO A 27 -12.142 -1.047 -9.049 1.00 0.00 C ATOM 0 HA PRO A 27 -12.235 -2.467 -6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.999 0.169 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.323 -0.205 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.574 0.393 -8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.924 0.982 -8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.820 -1.150 -9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.141 -0.912 -9.457 1.00 0.00 H new ATOM 402 N GLU A 28 -14.518 -2.732 -5.502 1.00 0.00 N ATOM 403 CA GLU A 28 -15.929 -2.978 -5.155 1.00 0.00 C ATOM 404 C GLU A 28 -16.473 -1.842 -4.290 1.00 0.00 C ATOM 405 O GLU A 28 -15.986 -1.610 -3.185 1.00 0.00 O ATOM 406 CB GLU A 28 -16.074 -4.304 -4.407 1.00 0.00 C ATOM 407 CG GLU A 28 -15.460 -4.276 -3.025 1.00 0.00 C ATOM 408 CD GLU A 28 -15.914 -5.424 -2.142 1.00 0.00 C ATOM 409 OE1 GLU A 28 -15.861 -6.585 -2.599 1.00 0.00 O ATOM 410 OE2 GLU A 28 -16.322 -5.159 -0.991 1.00 0.00 O ATOM 0 H GLU A 28 -13.841 -3.123 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.501 -3.027 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -17.132 -4.553 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.605 -5.096 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.374 -4.305 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.714 -3.333 -2.541 1.00 0.00 H new ATOM 417 N VAL A 29 -17.417 -1.068 -4.820 1.00 0.00 N ATOM 418 CA VAL A 29 -17.902 0.085 -4.063 1.00 0.00 C ATOM 419 C VAL A 29 -19.339 0.035 -3.537 1.00 0.00 C ATOM 420 O VAL A 29 -20.259 0.390 -4.267 1.00 0.00 O ATOM 421 CB VAL A 29 -17.772 1.390 -4.862 1.00 0.00 C ATOM 422 CG1 VAL A 29 -17.769 2.582 -3.918 1.00 0.00 C ATOM 423 CG2 VAL A 29 -16.529 1.381 -5.743 1.00 0.00 C ATOM 0 H VAL A 29 -17.848 -1.208 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.247 0.049 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.634 1.474 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.676 3.502 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.700 2.600 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.928 2.499 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.467 2.319 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.642 1.268 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.587 0.550 -6.446 1.00 0.00 H new ATOM 433 N ASN A 30 -19.551 -0.344 -2.281 1.00 0.00 N ATOM 434 CA ASN A 30 -20.921 -0.340 -1.766 1.00 0.00 C ATOM 435 C ASN A 30 -21.286 1.092 -1.393 1.00 0.00 C ATOM 436 O ASN A 30 -20.452 1.950 -1.096 1.00 0.00 O ATOM 437 CB ASN A 30 -21.120 -1.303 -0.596 1.00 0.00 C ATOM 438 CG ASN A 30 -22.528 -1.855 -0.542 1.00 0.00 C ATOM 439 OD1 ASN A 30 -23.345 -1.290 0.332 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -22.871 -2.786 -1.263 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.831 -0.645 -1.624 1.00 0.00 H new ATOM 0 HA ASN A 30 -21.591 -0.703 -2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.412 -2.127 -0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.898 -0.787 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -22.207 -3.191 -1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -23.820 -3.155 -1.203 1.00 0.00 H new ATOM 447 N GLN A 31 -22.604 1.242 -1.331 1.00 0.00 N ATOM 448 CA GLN A 31 -23.209 2.498 -0.895 1.00 0.00 C ATOM 449 C GLN A 31 -23.307 2.506 0.621 1.00 0.00 C ATOM 450 O GLN A 31 -23.751 3.485 1.218 1.00 0.00 O ATOM 451 CB GLN A 31 -24.580 2.684 -1.523 1.00 0.00 C ATOM 452 CG GLN A 31 -24.554 2.589 -3.033 1.00 0.00 C ATOM 453 CD GLN A 31 -23.927 3.809 -3.681 1.00 0.00 C ATOM 454 OE1 GLN A 31 -24.619 4.769 -4.019 1.00 0.00 O ATOM 455 NE2 GLN A 31 -22.609 3.779 -3.856 1.00 0.00 N ATOM 0 H GLN A 31 -23.274 0.513 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.582 3.329 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -25.260 1.929 -1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.979 3.656 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.999 1.699 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.572 2.467 -3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.074 2.962 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.133 4.573 -4.285 1.00 0.00 H new ATOM 464 N THR A 32 -23.036 1.378 1.233 1.00 0.00 N ATOM 465 CA THR A 32 -23.233 1.194 2.649 1.00 0.00 C ATOM 466 C THR A 32 -22.110 0.358 3.229 1.00 0.00 C ATOM 467 O THR A 32 -22.306 -0.482 4.105 1.00 0.00 O ATOM 468 CB THR A 32 -24.638 0.560 2.826 1.00 0.00 C ATOM 469 OG1 THR A 32 -25.615 1.569 3.029 1.00 0.00 O ATOM 470 CG2 THR A 32 -24.806 -0.459 3.942 1.00 0.00 C ATOM 0 H THR A 32 -22.669 0.554 0.756 1.00 0.00 H new ATOM 0 HA THR A 32 -23.202 2.135 3.198 1.00 0.00 H new ATOM 0 HB THR A 32 -24.768 0.011 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 32 -25.325 2.397 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 32 -25.834 -0.821 3.953 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.129 -1.296 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 32 -24.576 0.009 4.899 1.00 0.00 H new ATOM 478 N THR A 33 -20.913 0.638 2.763 1.00 0.00 N ATOM 479 CA THR A 33 -19.736 -0.028 3.254 1.00 0.00 C ATOM 480 C THR A 33 -18.981 0.963 4.065 1.00 0.00 C ATOM 481 O THR A 33 -18.348 0.582 5.046 1.00 0.00 O ATOM 482 CB THR A 33 -18.810 -0.503 2.133 1.00 0.00 C ATOM 483 OG1 THR A 33 -17.482 -0.228 2.455 1.00 0.00 O ATOM 484 CG2 THR A 33 -19.059 0.116 0.768 1.00 0.00 C ATOM 0 H THR A 33 -20.733 1.331 2.037 1.00 0.00 H new ATOM 0 HA THR A 33 -20.052 -0.905 3.820 1.00 0.00 H new ATOM 0 HB THR A 33 -19.024 -1.569 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.220 -0.753 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.348 -0.291 0.049 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.074 -0.114 0.444 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.934 1.197 0.830 1.00 0.00 H new ATOM 492 N LEU A 34 -18.823 2.175 3.553 1.00 0.00 N ATOM 493 CA LEU A 34 -17.903 3.091 4.190 1.00 0.00 C ATOM 494 C LEU A 34 -16.507 2.887 3.632 1.00 0.00 C ATOM 495 O LEU A 34 -15.628 3.728 3.799 1.00 0.00 O ATOM 496 CB LEU A 34 -17.907 3.018 5.710 1.00 0.00 C ATOM 497 CG LEU A 34 -18.709 4.100 6.404 1.00 0.00 C ATOM 498 CD1 LEU A 34 -18.249 4.209 7.853 1.00 0.00 C ATOM 499 CD2 LEU A 34 -18.514 5.441 5.683 1.00 0.00 C ATOM 0 H LEU A 34 -19.303 2.534 2.728 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.250 4.097 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.300 2.047 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.877 3.068 6.063 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.768 3.845 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.822 4.986 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.406 3.256 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.189 4.463 7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.094 6.213 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.458 5.712 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.851 5.351 4.650 1.00 0.00 H new ATOM 511 N TYR A 35 -16.345 1.736 2.999 1.00 0.00 N ATOM 512 CA TYR A 35 -15.087 1.300 2.364 1.00 0.00 C ATOM 513 C TYR A 35 -15.259 0.575 1.065 1.00 0.00 C ATOM 514 O TYR A 35 -16.360 0.482 0.541 1.00 0.00 O ATOM 515 CB TYR A 35 -14.127 0.567 3.275 1.00 0.00 C ATOM 516 CG TYR A 35 -14.663 -0.258 4.398 1.00 0.00 C ATOM 517 CD1 TYR A 35 -15.942 -0.783 4.448 1.00 0.00 C ATOM 518 CD2 TYR A 35 -13.816 -0.478 5.453 1.00 0.00 C ATOM 519 CE1 TYR A 35 -16.356 -1.515 5.542 1.00 0.00 C ATOM 520 CE2 TYR A 35 -14.207 -1.203 6.544 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.480 -1.723 6.592 1.00 0.00 C ATOM 522 OH TYR A 35 -15.876 -2.449 7.691 1.00 0.00 O ATOM 0 H TYR A 35 -17.097 1.054 2.904 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.615 2.254 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.519 -0.088 2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.455 1.309 3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.621 -0.619 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.817 -0.069 5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.356 -1.922 5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -13.522 -1.366 7.362 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.138 -2.499 8.333 1.00 0.00 H new ATOM 532 N GLN A 36 -14.140 0.159 0.484 1.00 0.00 N ATOM 533 CA GLN A 36 -14.126 -0.479 -0.805 1.00 0.00 C ATOM 534 C GLN A 36 -12.843 -1.308 -0.864 1.00 0.00 C ATOM 535 O GLN A 36 -11.921 -1.060 -0.084 1.00 0.00 O ATOM 536 CB GLN A 36 -14.077 0.605 -1.880 1.00 0.00 C ATOM 537 CG GLN A 36 -15.263 1.530 -1.899 1.00 0.00 C ATOM 538 CD GLN A 36 -14.921 2.909 -2.433 1.00 0.00 C ATOM 539 OE1 GLN A 36 -14.700 3.849 -1.676 1.00 0.00 O ATOM 540 NE2 GLN A 36 -14.881 3.031 -3.746 1.00 0.00 N ATOM 0 H GLN A 36 -13.217 0.261 0.905 1.00 0.00 H new ATOM 0 HA GLN A 36 -15.006 -1.103 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.174 1.198 -1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.992 0.126 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.050 1.092 -2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.661 1.624 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.071 2.223 -4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.660 3.933 -4.168 1.00 0.00 H new ATOM 549 N ARG A 37 -12.751 -2.264 -1.774 1.00 0.00 N ATOM 550 CA ARG A 37 -11.535 -3.068 -1.878 1.00 0.00 C ATOM 551 C ARG A 37 -11.021 -3.110 -3.316 1.00 0.00 C ATOM 552 O ARG A 37 -11.763 -2.882 -4.261 1.00 0.00 O ATOM 553 CB ARG A 37 -11.747 -4.483 -1.317 1.00 0.00 C ATOM 554 CG ARG A 37 -12.680 -5.348 -2.131 1.00 0.00 C ATOM 555 CD ARG A 37 -12.886 -6.712 -1.494 1.00 0.00 C ATOM 556 NE ARG A 37 -11.950 -7.701 -2.014 1.00 0.00 N ATOM 557 CZ ARG A 37 -12.019 -9.004 -1.741 1.00 0.00 C ATOM 558 NH1 ARG A 37 -12.970 -9.480 -0.957 1.00 0.00 N ATOM 559 NH2 ARG A 37 -11.133 -9.831 -2.258 1.00 0.00 N ATOM 0 H ARG A 37 -13.485 -2.503 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.770 -2.587 -1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.780 -4.981 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.139 -4.403 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.642 -4.847 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.276 -5.473 -3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.765 -6.630 -0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.907 -7.047 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.198 -7.377 -2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.662 -8.848 -0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.012 -10.479 -0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.396 -9.474 -2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.184 -10.828 -2.050 1.00 0.00 H new ATOM 573 N TYR A 38 -9.738 -3.418 -3.449 1.00 0.00 N ATOM 574 CA TYR A 38 -9.067 -3.515 -4.757 1.00 0.00 C ATOM 575 C TYR A 38 -8.247 -4.789 -4.808 1.00 0.00 C ATOM 576 O TYR A 38 -7.766 -5.250 -3.776 1.00 0.00 O ATOM 577 CB TYR A 38 -8.099 -2.341 -5.003 1.00 0.00 C ATOM 578 CG TYR A 38 -8.641 -1.205 -5.845 1.00 0.00 C ATOM 579 CD1 TYR A 38 -8.930 -1.379 -7.192 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.822 0.058 -5.295 1.00 0.00 C ATOM 581 CE1 TYR A 38 -9.388 -0.327 -7.962 1.00 0.00 C ATOM 582 CE2 TYR A 38 -9.285 1.110 -6.057 1.00 0.00 C ATOM 583 CZ TYR A 38 -9.566 0.915 -7.391 1.00 0.00 C ATOM 584 OH TYR A 38 -10.026 1.963 -8.155 1.00 0.00 O ATOM 0 H TYR A 38 -9.124 -3.610 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.848 -3.501 -5.517 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.793 -1.939 -4.037 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.202 -2.729 -5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.795 -2.350 -7.644 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.596 0.219 -4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.606 -0.478 -9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.427 2.083 -5.610 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.096 2.767 -7.599 1.00 0.00 H new ATOM 594 N GLU A 39 -8.054 -5.361 -5.991 1.00 0.00 N ATOM 595 CA GLU A 39 -7.262 -6.565 -6.148 1.00 0.00 C ATOM 596 C GLU A 39 -5.933 -6.174 -6.757 1.00 0.00 C ATOM 597 O GLU A 39 -5.898 -5.391 -7.708 1.00 0.00 O ATOM 598 CB GLU A 39 -7.977 -7.568 -7.051 1.00 0.00 C ATOM 599 CG GLU A 39 -7.428 -8.976 -6.968 1.00 0.00 C ATOM 600 CD GLU A 39 -7.893 -9.856 -8.112 1.00 0.00 C ATOM 601 OE1 GLU A 39 -9.067 -10.283 -8.094 1.00 0.00 O ATOM 602 OE2 GLU A 39 -7.080 -10.124 -9.020 1.00 0.00 O ATOM 0 H GLU A 39 -8.443 -5.001 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.113 -7.039 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.035 -7.586 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.910 -7.224 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.339 -8.937 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.733 -9.425 -6.023 1.00 0.00 H new ATOM 609 N ILE A 40 -4.838 -6.673 -6.209 1.00 0.00 N ATOM 610 CA ILE A 40 -3.541 -6.288 -6.733 1.00 0.00 C ATOM 611 C ILE A 40 -2.532 -7.411 -6.808 1.00 0.00 C ATOM 612 O ILE A 40 -2.454 -8.267 -5.927 1.00 0.00 O ATOM 613 CB ILE A 40 -2.908 -5.171 -5.889 1.00 0.00 C ATOM 614 CG1 ILE A 40 -2.939 -5.529 -4.408 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.604 -3.851 -6.141 1.00 0.00 C ATOM 616 CD1 ILE A 40 -1.663 -5.173 -3.676 1.00 0.00 C ATOM 0 H ILE A 40 -4.819 -7.326 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.760 -5.956 -7.748 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.865 -5.066 -6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.776 -5.015 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.122 -6.598 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.141 -3.074 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.516 -3.589 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.658 -3.939 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.754 -5.455 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.825 -5.708 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.489 -4.099 -3.749 1.00 0.00 H new ATOM 628 N LYS A 41 -1.788 -7.411 -7.909 1.00 0.00 N ATOM 629 CA LYS A 41 -0.799 -8.433 -8.144 1.00 0.00 C ATOM 630 C LYS A 41 0.366 -8.188 -7.223 1.00 0.00 C ATOM 631 O LYS A 41 1.356 -7.551 -7.587 1.00 0.00 O ATOM 632 CB LYS A 41 -0.315 -8.374 -9.594 1.00 0.00 C ATOM 633 CG LYS A 41 0.354 -9.635 -10.108 1.00 0.00 C ATOM 634 CD LYS A 41 -0.664 -10.622 -10.665 1.00 0.00 C ATOM 635 CE LYS A 41 -0.699 -11.898 -9.841 1.00 0.00 C ATOM 636 NZ LYS A 41 -1.477 -11.728 -8.584 1.00 0.00 N ATOM 0 H LYS A 41 -1.858 -6.711 -8.647 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.235 -9.415 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.167 -8.148 -10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.386 -7.545 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.073 -9.375 -10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.914 -10.106 -9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.653 -10.163 -10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.415 -10.860 -11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.138 -12.700 -10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.320 -12.201 -9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.866 -12.646 -8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.854 -11.361 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.256 -11.058 -8.746 1.00 0.00 H new ATOM 650 N MET A 42 0.201 -8.681 -5.999 1.00 0.00 N ATOM 651 CA MET A 42 1.175 -8.546 -4.926 1.00 0.00 C ATOM 652 C MET A 42 2.527 -9.121 -5.291 1.00 0.00 C ATOM 653 O MET A 42 2.652 -10.314 -5.558 1.00 0.00 O ATOM 654 CB MET A 42 0.584 -9.218 -3.683 1.00 0.00 C ATOM 655 CG MET A 42 1.579 -9.679 -2.632 1.00 0.00 C ATOM 656 SD MET A 42 1.727 -11.478 -2.613 1.00 0.00 S ATOM 657 CE MET A 42 3.481 -11.691 -2.879 1.00 0.00 C ATOM 0 H MET A 42 -0.634 -9.197 -5.722 1.00 0.00 H new ATOM 0 HA MET A 42 1.363 -7.490 -4.733 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.111 -8.521 -3.214 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.001 -10.081 -4.005 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.554 -9.234 -2.831 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.263 -9.328 -1.650 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.842 -12.524 -2.275 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.667 -11.900 -3.933 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.006 -10.780 -2.592 1.00 0.00 H new ATOM 667 N THR A 43 3.560 -8.274 -5.297 1.00 0.00 N ATOM 668 CA THR A 43 4.888 -8.723 -5.633 1.00 0.00 C ATOM 669 C THR A 43 5.609 -9.309 -4.412 1.00 0.00 C ATOM 670 O THR A 43 5.838 -10.515 -4.352 1.00 0.00 O ATOM 671 CB THR A 43 5.705 -7.574 -6.216 1.00 0.00 C ATOM 672 OG1 THR A 43 4.877 -6.632 -6.869 1.00 0.00 O ATOM 673 CG2 THR A 43 6.754 -8.015 -7.212 1.00 0.00 C ATOM 0 H THR A 43 3.490 -7.281 -5.072 1.00 0.00 H new ATOM 0 HA THR A 43 4.791 -9.511 -6.380 1.00 0.00 H new ATOM 0 HB THR A 43 6.204 -7.132 -5.354 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.315 -6.325 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.293 -7.143 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.454 -8.695 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.272 -8.525 -8.046 1.00 0.00 H new ATOM 681 N LYS A 44 5.950 -8.458 -3.425 1.00 0.00 N ATOM 682 CA LYS A 44 6.622 -8.888 -2.191 1.00 0.00 C ATOM 683 C LYS A 44 6.262 -7.942 -1.028 1.00 0.00 C ATOM 684 O LYS A 44 5.988 -6.764 -1.247 1.00 0.00 O ATOM 685 CB LYS A 44 8.140 -8.898 -2.396 1.00 0.00 C ATOM 686 CG LYS A 44 8.849 -10.038 -1.683 1.00 0.00 C ATOM 687 CD LYS A 44 9.158 -11.185 -2.634 1.00 0.00 C ATOM 688 CE LYS A 44 8.826 -12.530 -2.008 1.00 0.00 C ATOM 689 NZ LYS A 44 7.360 -12.705 -1.811 1.00 0.00 N ATOM 0 H LYS A 44 5.766 -7.455 -3.464 1.00 0.00 H new ATOM 0 HA LYS A 44 6.286 -9.895 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.352 -8.962 -3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.551 -7.951 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.775 -9.672 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.226 -10.400 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.588 -11.060 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.213 -11.159 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.205 -13.330 -2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.334 -12.619 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.154 -13.704 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.045 -12.118 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.857 -12.415 -2.674 1.00 0.00 H new ATOM 703 N MET A 45 6.249 -8.464 0.202 1.00 0.00 N ATOM 704 CA MET A 45 5.906 -7.667 1.394 1.00 0.00 C ATOM 705 C MET A 45 7.159 -7.139 2.085 1.00 0.00 C ATOM 706 O MET A 45 8.087 -7.903 2.339 1.00 0.00 O ATOM 707 CB MET A 45 5.108 -8.524 2.382 1.00 0.00 C ATOM 708 CG MET A 45 5.827 -9.799 2.807 1.00 0.00 C ATOM 709 SD MET A 45 5.650 -11.145 1.617 1.00 0.00 S ATOM 710 CE MET A 45 7.276 -11.891 1.705 1.00 0.00 C ATOM 0 H MET A 45 6.472 -9.439 0.404 1.00 0.00 H new ATOM 0 HA MET A 45 5.305 -6.818 1.068 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.887 -7.930 3.268 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.153 -8.790 1.930 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.886 -9.582 2.946 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.439 -10.123 3.773 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.324 -12.740 1.023 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.029 -11.156 1.422 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.465 -12.232 2.723 1.00 0.00 H new ATOM 720 N TYR A 46 7.206 -5.838 2.415 1.00 0.00 N ATOM 721 CA TYR A 46 8.356 -5.235 3.082 1.00 0.00 C ATOM 722 C TYR A 46 7.999 -4.740 4.492 1.00 0.00 C ATOM 723 O TYR A 46 8.695 -3.884 5.038 1.00 0.00 O ATOM 724 CB TYR A 46 8.866 -4.029 2.282 1.00 0.00 C ATOM 725 CG TYR A 46 9.173 -4.299 0.821 1.00 0.00 C ATOM 726 CD1 TYR A 46 8.216 -4.840 -0.024 1.00 0.00 C ATOM 727 CD2 TYR A 46 10.422 -3.994 0.283 1.00 0.00 C ATOM 728 CE1 TYR A 46 8.488 -5.072 -1.354 1.00 0.00 C ATOM 729 CE2 TYR A 46 10.700 -4.225 -1.050 1.00 0.00 C ATOM 730 CZ TYR A 46 9.732 -4.763 -1.865 1.00 0.00 C ATOM 731 OH TYR A 46 10.008 -4.990 -3.197 1.00 0.00 O ATOM 0 H TYR A 46 6.448 -5.183 2.225 1.00 0.00 H new ATOM 0 HA TYR A 46 9.121 -6.008 3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.120 -3.236 2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.769 -3.652 2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.240 -5.084 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.185 -3.570 0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.729 -5.495 -1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.674 -3.984 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 46 10.928 -4.716 -3.392 1.00 0.00 H new ATOM 741 N LYS A 47 6.934 -5.276 5.092 1.00 0.00 N ATOM 742 CA LYS A 47 6.487 -4.894 6.439 1.00 0.00 C ATOM 743 C LYS A 47 5.207 -5.636 6.776 1.00 0.00 C ATOM 744 O LYS A 47 4.171 -5.408 6.150 1.00 0.00 O ATOM 745 CB LYS A 47 6.204 -3.395 6.543 1.00 0.00 C ATOM 746 CG LYS A 47 5.814 -2.955 7.950 1.00 0.00 C ATOM 747 CD LYS A 47 7.029 -2.601 8.790 1.00 0.00 C ATOM 748 CE LYS A 47 6.623 -2.120 10.174 1.00 0.00 C ATOM 749 NZ LYS A 47 6.722 -3.202 11.194 1.00 0.00 N ATOM 0 H LYS A 47 6.352 -5.992 4.657 1.00 0.00 H new ATOM 0 HA LYS A 47 7.288 -5.150 7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.089 -2.842 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.402 -3.134 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.150 -2.092 7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.255 -3.753 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.677 -3.473 8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.607 -1.825 8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.259 -1.285 10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.600 -1.745 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.436 -2.831 12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.096 -3.988 10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.703 -3.543 11.245 1.00 0.00 H new ATOM 763 N GLY A 48 5.278 -6.564 7.713 1.00 0.00 N ATOM 764 CA GLY A 48 4.137 -7.376 8.090 1.00 0.00 C ATOM 765 C GLY A 48 4.554 -8.798 8.420 1.00 0.00 C ATOM 766 O GLY A 48 3.728 -9.615 8.816 1.00 0.00 O ATOM 0 H GLY A 48 6.129 -6.775 8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.641 -6.931 8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.412 -7.387 7.276 1.00 0.00 H new ATOM 770 N PHE A 49 5.852 -9.092 8.269 1.00 0.00 N ATOM 771 CA PHE A 49 6.389 -10.410 8.552 1.00 0.00 C ATOM 772 C PHE A 49 5.851 -10.965 9.857 1.00 0.00 C ATOM 773 O PHE A 49 5.373 -12.098 9.896 1.00 0.00 O ATOM 774 CB PHE A 49 7.910 -10.366 8.598 1.00 0.00 C ATOM 775 CG PHE A 49 8.568 -10.245 7.249 1.00 0.00 C ATOM 776 CD1 PHE A 49 8.299 -9.166 6.420 1.00 0.00 C ATOM 777 CD2 PHE A 49 9.465 -11.209 6.814 1.00 0.00 C ATOM 778 CE1 PHE A 49 8.907 -9.051 5.187 1.00 0.00 C ATOM 779 CE2 PHE A 49 10.077 -11.097 5.580 1.00 0.00 C ATOM 780 CZ PHE A 49 9.797 -10.017 4.765 1.00 0.00 C ATOM 0 H PHE A 49 6.549 -8.420 7.948 1.00 0.00 H new ATOM 0 HA PHE A 49 6.071 -11.072 7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.219 -9.523 9.217 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.273 -11.270 9.087 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.604 -8.405 6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.688 -12.056 7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.686 -8.205 4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.774 -11.854 5.253 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.274 -9.929 3.800 1.00 0.00 H new ATOM 790 N GLN A 50 5.947 -10.199 10.947 1.00 0.00 N ATOM 791 CA GLN A 50 5.481 -10.672 12.238 1.00 0.00 C ATOM 792 C GLN A 50 3.983 -10.925 12.217 1.00 0.00 C ATOM 793 O GLN A 50 3.489 -11.818 12.905 1.00 0.00 O ATOM 794 CB GLN A 50 5.856 -9.682 13.339 1.00 0.00 C ATOM 795 CG GLN A 50 6.604 -10.336 14.485 1.00 0.00 C ATOM 796 CD GLN A 50 7.097 -9.343 15.516 1.00 0.00 C ATOM 797 OE1 GLN A 50 8.277 -8.993 15.545 1.00 0.00 O ATOM 798 NE2 GLN A 50 6.194 -8.884 16.374 1.00 0.00 N ATOM 0 H GLN A 50 6.341 -9.258 10.955 1.00 0.00 H new ATOM 0 HA GLN A 50 5.974 -11.620 12.452 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.472 -8.889 12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.951 -9.212 13.723 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.951 -11.061 14.971 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.454 -10.890 14.087 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.226 -9.201 16.314 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.468 -8.214 17.093 1.00 0.00 H new ATOM 807 N ALA A 51 3.265 -10.179 11.385 1.00 0.00 N ATOM 808 CA ALA A 51 1.833 -10.403 11.250 1.00 0.00 C ATOM 809 C ALA A 51 1.690 -11.516 10.229 1.00 0.00 C ATOM 810 O ALA A 51 0.978 -12.490 10.470 1.00 0.00 O ATOM 811 CB ALA A 51 1.157 -9.133 10.756 1.00 0.00 C ATOM 0 H ALA A 51 3.642 -9.429 10.805 1.00 0.00 H new ATOM 0 HA ALA A 51 1.367 -10.670 12.198 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.085 -9.306 10.657 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.330 -8.328 11.470 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.571 -8.854 9.787 1.00 0.00 H new ATOM 817 N LEU A 52 2.287 -11.341 9.070 1.00 0.00 N ATOM 818 CA LEU A 52 2.127 -12.307 8.002 1.00 0.00 C ATOM 819 C LEU A 52 3.277 -12.259 7.012 1.00 0.00 C ATOM 820 O LEU A 52 3.165 -11.661 5.942 1.00 0.00 O ATOM 821 CB LEU A 52 0.799 -12.020 7.303 1.00 0.00 C ATOM 822 CG LEU A 52 0.338 -10.558 7.404 1.00 0.00 C ATOM 823 CD1 LEU A 52 1.117 -9.690 6.435 1.00 0.00 C ATOM 824 CD2 LEU A 52 -1.164 -10.425 7.175 1.00 0.00 C ATOM 0 H LEU A 52 2.884 -10.545 8.843 1.00 0.00 H new ATOM 0 HA LEU A 52 2.128 -13.312 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.890 -12.289 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.029 -12.662 7.731 1.00 0.00 H new ATOM 0 HG LEU A 52 0.541 -10.212 8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.779 -8.657 6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.180 -9.744 6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.953 -10.044 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.453 -9.377 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.415 -10.796 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.699 -11.007 7.926 1.00 0.00 H new ATOM 836 N GLY A 53 4.378 -12.898 7.369 1.00 0.00 N ATOM 837 CA GLY A 53 5.528 -12.925 6.492 1.00 0.00 C ATOM 838 C GLY A 53 5.796 -14.302 5.942 1.00 0.00 C ATOM 839 O GLY A 53 6.945 -14.729 5.832 1.00 0.00 O ATOM 0 H GLY A 53 4.497 -13.398 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.369 -12.231 5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.406 -12.577 7.037 1.00 0.00 H new ATOM 843 N ASP A 54 4.721 -14.994 5.594 1.00 0.00 N ATOM 844 CA ASP A 54 4.817 -16.334 5.041 1.00 0.00 C ATOM 845 C ASP A 54 4.085 -16.403 3.708 1.00 0.00 C ATOM 846 O ASP A 54 4.696 -16.622 2.663 1.00 0.00 O ATOM 847 CB ASP A 54 4.241 -17.365 6.021 1.00 0.00 C ATOM 848 CG ASP A 54 2.872 -16.975 6.545 1.00 0.00 C ATOM 849 OD1 ASP A 54 2.808 -16.182 7.509 1.00 0.00 O ATOM 850 OD2 ASP A 54 1.864 -17.458 5.987 1.00 0.00 O ATOM 0 H ASP A 54 3.767 -14.645 5.686 1.00 0.00 H new ATOM 0 HA ASP A 54 5.869 -16.568 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.173 -18.333 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.926 -17.484 6.860 1.00 0.00 H new ATOM 855 N ALA A 55 2.773 -16.213 3.756 1.00 0.00 N ATOM 856 CA ALA A 55 1.950 -16.256 2.558 1.00 0.00 C ATOM 857 C ALA A 55 0.802 -15.241 2.605 1.00 0.00 C ATOM 858 O ALA A 55 0.151 -14.988 1.589 1.00 0.00 O ATOM 859 CB ALA A 55 1.404 -17.661 2.377 1.00 0.00 C ATOM 0 H ALA A 55 2.256 -16.027 4.615 1.00 0.00 H new ATOM 0 HA ALA A 55 2.577 -15.986 1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.786 -17.698 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.232 -18.363 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.802 -17.932 3.244 1.00 0.00 H new ATOM 865 N ALA A 56 0.549 -14.664 3.780 1.00 0.00 N ATOM 866 CA ALA A 56 -0.522 -13.688 3.940 1.00 0.00 C ATOM 867 C ALA A 56 0.006 -12.296 3.993 1.00 0.00 C ATOM 868 O ALA A 56 -0.360 -11.505 4.859 1.00 0.00 O ATOM 869 CB ALA A 56 -1.368 -14.005 5.163 1.00 0.00 C ATOM 0 H ALA A 56 1.073 -14.858 4.633 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.163 -13.756 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.160 -13.262 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.811 -14.995 5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.741 -13.985 6.054 1.00 0.00 H new ATOM 875 N ASP A 57 0.798 -11.965 2.995 1.00 0.00 N ATOM 876 CA ASP A 57 1.264 -10.629 2.887 1.00 0.00 C ATOM 877 C ASP A 57 0.048 -9.850 2.419 1.00 0.00 C ATOM 878 O ASP A 57 -0.973 -9.938 3.097 1.00 0.00 O ATOM 879 CB ASP A 57 2.489 -10.524 1.991 1.00 0.00 C ATOM 880 CG ASP A 57 2.242 -10.901 0.549 1.00 0.00 C ATOM 881 OD1 ASP A 57 1.247 -11.601 0.279 1.00 0.00 O ATOM 882 OD2 ASP A 57 3.050 -10.493 -0.311 1.00 0.00 O ATOM 0 H ASP A 57 1.120 -12.602 2.266 1.00 0.00 H new ATOM 0 HA ASP A 57 1.635 -10.218 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.864 -9.501 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.274 -11.166 2.392 1.00 0.00 H new ATOM 887 N ILE A 58 0.063 -9.112 1.315 1.00 0.00 N ATOM 888 CA ILE A 58 -1.169 -8.404 0.960 1.00 0.00 C ATOM 889 C ILE A 58 -1.465 -8.309 -0.519 1.00 0.00 C ATOM 890 O ILE A 58 -0.615 -7.938 -1.323 1.00 0.00 O ATOM 891 CB ILE A 58 -1.192 -7.052 1.635 1.00 0.00 C ATOM 892 CG1 ILE A 58 -1.227 -7.325 3.121 1.00 0.00 C ATOM 893 CG2 ILE A 58 -2.392 -6.222 1.205 1.00 0.00 C ATOM 894 CD1 ILE A 58 0.149 -7.400 3.757 1.00 0.00 C ATOM 0 H ILE A 58 0.855 -8.989 0.685 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.987 -9.019 1.336 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.315 -6.469 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.803 -6.541 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.751 -8.264 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.369 -5.258 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.358 -6.064 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.310 -6.748 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.046 -7.598 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.721 -8.203 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.669 -6.453 3.612 1.00 0.00 H new ATOM 906 N ARG A 59 -2.664 -8.786 -0.861 1.00 0.00 N ATOM 907 CA ARG A 59 -3.092 -8.895 -2.237 1.00 0.00 C ATOM 908 C ARG A 59 -4.293 -8.030 -2.653 1.00 0.00 C ATOM 909 O ARG A 59 -4.536 -7.752 -3.829 1.00 0.00 O ATOM 910 CB ARG A 59 -3.460 -10.360 -2.471 1.00 0.00 C ATOM 911 CG ARG A 59 -2.266 -11.289 -2.456 1.00 0.00 C ATOM 912 CD ARG A 59 -2.676 -12.732 -2.717 1.00 0.00 C ATOM 913 NE ARG A 59 -2.707 -13.052 -4.144 1.00 0.00 N ATOM 914 CZ ARG A 59 -3.828 -13.191 -4.855 1.00 0.00 C ATOM 915 NH1 ARG A 59 -5.013 -13.018 -4.286 1.00 0.00 N ATOM 916 NH2 ARG A 59 -3.759 -13.502 -6.143 1.00 0.00 N ATOM 0 H ARG A 59 -3.357 -9.105 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.262 -8.529 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.167 -10.676 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.969 -10.450 -3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.548 -10.972 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.764 -11.222 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.980 -13.402 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.661 -12.911 -2.285 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.817 -13.177 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.073 -12.777 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.864 -13.126 -4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.851 -13.634 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.614 -13.609 -6.688 1.00 0.00 H new ATOM 930 N PHE A 60 -5.025 -7.619 -1.595 1.00 0.00 N ATOM 931 CA PHE A 60 -6.206 -6.768 -1.700 1.00 0.00 C ATOM 932 C PHE A 60 -6.118 -5.656 -0.679 1.00 0.00 C ATOM 933 O PHE A 60 -5.626 -5.835 0.438 1.00 0.00 O ATOM 934 CB PHE A 60 -7.484 -7.561 -1.467 1.00 0.00 C ATOM 935 CG PHE A 60 -7.721 -8.652 -2.458 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.033 -9.850 -2.368 1.00 0.00 C ATOM 937 CD2 PHE A 60 -8.647 -8.488 -3.469 1.00 0.00 C ATOM 938 CE1 PHE A 60 -7.265 -10.865 -3.274 1.00 0.00 C ATOM 939 CE2 PHE A 60 -8.887 -9.501 -4.376 1.00 0.00 C ATOM 940 CZ PHE A 60 -8.193 -10.692 -4.277 1.00 0.00 C ATOM 0 H PHE A 60 -4.800 -7.879 -0.635 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.237 -6.355 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.451 -7.995 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.332 -6.876 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.307 -9.992 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.189 -7.558 -3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.719 -11.794 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.616 -9.363 -5.161 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.378 -11.486 -4.985 1.00 0.00 H new ATOM 950 N VAL A 61 -6.508 -4.491 -1.141 1.00 0.00 N ATOM 951 CA VAL A 61 -6.410 -3.275 -0.361 1.00 0.00 C ATOM 952 C VAL A 61 -7.772 -2.687 0.048 1.00 0.00 C ATOM 953 O VAL A 61 -8.656 -2.507 -0.783 1.00 0.00 O ATOM 954 CB VAL A 61 -5.645 -2.226 -1.181 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.552 -2.858 -2.025 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.555 -1.362 -2.037 1.00 0.00 C ATOM 0 H VAL A 61 -6.904 -4.357 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.890 -3.533 0.562 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.175 -1.566 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.034 -2.083 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.841 -3.370 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.995 -3.576 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.955 -0.641 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.103 -1.993 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.260 -0.831 -1.397 1.00 0.00 H new ATOM 966 N TYR A 62 -7.942 -2.453 1.343 1.00 0.00 N ATOM 967 CA TYR A 62 -9.209 -1.950 1.855 1.00 0.00 C ATOM 968 C TYR A 62 -9.181 -0.483 2.318 1.00 0.00 C ATOM 969 O TYR A 62 -8.597 -0.149 3.347 1.00 0.00 O ATOM 970 CB TYR A 62 -9.698 -2.860 2.975 1.00 0.00 C ATOM 971 CG TYR A 62 -9.867 -4.297 2.537 1.00 0.00 C ATOM 972 CD1 TYR A 62 -8.792 -5.034 2.036 1.00 0.00 C ATOM 973 CD2 TYR A 62 -11.102 -4.920 2.620 1.00 0.00 C ATOM 974 CE1 TYR A 62 -8.951 -6.342 1.636 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.269 -6.231 2.220 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.191 -6.938 1.728 1.00 0.00 C ATOM 977 OH TYR A 62 -10.357 -8.243 1.321 1.00 0.00 O ATOM 0 H TYR A 62 -7.225 -2.602 2.053 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.905 -1.963 1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.991 -2.819 3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.651 -2.486 3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -7.819 -4.570 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.949 -4.371 3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.109 -6.898 1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.239 -6.701 2.292 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.290 -8.511 1.453 1.00 0.00 H new ATOM 987 N THR A 63 -9.838 0.363 1.523 1.00 0.00 N ATOM 988 CA THR A 63 -9.966 1.809 1.760 1.00 0.00 C ATOM 989 C THR A 63 -11.407 2.154 2.103 1.00 0.00 C ATOM 990 O THR A 63 -12.330 1.576 1.533 1.00 0.00 O ATOM 991 CB THR A 63 -9.607 2.624 0.493 1.00 0.00 C ATOM 992 OG1 THR A 63 -10.575 3.635 0.275 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.575 1.827 -0.797 1.00 0.00 C ATOM 0 H THR A 63 -10.310 0.057 0.672 1.00 0.00 H new ATOM 0 HA THR A 63 -9.286 2.058 2.575 1.00 0.00 H new ATOM 0 HB THR A 63 -8.606 3.002 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.648 3.817 -0.685 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.314 2.486 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.832 1.034 -0.716 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.556 1.388 -0.978 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.632 3.141 2.986 1.00 0.00 N ATOM 1002 CA PRO A 64 -12.982 3.578 3.310 1.00 0.00 C ATOM 1003 C PRO A 64 -13.629 4.228 2.086 1.00 0.00 C ATOM 1004 O PRO A 64 -12.941 4.794 1.243 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.806 4.596 4.430 1.00 0.00 C ATOM 1006 CG PRO A 64 -11.385 4.472 4.868 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.623 3.939 3.687 1.00 0.00 C ATOM 0 HA PRO A 64 -13.628 2.752 3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.021 5.605 4.079 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.489 4.393 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.989 5.438 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.299 3.800 5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.234 4.742 3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.770 3.334 3.995 1.00 0.00 H new ATOM 1015 N ALA A 65 -14.937 4.099 1.975 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.690 4.621 0.858 1.00 0.00 C ATOM 1017 C ALA A 65 -16.508 5.843 1.243 1.00 0.00 C ATOM 1018 O ALA A 65 -17.495 6.164 0.582 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.605 3.542 0.298 1.00 0.00 C ATOM 0 H ALA A 65 -15.512 3.622 2.669 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.974 4.930 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.169 3.944 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.006 2.695 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.296 3.213 1.074 1.00 0.00 H new ATOM 1025 N MET A 66 -16.107 6.520 2.314 1.00 0.00 N ATOM 1026 CA MET A 66 -16.837 7.704 2.777 1.00 0.00 C ATOM 1027 C MET A 66 -16.785 8.827 1.742 1.00 0.00 C ATOM 1028 O MET A 66 -16.060 8.743 0.751 1.00 0.00 O ATOM 1029 CB MET A 66 -16.314 8.222 4.129 1.00 0.00 C ATOM 1030 CG MET A 66 -15.533 7.205 4.958 1.00 0.00 C ATOM 1031 SD MET A 66 -16.007 7.186 6.699 1.00 0.00 S ATOM 1032 CE MET A 66 -16.117 8.934 7.062 1.00 0.00 C ATOM 0 H MET A 66 -15.291 6.276 2.875 1.00 0.00 H new ATOM 0 HA MET A 66 -17.872 7.391 2.913 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.674 9.085 3.946 1.00 0.00 H new ATOM 0 HB3 MET A 66 -17.162 8.572 4.718 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.684 6.211 4.537 1.00 0.00 H new ATOM 0 HG3 MET A 66 -14.468 7.425 4.881 1.00 0.00 H new ATOM 0 HE1 MET A 66 -15.923 9.098 8.122 1.00 0.00 H new ATOM 0 HE2 MET A 66 -15.379 9.476 6.470 1.00 0.00 H new ATOM 0 HE3 MET A 66 -17.116 9.295 6.816 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.577 9.872 1.975 1.00 0.00 N ATOM 1043 CA GLU A 67 -17.643 11.016 1.068 1.00 0.00 C ATOM 1044 C GLU A 67 -16.262 11.630 0.830 1.00 0.00 C ATOM 1045 O GLU A 67 -15.700 11.506 -0.258 1.00 0.00 O ATOM 1046 CB GLU A 67 -18.595 12.077 1.629 1.00 0.00 C ATOM 1047 CG GLU A 67 -19.363 12.838 0.558 1.00 0.00 C ATOM 1048 CD GLU A 67 -20.256 13.916 1.139 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -19.720 14.887 1.714 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -21.493 13.792 1.017 1.00 0.00 O ATOM 0 H GLU A 67 -18.186 9.950 2.790 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.019 10.657 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.306 11.596 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.023 12.787 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.657 13.292 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.970 12.138 -0.016 1.00 0.00 H new ATOM 1057 N SER A 68 -15.724 12.297 1.848 1.00 0.00 N ATOM 1058 CA SER A 68 -14.414 12.934 1.741 1.00 0.00 C ATOM 1059 C SER A 68 -13.383 12.204 2.600 1.00 0.00 C ATOM 1060 O SER A 68 -12.718 12.808 3.441 1.00 0.00 O ATOM 1061 CB SER A 68 -14.508 14.404 2.160 1.00 0.00 C ATOM 1062 OG SER A 68 -15.134 14.536 3.425 1.00 0.00 O ATOM 0 H SER A 68 -16.175 12.410 2.756 1.00 0.00 H new ATOM 0 HA SER A 68 -14.090 12.882 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.509 14.839 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.071 14.963 1.412 1.00 0.00 H new ATOM 0 HG SER A 68 -15.180 15.484 3.670 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.271 10.897 2.385 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.338 10.061 3.138 1.00 0.00 C ATOM 1070 C VAL A 69 -11.030 9.839 2.385 1.00 0.00 C ATOM 1071 O VAL A 69 -10.953 10.064 1.177 1.00 0.00 O ATOM 1072 CB VAL A 69 -12.972 8.695 3.457 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -13.283 7.928 2.178 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.077 7.875 4.372 1.00 0.00 C ATOM 0 H VAL A 69 -13.819 10.389 1.690 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.116 10.593 4.063 1.00 0.00 H new ATOM 0 HB VAL A 69 -13.910 8.878 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.730 6.966 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.980 8.504 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.362 7.764 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.551 6.916 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.116 7.707 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.922 8.413 5.307 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.006 9.374 3.105 1.00 0.00 N ATOM 1085 CA CYS A 70 -8.716 9.101 2.497 1.00 0.00 C ATOM 1086 C CYS A 70 -8.644 7.647 2.097 1.00 0.00 C ATOM 1087 O CYS A 70 -7.876 6.850 2.627 1.00 0.00 O ATOM 1088 CB CYS A 70 -7.563 9.472 3.425 1.00 0.00 C ATOM 1089 SG CYS A 70 -7.805 11.033 4.347 1.00 0.00 S ATOM 0 H CYS A 70 -10.052 9.182 4.106 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.617 9.722 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.413 8.662 4.139 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.649 9.551 2.836 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.509 7.346 1.160 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.616 6.024 0.642 1.00 0.00 C ATOM 1096 C GLY A 71 -8.413 5.675 -0.186 1.00 0.00 C ATOM 1097 O GLY A 71 -7.301 5.552 0.325 1.00 0.00 O ATOM 0 H GLY A 71 -10.154 8.017 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.716 5.314 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.518 5.938 0.035 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.635 5.542 -1.471 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.557 5.265 -2.398 1.00 0.00 C ATOM 1103 C TYR A 72 -8.001 5.433 -3.845 1.00 0.00 C ATOM 1104 O TYR A 72 -8.324 4.448 -4.504 1.00 0.00 O ATOM 1105 CB TYR A 72 -7.054 3.840 -2.166 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.693 3.566 -2.753 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -4.536 3.867 -2.048 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -5.566 2.998 -4.014 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -3.289 3.613 -2.582 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -4.323 2.741 -4.555 1.00 0.00 C ATOM 1111 CZ TYR A 72 -3.187 3.049 -3.836 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.947 2.796 -4.374 1.00 0.00 O ATOM 0 H TYR A 72 -9.556 5.621 -1.903 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.755 5.981 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.021 3.648 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.771 3.139 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.613 4.307 -1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.453 2.754 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.398 3.855 -2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.240 2.300 -5.538 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.992 1.994 -4.936 1.00 0.00 H new ATOM 1122 N PHE A 73 -8.010 6.658 -4.348 1.00 0.00 N ATOM 1123 CA PHE A 73 -8.420 6.875 -5.725 1.00 0.00 C ATOM 1124 C PHE A 73 -7.344 6.308 -6.645 1.00 0.00 C ATOM 1125 O PHE A 73 -6.280 6.896 -6.829 1.00 0.00 O ATOM 1126 CB PHE A 73 -8.673 8.360 -5.995 1.00 0.00 C ATOM 1127 CG PHE A 73 -10.121 8.753 -5.857 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -10.995 8.624 -6.926 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -10.609 9.252 -4.657 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -12.325 8.984 -6.802 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -11.938 9.614 -4.528 1.00 0.00 C ATOM 1132 CZ PHE A 73 -12.796 9.480 -5.601 1.00 0.00 C ATOM 0 H PHE A 73 -7.744 7.499 -3.836 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.362 6.361 -5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.075 8.955 -5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.332 8.602 -7.002 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.633 8.238 -7.867 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.943 9.359 -3.814 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.995 8.878 -7.643 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.304 10.001 -3.589 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.834 9.762 -5.502 1.00 0.00 H new ATOM 1142 N HIS A 74 -7.637 5.134 -7.186 1.00 0.00 N ATOM 1143 CA HIS A 74 -6.646 4.471 -8.032 1.00 0.00 C ATOM 1144 C HIS A 74 -6.951 4.592 -9.514 1.00 0.00 C ATOM 1145 O HIS A 74 -7.988 4.137 -10.002 1.00 0.00 O ATOM 1146 CB HIS A 74 -6.456 3.020 -7.583 1.00 0.00 C ATOM 1147 CG HIS A 74 -5.866 2.106 -8.619 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -6.549 1.035 -9.153 1.00 0.00 N ATOM 1149 CD2 HIS A 74 -4.642 2.092 -9.196 1.00 0.00 C ATOM 1150 CE1 HIS A 74 -5.772 0.403 -10.015 1.00 0.00 C ATOM 1151 NE2 HIS A 74 -4.611 1.024 -10.060 1.00 0.00 N ATOM 0 H HIS A 74 -8.517 4.633 -7.064 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.698 4.992 -7.901 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.813 3.009 -6.703 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -7.423 2.621 -7.277 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -7.506 0.771 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.839 2.790 -9.012 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.043 -0.473 -10.585 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.818 0.755 -10.642 1.00 0.00 H new ATOM 1160 N ARG A 75 -6.014 5.246 -10.203 1.00 0.00 N ATOM 1161 CA ARG A 75 -6.106 5.499 -11.632 1.00 0.00 C ATOM 1162 C ARG A 75 -4.892 4.928 -12.349 1.00 0.00 C ATOM 1163 O ARG A 75 -4.376 5.526 -13.291 1.00 0.00 O ATOM 1164 CB ARG A 75 -6.193 7.013 -11.879 1.00 0.00 C ATOM 1165 CG ARG A 75 -7.594 7.599 -11.736 1.00 0.00 C ATOM 1166 CD ARG A 75 -8.279 7.170 -10.448 1.00 0.00 C ATOM 1167 NE ARG A 75 -9.712 6.967 -10.628 1.00 0.00 N ATOM 1168 CZ ARG A 75 -10.239 6.025 -11.411 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -9.458 5.183 -12.070 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -11.552 5.924 -11.532 1.00 0.00 N ATOM 0 H ARG A 75 -5.165 5.616 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.001 5.014 -12.022 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.528 7.521 -11.181 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.825 7.226 -12.882 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.533 8.687 -11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.202 7.290 -12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.825 6.247 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.114 7.927 -9.681 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.350 7.583 -10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.444 5.252 -11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.870 4.466 -12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.162 6.567 -11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.955 5.203 -12.131 1.00 0.00 H new ATOM 1184 N SER A 76 -4.428 3.775 -11.881 1.00 0.00 N ATOM 1185 CA SER A 76 -3.254 3.134 -12.464 1.00 0.00 C ATOM 1186 C SER A 76 -3.592 1.806 -13.147 1.00 0.00 C ATOM 1187 O SER A 76 -3.484 0.739 -12.540 1.00 0.00 O ATOM 1188 CB SER A 76 -2.185 2.910 -11.390 1.00 0.00 C ATOM 1189 OG SER A 76 -2.044 4.052 -10.562 1.00 0.00 O ATOM 0 H SER A 76 -4.845 3.266 -11.102 1.00 0.00 H new ATOM 0 HA SER A 76 -2.870 3.807 -13.231 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.453 2.047 -10.781 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.231 2.682 -11.865 1.00 0.00 H new ATOM 0 HG SER A 76 -1.357 3.882 -9.884 1.00 0.00 H new ATOM 1195 N HIS A 77 -3.976 1.884 -14.421 1.00 0.00 N ATOM 1196 CA HIS A 77 -4.304 0.695 -15.212 1.00 0.00 C ATOM 1197 C HIS A 77 -3.180 0.397 -16.197 1.00 0.00 C ATOM 1198 O HIS A 77 -3.285 0.652 -17.395 1.00 0.00 O ATOM 1199 CB HIS A 77 -5.616 0.891 -15.968 1.00 0.00 C ATOM 1200 CG HIS A 77 -5.740 2.238 -16.614 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -5.154 2.748 -17.724 1.00 0.00 N flip ATOM 1202 CD2 HIS A 77 -6.552 3.238 -16.120 1.00 0.00 C flip ATOM 1203 CE1 HIS A 77 -5.618 4.030 -17.877 1.00 0.00 C flip ATOM 1204 NE2 HIS A 77 -6.460 4.302 -16.897 1.00 0.00 N flip ATOM 0 H HIS A 77 -4.068 2.763 -14.931 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.420 -0.148 -14.531 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.703 0.120 -16.734 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.448 0.750 -15.278 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -4.491 2.268 -18.333 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.167 3.162 -15.236 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.340 4.707 -18.671 1.00 0.00 H new ATOM 1213 N ASN A 78 -2.083 -0.105 -15.664 1.00 0.00 N ATOM 1214 CA ASN A 78 -0.911 -0.409 -16.439 1.00 0.00 C ATOM 1215 C ASN A 78 -0.867 -1.887 -16.832 1.00 0.00 C ATOM 1216 O ASN A 78 -1.852 -2.618 -16.768 1.00 0.00 O ATOM 1217 CB ASN A 78 0.349 -0.012 -15.647 1.00 0.00 C ATOM 1218 CG ASN A 78 1.494 0.450 -16.540 1.00 0.00 C ATOM 1219 OD1 ASN A 78 2.438 -0.451 -16.810 1.00 0.00 O flip ATOM 1220 ND2 ASN A 78 1.533 1.600 -16.976 1.00 0.00 N flip ATOM 0 H ASN A 78 -1.986 -0.313 -14.670 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.948 0.168 -17.363 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.096 0.786 -14.949 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.680 -0.863 -15.052 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.789 2.259 -16.745 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.309 1.895 -17.569 1.00 0.00 H new ATOM 1227 N ARG A 79 0.322 -2.282 -17.177 1.00 0.00 N ATOM 1228 CA ARG A 79 0.582 -3.647 -17.523 1.00 0.00 C ATOM 1229 C ARG A 79 1.468 -4.318 -16.432 1.00 0.00 C ATOM 1230 O ARG A 79 1.048 -5.025 -15.517 1.00 0.00 O ATOM 1231 CB ARG A 79 1.230 -3.661 -18.936 1.00 0.00 C ATOM 1232 CG ARG A 79 0.270 -4.042 -20.069 1.00 0.00 C ATOM 1233 CD ARG A 79 -0.414 -2.822 -20.694 1.00 0.00 C ATOM 1234 NE ARG A 79 -1.149 -3.157 -21.922 1.00 0.00 N ATOM 1235 CZ ARG A 79 -2.230 -3.937 -21.957 1.00 0.00 C ATOM 1236 NH1 ARG A 79 -2.703 -4.479 -20.843 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -2.847 -4.172 -23.111 1.00 0.00 N ATOM 0 H ARG A 79 1.136 -1.670 -17.226 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.336 -4.233 -17.561 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.643 -2.674 -19.143 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.065 -4.362 -18.933 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.820 -4.581 -20.841 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.489 -4.723 -19.684 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.102 -2.385 -19.970 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.336 -2.064 -20.919 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.811 -2.769 -22.802 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.240 -4.300 -19.952 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.530 -5.075 -20.877 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.494 -3.755 -23.972 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.674 -4.769 -23.135 1.00 0.00 H new ATOM 1251 N SER A 80 2.706 -4.016 -16.705 1.00 0.00 N ATOM 1252 CA SER A 80 3.822 -4.491 -15.871 1.00 0.00 C ATOM 1253 C SER A 80 4.398 -3.368 -15.023 1.00 0.00 C ATOM 1254 O SER A 80 5.615 -3.205 -14.969 1.00 0.00 O ATOM 1255 CB SER A 80 4.881 -5.229 -16.671 1.00 0.00 C ATOM 1256 OG SER A 80 5.737 -5.966 -15.809 1.00 0.00 O ATOM 0 H SER A 80 2.989 -3.441 -17.499 1.00 0.00 H new ATOM 0 HA SER A 80 3.413 -5.230 -15.182 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.403 -5.904 -17.381 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.467 -4.517 -17.252 1.00 0.00 H new ATOM 0 HG SER A 80 6.160 -5.356 -15.169 1.00 0.00 H new ATOM 1262 N GLU A 81 3.550 -2.633 -14.315 1.00 0.00 N ATOM 1263 CA GLU A 81 4.049 -1.570 -13.442 1.00 0.00 C ATOM 1264 C GLU A 81 3.974 -1.964 -11.959 1.00 0.00 C ATOM 1265 O GLU A 81 2.897 -1.944 -11.365 1.00 0.00 O ATOM 1266 CB GLU A 81 3.294 -0.264 -13.682 1.00 0.00 C ATOM 1267 CG GLU A 81 4.170 0.965 -13.511 1.00 0.00 C ATOM 1268 CD GLU A 81 3.404 2.263 -13.669 1.00 0.00 C ATOM 1269 OE1 GLU A 81 2.458 2.492 -12.887 1.00 0.00 O ATOM 1270 OE2 GLU A 81 3.753 3.050 -14.573 1.00 0.00 O ATOM 0 H GLU A 81 2.536 -2.746 -14.324 1.00 0.00 H new ATOM 0 HA GLU A 81 5.099 -1.418 -13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.878 -0.270 -14.690 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.453 -0.204 -12.991 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.633 0.940 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.977 0.934 -14.243 1.00 0.00 H new ATOM 1277 N GLU A 82 5.121 -2.311 -11.363 1.00 0.00 N ATOM 1278 CA GLU A 82 5.184 -2.702 -9.944 1.00 0.00 C ATOM 1279 C GLU A 82 5.129 -1.484 -9.032 1.00 0.00 C ATOM 1280 O GLU A 82 5.494 -0.378 -9.428 1.00 0.00 O ATOM 1281 CB GLU A 82 6.443 -3.531 -9.637 1.00 0.00 C ATOM 1282 CG GLU A 82 7.569 -3.365 -10.638 1.00 0.00 C ATOM 1283 CD GLU A 82 8.697 -4.352 -10.421 1.00 0.00 C ATOM 1284 OE1 GLU A 82 9.053 -4.601 -9.251 1.00 0.00 O ATOM 1285 OE2 GLU A 82 9.223 -4.880 -11.424 1.00 0.00 O ATOM 0 H GLU A 82 6.022 -2.330 -11.841 1.00 0.00 H new ATOM 0 HA GLU A 82 4.310 -3.324 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.810 -3.256 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.166 -4.584 -9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.174 -3.488 -11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.962 -2.351 -10.571 1.00 0.00 H new ATOM 1292 N PHE A 83 4.594 -1.691 -7.832 1.00 0.00 N ATOM 1293 CA PHE A 83 4.403 -0.592 -6.886 1.00 0.00 C ATOM 1294 C PHE A 83 4.972 -0.825 -5.478 1.00 0.00 C ATOM 1295 O PHE A 83 5.440 -1.902 -5.117 1.00 0.00 O ATOM 1296 CB PHE A 83 2.921 -0.228 -6.789 1.00 0.00 C ATOM 1297 CG PHE A 83 2.500 0.845 -7.753 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.740 2.175 -7.473 1.00 0.00 C ATOM 1299 CD2 PHE A 83 1.861 0.520 -8.938 1.00 0.00 C ATOM 1300 CE1 PHE A 83 2.349 3.163 -8.357 1.00 0.00 C ATOM 1301 CE2 PHE A 83 1.472 1.506 -9.826 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.715 2.829 -9.531 1.00 0.00 C ATOM 0 H PHE A 83 4.286 -2.602 -7.492 1.00 0.00 H new ATOM 0 HA PHE A 83 4.984 0.233 -7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.324 -1.122 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.702 0.102 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.238 2.446 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.664 -0.516 -9.171 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.542 4.200 -8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.979 1.239 -10.749 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.409 3.602 -10.220 1.00 0.00 H new ATOM 1312 N LEU A 84 4.834 0.250 -4.703 1.00 0.00 N ATOM 1313 CA LEU A 84 5.213 0.309 -3.292 1.00 0.00 C ATOM 1314 C LEU A 84 3.952 0.643 -2.484 1.00 0.00 C ATOM 1315 O LEU A 84 3.235 1.585 -2.813 1.00 0.00 O ATOM 1316 CB LEU A 84 6.330 1.344 -3.065 1.00 0.00 C ATOM 1317 CG LEU A 84 6.937 1.390 -1.656 1.00 0.00 C ATOM 1318 CD1 LEU A 84 5.985 2.063 -0.681 1.00 0.00 C ATOM 1319 CD2 LEU A 84 7.309 -0.001 -1.169 1.00 0.00 C ATOM 0 H LEU A 84 4.445 1.127 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 84 5.614 -0.650 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.131 1.145 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.934 2.332 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 84 7.851 1.981 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.436 2.085 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.786 3.082 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.049 1.505 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.736 0.066 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.417 -0.627 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.041 -0.440 -1.847 1.00 0.00 H new ATOM 1331 N ILE A 85 3.654 -0.168 -1.469 1.00 0.00 N ATOM 1332 CA ILE A 85 2.416 0.049 -0.701 1.00 0.00 C ATOM 1333 C ILE A 85 2.623 0.086 0.825 1.00 0.00 C ATOM 1334 O ILE A 85 2.730 -0.949 1.468 1.00 0.00 O ATOM 1335 CB ILE A 85 1.389 -1.043 -1.073 1.00 0.00 C ATOM 1336 CG1 ILE A 85 1.060 -0.955 -2.567 1.00 0.00 C ATOM 1337 CG2 ILE A 85 0.116 -0.922 -0.246 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.354 -2.179 -3.107 1.00 0.00 C ATOM 0 H ILE A 85 4.226 -0.955 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 85 2.047 1.038 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 85 1.833 -2.014 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.435 -0.079 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.984 -0.803 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.582 -1.707 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.358 -1.024 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.340 0.052 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.154 -2.044 -4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.986 -3.056 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.587 -2.320 -2.576 1.00 0.00 H new ATOM 1350 N ALA A 86 2.517 1.298 1.384 1.00 0.00 N ATOM 1351 CA ALA A 86 2.521 1.503 2.849 1.00 0.00 C ATOM 1352 C ALA A 86 1.042 1.533 3.295 1.00 0.00 C ATOM 1353 O ALA A 86 0.273 2.393 2.869 1.00 0.00 O ATOM 1354 CB ALA A 86 3.243 2.791 3.226 1.00 0.00 C ATOM 0 H ALA A 86 2.427 2.160 0.846 1.00 0.00 H new ATOM 0 HA ALA A 86 3.059 0.699 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.228 2.913 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.276 2.744 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.742 3.639 2.759 1.00 0.00 H new ATOM 1360 N GLY A 87 0.663 0.595 4.186 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.711 0.539 4.713 1.00 0.00 C ATOM 1362 C GLY A 87 -0.878 -0.419 5.902 1.00 0.00 C ATOM 1363 O GLY A 87 -0.391 -1.539 5.870 1.00 0.00 O ATOM 0 H GLY A 87 1.284 -0.127 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.014 1.540 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.385 0.232 3.913 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.575 0.041 6.953 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.831 -0.742 8.175 1.00 0.00 C ATOM 1369 C LYS A 88 -3.062 -1.638 8.012 1.00 0.00 C ATOM 1370 O LYS A 88 -3.935 -1.366 7.187 1.00 0.00 O ATOM 1371 CB LYS A 88 -2.089 0.237 9.338 1.00 0.00 C ATOM 1372 CG LYS A 88 -1.643 -0.226 10.715 1.00 0.00 C ATOM 1373 CD LYS A 88 -2.698 -1.098 11.391 1.00 0.00 C ATOM 1374 CE LYS A 88 -2.312 -1.452 12.819 1.00 0.00 C ATOM 1375 NZ LYS A 88 -2.215 -2.929 13.024 1.00 0.00 N ATOM 0 H LYS A 88 -1.981 0.976 6.980 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.965 -1.373 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.586 1.177 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.157 0.449 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.712 -0.786 10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.434 0.642 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.654 -0.575 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.836 -2.013 10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.355 -0.989 13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.049 -1.038 13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.484 -3.134 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.131 -3.295 13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.962 -3.388 12.126 1.00 0.00 H new ATOM 1389 N LEU A 89 -3.112 -2.722 8.786 1.00 0.00 N ATOM 1390 CA LEU A 89 -4.189 -3.715 8.770 1.00 0.00 C ATOM 1391 C LEU A 89 -5.449 -3.284 9.517 1.00 0.00 C ATOM 1392 O LEU A 89 -5.378 -2.544 10.497 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.702 -5.021 9.405 1.00 0.00 C ATOM 1394 CG LEU A 89 -3.101 -6.021 8.434 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -2.763 -7.318 9.147 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -4.062 -6.285 7.284 1.00 0.00 C ATOM 0 H LEU A 89 -2.381 -2.941 9.463 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.451 -3.838 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.958 -4.783 10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.540 -5.493 9.917 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.181 -5.599 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.333 -8.023 8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.043 -7.120 9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.670 -7.744 9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.617 -7.004 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.996 -6.688 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.262 -5.353 6.756 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.615 -3.771 9.061 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.893 -3.490 9.703 1.00 0.00 C ATOM 1410 C GLN A 90 -8.625 -4.819 9.883 1.00 0.00 C ATOM 1411 O GLN A 90 -9.097 -5.426 8.917 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.724 -2.507 8.878 1.00 0.00 C ATOM 1413 CG GLN A 90 -9.800 -1.803 9.690 1.00 0.00 C ATOM 1414 CD GLN A 90 -9.309 -0.514 10.324 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -9.404 0.587 9.588 1.00 0.00 O flip ATOM 1416 NE2 GLN A 90 -8.858 -0.504 11.467 1.00 0.00 N flip ATOM 0 H GLN A 90 -6.689 -4.369 8.238 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.729 -3.018 10.672 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.062 -1.760 8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.193 -3.042 8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.651 -1.584 9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.157 -2.474 10.471 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.801 -1.371 12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.540 0.372 11.882 1.00 0.00 H new ATOM 1425 N ASP A 91 -8.716 -5.268 11.137 1.00 0.00 N ATOM 1426 CA ASP A 91 -9.393 -6.524 11.448 1.00 0.00 C ATOM 1427 C ASP A 91 -9.000 -7.627 10.475 1.00 0.00 C ATOM 1428 O ASP A 91 -9.781 -8.537 10.199 1.00 0.00 O ATOM 1429 CB ASP A 91 -10.909 -6.327 11.417 1.00 0.00 C ATOM 1430 CG ASP A 91 -11.445 -5.728 12.703 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -11.569 -6.472 13.698 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -11.743 -4.515 12.713 1.00 0.00 O ATOM 0 H ASP A 91 -8.331 -4.782 11.947 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.084 -6.827 12.448 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.170 -5.678 10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.393 -7.287 11.238 1.00 0.00 H new ATOM 1437 N GLY A 92 -7.778 -7.539 9.959 1.00 0.00 N ATOM 1438 CA GLY A 92 -7.305 -8.535 9.024 1.00 0.00 C ATOM 1439 C GLY A 92 -6.890 -7.944 7.692 1.00 0.00 C ATOM 1440 O GLY A 92 -5.829 -8.274 7.173 1.00 0.00 O ATOM 0 H GLY A 92 -7.111 -6.797 10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.458 -9.063 9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.090 -9.273 8.859 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.763 -7.147 7.077 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.512 -6.602 5.743 1.00 0.00 C ATOM 1446 C LEU A 93 -6.613 -5.376 5.731 1.00 0.00 C ATOM 1447 O LEU A 93 -6.551 -4.619 6.698 1.00 0.00 O ATOM 1448 CB LEU A 93 -8.846 -6.242 5.087 1.00 0.00 C ATOM 1449 CG LEU A 93 -9.815 -7.409 4.874 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -9.115 -8.566 4.182 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -10.425 -7.863 6.191 1.00 0.00 C ATOM 0 H LEU A 93 -8.654 -6.863 7.484 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.986 -7.380 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.341 -5.490 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.642 -5.781 4.120 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.624 -7.060 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.820 -9.385 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.740 -8.237 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.282 -8.907 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.108 -8.692 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.633 -8.187 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.971 -7.035 6.643 1.00 0.00 H new ATOM 1463 N LEU A 94 -5.951 -5.166 4.588 1.00 0.00 N ATOM 1464 CA LEU A 94 -5.075 -4.022 4.407 1.00 0.00 C ATOM 1465 C LEU A 94 -5.899 -2.756 4.268 1.00 0.00 C ATOM 1466 O LEU A 94 -7.030 -2.794 3.792 1.00 0.00 O ATOM 1467 CB LEU A 94 -4.163 -4.213 3.188 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.231 -3.031 2.888 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.177 -2.894 3.973 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.568 -3.190 1.530 1.00 0.00 C ATOM 0 H LEU A 94 -6.011 -5.781 3.776 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.437 -3.932 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.556 -5.105 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.785 -4.398 2.312 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.836 -2.124 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.526 -2.051 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.664 -2.725 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.584 -3.808 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.913 -2.339 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.982 -4.109 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.333 -3.237 0.755 1.00 0.00 H new ATOM 1482 N HIS A 95 -5.299 -1.624 4.597 1.00 0.00 N ATOM 1483 CA HIS A 95 -5.981 -0.354 4.458 1.00 0.00 C ATOM 1484 C HIS A 95 -5.057 0.674 3.827 1.00 0.00 C ATOM 1485 O HIS A 95 -3.887 0.789 4.191 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.552 0.136 5.797 1.00 0.00 C ATOM 1487 CG HIS A 95 -7.913 -0.434 6.096 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -8.415 -1.683 5.913 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -8.945 0.307 6.627 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.719 -1.666 6.329 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -10.017 -0.459 6.756 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.348 -1.561 4.959 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.833 -0.497 3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.866 -0.134 6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.614 1.224 5.784 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -7.912 -2.486 5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.889 1.351 6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.394 -2.509 6.310 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.607 1.429 2.888 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.838 2.456 2.192 1.00 0.00 C ATOM 1502 C ILE A 96 -5.548 3.794 2.257 1.00 0.00 C ATOM 1503 O ILE A 96 -6.773 3.873 2.133 1.00 0.00 O ATOM 1504 CB ILE A 96 -4.557 2.115 0.704 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -5.082 0.728 0.323 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -3.066 2.205 0.419 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -4.393 -0.406 1.054 1.00 0.00 C ATOM 0 H ILE A 96 -6.579 1.352 2.589 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.879 2.504 2.709 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.089 2.846 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.151 0.685 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.958 0.585 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.880 1.964 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.716 3.217 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.531 1.499 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.817 -1.357 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.327 -0.390 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.538 -0.288 2.128 1.00 0.00 H new ATOM 1519 N THR A 97 -4.768 4.858 2.440 1.00 0.00 N ATOM 1520 CA THR A 97 -5.321 6.191 2.508 1.00 0.00 C ATOM 1521 C THR A 97 -4.468 7.199 1.741 1.00 0.00 C ATOM 1522 O THR A 97 -3.245 7.104 1.706 1.00 0.00 O ATOM 1523 CB THR A 97 -5.461 6.630 3.972 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.203 6.631 4.625 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.391 5.742 4.774 1.00 0.00 C ATOM 0 H THR A 97 -3.754 4.814 2.543 1.00 0.00 H new ATOM 0 HA THR A 97 -6.305 6.164 2.040 1.00 0.00 H new ATOM 0 HB THR A 97 -5.882 7.635 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.318 6.916 5.556 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.447 6.106 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.386 5.760 4.328 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.011 4.720 4.771 1.00 0.00 H new ATOM 1533 N THR A 98 -5.133 8.163 1.114 1.00 0.00 N ATOM 1534 CA THR A 98 -4.458 9.199 0.335 1.00 0.00 C ATOM 1535 C THR A 98 -3.398 9.954 1.147 1.00 0.00 C ATOM 1536 O THR A 98 -2.606 10.720 0.602 1.00 0.00 O ATOM 1537 CB THR A 98 -5.499 10.158 -0.231 1.00 0.00 C ATOM 1538 OG1 THR A 98 -6.160 10.855 0.806 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.550 9.442 -1.050 1.00 0.00 C ATOM 0 H THR A 98 -6.149 8.250 1.130 1.00 0.00 H new ATOM 0 HA THR A 98 -3.923 8.712 -0.480 1.00 0.00 H new ATOM 0 HB THR A 98 -4.954 10.851 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.925 11.343 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.269 10.166 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.073 8.929 -1.885 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.066 8.714 -0.424 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.363 9.683 2.445 1.00 0.00 N ATOM 1548 CA CYS A 99 -2.355 10.286 3.305 1.00 0.00 C ATOM 1549 C CYS A 99 -1.434 9.194 3.839 1.00 0.00 C ATOM 1550 O CYS A 99 -0.835 9.323 4.906 1.00 0.00 O ATOM 1551 CB CYS A 99 -2.987 11.088 4.441 1.00 0.00 C ATOM 1552 SG CYS A 99 -3.511 12.738 3.929 1.00 0.00 S ATOM 0 H CYS A 99 -4.013 9.057 2.921 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.769 10.993 2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -3.848 10.543 4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -2.271 11.177 5.258 1.00 0.00 H new ATOM 1557 N SER A 100 -1.290 8.144 3.021 1.00 0.00 N ATOM 1558 CA SER A 100 -0.413 7.018 3.305 1.00 0.00 C ATOM 1559 C SER A 100 0.698 7.004 2.263 1.00 0.00 C ATOM 1560 O SER A 100 0.527 7.558 1.177 1.00 0.00 O ATOM 1561 CB SER A 100 -1.213 5.703 3.251 1.00 0.00 C ATOM 1562 OG SER A 100 -0.520 4.710 2.515 1.00 0.00 O ATOM 0 H SER A 100 -1.788 8.058 2.135 1.00 0.00 H new ATOM 0 HA SER A 100 0.015 7.115 4.303 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.398 5.345 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.186 5.885 2.794 1.00 0.00 H new ATOM 0 HG SER A 100 -0.386 3.919 3.078 1.00 0.00 H new ATOM 1568 N PHE A 101 1.833 6.385 2.558 1.00 0.00 N ATOM 1569 CA PHE A 101 2.919 6.341 1.581 1.00 0.00 C ATOM 1570 C PHE A 101 2.622 5.275 0.520 1.00 0.00 C ATOM 1571 O PHE A 101 2.703 4.081 0.798 1.00 0.00 O ATOM 1572 CB PHE A 101 4.257 6.049 2.269 1.00 0.00 C ATOM 1573 CG PHE A 101 5.457 6.275 1.392 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.718 5.436 0.323 1.00 0.00 C ATOM 1575 CD2 PHE A 101 6.322 7.330 1.641 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.821 5.643 -0.484 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.427 7.542 0.839 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.676 6.698 -0.226 1.00 0.00 C ATOM 0 H PHE A 101 2.027 5.916 3.443 1.00 0.00 H new ATOM 0 HA PHE A 101 2.992 7.315 1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.343 6.678 3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.260 5.014 2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.053 4.611 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.130 7.993 2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.015 4.981 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.095 8.366 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.538 6.862 -0.856 1.00 0.00 H new ATOM 1588 N VAL A 102 2.253 5.692 -0.694 1.00 0.00 N ATOM 1589 CA VAL A 102 1.921 4.712 -1.738 1.00 0.00 C ATOM 1590 C VAL A 102 2.317 5.166 -3.147 1.00 0.00 C ATOM 1591 O VAL A 102 1.658 6.022 -3.738 1.00 0.00 O ATOM 1592 CB VAL A 102 0.405 4.398 -1.746 1.00 0.00 C ATOM 1593 CG1 VAL A 102 0.151 3.028 -2.349 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.201 4.481 -0.347 1.00 0.00 C ATOM 0 H VAL A 102 2.177 6.669 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 102 2.500 3.823 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.082 5.155 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.919 2.822 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.523 3.007 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.667 2.270 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.266 4.254 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.293 3.762 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.063 5.487 0.050 1.00 0.00 H new ATOM 1604 N ALA A 103 3.409 4.601 -3.677 1.00 0.00 N ATOM 1605 CA ALA A 103 3.888 4.965 -5.022 1.00 0.00 C ATOM 1606 C ALA A 103 4.806 3.891 -5.636 1.00 0.00 C ATOM 1607 O ALA A 103 5.214 2.957 -4.955 1.00 0.00 O ATOM 1608 CB ALA A 103 4.607 6.302 -4.971 1.00 0.00 C ATOM 0 H ALA A 103 3.975 3.897 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 103 3.012 5.040 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.958 6.565 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.921 7.070 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.458 6.232 -4.294 1.00 0.00 H new ATOM 1614 N PRO A 104 5.129 4.007 -6.949 1.00 0.00 N ATOM 1615 CA PRO A 104 5.990 3.043 -7.667 1.00 0.00 C ATOM 1616 C PRO A 104 7.342 2.804 -7.065 1.00 0.00 C ATOM 1617 O PRO A 104 8.109 3.742 -6.865 1.00 0.00 O ATOM 1618 CB PRO A 104 6.263 3.729 -8.999 1.00 0.00 C ATOM 1619 CG PRO A 104 5.076 4.582 -9.227 1.00 0.00 C ATOM 1620 CD PRO A 104 4.670 5.084 -7.859 1.00 0.00 C ATOM 0 HA PRO A 104 5.480 2.080 -7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.176 4.322 -8.960 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.389 3.002 -9.801 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.311 5.411 -9.895 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.269 4.016 -9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.143 6.038 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.593 5.237 -7.790 1.00 0.00 H new ATOM 1628 N TRP A 105 7.678 1.547 -6.866 1.00 0.00 N ATOM 1629 CA TRP A 105 9.000 1.213 -6.403 1.00 0.00 C ATOM 1630 C TRP A 105 9.955 1.886 -7.347 1.00 0.00 C ATOM 1631 O TRP A 105 10.863 2.614 -6.964 1.00 0.00 O ATOM 1632 CB TRP A 105 9.214 -0.286 -6.544 1.00 0.00 C ATOM 1633 CG TRP A 105 10.482 -0.792 -5.955 1.00 0.00 C ATOM 1634 CD1 TRP A 105 11.497 -1.415 -6.619 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.862 -0.739 -4.585 1.00 0.00 C ATOM 1636 NE1 TRP A 105 12.489 -1.756 -5.740 1.00 0.00 N ATOM 1637 CE2 TRP A 105 12.124 -1.350 -4.482 1.00 0.00 C ATOM 1638 CE3 TRP A 105 10.257 -0.231 -3.436 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.790 -1.469 -3.269 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.919 -0.349 -2.233 1.00 0.00 C ATOM 1641 CH2 TRP A 105 12.174 -0.963 -2.159 1.00 0.00 C ATOM 0 H TRP A 105 7.059 0.750 -7.017 1.00 0.00 H new ATOM 0 HA TRP A 105 9.141 1.517 -5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 105 8.379 -0.804 -6.073 1.00 0.00 H new ATOM 0 HB3 TRP A 105 9.193 -0.544 -7.603 1.00 0.00 H new ATOM 0 HD1 TRP A 105 11.515 -1.610 -7.681 1.00 0.00 H new ATOM 0 HE1 TRP A 105 13.357 -2.234 -5.981 1.00 0.00 H new ATOM 0 HE3 TRP A 105 9.289 0.245 -3.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.758 -1.943 -3.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 10.462 0.038 -1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.668 -1.039 -1.202 1.00 0.00 H new ATOM 1652 N ASN A 106 9.721 1.590 -8.615 1.00 0.00 N ATOM 1653 CA ASN A 106 10.506 2.086 -9.707 1.00 0.00 C ATOM 1654 C ASN A 106 10.760 3.603 -9.668 1.00 0.00 C ATOM 1655 O ASN A 106 11.559 4.117 -10.448 1.00 0.00 O ATOM 1656 CB ASN A 106 9.891 1.657 -11.037 1.00 0.00 C ATOM 1657 CG ASN A 106 10.115 0.182 -11.307 1.00 0.00 C ATOM 1658 OD1 ASN A 106 9.133 -0.638 -10.974 1.00 0.00 O flip ATOM 1659 ND2 ASN A 106 11.166 -0.219 -11.804 1.00 0.00 N flip ATOM 0 H ASN A 106 8.957 0.981 -8.909 1.00 0.00 H new ATOM 0 HA ASN A 106 11.493 1.635 -9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.822 1.867 -11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.325 2.245 -11.846 1.00 0.00 H new ATOM 0 HD21 ASN A 106 11.901 0.445 -12.048 1.00 0.00 H new ATOM 0 HD22 ASN A 106 11.303 -1.216 -11.973 1.00 0.00 H new ATOM 1666 N SER A 107 10.083 4.310 -8.773 1.00 0.00 N ATOM 1667 CA SER A 107 10.270 5.760 -8.653 1.00 0.00 C ATOM 1668 C SER A 107 11.145 6.083 -7.449 1.00 0.00 C ATOM 1669 O SER A 107 11.619 7.207 -7.272 1.00 0.00 O ATOM 1670 CB SER A 107 8.933 6.483 -8.551 1.00 0.00 C ATOM 1671 OG SER A 107 9.075 7.855 -8.880 1.00 0.00 O ATOM 0 H SER A 107 9.405 3.913 -8.123 1.00 0.00 H new ATOM 0 HA SER A 107 10.771 6.111 -9.555 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.211 6.017 -9.221 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.538 6.386 -7.540 1.00 0.00 H new ATOM 0 HG SER A 107 9.909 8.199 -8.497 1.00 0.00 H new ATOM 1677 N LEU A 108 11.335 5.068 -6.645 1.00 0.00 N ATOM 1678 CA LEU A 108 12.126 5.142 -5.440 1.00 0.00 C ATOM 1679 C LEU A 108 13.623 5.154 -5.693 1.00 0.00 C ATOM 1680 O LEU A 108 14.135 4.524 -6.622 1.00 0.00 O ATOM 1681 CB LEU A 108 11.782 3.952 -4.570 1.00 0.00 C ATOM 1682 CG LEU A 108 10.704 4.185 -3.517 1.00 0.00 C ATOM 1683 CD1 LEU A 108 9.353 4.437 -4.164 1.00 0.00 C ATOM 1684 CD2 LEU A 108 10.641 2.993 -2.576 1.00 0.00 C ATOM 0 H LEU A 108 10.935 4.145 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 108 11.886 6.087 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.461 3.135 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.690 3.621 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 108 10.962 5.075 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.603 4.600 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.414 5.319 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.071 3.573 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.870 3.163 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.403 2.093 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.605 2.867 -2.084 1.00 0.00 H new ATOM 1696 N SER A 109 14.304 5.824 -4.784 1.00 0.00 N ATOM 1697 CA SER A 109 15.733 5.880 -4.804 1.00 0.00 C ATOM 1698 C SER A 109 16.258 4.469 -4.697 1.00 0.00 C ATOM 1699 O SER A 109 15.710 3.622 -4.000 1.00 0.00 O ATOM 1700 CB SER A 109 16.251 6.762 -3.657 1.00 0.00 C ATOM 1701 OG SER A 109 15.401 7.877 -3.448 1.00 0.00 O ATOM 0 H SER A 109 13.873 6.340 -4.017 1.00 0.00 H new ATOM 0 HA SER A 109 16.084 6.328 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.316 6.173 -2.742 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.259 7.107 -3.886 1.00 0.00 H new ATOM 0 HG SER A 109 15.751 8.422 -2.712 1.00 0.00 H new ATOM 1707 N LEU A 110 17.366 4.285 -5.332 1.00 0.00 N ATOM 1708 CA LEU A 110 18.086 3.041 -5.314 1.00 0.00 C ATOM 1709 C LEU A 110 18.464 2.649 -3.908 1.00 0.00 C ATOM 1710 O LEU A 110 18.496 1.470 -3.554 1.00 0.00 O ATOM 1711 CB LEU A 110 19.292 3.166 -6.228 1.00 0.00 C ATOM 1712 CG LEU A 110 19.999 4.545 -6.299 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.894 5.074 -7.722 1.00 0.00 C ATOM 1714 CD2 LEU A 110 19.447 5.596 -5.330 1.00 0.00 C ATOM 0 H LEU A 110 17.813 5.009 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 110 17.450 2.237 -5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 110 20.029 2.426 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.979 2.897 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 110 21.033 4.376 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.387 6.044 -7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.376 4.375 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.844 5.182 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.001 6.527 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.393 5.771 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.555 5.239 -4.306 1.00 0.00 H new ATOM 1726 N ALA A 111 18.714 3.657 -3.109 1.00 0.00 N ATOM 1727 CA ALA A 111 19.047 3.479 -1.721 1.00 0.00 C ATOM 1728 C ALA A 111 17.786 3.366 -0.900 1.00 0.00 C ATOM 1729 O ALA A 111 17.725 2.618 0.072 1.00 0.00 O ATOM 1730 CB ALA A 111 19.920 4.616 -1.284 1.00 0.00 C ATOM 0 H ALA A 111 18.691 4.632 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 111 19.603 2.553 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.179 4.492 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.830 4.627 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.386 5.557 -1.418 1.00 0.00 H new ATOM 1736 N GLN A 112 16.776 4.114 -1.302 1.00 0.00 N ATOM 1737 CA GLN A 112 15.507 4.114 -0.617 1.00 0.00 C ATOM 1738 C GLN A 112 14.662 2.992 -1.163 1.00 0.00 C ATOM 1739 O GLN A 112 13.611 2.653 -0.637 1.00 0.00 O ATOM 1740 CB GLN A 112 14.819 5.461 -0.827 1.00 0.00 C ATOM 1741 CG GLN A 112 13.470 5.570 -0.152 1.00 0.00 C ATOM 1742 CD GLN A 112 12.821 6.923 -0.369 1.00 0.00 C ATOM 1743 OE1 GLN A 112 11.925 7.066 -1.199 1.00 0.00 O ATOM 1744 NE2 GLN A 112 13.275 7.926 0.373 1.00 0.00 N ATOM 0 H GLN A 112 16.816 4.735 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 112 15.651 3.963 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.468 6.252 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.695 5.632 -1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.812 4.789 -0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.587 5.394 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 112 14.020 7.763 1.050 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.879 8.860 0.266 1.00 0.00 H new ATOM 1753 N ARG A 113 15.260 2.317 -2.124 1.00 0.00 N ATOM 1754 CA ARG A 113 14.743 1.102 -2.664 1.00 0.00 C ATOM 1755 C ARG A 113 15.376 0.037 -1.778 1.00 0.00 C ATOM 1756 O ARG A 113 14.731 -0.925 -1.367 1.00 0.00 O ATOM 1757 CB ARG A 113 15.143 1.002 -4.119 1.00 0.00 C ATOM 1758 CG ARG A 113 14.164 1.719 -5.031 1.00 0.00 C ATOM 1759 CD ARG A 113 14.171 1.113 -6.407 1.00 0.00 C ATOM 1760 NE ARG A 113 13.679 2.041 -7.421 1.00 0.00 N ATOM 1761 CZ ARG A 113 14.329 2.317 -8.551 1.00 0.00 C ATOM 1762 NH1 ARG A 113 15.490 1.737 -8.821 1.00 0.00 N ATOM 1763 NH2 ARG A 113 13.818 3.181 -9.414 1.00 0.00 N ATOM 0 H ARG A 113 16.137 2.615 -2.552 1.00 0.00 H new ATOM 0 HA ARG A 113 13.657 1.012 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 113 16.138 1.427 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 113 15.204 -0.048 -4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 113 13.160 1.663 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 113 14.425 2.775 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 113 15.185 0.804 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.554 0.214 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 113 12.786 2.505 -7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 113 15.894 1.072 -8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 113 15.979 1.955 -9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.927 3.635 -9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.315 3.392 -10.279 1.00 0.00 H new ATOM 1777 N ARG A 114 16.643 0.256 -1.445 1.00 0.00 N ATOM 1778 CA ARG A 114 17.362 -0.631 -0.557 1.00 0.00 C ATOM 1779 C ARG A 114 16.755 -0.484 0.826 1.00 0.00 C ATOM 1780 O ARG A 114 16.280 -1.434 1.443 1.00 0.00 O ATOM 1781 CB ARG A 114 18.833 -0.198 -0.497 1.00 0.00 C ATOM 1782 CG ARG A 114 19.719 -1.102 0.329 1.00 0.00 C ATOM 1783 CD ARG A 114 19.675 -0.714 1.788 1.00 0.00 C ATOM 1784 NE ARG A 114 19.806 0.733 2.001 1.00 0.00 N ATOM 1785 CZ ARG A 114 20.961 1.362 2.215 1.00 0.00 C ATOM 1786 NH1 ARG A 114 22.096 0.690 2.225 1.00 0.00 N ATOM 1787 NH2 ARG A 114 20.978 2.673 2.405 1.00 0.00 N ATOM 0 H ARG A 114 17.191 1.047 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 114 17.298 -1.661 -0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 114 19.227 -0.153 -1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 114 18.885 0.812 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 114 19.397 -2.137 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 114 20.745 -1.045 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.735 -1.056 2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 114 20.476 -1.228 2.319 1.00 0.00 H new ATOM 0 HE ARG A 114 18.955 1.295 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 114 22.093 -0.318 2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 114 22.976 1.178 2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 114 20.106 3.202 2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 114 21.863 3.153 2.569 1.00 0.00 H new ATOM 1801 N GLY A 115 16.808 0.753 1.287 1.00 0.00 N ATOM 1802 CA GLY A 115 16.291 1.091 2.587 1.00 0.00 C ATOM 1803 C GLY A 115 14.954 0.472 2.886 1.00 0.00 C ATOM 1804 O GLY A 115 14.736 0.036 4.015 1.00 0.00 O ATOM 0 H GLY A 115 17.207 1.538 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 115 17.006 0.774 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.205 2.175 2.663 1.00 0.00 H new ATOM 1808 N PHE A 116 14.041 0.431 1.948 1.00 0.00 N ATOM 1809 CA PHE A 116 12.750 -0.155 2.261 1.00 0.00 C ATOM 1810 C PHE A 116 12.870 -1.665 2.337 1.00 0.00 C ATOM 1811 O PHE A 116 12.060 -2.343 2.970 1.00 0.00 O ATOM 1812 CB PHE A 116 11.682 0.218 1.234 1.00 0.00 C ATOM 1813 CG PHE A 116 10.923 1.477 1.547 1.00 0.00 C ATOM 1814 CD1 PHE A 116 11.440 2.713 1.208 1.00 0.00 C ATOM 1815 CD2 PHE A 116 9.683 1.419 2.159 1.00 0.00 C ATOM 1816 CE1 PHE A 116 10.739 3.871 1.471 1.00 0.00 C ATOM 1817 CE2 PHE A 116 8.976 2.575 2.430 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.505 3.802 2.085 1.00 0.00 C ATOM 0 H PHE A 116 14.153 0.780 0.996 1.00 0.00 H new ATOM 0 HA PHE A 116 12.440 0.246 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.157 0.329 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 116 10.974 -0.606 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 116 12.407 2.773 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.264 0.461 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.155 4.829 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.011 2.518 2.911 1.00 0.00 H new ATOM 0 HZ PHE A 116 8.954 4.707 2.295 1.00 0.00 H new ATOM 1828 N THR A 117 13.932 -2.169 1.738 1.00 0.00 N ATOM 1829 CA THR A 117 14.221 -3.581 1.754 1.00 0.00 C ATOM 1830 C THR A 117 15.024 -3.923 3.008 1.00 0.00 C ATOM 1831 O THR A 117 15.093 -5.084 3.409 1.00 0.00 O ATOM 1832 CB THR A 117 14.967 -3.978 0.460 1.00 0.00 C ATOM 1833 OG1 THR A 117 14.493 -5.219 -0.032 1.00 0.00 O ATOM 1834 CG2 THR A 117 16.476 -4.097 0.592 1.00 0.00 C ATOM 0 H THR A 117 14.615 -1.608 1.229 1.00 0.00 H new ATOM 0 HA THR A 117 13.294 -4.154 1.786 1.00 0.00 H new ATOM 0 HB THR A 117 14.759 -3.153 -0.222 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.976 -5.452 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.904 -4.379 -0.370 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.890 -3.139 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.717 -4.858 1.334 1.00 0.00 H new ATOM 1842 N LYS A 118 15.664 -2.908 3.608 1.00 0.00 N ATOM 1843 CA LYS A 118 16.483 -3.136 4.797 1.00 0.00 C ATOM 1844 C LYS A 118 16.410 -2.058 5.889 1.00 0.00 C ATOM 1845 O LYS A 118 16.582 -2.339 7.074 1.00 0.00 O ATOM 1846 CB LYS A 118 17.954 -3.248 4.344 1.00 0.00 C ATOM 1847 CG LYS A 118 18.829 -2.014 4.622 1.00 0.00 C ATOM 1848 CD LYS A 118 20.303 -2.383 4.730 1.00 0.00 C ATOM 1849 CE LYS A 118 21.215 -1.182 4.504 1.00 0.00 C ATOM 1850 NZ LYS A 118 22.528 -1.586 3.913 1.00 0.00 N ATOM 0 H LYS A 118 15.629 -1.939 3.292 1.00 0.00 H new ATOM 0 HA LYS A 118 16.085 -4.042 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 118 18.403 -4.109 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.972 -3.450 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.694 -1.284 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.504 -1.538 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 118 20.499 -2.806 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 118 20.537 -3.157 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.722 -0.470 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 118 21.385 -0.671 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 23.158 -0.759 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 22.964 -2.322 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 22.377 -1.958 2.954 1.00 0.00 H new ATOM 1864 N THR A 119 16.406 -0.825 5.433 1.00 0.00 N ATOM 1865 CA THR A 119 16.615 0.337 6.309 1.00 0.00 C ATOM 1866 C THR A 119 15.451 1.149 6.843 1.00 0.00 C ATOM 1867 O THR A 119 15.684 1.953 7.752 1.00 0.00 O ATOM 1868 CB THR A 119 17.448 1.304 5.520 1.00 0.00 C ATOM 1869 OG1 THR A 119 17.961 0.658 4.385 1.00 0.00 O ATOM 1870 CG2 THR A 119 18.634 1.840 6.248 1.00 0.00 C ATOM 0 H THR A 119 16.260 -0.586 4.452 1.00 0.00 H new ATOM 0 HA THR A 119 17.030 -0.118 7.208 1.00 0.00 H new ATOM 0 HB THR A 119 16.776 2.131 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 119 18.940 0.695 4.402 1.00 0.00 H new ATOM 0 HG21 THR A 119 19.176 2.530 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 119 18.304 2.366 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 119 19.290 1.017 6.531 1.00 0.00 H new ATOM 1878 N TYR A 120 14.253 1.084 6.317 1.00 0.00 N ATOM 1879 CA TYR A 120 13.244 1.979 6.846 1.00 0.00 C ATOM 1880 C TYR A 120 12.294 1.303 7.821 1.00 0.00 C ATOM 1881 O TYR A 120 11.207 1.803 8.109 1.00 0.00 O ATOM 1882 CB TYR A 120 12.464 2.616 5.699 1.00 0.00 C ATOM 1883 CG TYR A 120 13.255 3.573 4.832 1.00 0.00 C ATOM 1884 CD1 TYR A 120 13.955 3.124 3.728 1.00 0.00 C ATOM 1885 CD2 TYR A 120 13.270 4.932 5.098 1.00 0.00 C ATOM 1886 CE1 TYR A 120 14.659 3.993 2.917 1.00 0.00 C ATOM 1887 CE2 TYR A 120 13.968 5.808 4.290 1.00 0.00 C ATOM 1888 CZ TYR A 120 14.662 5.333 3.204 1.00 0.00 C ATOM 1889 OH TYR A 120 15.357 6.204 2.400 1.00 0.00 O ATOM 0 H TYR A 120 13.958 0.460 5.566 1.00 0.00 H new ATOM 0 HA TYR A 120 13.768 2.748 7.413 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.067 1.822 5.066 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.609 3.150 6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 120 13.952 2.070 3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 120 12.727 5.313 5.951 1.00 0.00 H new ATOM 0 HE1 TYR A 120 15.203 3.619 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 120 13.968 6.865 4.512 1.00 0.00 H new ATOM 0 HH TYR A 120 15.255 7.117 2.742 1.00 0.00 H new ATOM 1899 N THR A 121 12.699 0.131 8.295 1.00 0.00 N ATOM 1900 CA THR A 121 11.895 -0.670 9.209 1.00 0.00 C ATOM 1901 C THR A 121 12.333 -0.609 10.686 1.00 0.00 C ATOM 1902 O THR A 121 11.586 -0.813 11.643 1.00 0.00 O ATOM 1903 CB THR A 121 11.818 -2.119 8.724 1.00 0.00 C ATOM 1904 OG1 THR A 121 12.337 -3.018 9.695 1.00 0.00 O ATOM 1905 CG2 THR A 121 12.552 -2.363 7.418 1.00 0.00 C ATOM 0 H THR A 121 13.596 -0.291 8.056 1.00 0.00 H new ATOM 0 HA THR A 121 10.903 -0.218 9.192 1.00 0.00 H new ATOM 0 HB THR A 121 10.756 -2.301 8.559 1.00 0.00 H new ATOM 0 HG1 THR A 121 12.273 -3.936 9.358 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.454 -3.411 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 121 12.123 -1.736 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.607 -2.117 7.542 1.00 0.00 H new ATOM 1913 N VAL A 122 13.639 -0.292 10.745 1.00 0.00 N ATOM 1914 CA VAL A 122 14.358 -0.145 12.011 1.00 0.00 C ATOM 1915 C VAL A 122 14.935 1.253 12.158 1.00 0.00 C ATOM 1916 O VAL A 122 15.153 1.734 13.273 1.00 0.00 O ATOM 1917 CB VAL A 122 15.535 -1.141 12.101 1.00 0.00 C ATOM 1918 CG1 VAL A 122 16.047 -1.252 13.531 1.00 0.00 C ATOM 1919 CG2 VAL A 122 15.145 -2.510 11.559 1.00 0.00 C ATOM 0 H VAL A 122 14.217 -0.133 9.920 1.00 0.00 H new ATOM 0 HA VAL A 122 13.634 -0.340 12.802 1.00 0.00 H new ATOM 0 HB VAL A 122 16.343 -0.754 11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 122 16.875 -1.959 13.567 1.00 0.00 H new ATOM 0 HG12 VAL A 122 16.389 -0.275 13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 122 15.243 -1.601 14.179 1.00 0.00 H new ATOM 0 HG21 VAL A 122 15.995 -3.188 11.637 1.00 0.00 H new ATOM 0 HG22 VAL A 122 14.311 -2.906 12.138 1.00 0.00 H new ATOM 0 HG23 VAL A 122 14.849 -2.417 10.514 1.00 0.00 H new ATOM 1929 N GLY A 123 15.168 1.912 11.020 1.00 0.00 N ATOM 1930 CA GLY A 123 15.705 3.246 11.016 1.00 0.00 C ATOM 1931 C GLY A 123 14.936 4.110 10.048 1.00 0.00 C ATOM 1932 O GLY A 123 15.507 4.946 9.354 1.00 0.00 O ATOM 0 H GLY A 123 14.987 1.528 10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.651 3.672 12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.758 3.222 10.737 1.00 0.00 H new ATOM 1936 N CYS A 124 13.631 3.862 9.985 1.00 0.00 N ATOM 1937 CA CYS A 124 12.748 4.578 9.073 1.00 0.00 C ATOM 1938 C CYS A 124 13.041 6.057 9.063 1.00 0.00 C ATOM 1939 O CYS A 124 12.586 6.823 9.911 1.00 0.00 O ATOM 1940 CB CYS A 124 11.294 4.306 9.398 1.00 0.00 C ATOM 1941 SG CYS A 124 10.889 4.334 11.175 1.00 0.00 S ATOM 0 H CYS A 124 13.160 3.164 10.561 1.00 0.00 H new ATOM 0 HA CYS A 124 12.941 4.204 8.067 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.678 5.046 8.888 1.00 0.00 H new ATOM 0 HB3 CYS A 124 11.022 3.331 8.993 1.00 0.00 H new ATOM 1946 N GLU A 125 13.829 6.419 8.076 1.00 0.00 N ATOM 1947 CA GLU A 125 14.272 7.788 7.869 1.00 0.00 C ATOM 1948 C GLU A 125 13.712 8.386 6.583 1.00 0.00 C ATOM 1949 O GLU A 125 14.297 8.255 5.514 1.00 0.00 O ATOM 1950 CB GLU A 125 15.793 7.801 7.820 1.00 0.00 C ATOM 1951 CG GLU A 125 16.380 6.499 7.280 1.00 0.00 C ATOM 1952 CD GLU A 125 17.778 6.228 7.782 1.00 0.00 C ATOM 1953 OE1 GLU A 125 18.668 7.068 7.540 1.00 0.00 O ATOM 1954 OE2 GLU A 125 17.983 5.174 8.421 1.00 0.00 O ATOM 0 H GLU A 125 14.188 5.764 7.381 1.00 0.00 H new ATOM 0 HA GLU A 125 13.903 8.397 8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 125 16.125 8.630 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 125 16.182 7.982 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 125 15.731 5.670 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.392 6.537 6.191 1.00 0.00 H new ATOM 1961 N GLU A 126 12.591 9.062 6.711 1.00 0.00 N ATOM 1962 CA GLU A 126 11.935 9.705 5.589 1.00 0.00 C ATOM 1963 C GLU A 126 12.860 10.684 4.900 1.00 0.00 C ATOM 1964 O GLU A 126 13.719 11.262 5.592 1.00 0.00 O ATOM 1965 CB GLU A 126 10.678 10.431 6.060 1.00 0.00 C ATOM 1966 CG GLU A 126 10.897 11.321 7.270 1.00 0.00 C ATOM 1967 CD GLU A 126 11.592 12.608 6.915 1.00 0.00 C ATOM 1968 OE1 GLU A 126 11.121 13.299 5.987 1.00 0.00 O ATOM 1969 OE2 GLU A 126 12.608 12.924 7.563 1.00 0.00 O ATOM 1970 OXT GLU A 126 12.712 10.870 3.675 1.00 0.00 O ATOM 0 H GLU A 126 12.105 9.183 7.600 1.00 0.00 H new ATOM 0 HA GLU A 126 11.661 8.930 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 126 10.292 11.037 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 126 9.912 9.693 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.935 11.545 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 126 11.489 10.784 8.011 1.00 0.00 H new TER 1977 GLU A 126