USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 LEU N :NH3+ -104:sc= 0.113 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -49:sc= -0.516 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.826 K(o=1.1,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0463) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= -0.0115 (180deg=-0.144) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -79:sc= -0.396 USER MOD Single : A 35 GLN : amide:sc= -0.874 K(o=-0.87,f=0.057) USER MOD Single : A 36 LYS NZ :NH3+ 130:sc= -0.192 (180deg=-1.27) USER MOD Single : A 37 THR OG1 : rot -50:sc= 0 USER MOD Single : A 42 THR OG1 : rot 50:sc= 0.231 USER MOD Single : A 43 THR OG1 : rot 97:sc= 1.02 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 47 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0.025) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 50 GLN : amide:sc= 1.16 K(o=1.2,f=-0.32) USER MOD Single : A 52 LYS NZ :NH3+ -149:sc= 0.875 (180deg=0.18) USER MOD Single : A 55 HIS : no HD1:sc= -1.25 K(o=-1.3,f=0.38) USER MOD Single : A 58 SER OG : rot 180:sc= -0.886 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0352 (180deg=-0.242) USER MOD Single : A 67 GLN : amide:sc= -9.2! C(o=-9.2!,f=-12!) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= -0.0172 (180deg=-0.129) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -109:sc= -0.532 (180deg=-2.24!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -17.596 3.610 -4.137 1.00 0.00 N ATOM 2 CA LEU A 1 -16.275 3.831 -3.508 1.00 0.00 C ATOM 3 C LEU A 1 -15.496 4.901 -4.259 1.00 0.00 C ATOM 4 O LEU A 1 -15.833 5.239 -5.394 1.00 0.00 O ATOM 5 CB LEU A 1 -15.463 2.530 -3.485 1.00 0.00 C ATOM 6 CG LEU A 1 -15.932 1.478 -2.491 1.00 0.00 C ATOM 7 CD1 LEU A 1 -15.145 0.190 -2.669 1.00 0.00 C ATOM 8 CD2 LEU A 1 -15.803 1.985 -1.062 1.00 0.00 C ATOM 0 H1 LEU A 1 -18.335 4.062 -3.561 1.00 0.00 H new ATOM 0 H2 LEU A 1 -17.599 4.023 -5.091 1.00 0.00 H new ATOM 0 H3 LEU A 1 -17.784 2.589 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 1 -16.443 4.165 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -15.482 2.094 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -14.424 2.775 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 1 -16.985 1.273 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.493 -0.552 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -15.291 -0.189 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.085 0.385 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -16.145 1.215 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.760 2.223 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -16.412 2.880 -0.937 1.00 0.00 H new ATOM 22 N PRO A 2 -14.451 5.456 -3.624 1.00 0.00 N ATOM 23 CA PRO A 2 -13.562 6.440 -4.251 1.00 0.00 C ATOM 24 C PRO A 2 -12.893 5.898 -5.508 1.00 0.00 C ATOM 25 O PRO A 2 -12.858 4.684 -5.728 1.00 0.00 O ATOM 26 CB PRO A 2 -12.518 6.718 -3.169 1.00 0.00 C ATOM 27 CG PRO A 2 -13.202 6.369 -1.895 1.00 0.00 C ATOM 28 CD PRO A 2 -14.065 5.189 -2.231 1.00 0.00 C ATOM 0 HA PRO A 2 -14.104 7.328 -4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.622 6.115 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.204 7.762 -3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.482 6.122 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.799 7.203 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.521 4.249 -2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.934 5.123 -1.576 1.00 0.00 H new ATOM 36 N ARG A 3 -12.337 6.809 -6.299 1.00 0.00 N ATOM 37 CA ARG A 3 -11.822 6.509 -7.635 1.00 0.00 C ATOM 38 C ARG A 3 -10.950 5.256 -7.673 1.00 0.00 C ATOM 39 O ARG A 3 -11.136 4.393 -8.527 1.00 0.00 O ATOM 40 CB ARG A 3 -11.017 7.700 -8.149 1.00 0.00 C ATOM 41 CG ARG A 3 -10.518 7.538 -9.574 1.00 0.00 C ATOM 42 CD ARG A 3 -9.635 8.703 -9.976 1.00 0.00 C ATOM 43 NE ARG A 3 -10.286 9.988 -9.726 1.00 0.00 N ATOM 44 CZ ARG A 3 -9.651 11.079 -9.298 1.00 0.00 C ATOM 45 NH1 ARG A 3 -8.335 11.070 -9.131 1.00 0.00 N ATOM 46 NH2 ARG A 3 -10.335 12.185 -9.043 1.00 0.00 N ATOM 0 H ARG A 3 -12.229 7.787 -6.030 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.685 6.319 -8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.635 8.596 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.162 7.859 -7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.960 6.606 -9.664 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.367 7.468 -10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.697 8.657 -9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.385 8.622 -11.034 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.291 10.054 -9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.801 10.224 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.857 11.909 -8.803 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.346 12.201 -9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.850 13.020 -8.715 1.00 0.00 H new ATOM 60 N ASP A 4 -10.002 5.153 -6.755 1.00 0.00 N ATOM 61 CA ASP A 4 -9.019 4.076 -6.812 1.00 0.00 C ATOM 62 C ASP A 4 -9.168 3.064 -5.684 1.00 0.00 C ATOM 63 O ASP A 4 -8.308 2.203 -5.512 1.00 0.00 O ATOM 64 CB ASP A 4 -7.600 4.640 -6.806 1.00 0.00 C ATOM 65 CG ASP A 4 -7.246 5.331 -8.102 1.00 0.00 C ATOM 66 OD1 ASP A 4 -7.154 4.642 -9.139 1.00 0.00 O ATOM 67 OD2 ASP A 4 -7.040 6.561 -8.093 1.00 0.00 O ATOM 0 H ASP A 4 -9.890 5.793 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.207 3.548 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.497 5.346 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.892 3.831 -6.624 1.00 0.00 H new ATOM 72 N THR A 5 -10.244 3.147 -4.917 1.00 0.00 N ATOM 73 CA THR A 5 -10.428 2.228 -3.801 1.00 0.00 C ATOM 74 C THR A 5 -10.733 0.811 -4.283 1.00 0.00 C ATOM 75 O THR A 5 -10.141 -0.153 -3.794 1.00 0.00 O ATOM 76 CB THR A 5 -11.534 2.713 -2.850 1.00 0.00 C ATOM 77 OG1 THR A 5 -11.186 4.009 -2.350 1.00 0.00 O ATOM 78 CG2 THR A 5 -11.716 1.754 -1.683 1.00 0.00 C ATOM 0 H THR A 5 -10.993 3.829 -5.042 1.00 0.00 H new ATOM 0 HA THR A 5 -9.487 2.206 -3.252 1.00 0.00 H new ATOM 0 HB THR A 5 -12.472 2.758 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.265 3.994 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.505 2.124 -1.028 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.990 0.769 -2.061 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.784 1.681 -1.123 1.00 0.00 H new ATOM 86 N SER A 6 -11.622 0.687 -5.264 1.00 0.00 N ATOM 87 CA SER A 6 -12.001 -0.620 -5.789 1.00 0.00 C ATOM 88 C SER A 6 -10.811 -1.274 -6.497 1.00 0.00 C ATOM 89 O SER A 6 -10.708 -2.499 -6.572 1.00 0.00 O ATOM 90 CB SER A 6 -13.194 -0.476 -6.736 1.00 0.00 C ATOM 91 OG SER A 6 -13.662 -1.737 -7.188 1.00 0.00 O ATOM 0 H SER A 6 -12.092 1.474 -5.711 1.00 0.00 H new ATOM 0 HA SER A 6 -12.296 -1.266 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.001 0.050 -6.227 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.907 0.134 -7.593 1.00 0.00 H new ATOM 0 HG SER A 6 -14.425 -1.606 -7.789 1.00 0.00 H new ATOM 97 N ARG A 7 -9.910 -0.444 -7.006 1.00 0.00 N ATOM 98 CA ARG A 7 -8.669 -0.923 -7.594 1.00 0.00 C ATOM 99 C ARG A 7 -7.699 -1.346 -6.499 1.00 0.00 C ATOM 100 O ARG A 7 -7.122 -2.432 -6.542 1.00 0.00 O ATOM 101 CB ARG A 7 -8.028 0.170 -8.463 1.00 0.00 C ATOM 102 CG ARG A 7 -6.625 -0.178 -8.947 1.00 0.00 C ATOM 103 CD ARG A 7 -5.556 0.694 -8.299 1.00 0.00 C ATOM 104 NE ARG A 7 -5.576 2.075 -8.787 1.00 0.00 N ATOM 105 CZ ARG A 7 -4.479 2.771 -9.107 1.00 0.00 C ATOM 106 NH1 ARG A 7 -3.280 2.200 -9.065 1.00 0.00 N ATOM 107 NH2 ARG A 7 -4.588 4.036 -9.489 1.00 0.00 N ATOM 0 H ARG A 7 -10.018 0.570 -7.023 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.896 -1.784 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.666 0.355 -9.327 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.987 1.098 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.417 -1.226 -8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.578 -0.062 -10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.699 0.693 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.575 0.260 -8.491 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.481 2.534 -8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.190 1.223 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.450 2.739 -9.311 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.507 4.476 -9.538 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.753 4.569 -9.733 1.00 0.00 H new ATOM 121 N CYS A 8 -7.552 -0.486 -5.509 1.00 0.00 N ATOM 122 CA CYS A 8 -6.544 -0.659 -4.476 1.00 0.00 C ATOM 123 C CYS A 8 -6.831 -1.870 -3.606 1.00 0.00 C ATOM 124 O CYS A 8 -5.920 -2.612 -3.265 1.00 0.00 O ATOM 125 CB CYS A 8 -6.494 0.572 -3.591 1.00 0.00 C ATOM 126 SG CYS A 8 -4.845 0.936 -2.906 1.00 0.00 S ATOM 0 H CYS A 8 -8.125 0.350 -5.397 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.588 -0.809 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.834 1.433 -4.167 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.196 0.442 -2.767 1.00 0.00 H new ATOM 131 N VAL A 9 -8.103 -2.064 -3.268 1.00 0.00 N ATOM 132 CA VAL A 9 -8.515 -3.094 -2.314 1.00 0.00 C ATOM 133 C VAL A 9 -7.970 -4.479 -2.680 1.00 0.00 C ATOM 134 O VAL A 9 -7.591 -5.257 -1.803 1.00 0.00 O ATOM 135 CB VAL A 9 -10.056 -3.135 -2.185 1.00 0.00 C ATOM 136 CG1 VAL A 9 -10.707 -3.415 -3.528 1.00 0.00 C ATOM 137 CG2 VAL A 9 -10.494 -4.155 -1.145 1.00 0.00 C ATOM 0 H VAL A 9 -8.876 -1.515 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.086 -2.824 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.387 -2.153 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.790 -3.439 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.436 -2.630 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.362 -4.378 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.582 -4.161 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.143 -5.145 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.071 -3.891 -0.176 1.00 0.00 H new ATOM 147 N GLY A 10 -7.900 -4.772 -3.970 1.00 0.00 N ATOM 148 CA GLY A 10 -7.379 -6.053 -4.402 1.00 0.00 C ATOM 149 C GLY A 10 -5.868 -6.051 -4.520 1.00 0.00 C ATOM 150 O GLY A 10 -5.229 -7.097 -4.429 1.00 0.00 O ATOM 0 H GLY A 10 -8.193 -4.149 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.685 -6.824 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.816 -6.314 -5.366 1.00 0.00 H new ATOM 154 N TYR A 11 -5.293 -4.871 -4.715 1.00 0.00 N ATOM 155 CA TYR A 11 -3.862 -4.750 -4.943 1.00 0.00 C ATOM 156 C TYR A 11 -3.095 -4.492 -3.652 1.00 0.00 C ATOM 157 O TYR A 11 -2.267 -5.301 -3.231 1.00 0.00 O ATOM 158 CB TYR A 11 -3.581 -3.633 -5.947 1.00 0.00 C ATOM 159 CG TYR A 11 -3.889 -4.013 -7.375 1.00 0.00 C ATOM 160 CD1 TYR A 11 -3.467 -5.229 -7.892 1.00 0.00 C ATOM 161 CD2 TYR A 11 -4.589 -3.153 -8.206 1.00 0.00 C ATOM 162 CE1 TYR A 11 -3.737 -5.579 -9.198 1.00 0.00 C ATOM 163 CE2 TYR A 11 -4.865 -3.496 -9.515 1.00 0.00 C ATOM 164 CZ TYR A 11 -4.437 -4.711 -10.006 1.00 0.00 C ATOM 165 OH TYR A 11 -4.708 -5.059 -11.309 1.00 0.00 O ATOM 0 H TYR A 11 -5.798 -3.985 -4.719 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.516 -5.702 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.171 -2.757 -5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.532 -3.346 -5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.918 -5.913 -7.261 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.924 -2.200 -7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.401 -6.529 -9.585 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.413 -2.816 -10.150 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.210 -4.338 -11.743 1.00 0.00 H new ATOM 175 N HIS A 12 -3.387 -3.361 -3.024 1.00 0.00 N ATOM 176 CA HIS A 12 -2.590 -2.877 -1.906 1.00 0.00 C ATOM 177 C HIS A 12 -3.414 -2.873 -0.626 1.00 0.00 C ATOM 178 O HIS A 12 -3.034 -2.252 0.364 1.00 0.00 O ATOM 179 CB HIS A 12 -2.060 -1.462 -2.185 1.00 0.00 C ATOM 180 CG HIS A 12 -1.723 -1.196 -3.621 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.325 -0.199 -4.361 1.00 0.00 N ATOM 182 CD2 HIS A 12 -0.845 -1.799 -4.454 1.00 0.00 C ATOM 183 CE1 HIS A 12 -1.833 -0.205 -5.586 1.00 0.00 C ATOM 184 NE2 HIS A 12 -0.934 -1.164 -5.665 1.00 0.00 N ATOM 0 H HIS A 12 -4.173 -2.760 -3.271 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.742 -3.551 -1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.807 -0.737 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.169 -1.295 -1.579 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.195 -2.626 -4.210 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.119 0.462 -6.386 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.390 -1.397 -6.496 1.00 0.00 H new ATOM 193 N GLY A 13 -4.546 -3.562 -0.659 1.00 0.00 N ATOM 194 CA GLY A 13 -5.354 -3.722 0.533 1.00 0.00 C ATOM 195 C GLY A 13 -6.531 -2.772 0.592 1.00 0.00 C ATOM 196 O GLY A 13 -6.726 -1.952 -0.304 1.00 0.00 O ATOM 0 H GLY A 13 -4.920 -4.014 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.721 -4.747 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.727 -3.568 1.411 1.00 0.00 H new ATOM 200 N TYR A 14 -7.309 -2.874 1.661 1.00 0.00 N ATOM 201 CA TYR A 14 -8.523 -2.083 1.803 1.00 0.00 C ATOM 202 C TYR A 14 -8.180 -0.706 2.347 1.00 0.00 C ATOM 203 O TYR A 14 -7.159 -0.529 3.004 1.00 0.00 O ATOM 204 CB TYR A 14 -9.542 -2.799 2.699 1.00 0.00 C ATOM 205 CG TYR A 14 -9.038 -3.128 4.086 1.00 0.00 C ATOM 206 CD1 TYR A 14 -9.269 -2.268 5.148 1.00 0.00 C ATOM 207 CD2 TYR A 14 -8.337 -4.302 4.334 1.00 0.00 C ATOM 208 CE1 TYR A 14 -8.818 -2.563 6.419 1.00 0.00 C ATOM 209 CE2 TYR A 14 -7.882 -4.603 5.601 1.00 0.00 C ATOM 210 CZ TYR A 14 -8.125 -3.732 6.640 1.00 0.00 C ATOM 211 OH TYR A 14 -7.676 -4.035 7.904 1.00 0.00 O ATOM 0 H TYR A 14 -7.120 -3.499 2.445 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.982 -1.962 0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.430 -2.174 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.850 -3.723 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.812 -1.350 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.146 -4.989 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.008 -1.881 7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.337 -5.519 5.778 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.207 -4.896 7.887 1.00 0.00 H new ATOM 221 N CYS A 15 -9.036 0.264 2.096 1.00 0.00 N ATOM 222 CA CYS A 15 -8.669 1.647 2.314 1.00 0.00 C ATOM 223 C CYS A 15 -9.450 2.268 3.465 1.00 0.00 C ATOM 224 O CYS A 15 -10.600 2.691 3.312 1.00 0.00 O ATOM 225 CB CYS A 15 -8.878 2.440 1.037 1.00 0.00 C ATOM 226 SG CYS A 15 -8.061 4.065 1.038 1.00 0.00 S ATOM 0 H CYS A 15 -9.983 0.122 1.744 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.615 1.677 2.590 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.506 1.858 0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.947 2.582 0.880 1.00 0.00 H new ATOM 231 N ILE A 16 -8.804 2.311 4.615 1.00 0.00 N ATOM 232 CA ILE A 16 -9.399 2.838 5.828 1.00 0.00 C ATOM 233 C ILE A 16 -9.024 4.295 6.006 1.00 0.00 C ATOM 234 O ILE A 16 -8.385 4.874 5.137 1.00 0.00 O ATOM 235 CB ILE A 16 -8.986 2.029 7.072 1.00 0.00 C ATOM 236 CG1 ILE A 16 -7.466 2.040 7.257 1.00 0.00 C ATOM 237 CG2 ILE A 16 -9.500 0.611 6.947 1.00 0.00 C ATOM 238 CD1 ILE A 16 -6.996 1.259 8.469 1.00 0.00 C ATOM 0 H ILE A 16 -7.847 1.980 4.734 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.481 2.753 5.724 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.427 2.493 7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.997 1.626 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.127 3.072 7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.207 0.039 7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.587 0.624 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.076 0.148 6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.909 1.311 8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.436 1.686 9.370 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.304 0.218 8.373 1.00 0.00 H new ATOM 250 N ARG A 17 -9.397 4.876 7.128 1.00 0.00 N ATOM 251 CA ARG A 17 -9.126 6.282 7.379 1.00 0.00 C ATOM 252 C ARG A 17 -7.628 6.558 7.565 1.00 0.00 C ATOM 253 O ARG A 17 -7.069 7.447 6.934 1.00 0.00 O ATOM 254 CB ARG A 17 -9.886 6.751 8.625 1.00 0.00 C ATOM 255 CG ARG A 17 -9.517 5.979 9.884 1.00 0.00 C ATOM 256 CD ARG A 17 -10.258 6.483 11.110 1.00 0.00 C ATOM 257 NE ARG A 17 -9.955 5.672 12.291 1.00 0.00 N ATOM 258 CZ ARG A 17 -9.794 6.167 13.519 1.00 0.00 C ATOM 259 NH1 ARG A 17 -9.926 7.470 13.740 1.00 0.00 N ATOM 260 NH2 ARG A 17 -9.502 5.355 14.527 1.00 0.00 N ATOM 0 H ARG A 17 -9.889 4.398 7.883 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.464 6.836 6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.687 7.810 8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.957 6.651 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.740 4.922 9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.443 6.058 10.054 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.985 7.521 11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.331 6.465 10.921 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.861 4.664 12.167 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.152 8.098 12.968 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.802 7.843 14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.401 4.353 14.362 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.379 5.732 15.467 1.00 0.00 H new ATOM 274 N SER A 18 -6.972 5.786 8.417 1.00 0.00 N ATOM 275 CA SER A 18 -5.637 6.142 8.868 1.00 0.00 C ATOM 276 C SER A 18 -4.730 4.928 8.986 1.00 0.00 C ATOM 277 O SER A 18 -5.099 3.820 8.606 1.00 0.00 O ATOM 278 CB SER A 18 -5.738 6.868 10.211 1.00 0.00 C ATOM 279 OG SER A 18 -6.528 8.042 10.100 1.00 0.00 O ATOM 0 H SER A 18 -7.338 4.917 8.807 1.00 0.00 H new ATOM 0 HA SER A 18 -5.189 6.799 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.174 6.202 10.956 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.740 7.130 10.562 1.00 0.00 H new ATOM 0 HG SER A 18 -6.578 8.486 10.972 1.00 0.00 H new ATOM 285 N LYS A 19 -3.548 5.154 9.548 1.00 0.00 N ATOM 286 CA LYS A 19 -2.493 4.143 9.610 1.00 0.00 C ATOM 287 C LYS A 19 -2.739 3.185 10.766 1.00 0.00 C ATOM 288 O LYS A 19 -1.823 2.515 11.247 1.00 0.00 O ATOM 289 CB LYS A 19 -1.134 4.822 9.788 1.00 0.00 C ATOM 290 CG LYS A 19 -1.035 6.175 9.106 1.00 0.00 C ATOM 291 CD LYS A 19 -1.153 6.066 7.595 1.00 0.00 C ATOM 292 CE LYS A 19 -1.518 7.403 6.971 1.00 0.00 C ATOM 293 NZ LYS A 19 -0.535 8.466 7.314 1.00 0.00 N ATOM 0 H LYS A 19 -3.291 6.044 9.975 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.499 3.578 8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.936 4.946 10.853 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.356 4.168 9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.821 6.829 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.083 6.640 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.209 5.714 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.910 5.325 7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.571 7.295 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.509 7.703 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.733 9.317 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.610 8.695 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.427 8.130 7.106 1.00 0.00 H new ATOM 307 N VAL A 20 -3.986 3.134 11.196 1.00 0.00 N ATOM 308 CA VAL A 20 -4.412 2.277 12.304 1.00 0.00 C ATOM 309 C VAL A 20 -4.609 0.835 11.822 1.00 0.00 C ATOM 310 O VAL A 20 -5.496 0.117 12.285 1.00 0.00 O ATOM 311 CB VAL A 20 -5.723 2.797 12.944 1.00 0.00 C ATOM 312 CG1 VAL A 20 -5.951 2.166 14.310 1.00 0.00 C ATOM 313 CG2 VAL A 20 -5.704 4.313 13.051 1.00 0.00 C ATOM 0 H VAL A 20 -4.741 3.686 10.789 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.627 2.299 13.059 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.551 2.509 12.296 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.878 2.548 14.737 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.020 1.083 14.204 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.119 2.414 14.969 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.634 4.658 13.503 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.863 4.624 13.670 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.602 4.747 12.056 1.00 0.00 H new ATOM 323 N CYS A 21 -3.799 0.435 10.857 1.00 0.00 N ATOM 324 CA CYS A 21 -3.888 -0.889 10.270 1.00 0.00 C ATOM 325 C CYS A 21 -3.583 -1.974 11.307 1.00 0.00 C ATOM 326 O CYS A 21 -2.654 -1.840 12.107 1.00 0.00 O ATOM 327 CB CYS A 21 -2.897 -0.982 9.115 1.00 0.00 C ATOM 328 SG CYS A 21 -2.989 0.423 7.958 1.00 0.00 S ATOM 0 H CYS A 21 -3.063 1.018 10.460 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.904 -1.049 9.908 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.886 -1.044 9.519 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.078 -1.906 8.566 1.00 0.00 H new ATOM 333 N PRO A 22 -4.384 -3.052 11.315 1.00 0.00 N ATOM 334 CA PRO A 22 -4.147 -4.221 12.172 1.00 0.00 C ATOM 335 C PRO A 22 -2.920 -5.004 11.714 1.00 0.00 C ATOM 336 O PRO A 22 -2.195 -4.567 10.824 1.00 0.00 O ATOM 337 CB PRO A 22 -5.417 -5.056 11.999 1.00 0.00 C ATOM 338 CG PRO A 22 -5.953 -4.662 10.667 1.00 0.00 C ATOM 339 CD PRO A 22 -5.593 -3.213 10.488 1.00 0.00 C ATOM 0 HA PRO A 22 -3.952 -3.947 13.209 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.197 -6.123 12.037 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.137 -4.850 12.791 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.519 -5.273 9.875 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.033 -4.804 10.623 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.398 -2.974 9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.397 -2.556 10.821 1.00 0.00 H new ATOM 347 N LYS A 23 -2.664 -6.143 12.331 1.00 0.00 N ATOM 348 CA LYS A 23 -1.523 -6.950 11.961 1.00 0.00 C ATOM 349 C LYS A 23 -1.979 -8.336 11.496 1.00 0.00 C ATOM 350 O LYS A 23 -2.938 -8.892 12.034 1.00 0.00 O ATOM 351 CB LYS A 23 -0.544 -7.004 13.153 1.00 0.00 C ATOM 352 CG LYS A 23 0.268 -8.284 13.288 1.00 0.00 C ATOM 353 CD LYS A 23 -0.521 -9.350 14.027 1.00 0.00 C ATOM 354 CE LYS A 23 0.288 -10.621 14.221 1.00 0.00 C ATOM 355 NZ LYS A 23 1.452 -10.407 15.123 1.00 0.00 N ATOM 0 H LYS A 23 -3.230 -6.527 13.088 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.996 -6.505 11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.147 -6.165 13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.112 -6.858 14.072 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.544 -8.650 12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.195 -8.077 13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.830 -8.965 14.999 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.430 -9.580 13.471 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.353 -11.400 14.634 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.640 -10.978 13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.867 -11.326 15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.166 -9.828 14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.138 -9.917 15.985 1.00 0.00 H new ATOM 369 N PRO A 24 -1.318 -8.899 10.469 1.00 0.00 N ATOM 370 CA PRO A 24 -0.276 -8.209 9.709 1.00 0.00 C ATOM 371 C PRO A 24 -0.845 -7.350 8.579 1.00 0.00 C ATOM 372 O PRO A 24 -1.222 -7.865 7.531 1.00 0.00 O ATOM 373 CB PRO A 24 0.530 -9.372 9.139 1.00 0.00 C ATOM 374 CG PRO A 24 -0.475 -10.453 8.918 1.00 0.00 C ATOM 375 CD PRO A 24 -1.560 -10.256 9.950 1.00 0.00 C ATOM 0 HA PRO A 24 0.299 -7.514 10.322 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.024 -9.094 8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.310 -9.691 9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.886 -10.399 7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.015 -11.436 9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.552 -10.343 9.507 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.498 -11.003 10.742 1.00 0.00 H new ATOM 383 N PHE A 25 -0.868 -6.044 8.772 1.00 0.00 N ATOM 384 CA PHE A 25 -1.332 -5.124 7.741 1.00 0.00 C ATOM 385 C PHE A 25 -0.489 -3.869 7.783 1.00 0.00 C ATOM 386 O PHE A 25 -0.124 -3.397 8.860 1.00 0.00 O ATOM 387 CB PHE A 25 -2.818 -4.764 7.925 1.00 0.00 C ATOM 388 CG PHE A 25 -3.766 -5.885 7.614 1.00 0.00 C ATOM 389 CD1 PHE A 25 -4.493 -5.881 6.439 1.00 0.00 C ATOM 390 CD2 PHE A 25 -3.918 -6.948 8.488 1.00 0.00 C ATOM 391 CE1 PHE A 25 -5.355 -6.914 6.141 1.00 0.00 C ATOM 392 CE2 PHE A 25 -4.780 -7.982 8.195 1.00 0.00 C ATOM 393 CZ PHE A 25 -5.498 -7.964 7.020 1.00 0.00 C ATOM 0 H PHE A 25 -0.570 -5.592 9.636 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.231 -5.614 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.978 -4.443 8.954 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.056 -3.914 7.286 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.384 -5.059 5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.355 -6.967 9.409 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.918 -6.900 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.892 -8.805 8.885 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.174 -8.774 6.788 1.00 0.00 H new ATOM 403 N ALA A 26 -0.169 -3.336 6.623 1.00 0.00 N ATOM 404 CA ALA A 26 0.678 -2.157 6.557 1.00 0.00 C ATOM 405 C ALA A 26 -0.031 -1.002 5.875 1.00 0.00 C ATOM 406 O ALA A 26 -0.713 -1.193 4.864 1.00 0.00 O ATOM 407 CB ALA A 26 1.981 -2.468 5.839 1.00 0.00 C ATOM 0 H ALA A 26 -0.477 -3.694 5.719 1.00 0.00 H new ATOM 0 HA ALA A 26 0.903 -1.859 7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.599 -1.571 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.514 -3.253 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.766 -2.803 4.824 1.00 0.00 H new ATOM 413 N ALA A 27 0.102 0.178 6.471 1.00 0.00 N ATOM 414 CA ALA A 27 -0.342 1.417 5.860 1.00 0.00 C ATOM 415 C ALA A 27 0.409 1.665 4.557 1.00 0.00 C ATOM 416 O ALA A 27 1.511 2.221 4.556 1.00 0.00 O ATOM 417 CB ALA A 27 -0.115 2.569 6.828 1.00 0.00 C ATOM 0 H ALA A 27 0.522 0.298 7.393 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.406 1.343 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.448 3.500 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.680 2.392 7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.946 2.641 7.065 1.00 0.00 H new ATOM 423 N PHE A 28 -0.184 1.250 3.453 1.00 0.00 N ATOM 424 CA PHE A 28 0.455 1.367 2.160 1.00 0.00 C ATOM 425 C PHE A 28 -0.019 2.625 1.456 1.00 0.00 C ATOM 426 O PHE A 28 -1.010 2.609 0.716 1.00 0.00 O ATOM 427 CB PHE A 28 0.169 0.124 1.309 1.00 0.00 C ATOM 428 CG PHE A 28 1.384 -0.708 1.034 1.00 0.00 C ATOM 429 CD1 PHE A 28 1.354 -2.076 1.226 1.00 0.00 C ATOM 430 CD2 PHE A 28 2.556 -0.120 0.592 1.00 0.00 C ATOM 431 CE1 PHE A 28 2.471 -2.846 0.983 1.00 0.00 C ATOM 432 CE2 PHE A 28 3.676 -0.885 0.348 1.00 0.00 C ATOM 433 CZ PHE A 28 3.634 -2.249 0.543 1.00 0.00 C ATOM 0 H PHE A 28 -1.112 0.827 3.429 1.00 0.00 H new ATOM 0 HA PHE A 28 1.533 1.439 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.574 -0.490 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.269 0.436 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.445 -2.547 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.593 0.948 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.436 -3.914 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.586 -0.416 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.511 -2.850 0.351 1.00 0.00 H new ATOM 443 N GLY A 29 0.692 3.718 1.716 1.00 0.00 N ATOM 444 CA GLY A 29 0.401 4.985 1.075 1.00 0.00 C ATOM 445 C GLY A 29 -1.058 5.366 1.179 1.00 0.00 C ATOM 446 O GLY A 29 -1.668 5.246 2.243 1.00 0.00 O ATOM 0 H GLY A 29 1.475 3.746 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.010 5.766 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.685 4.930 0.024 1.00 0.00 H new ATOM 450 N THR A 30 -1.612 5.817 0.071 1.00 0.00 N ATOM 451 CA THR A 30 -3.020 6.144 -0.009 1.00 0.00 C ATOM 452 C THR A 30 -3.632 5.422 -1.210 1.00 0.00 C ATOM 453 O THR A 30 -2.905 4.994 -2.108 1.00 0.00 O ATOM 454 CB THR A 30 -3.216 7.671 -0.150 1.00 0.00 C ATOM 455 OG1 THR A 30 -2.605 8.131 -1.365 1.00 0.00 O ATOM 456 CG2 THR A 30 -2.595 8.409 1.033 1.00 0.00 C ATOM 0 H THR A 30 -1.099 5.967 -0.798 1.00 0.00 H new ATOM 0 HA THR A 30 -3.516 5.821 0.906 1.00 0.00 H new ATOM 0 HB THR A 30 -4.286 7.876 -0.172 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.734 9.099 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.745 9.482 0.912 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.069 8.078 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.527 8.195 1.076 1.00 0.00 H new ATOM 464 N CYS A 31 -4.944 5.242 -1.226 1.00 0.00 N ATOM 465 CA CYS A 31 -5.580 4.571 -2.354 1.00 0.00 C ATOM 466 C CYS A 31 -6.007 5.575 -3.420 1.00 0.00 C ATOM 467 O CYS A 31 -5.422 5.639 -4.498 1.00 0.00 O ATOM 468 CB CYS A 31 -6.782 3.746 -1.891 1.00 0.00 C ATOM 469 SG CYS A 31 -8.049 4.707 -0.996 1.00 0.00 S ATOM 0 H CYS A 31 -5.580 5.543 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.846 3.896 -2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.244 3.278 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.429 2.941 -1.246 1.00 0.00 H new ATOM 474 N SER A 32 -7.034 6.347 -3.106 1.00 0.00 N ATOM 475 CA SER A 32 -7.532 7.370 -3.999 1.00 0.00 C ATOM 476 C SER A 32 -7.252 8.733 -3.390 1.00 0.00 C ATOM 477 O SER A 32 -6.459 9.518 -3.913 1.00 0.00 O ATOM 478 CB SER A 32 -9.035 7.172 -4.222 1.00 0.00 C ATOM 479 OG SER A 32 -9.507 7.918 -5.329 1.00 0.00 O ATOM 0 H SER A 32 -7.543 6.279 -2.225 1.00 0.00 H new ATOM 0 HA SER A 32 -7.032 7.303 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.242 6.114 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.578 7.471 -3.325 1.00 0.00 H new ATOM 0 HG SER A 32 -9.636 8.852 -5.063 1.00 0.00 H new ATOM 485 N TRP A 33 -7.904 8.995 -2.263 1.00 0.00 N ATOM 486 CA TRP A 33 -7.696 10.227 -1.528 1.00 0.00 C ATOM 487 C TRP A 33 -6.580 10.013 -0.516 1.00 0.00 C ATOM 488 O TRP A 33 -6.266 8.875 -0.162 1.00 0.00 O ATOM 489 CB TRP A 33 -8.978 10.656 -0.797 1.00 0.00 C ATOM 490 CG TRP A 33 -10.249 10.424 -1.567 1.00 0.00 C ATOM 491 CD1 TRP A 33 -11.416 9.931 -1.061 1.00 0.00 C ATOM 492 CD2 TRP A 33 -10.489 10.662 -2.963 1.00 0.00 C ATOM 493 NE1 TRP A 33 -12.364 9.848 -2.049 1.00 0.00 N ATOM 494 CE2 TRP A 33 -11.820 10.287 -3.225 1.00 0.00 C ATOM 495 CE3 TRP A 33 -9.711 11.151 -4.017 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -12.387 10.388 -4.491 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -10.278 11.248 -5.274 1.00 0.00 C ATOM 498 CH2 TRP A 33 -11.602 10.869 -5.500 1.00 0.00 C ATOM 0 H TRP A 33 -8.584 8.363 -1.840 1.00 0.00 H new ATOM 0 HA TRP A 33 -7.425 11.015 -2.230 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -9.039 10.117 0.148 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -8.904 11.716 -0.555 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -11.571 9.647 -0.031 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -13.320 9.513 -1.927 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -8.686 11.448 -3.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -13.411 10.097 -4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -9.686 11.624 -6.096 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -12.015 10.958 -6.494 1.00 0.00 H new ATOM 509 N ARG A 34 -5.994 11.102 -0.047 1.00 0.00 N ATOM 510 CA ARG A 34 -4.891 11.029 0.897 1.00 0.00 C ATOM 511 C ARG A 34 -5.412 10.793 2.308 1.00 0.00 C ATOM 512 O ARG A 34 -4.756 10.161 3.136 1.00 0.00 O ATOM 513 CB ARG A 34 -4.069 12.320 0.833 1.00 0.00 C ATOM 514 CG ARG A 34 -2.850 12.324 1.740 1.00 0.00 C ATOM 515 CD ARG A 34 -3.196 12.705 3.174 1.00 0.00 C ATOM 516 NE ARG A 34 -3.666 14.085 3.302 1.00 0.00 N ATOM 517 CZ ARG A 34 -4.191 14.585 4.424 1.00 0.00 C ATOM 518 NH1 ARG A 34 -4.339 13.810 5.495 1.00 0.00 N ATOM 519 NH2 ARG A 34 -4.570 15.857 4.475 1.00 0.00 N ATOM 0 H ARG A 34 -6.265 12.051 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.249 10.190 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.744 12.481 -0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.710 13.160 1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.390 11.336 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.111 13.024 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.965 12.029 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.317 12.567 3.803 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.589 14.698 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.051 12.832 5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.740 14.194 6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.461 16.455 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.971 16.236 5.333 1.00 0.00 H new ATOM 533 N GLN A 35 -6.592 11.325 2.566 1.00 0.00 N ATOM 534 CA GLN A 35 -7.249 11.219 3.869 1.00 0.00 C ATOM 535 C GLN A 35 -7.468 9.771 4.307 1.00 0.00 C ATOM 536 O GLN A 35 -7.847 9.522 5.447 1.00 0.00 O ATOM 537 CB GLN A 35 -8.594 11.926 3.817 1.00 0.00 C ATOM 538 CG GLN A 35 -9.479 11.408 2.701 1.00 0.00 C ATOM 539 CD GLN A 35 -10.794 12.153 2.584 1.00 0.00 C ATOM 540 OE1 GLN A 35 -11.361 12.259 1.499 1.00 0.00 O ATOM 541 NE2 GLN A 35 -11.296 12.663 3.694 1.00 0.00 N ATOM 0 H GLN A 35 -7.131 11.848 1.876 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.588 11.687 4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.105 11.798 4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.434 12.996 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.941 11.483 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.682 10.350 2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.796 12.555 4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.183 13.165 3.669 1.00 0.00 H new ATOM 550 N LYS A 36 -7.253 8.831 3.400 1.00 0.00 N ATOM 551 CA LYS A 36 -7.410 7.417 3.707 1.00 0.00 C ATOM 552 C LYS A 36 -6.165 6.627 3.317 1.00 0.00 C ATOM 553 O LYS A 36 -5.404 7.031 2.438 1.00 0.00 O ATOM 554 CB LYS A 36 -8.646 6.854 3.009 1.00 0.00 C ATOM 555 CG LYS A 36 -8.755 7.246 1.547 1.00 0.00 C ATOM 556 CD LYS A 36 -10.192 7.203 1.044 1.00 0.00 C ATOM 557 CE LYS A 36 -10.841 5.844 1.263 1.00 0.00 C ATOM 558 NZ LYS A 36 -11.534 5.753 2.575 1.00 0.00 N ATOM 0 H LYS A 36 -6.968 9.023 2.440 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.544 7.318 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.631 5.767 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.537 7.197 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.355 8.251 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.142 6.575 0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.776 7.969 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.210 7.444 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.556 5.653 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.079 5.066 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.498 5.390 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.010 5.108 3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.579 6.697 3.010 1.00 0.00 H new ATOM 572 N THR A 37 -5.983 5.493 3.971 1.00 0.00 N ATOM 573 CA THR A 37 -4.782 4.688 3.824 1.00 0.00 C ATOM 574 C THR A 37 -5.112 3.325 3.217 1.00 0.00 C ATOM 575 O THR A 37 -6.155 2.747 3.520 1.00 0.00 O ATOM 576 CB THR A 37 -4.125 4.488 5.201 1.00 0.00 C ATOM 577 OG1 THR A 37 -3.964 5.763 5.840 1.00 0.00 O ATOM 578 CG2 THR A 37 -2.775 3.802 5.076 1.00 0.00 C ATOM 0 H THR A 37 -6.666 5.103 4.621 1.00 0.00 H new ATOM 0 HA THR A 37 -4.096 5.210 3.157 1.00 0.00 H new ATOM 0 HB THR A 37 -4.772 3.848 5.801 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.531 6.387 5.220 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.338 3.676 6.067 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.905 2.825 4.610 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.112 4.412 4.462 1.00 0.00 H new ATOM 586 N CYS A 38 -4.228 2.816 2.365 1.00 0.00 N ATOM 587 CA CYS A 38 -4.444 1.531 1.722 1.00 0.00 C ATOM 588 C CYS A 38 -3.739 0.441 2.530 1.00 0.00 C ATOM 589 O CYS A 38 -2.519 0.388 2.562 1.00 0.00 O ATOM 590 CB CYS A 38 -3.902 1.590 0.291 1.00 0.00 C ATOM 591 SG CYS A 38 -4.564 0.323 -0.837 1.00 0.00 S ATOM 0 H CYS A 38 -3.356 3.276 2.106 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.508 1.299 1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.121 2.574 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.817 1.493 0.325 1.00 0.00 H new ATOM 596 N CYS A 39 -4.501 -0.405 3.203 1.00 0.00 N ATOM 597 CA CYS A 39 -3.927 -1.376 4.127 1.00 0.00 C ATOM 598 C CYS A 39 -4.120 -2.803 3.640 1.00 0.00 C ATOM 599 O CYS A 39 -5.242 -3.309 3.597 1.00 0.00 O ATOM 600 CB CYS A 39 -4.562 -1.218 5.504 1.00 0.00 C ATOM 601 SG CYS A 39 -4.295 0.419 6.259 1.00 0.00 S ATOM 0 H CYS A 39 -5.518 -0.441 3.129 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.856 -1.183 4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.634 -1.398 5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.160 -1.983 6.168 1.00 0.00 H new ATOM 606 N VAL A 40 -3.022 -3.454 3.292 1.00 0.00 N ATOM 607 CA VAL A 40 -3.070 -4.836 2.837 1.00 0.00 C ATOM 608 C VAL A 40 -2.448 -5.755 3.877 1.00 0.00 C ATOM 609 O VAL A 40 -1.617 -5.318 4.680 1.00 0.00 O ATOM 610 CB VAL A 40 -2.337 -5.013 1.487 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.828 -4.939 1.660 1.00 0.00 C ATOM 612 CG2 VAL A 40 -2.757 -6.309 0.808 1.00 0.00 C ATOM 0 H VAL A 40 -2.086 -3.049 3.315 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.118 -5.100 2.696 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.628 -4.187 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.344 -5.067 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.557 -3.969 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.500 -5.728 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.228 -6.411 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.513 -7.153 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.831 -6.292 0.624 1.00 0.00 H new ATOM 622 N ASP A 41 -2.883 -7.010 3.887 1.00 0.00 N ATOM 623 CA ASP A 41 -2.288 -8.020 4.746 1.00 0.00 C ATOM 624 C ASP A 41 -0.877 -8.292 4.273 1.00 0.00 C ATOM 625 O ASP A 41 -0.648 -9.034 3.313 1.00 0.00 O ATOM 626 CB ASP A 41 -3.117 -9.302 4.742 1.00 0.00 C ATOM 627 CG ASP A 41 -2.563 -10.381 5.664 1.00 0.00 C ATOM 628 OD1 ASP A 41 -1.512 -10.984 5.341 1.00 0.00 O ATOM 629 OD2 ASP A 41 -3.195 -10.659 6.703 1.00 0.00 O ATOM 0 H ASP A 41 -3.649 -7.351 3.306 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.266 -7.653 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.138 -9.067 5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.165 -9.692 3.725 1.00 0.00 H new ATOM 634 N THR A 42 0.057 -7.656 4.935 1.00 0.00 N ATOM 635 CA THR A 42 1.437 -7.694 4.533 1.00 0.00 C ATOM 636 C THR A 42 2.170 -8.844 5.208 1.00 0.00 C ATOM 637 O THR A 42 2.753 -8.673 6.277 1.00 0.00 O ATOM 638 CB THR A 42 2.116 -6.356 4.883 1.00 0.00 C ATOM 639 OG1 THR A 42 1.785 -5.985 6.228 1.00 0.00 O ATOM 640 CG2 THR A 42 1.677 -5.255 3.923 1.00 0.00 C ATOM 0 H THR A 42 -0.121 -7.097 5.769 1.00 0.00 H new ATOM 0 HA THR A 42 1.479 -7.852 3.455 1.00 0.00 H new ATOM 0 HB THR A 42 3.195 -6.482 4.791 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.953 -6.742 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.170 -4.321 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.950 -5.530 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.596 -5.126 3.987 1.00 0.00 H new ATOM 648 N THR A 43 2.127 -10.019 4.593 1.00 0.00 N ATOM 649 CA THR A 43 2.825 -11.156 5.106 1.00 0.00 C ATOM 650 C THR A 43 3.991 -11.557 4.187 1.00 0.00 C ATOM 651 O THR A 43 5.150 -11.355 4.536 1.00 0.00 O ATOM 652 CB THR A 43 1.839 -12.322 5.272 1.00 0.00 C ATOM 653 OG1 THR A 43 0.907 -12.041 6.329 1.00 0.00 O ATOM 654 CG2 THR A 43 2.575 -13.602 5.549 1.00 0.00 C ATOM 0 H THR A 43 1.608 -10.194 3.733 1.00 0.00 H new ATOM 0 HA THR A 43 3.250 -10.899 6.076 1.00 0.00 H new ATOM 0 HB THR A 43 1.285 -12.440 4.341 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.082 -11.675 5.948 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.859 -14.416 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.246 -13.823 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.155 -13.497 6.466 1.00 0.00 H new ATOM 662 N SER A 44 3.675 -12.147 3.033 1.00 0.00 N ATOM 663 CA SER A 44 4.688 -12.577 2.067 1.00 0.00 C ATOM 664 C SER A 44 4.882 -11.580 0.913 1.00 0.00 C ATOM 665 O SER A 44 5.992 -11.119 0.650 1.00 0.00 O ATOM 666 CB SER A 44 4.309 -13.939 1.512 1.00 0.00 C ATOM 667 OG SER A 44 4.046 -14.859 2.561 1.00 0.00 O ATOM 0 H SER A 44 2.716 -12.339 2.743 1.00 0.00 H new ATOM 0 HA SER A 44 5.638 -12.630 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.429 -13.845 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.116 -14.318 0.885 1.00 0.00 H new ATOM 0 HG SER A 44 3.802 -15.728 2.180 1.00 0.00 H new ATOM 673 N ASP A 45 3.788 -11.271 0.217 1.00 0.00 N ATOM 674 CA ASP A 45 3.831 -10.477 -1.017 1.00 0.00 C ATOM 675 C ASP A 45 3.905 -8.982 -0.727 1.00 0.00 C ATOM 676 O ASP A 45 3.999 -8.169 -1.642 1.00 0.00 O ATOM 677 CB ASP A 45 2.628 -10.787 -1.918 1.00 0.00 C ATOM 678 CG ASP A 45 1.322 -10.221 -1.401 1.00 0.00 C ATOM 679 OD1 ASP A 45 0.812 -9.247 -1.995 1.00 0.00 O ATOM 680 OD2 ASP A 45 0.793 -10.752 -0.404 1.00 0.00 O ATOM 0 H ASP A 45 2.849 -11.561 0.489 1.00 0.00 H new ATOM 0 HA ASP A 45 4.741 -10.760 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.818 -10.388 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.531 -11.868 -2.021 1.00 0.00 H new ATOM 685 N PHE A 46 3.828 -8.650 0.557 1.00 0.00 N ATOM 686 CA PHE A 46 3.850 -7.268 1.071 1.00 0.00 C ATOM 687 C PHE A 46 4.906 -6.358 0.433 1.00 0.00 C ATOM 688 O PHE A 46 4.836 -5.140 0.556 1.00 0.00 O ATOM 689 CB PHE A 46 4.078 -7.305 2.564 1.00 0.00 C ATOM 690 CG PHE A 46 5.441 -7.765 2.956 1.00 0.00 C ATOM 691 CD1 PHE A 46 5.791 -9.068 2.751 1.00 0.00 C ATOM 692 CD2 PHE A 46 6.353 -6.910 3.526 1.00 0.00 C ATOM 693 CE1 PHE A 46 7.034 -9.537 3.101 1.00 0.00 C ATOM 694 CE2 PHE A 46 7.609 -7.357 3.886 1.00 0.00 C ATOM 695 CZ PHE A 46 7.953 -8.678 3.671 1.00 0.00 C ATOM 0 H PHE A 46 3.746 -9.348 1.297 1.00 0.00 H new ATOM 0 HA PHE A 46 2.884 -6.837 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.910 -6.308 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.338 -7.964 3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.077 -9.744 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.085 -5.877 3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.291 -10.572 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.319 -6.677 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.934 -9.036 3.947 1.00 0.00 H new ATOM 705 N HIS A 47 5.878 -6.954 -0.230 1.00 0.00 N ATOM 706 CA HIS A 47 6.909 -6.216 -0.985 1.00 0.00 C ATOM 707 C HIS A 47 6.298 -5.268 -2.034 1.00 0.00 C ATOM 708 O HIS A 47 7.019 -4.548 -2.721 1.00 0.00 O ATOM 709 CB HIS A 47 7.868 -7.189 -1.670 1.00 0.00 C ATOM 710 CG HIS A 47 8.691 -7.994 -0.716 1.00 0.00 C ATOM 711 ND1 HIS A 47 9.908 -7.572 -0.228 1.00 0.00 N ATOM 712 CD2 HIS A 47 8.460 -9.201 -0.146 1.00 0.00 C ATOM 713 CE1 HIS A 47 10.387 -8.479 0.599 1.00 0.00 C ATOM 714 NE2 HIS A 47 9.529 -9.476 0.667 1.00 0.00 N ATOM 0 H HIS A 47 5.988 -7.967 -0.269 1.00 0.00 H new ATOM 0 HA HIS A 47 7.455 -5.608 -0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 47 7.294 -7.867 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 47 8.533 -6.628 -2.326 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.595 -9.829 -0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.325 -8.416 1.131 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.642 -10.317 1.233 1.00 0.00 H new ATOM 723 N THR A 48 4.973 -5.295 -2.143 1.00 0.00 N ATOM 724 CA THR A 48 4.180 -4.495 -3.081 1.00 0.00 C ATOM 725 C THR A 48 4.536 -2.991 -3.116 1.00 0.00 C ATOM 726 O THR A 48 4.014 -2.247 -3.951 1.00 0.00 O ATOM 727 CB THR A 48 2.702 -4.628 -2.683 1.00 0.00 C ATOM 728 OG1 THR A 48 2.348 -6.010 -2.575 1.00 0.00 O ATOM 729 CG2 THR A 48 1.793 -3.944 -3.682 1.00 0.00 C ATOM 0 H THR A 48 4.395 -5.899 -1.558 1.00 0.00 H new ATOM 0 HA THR A 48 4.397 -4.882 -4.077 1.00 0.00 H new ATOM 0 HB THR A 48 2.571 -4.139 -1.718 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.405 -6.087 -2.319 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.756 -4.059 -3.368 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.041 -2.884 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.927 -4.396 -4.665 1.00 0.00 H new ATOM 737 N CYS A 49 5.412 -2.539 -2.233 1.00 0.00 N ATOM 738 CA CYS A 49 5.799 -1.132 -2.183 1.00 0.00 C ATOM 739 C CYS A 49 6.159 -0.603 -3.568 1.00 0.00 C ATOM 740 O CYS A 49 5.785 0.508 -3.933 1.00 0.00 O ATOM 741 CB CYS A 49 6.983 -0.932 -1.233 1.00 0.00 C ATOM 742 SG CYS A 49 8.577 -1.565 -1.854 1.00 0.00 S ATOM 0 H CYS A 49 5.872 -3.126 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 49 4.941 -0.571 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.087 0.133 -1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.758 -1.422 -0.286 1.00 0.00 H new ATOM 747 N GLN A 50 6.846 -1.428 -4.341 1.00 0.00 N ATOM 748 CA GLN A 50 7.281 -1.072 -5.681 1.00 0.00 C ATOM 749 C GLN A 50 6.098 -0.690 -6.582 1.00 0.00 C ATOM 750 O GLN A 50 6.215 0.200 -7.422 1.00 0.00 O ATOM 751 CB GLN A 50 8.064 -2.242 -6.263 1.00 0.00 C ATOM 752 CG GLN A 50 7.270 -3.534 -6.305 1.00 0.00 C ATOM 753 CD GLN A 50 8.139 -4.758 -6.148 1.00 0.00 C ATOM 754 OE1 GLN A 50 8.671 -5.288 -7.126 1.00 0.00 O ATOM 755 NE2 GLN A 50 8.271 -5.230 -4.922 1.00 0.00 N ATOM 0 H GLN A 50 7.119 -2.368 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 50 7.921 -0.192 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.386 -1.988 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.966 -2.397 -5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.521 -3.521 -5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.732 -3.594 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.813 -4.759 -4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.831 -6.066 -4.755 1.00 0.00 H new ATOM 764 N ASP A 51 4.956 -1.343 -6.384 1.00 0.00 N ATOM 765 CA ASP A 51 3.759 -1.054 -7.173 1.00 0.00 C ATOM 766 C ASP A 51 3.053 0.181 -6.632 1.00 0.00 C ATOM 767 O ASP A 51 2.394 0.912 -7.367 1.00 0.00 O ATOM 768 CB ASP A 51 2.798 -2.240 -7.151 1.00 0.00 C ATOM 769 CG ASP A 51 1.645 -2.059 -8.120 1.00 0.00 C ATOM 770 OD1 ASP A 51 0.502 -1.857 -7.663 1.00 0.00 O ATOM 771 OD2 ASP A 51 1.872 -2.109 -9.344 1.00 0.00 O ATOM 0 H ASP A 51 4.833 -2.075 -5.685 1.00 0.00 H new ATOM 0 HA ASP A 51 4.070 -0.870 -8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.342 -3.151 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.406 -2.370 -6.142 1.00 0.00 H new ATOM 776 N LYS A 52 3.196 0.400 -5.331 1.00 0.00 N ATOM 777 CA LYS A 52 2.625 1.561 -4.666 1.00 0.00 C ATOM 778 C LYS A 52 3.350 2.838 -5.049 1.00 0.00 C ATOM 779 O LYS A 52 2.887 3.940 -4.755 1.00 0.00 O ATOM 780 CB LYS A 52 2.702 1.372 -3.160 1.00 0.00 C ATOM 781 CG LYS A 52 1.450 0.782 -2.558 1.00 0.00 C ATOM 782 CD LYS A 52 0.245 1.697 -2.770 1.00 0.00 C ATOM 783 CE LYS A 52 0.490 3.105 -2.235 1.00 0.00 C ATOM 784 NZ LYS A 52 -0.518 4.073 -2.737 1.00 0.00 N ATOM 0 H LYS A 52 3.711 -0.223 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 52 1.586 1.652 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.547 0.724 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.901 2.336 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.253 -0.192 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.600 0.617 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.013 1.749 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.626 1.268 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.466 3.088 -1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.487 3.435 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.084 5.014 -2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.860 3.766 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.317 4.118 -2.073 1.00 0.00 H new ATOM 798 N GLY A 53 4.482 2.678 -5.701 1.00 0.00 N ATOM 799 CA GLY A 53 5.312 3.805 -6.035 1.00 0.00 C ATOM 800 C GLY A 53 6.570 3.814 -5.202 1.00 0.00 C ATOM 801 O GLY A 53 6.999 4.857 -4.708 1.00 0.00 O ATOM 0 H GLY A 53 4.845 1.776 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.572 3.769 -7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.758 4.730 -5.874 1.00 0.00 H new ATOM 805 N GLY A 54 7.144 2.635 -5.026 1.00 0.00 N ATOM 806 CA GLY A 54 8.360 2.509 -4.262 1.00 0.00 C ATOM 807 C GLY A 54 9.573 2.782 -5.109 1.00 0.00 C ATOM 808 O GLY A 54 9.929 1.991 -5.985 1.00 0.00 O ATOM 0 H GLY A 54 6.784 1.758 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.337 3.204 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.426 1.505 -3.843 1.00 0.00 H new ATOM 812 N HIS A 55 10.200 3.903 -4.842 1.00 0.00 N ATOM 813 CA HIS A 55 11.340 4.347 -5.622 1.00 0.00 C ATOM 814 C HIS A 55 12.625 3.857 -4.983 1.00 0.00 C ATOM 815 O HIS A 55 12.697 3.685 -3.768 1.00 0.00 O ATOM 816 CB HIS A 55 11.364 5.873 -5.730 1.00 0.00 C ATOM 817 CG HIS A 55 10.208 6.464 -6.483 1.00 0.00 C ATOM 818 ND1 HIS A 55 10.346 7.092 -7.704 1.00 0.00 N ATOM 819 CD2 HIS A 55 8.894 6.553 -6.168 1.00 0.00 C ATOM 820 CE1 HIS A 55 9.170 7.541 -8.103 1.00 0.00 C ATOM 821 NE2 HIS A 55 8.275 7.226 -7.189 1.00 0.00 N ATOM 0 H HIS A 55 9.939 4.533 -4.083 1.00 0.00 H new ATOM 0 HA HIS A 55 11.253 3.931 -6.626 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.380 6.295 -4.725 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.291 6.175 -6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.421 6.166 -5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.975 8.075 -9.021 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.280 7.448 -7.234 1.00 0.00 H new ATOM 830 N CYS A 56 13.636 3.645 -5.794 1.00 0.00 N ATOM 831 CA CYS A 56 14.895 3.129 -5.307 1.00 0.00 C ATOM 832 C CYS A 56 15.906 4.246 -5.179 1.00 0.00 C ATOM 833 O CYS A 56 16.247 4.906 -6.160 1.00 0.00 O ATOM 834 CB CYS A 56 15.406 2.034 -6.235 1.00 0.00 C ATOM 835 SG CYS A 56 14.374 0.532 -6.201 1.00 0.00 S ATOM 0 H CYS A 56 13.611 3.823 -6.798 1.00 0.00 H new ATOM 0 HA CYS A 56 14.743 2.696 -4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.445 2.418 -7.254 1.00 0.00 H new ATOM 0 HB3 CYS A 56 16.426 1.774 -5.953 1.00 0.00 H new ATOM 840 N VAL A 57 16.364 4.474 -3.962 1.00 0.00 N ATOM 841 CA VAL A 57 17.302 5.545 -3.702 1.00 0.00 C ATOM 842 C VAL A 57 18.550 5.013 -3.021 1.00 0.00 C ATOM 843 O VAL A 57 18.484 4.113 -2.177 1.00 0.00 O ATOM 844 CB VAL A 57 16.669 6.654 -2.836 1.00 0.00 C ATOM 845 CG1 VAL A 57 15.432 7.210 -3.516 1.00 0.00 C ATOM 846 CG2 VAL A 57 16.336 6.143 -1.440 1.00 0.00 C ATOM 0 H VAL A 57 16.101 3.931 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 57 17.576 5.976 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 57 17.398 7.457 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.995 7.992 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.706 7.628 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.705 6.411 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.892 6.948 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.630 5.316 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 57 17.248 5.799 -0.951 1.00 0.00 H new ATOM 856 N SER A 58 19.683 5.553 -3.429 1.00 0.00 N ATOM 857 CA SER A 58 20.959 5.170 -2.869 1.00 0.00 C ATOM 858 C SER A 58 21.091 5.751 -1.462 1.00 0.00 C ATOM 859 O SER A 58 20.350 6.667 -1.093 1.00 0.00 O ATOM 860 CB SER A 58 22.081 5.671 -3.788 1.00 0.00 C ATOM 861 OG SER A 58 22.184 7.084 -3.755 1.00 0.00 O ATOM 0 H SER A 58 19.742 6.267 -4.155 1.00 0.00 H new ATOM 0 HA SER A 58 21.032 4.085 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.029 5.228 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.891 5.342 -4.810 1.00 0.00 H new ATOM 0 HG SER A 58 22.908 7.373 -4.349 1.00 0.00 H new ATOM 867 N PRO A 59 22.018 5.227 -0.646 1.00 0.00 N ATOM 868 CA PRO A 59 22.247 5.738 0.712 1.00 0.00 C ATOM 869 C PRO A 59 22.695 7.203 0.720 1.00 0.00 C ATOM 870 O PRO A 59 22.697 7.859 1.764 1.00 0.00 O ATOM 871 CB PRO A 59 23.349 4.831 1.271 1.00 0.00 C ATOM 872 CG PRO A 59 23.956 4.151 0.089 1.00 0.00 C ATOM 873 CD PRO A 59 22.889 4.083 -0.964 1.00 0.00 C ATOM 0 HA PRO A 59 21.332 5.720 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.095 5.411 1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.939 4.104 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 59 24.822 4.704 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 59 24.303 3.152 0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 59 23.309 4.165 -1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 59 22.344 3.140 -0.923 1.00 0.00 H new ATOM 881 N LYS A 60 23.065 7.709 -0.452 1.00 0.00 N ATOM 882 CA LYS A 60 23.475 9.100 -0.596 1.00 0.00 C ATOM 883 C LYS A 60 22.270 9.994 -0.860 1.00 0.00 C ATOM 884 O LYS A 60 22.365 11.218 -0.794 1.00 0.00 O ATOM 885 CB LYS A 60 24.493 9.257 -1.734 1.00 0.00 C ATOM 886 CG LYS A 60 25.853 8.629 -1.458 1.00 0.00 C ATOM 887 CD LYS A 60 25.812 7.110 -1.520 1.00 0.00 C ATOM 888 CE LYS A 60 27.174 6.505 -1.227 1.00 0.00 C ATOM 889 NZ LYS A 60 27.650 6.841 0.138 1.00 0.00 N ATOM 0 H LYS A 60 23.089 7.173 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 60 23.944 9.404 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 60 24.079 8.812 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 60 24.632 10.319 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 60 26.576 9.000 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 60 26.201 8.941 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 60 25.084 6.735 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 60 25.477 6.794 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 60 27.120 5.422 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 60 27.896 6.864 -1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 28.453 6.229 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 27.952 7.836 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 26.879 6.694 0.820 1.00 0.00 H new ATOM 903 N ILE A 61 21.137 9.380 -1.170 1.00 0.00 N ATOM 904 CA ILE A 61 19.907 10.119 -1.381 1.00 0.00 C ATOM 905 C ILE A 61 19.264 10.408 -0.042 1.00 0.00 C ATOM 906 O ILE A 61 19.253 9.555 0.841 1.00 0.00 O ATOM 907 CB ILE A 61 18.905 9.319 -2.238 1.00 0.00 C ATOM 908 CG1 ILE A 61 19.537 8.918 -3.569 1.00 0.00 C ATOM 909 CG2 ILE A 61 17.629 10.121 -2.465 1.00 0.00 C ATOM 910 CD1 ILE A 61 19.534 10.001 -4.622 1.00 0.00 C ATOM 0 H ILE A 61 21.047 8.370 -1.280 1.00 0.00 H new ATOM 0 HA ILE A 61 20.157 11.042 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 61 18.642 8.410 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.567 8.609 -3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.007 8.049 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.936 9.538 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.167 10.349 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.870 11.050 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.002 9.625 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 61 18.507 10.296 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.090 10.865 -4.257 1.00 0.00 H new ATOM 922 N ARG A 62 18.750 11.606 0.120 1.00 0.00 N ATOM 923 CA ARG A 62 18.009 11.930 1.323 1.00 0.00 C ATOM 924 C ARG A 62 16.517 11.861 1.043 1.00 0.00 C ATOM 925 O ARG A 62 15.887 12.842 0.646 1.00 0.00 O ATOM 926 CB ARG A 62 18.397 13.302 1.883 1.00 0.00 C ATOM 927 CG ARG A 62 19.714 13.314 2.653 1.00 0.00 C ATOM 928 CD ARG A 62 20.918 13.178 1.736 1.00 0.00 C ATOM 929 NE ARG A 62 22.180 13.234 2.473 1.00 0.00 N ATOM 930 CZ ARG A 62 23.361 13.454 1.901 1.00 0.00 C ATOM 931 NH1 ARG A 62 23.447 13.616 0.587 1.00 0.00 N ATOM 932 NH2 ARG A 62 24.461 13.508 2.643 1.00 0.00 N ATOM 0 H ARG A 62 18.828 12.366 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 62 18.264 11.194 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.464 14.012 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.601 13.652 2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.794 14.242 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.717 12.499 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 62 20.856 12.234 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 62 20.898 13.974 0.991 1.00 0.00 H new ATOM 0 HE ARG A 62 22.153 13.097 3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 62 22.606 13.572 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 62 24.354 13.784 0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 62 24.401 13.381 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 62 25.365 13.677 2.203 1.00 0.00 H new ATOM 946 N CYS A 63 15.973 10.674 1.225 1.00 0.00 N ATOM 947 CA CYS A 63 14.567 10.415 0.985 1.00 0.00 C ATOM 948 C CYS A 63 13.985 9.662 2.165 1.00 0.00 C ATOM 949 O CYS A 63 14.719 8.999 2.901 1.00 0.00 O ATOM 950 CB CYS A 63 14.406 9.596 -0.298 1.00 0.00 C ATOM 951 SG CYS A 63 12.679 9.279 -0.781 1.00 0.00 S ATOM 0 H CYS A 63 16.496 9.859 1.545 1.00 0.00 H new ATOM 0 HA CYS A 63 14.035 11.359 0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 63 14.908 10.118 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 63 14.915 8.641 -0.170 1.00 0.00 H new ATOM 956 N LEU A 64 12.678 9.768 2.362 1.00 0.00 N ATOM 957 CA LEU A 64 12.028 8.990 3.391 1.00 0.00 C ATOM 958 C LEU A 64 11.848 7.577 2.874 1.00 0.00 C ATOM 959 O LEU A 64 10.806 7.205 2.327 1.00 0.00 O ATOM 960 CB LEU A 64 10.691 9.592 3.766 1.00 0.00 C ATOM 961 CG LEU A 64 10.311 9.444 5.239 1.00 0.00 C ATOM 962 CD1 LEU A 64 9.085 10.274 5.547 1.00 0.00 C ATOM 963 CD2 LEU A 64 10.069 7.988 5.595 1.00 0.00 C ATOM 0 H LEU A 64 12.060 10.378 1.828 1.00 0.00 H new ATOM 0 HA LEU A 64 12.644 8.986 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.702 10.652 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.916 9.127 3.157 1.00 0.00 H new ATOM 0 HG LEU A 64 11.142 9.805 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.824 10.161 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.293 11.323 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.253 9.938 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.800 7.911 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.257 7.594 4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.976 7.412 5.409 1.00 0.00 H new ATOM 975 N GLU A 65 12.885 6.810 3.066 1.00 0.00 N ATOM 976 CA GLU A 65 12.959 5.447 2.576 1.00 0.00 C ATOM 977 C GLU A 65 12.365 4.455 3.564 1.00 0.00 C ATOM 978 O GLU A 65 11.993 4.827 4.679 1.00 0.00 O ATOM 979 CB GLU A 65 14.403 5.060 2.206 1.00 0.00 C ATOM 980 CG GLU A 65 15.492 5.837 2.936 1.00 0.00 C ATOM 981 CD GLU A 65 15.461 5.653 4.437 1.00 0.00 C ATOM 982 OE1 GLU A 65 16.050 4.675 4.929 1.00 0.00 O ATOM 983 OE2 GLU A 65 14.859 6.495 5.131 1.00 0.00 O ATOM 0 H GLU A 65 13.717 7.111 3.573 1.00 0.00 H new ATOM 0 HA GLU A 65 12.357 5.403 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.540 3.998 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.536 5.201 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.466 5.523 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.388 6.897 2.706 1.00 0.00 H new ATOM 990 N GLU A 66 12.238 3.210 3.104 1.00 0.00 N ATOM 991 CA GLU A 66 11.683 2.100 3.880 1.00 0.00 C ATOM 992 C GLU A 66 10.176 2.092 3.806 1.00 0.00 C ATOM 993 O GLU A 66 9.471 2.198 4.813 1.00 0.00 O ATOM 994 CB GLU A 66 12.165 2.101 5.324 1.00 0.00 C ATOM 995 CG GLU A 66 13.645 1.832 5.429 1.00 0.00 C ATOM 996 CD GLU A 66 14.147 1.855 6.854 1.00 0.00 C ATOM 997 OE1 GLU A 66 13.497 1.235 7.723 1.00 0.00 O ATOM 998 OE2 GLU A 66 15.204 2.465 7.112 1.00 0.00 O ATOM 0 H GLU A 66 12.524 2.939 2.163 1.00 0.00 H new ATOM 0 HA GLU A 66 12.053 1.179 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.939 3.065 5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.619 1.345 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.865 0.860 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.187 2.577 4.846 1.00 0.00 H new ATOM 1005 N GLN A 67 9.703 1.987 2.582 1.00 0.00 N ATOM 1006 CA GLN A 67 8.294 1.783 2.314 1.00 0.00 C ATOM 1007 C GLN A 67 7.919 0.367 2.720 1.00 0.00 C ATOM 1008 O GLN A 67 7.164 0.165 3.671 1.00 0.00 O ATOM 1009 CB GLN A 67 7.988 2.019 0.837 1.00 0.00 C ATOM 1010 CG GLN A 67 6.505 1.967 0.503 1.00 0.00 C ATOM 1011 CD GLN A 67 6.232 2.347 -0.937 1.00 0.00 C ATOM 1012 OE1 GLN A 67 6.965 3.124 -1.528 1.00 0.00 O ATOM 1013 NE2 GLN A 67 5.181 1.804 -1.517 1.00 0.00 N ATOM 0 H GLN A 67 10.283 2.041 1.745 1.00 0.00 H new ATOM 0 HA GLN A 67 7.705 2.496 2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.383 2.992 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.512 1.270 0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.127 0.962 0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.961 2.641 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.588 1.158 -0.996 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.961 2.029 -2.487 1.00 0.00 H new ATOM 1022 N LEU A 68 8.486 -0.610 2.012 1.00 0.00 N ATOM 1023 CA LEU A 68 8.312 -2.013 2.369 1.00 0.00 C ATOM 1024 C LEU A 68 9.083 -2.926 1.428 1.00 0.00 C ATOM 1025 O LEU A 68 8.518 -3.494 0.492 1.00 0.00 O ATOM 1026 CB LEU A 68 6.841 -2.406 2.341 1.00 0.00 C ATOM 1027 CG LEU A 68 6.493 -3.615 3.202 1.00 0.00 C ATOM 1028 CD1 LEU A 68 7.052 -3.463 4.611 1.00 0.00 C ATOM 1029 CD2 LEU A 68 4.994 -3.792 3.260 1.00 0.00 C ATOM 0 H LEU A 68 9.068 -0.453 1.189 1.00 0.00 H new ATOM 0 HA LEU A 68 8.701 -2.132 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.245 -1.556 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.553 -2.615 1.311 1.00 0.00 H new ATOM 0 HG LEU A 68 6.945 -4.497 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.789 -4.339 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.137 -3.369 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.631 -2.571 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.753 -4.658 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.539 -2.901 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.606 -3.945 2.253 1.00 0.00 H new ATOM 1041 N GLY A 69 10.365 -3.079 1.684 1.00 0.00 N ATOM 1042 CA GLY A 69 11.167 -3.963 0.867 1.00 0.00 C ATOM 1043 C GLY A 69 12.531 -3.399 0.527 1.00 0.00 C ATOM 1044 O GLY A 69 12.764 -2.189 0.620 1.00 0.00 O ATOM 0 H GLY A 69 10.867 -2.611 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.294 -4.911 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.630 -4.177 -0.057 1.00 0.00 H new ATOM 1048 N LEU A 70 13.430 -4.287 0.135 1.00 0.00 N ATOM 1049 CA LEU A 70 14.772 -3.910 -0.270 1.00 0.00 C ATOM 1050 C LEU A 70 14.817 -3.783 -1.792 1.00 0.00 C ATOM 1051 O LEU A 70 14.171 -4.554 -2.507 1.00 0.00 O ATOM 1052 CB LEU A 70 15.771 -4.967 0.227 1.00 0.00 C ATOM 1053 CG LEU A 70 17.136 -4.441 0.697 1.00 0.00 C ATOM 1054 CD1 LEU A 70 17.860 -5.508 1.502 1.00 0.00 C ATOM 1055 CD2 LEU A 70 17.995 -4.013 -0.481 1.00 0.00 C ATOM 0 H LEU A 70 13.249 -5.290 0.089 1.00 0.00 H new ATOM 0 HA LEU A 70 15.044 -2.950 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.311 -5.512 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.938 -5.685 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 70 16.961 -3.569 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.826 -5.124 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.262 -5.775 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.012 -6.391 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.954 -3.645 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.159 -4.865 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.488 -3.221 -1.032 1.00 0.00 H new ATOM 1067 N CYS A 71 15.551 -2.796 -2.277 1.00 0.00 N ATOM 1068 CA CYS A 71 15.642 -2.525 -3.707 1.00 0.00 C ATOM 1069 C CYS A 71 16.710 -3.384 -4.377 1.00 0.00 C ATOM 1070 O CYS A 71 17.541 -3.973 -3.691 1.00 0.00 O ATOM 1071 CB CYS A 71 15.928 -1.044 -3.941 1.00 0.00 C ATOM 1072 SG CYS A 71 14.426 -0.015 -4.031 1.00 0.00 S ATOM 0 H CYS A 71 16.099 -2.161 -1.696 1.00 0.00 H new ATOM 0 HA CYS A 71 14.684 -2.782 -4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 71 16.564 -0.674 -3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 71 16.490 -0.933 -4.868 1.00 0.00 H new ATOM 1077 N PRO A 72 16.653 -3.512 -5.724 1.00 0.00 N ATOM 1078 CA PRO A 72 17.648 -4.247 -6.515 1.00 0.00 C ATOM 1079 C PRO A 72 19.074 -4.091 -5.989 1.00 0.00 C ATOM 1080 O PRO A 72 19.741 -5.085 -5.701 1.00 0.00 O ATOM 1081 CB PRO A 72 17.507 -3.611 -7.890 1.00 0.00 C ATOM 1082 CG PRO A 72 16.057 -3.281 -7.992 1.00 0.00 C ATOM 1083 CD PRO A 72 15.587 -2.967 -6.592 1.00 0.00 C ATOM 0 HA PRO A 72 17.476 -5.323 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.126 -2.719 -7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.816 -4.296 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.899 -2.430 -8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.498 -4.118 -8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.462 -1.894 -6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.624 -3.432 -6.381 1.00 0.00 H new ATOM 1091 N LEU A 73 19.545 -2.852 -5.863 1.00 0.00 N ATOM 1092 CA LEU A 73 20.830 -2.624 -5.218 1.00 0.00 C ATOM 1093 C LEU A 73 20.707 -2.903 -3.733 1.00 0.00 C ATOM 1094 O LEU A 73 19.790 -2.421 -3.069 1.00 0.00 O ATOM 1095 CB LEU A 73 21.350 -1.199 -5.400 1.00 0.00 C ATOM 1096 CG LEU A 73 21.904 -0.816 -6.770 1.00 0.00 C ATOM 1097 CD1 LEU A 73 22.609 -1.978 -7.441 1.00 0.00 C ATOM 1098 CD2 LEU A 73 20.820 -0.238 -7.658 1.00 0.00 C ATOM 0 H LEU A 73 19.068 -2.012 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 73 21.541 -3.299 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 73 20.537 -0.512 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 73 22.134 -1.031 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 73 22.652 -0.040 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 73 22.988 -1.662 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 73 23.440 -2.308 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 21.907 -2.801 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.245 0.025 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.031 -0.977 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.404 0.654 -7.190 1.00 0.00 H new ATOM 1110 N LYS A 74 21.666 -3.642 -3.218 1.00 0.00 N ATOM 1111 CA LYS A 74 21.614 -4.130 -1.843 1.00 0.00 C ATOM 1112 C LYS A 74 21.820 -2.990 -0.853 1.00 0.00 C ATOM 1113 O LYS A 74 21.449 -3.086 0.316 1.00 0.00 O ATOM 1114 CB LYS A 74 22.677 -5.214 -1.635 1.00 0.00 C ATOM 1115 CG LYS A 74 22.586 -5.930 -0.294 1.00 0.00 C ATOM 1116 CD LYS A 74 21.256 -6.656 -0.119 1.00 0.00 C ATOM 1117 CE LYS A 74 21.025 -7.697 -1.207 1.00 0.00 C ATOM 1118 NZ LYS A 74 22.106 -8.718 -1.245 1.00 0.00 N ATOM 0 H LYS A 74 22.501 -3.924 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 74 20.628 -4.558 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.590 -5.950 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.664 -4.761 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 74 23.403 -6.646 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 74 22.712 -5.207 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.234 -7.141 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.443 -5.931 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.068 -8.190 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.962 -7.201 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.842 -9.478 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.991 -8.275 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.241 -9.116 -0.294 1.00 0.00 H new ATOM 1132 N ARG A 75 22.409 -1.911 -1.336 1.00 0.00 N ATOM 1133 CA ARG A 75 22.688 -0.749 -0.508 1.00 0.00 C ATOM 1134 C ARG A 75 21.538 0.253 -0.565 1.00 0.00 C ATOM 1135 O ARG A 75 21.548 1.266 0.135 1.00 0.00 O ATOM 1136 CB ARG A 75 23.979 -0.093 -0.978 1.00 0.00 C ATOM 1137 CG ARG A 75 25.189 -0.994 -0.827 1.00 0.00 C ATOM 1138 CD ARG A 75 26.391 -0.432 -1.556 1.00 0.00 C ATOM 1139 NE ARG A 75 26.196 -0.415 -3.008 1.00 0.00 N ATOM 1140 CZ ARG A 75 27.092 0.055 -3.875 1.00 0.00 C ATOM 1141 NH1 ARG A 75 28.237 0.568 -3.439 1.00 0.00 N ATOM 1142 NH2 ARG A 75 26.848 0.007 -5.177 1.00 0.00 N ATOM 0 H ARG A 75 22.706 -1.814 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 75 22.798 -1.074 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 75 23.875 0.194 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 75 24.142 0.824 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 75 25.426 -1.113 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 75 24.957 -1.986 -1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 75 26.586 0.581 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 75 27.272 -1.028 -1.316 1.00 0.00 H new ATOM 0 HE ARG A 75 25.321 -0.786 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 75 28.432 0.603 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 75 28.921 0.927 -4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 75 25.973 -0.390 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 75 27.536 0.368 -5.838 1.00 0.00 H new ATOM 1156 N TRP A 76 20.542 -0.038 -1.391 1.00 0.00 N ATOM 1157 CA TRP A 76 19.438 0.890 -1.612 1.00 0.00 C ATOM 1158 C TRP A 76 18.179 0.428 -0.900 1.00 0.00 C ATOM 1159 O TRP A 76 17.987 -0.763 -0.652 1.00 0.00 O ATOM 1160 CB TRP A 76 19.138 1.031 -3.099 1.00 0.00 C ATOM 1161 CG TRP A 76 20.262 1.601 -3.901 1.00 0.00 C ATOM 1162 CD1 TRP A 76 21.594 1.359 -3.747 1.00 0.00 C ATOM 1163 CD2 TRP A 76 20.145 2.504 -4.996 1.00 0.00 C ATOM 1164 NE1 TRP A 76 22.306 2.028 -4.701 1.00 0.00 N ATOM 1165 CE2 TRP A 76 21.439 2.744 -5.476 1.00 0.00 C ATOM 1166 CE3 TRP A 76 19.068 3.129 -5.621 1.00 0.00 C ATOM 1167 CZ2 TRP A 76 21.685 3.576 -6.555 1.00 0.00 C ATOM 1168 CZ3 TRP A 76 19.310 3.966 -6.683 1.00 0.00 C ATOM 1169 CH2 TRP A 76 20.611 4.182 -7.145 1.00 0.00 C ATOM 0 H TRP A 76 20.475 -0.908 -1.919 1.00 0.00 H new ATOM 0 HA TRP A 76 19.745 1.855 -1.207 1.00 0.00 H new ATOM 0 HB2 TRP A 76 18.881 0.051 -3.501 1.00 0.00 H new ATOM 0 HB3 TRP A 76 18.261 1.666 -3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 76 22.024 0.730 -2.982 1.00 0.00 H new ATOM 0 HE1 TRP A 76 23.319 1.998 -4.816 1.00 0.00 H new ATOM 0 HE3 TRP A 76 18.059 2.958 -5.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 22.689 3.740 -6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 18.483 4.464 -7.168 1.00 0.00 H new ATOM 0 HH2 TRP A 76 20.771 4.841 -7.985 1.00 0.00 H new ATOM 1180 N THR A 77 17.316 1.375 -0.592 1.00 0.00 N ATOM 1181 CA THR A 77 16.077 1.077 0.099 1.00 0.00 C ATOM 1182 C THR A 77 14.870 1.518 -0.728 1.00 0.00 C ATOM 1183 O THR A 77 14.920 2.540 -1.415 1.00 0.00 O ATOM 1184 CB THR A 77 16.046 1.777 1.466 1.00 0.00 C ATOM 1185 OG1 THR A 77 17.246 1.476 2.195 1.00 0.00 O ATOM 1186 CG2 THR A 77 14.838 1.333 2.271 1.00 0.00 C ATOM 0 H THR A 77 17.451 2.362 -0.810 1.00 0.00 H new ATOM 0 HA THR A 77 16.026 -0.002 0.244 1.00 0.00 H new ATOM 0 HB THR A 77 15.979 2.852 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 77 17.222 1.926 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.836 1.841 3.235 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.927 1.583 1.728 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.882 0.255 2.429 1.00 0.00 H new ATOM 1194 N CYS A 78 13.795 0.735 -0.662 1.00 0.00 N ATOM 1195 CA CYS A 78 12.548 1.085 -1.326 1.00 0.00 C ATOM 1196 C CYS A 78 11.897 2.247 -0.588 1.00 0.00 C ATOM 1197 O CYS A 78 11.511 2.117 0.573 1.00 0.00 O ATOM 1198 CB CYS A 78 11.613 -0.129 -1.361 1.00 0.00 C ATOM 1199 SG CYS A 78 10.003 0.167 -2.164 1.00 0.00 S ATOM 0 H CYS A 78 13.766 -0.148 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 78 12.750 1.387 -2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.118 -0.943 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 78 11.437 -0.464 -0.339 1.00 0.00 H new ATOM 1204 N CYS A 79 11.808 3.386 -1.251 1.00 0.00 N ATOM 1205 CA CYS A 79 11.324 4.606 -0.628 1.00 0.00 C ATOM 1206 C CYS A 79 9.915 4.946 -1.078 1.00 0.00 C ATOM 1207 O CYS A 79 9.585 4.842 -2.262 1.00 0.00 O ATOM 1208 CB CYS A 79 12.277 5.755 -0.945 1.00 0.00 C ATOM 1209 SG CYS A 79 11.593 7.418 -0.652 1.00 0.00 S ATOM 0 H CYS A 79 12.068 3.492 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 79 11.290 4.447 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 79 13.178 5.637 -0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 79 12.579 5.680 -1.990 1.00 0.00 H new ATOM 1214 N LYS A 80 9.095 5.367 -0.124 1.00 0.00 N ATOM 1215 CA LYS A 80 7.707 5.689 -0.405 1.00 0.00 C ATOM 1216 C LYS A 80 7.588 7.086 -0.993 1.00 0.00 C ATOM 1217 O LYS A 80 7.561 8.072 -0.256 1.00 0.00 O ATOM 1218 CB LYS A 80 6.871 5.607 0.875 1.00 0.00 C ATOM 1219 CG LYS A 80 5.379 5.473 0.619 1.00 0.00 C ATOM 1220 CD LYS A 80 4.540 5.738 1.866 1.00 0.00 C ATOM 1221 CE LYS A 80 4.857 4.780 3.011 1.00 0.00 C ATOM 1222 NZ LYS A 80 6.080 5.171 3.767 1.00 0.00 N ATOM 0 H LYS A 80 9.369 5.493 0.850 1.00 0.00 H new ATOM 0 HA LYS A 80 7.334 4.964 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.208 4.755 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.050 6.500 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.085 6.170 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.167 4.470 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.707 6.762 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.483 5.654 1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.009 4.744 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.988 3.774 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.845 4.497 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.375 6.126 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.875 5.163 4.787 1.00 0.00 H new ATOM 1236 N GLU A 81 7.516 7.148 -2.321 1.00 0.00 N ATOM 1237 CA GLU A 81 7.276 8.394 -3.051 1.00 0.00 C ATOM 1238 C GLU A 81 8.270 9.489 -2.663 1.00 0.00 C ATOM 1239 O GLU A 81 8.050 10.243 -1.713 1.00 0.00 O ATOM 1240 CB GLU A 81 5.842 8.871 -2.825 1.00 0.00 C ATOM 1241 CG GLU A 81 4.802 7.843 -3.234 1.00 0.00 C ATOM 1242 CD GLU A 81 3.385 8.281 -2.927 1.00 0.00 C ATOM 1243 OE1 GLU A 81 2.978 8.221 -1.744 1.00 0.00 O ATOM 1244 OE2 GLU A 81 2.665 8.680 -3.870 1.00 0.00 O ATOM 0 H GLU A 81 7.623 6.333 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 81 7.422 8.185 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.708 9.115 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.678 9.790 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.893 7.648 -4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.006 6.904 -2.720 1.00 0.00 H new ATOM 1251 N ILE A 82 9.349 9.576 -3.427 1.00 0.00 N ATOM 1252 CA ILE A 82 10.401 10.561 -3.182 1.00 0.00 C ATOM 1253 C ILE A 82 9.823 11.972 -3.161 1.00 0.00 C ATOM 1254 O ILE A 82 9.210 12.374 -4.174 1.00 0.00 O ATOM 1255 CB ILE A 82 11.510 10.494 -4.255 1.00 0.00 C ATOM 1256 CG1 ILE A 82 12.085 9.079 -4.342 1.00 0.00 C ATOM 1257 CG2 ILE A 82 12.610 11.498 -3.940 1.00 0.00 C ATOM 1258 CD1 ILE A 82 13.128 8.911 -5.429 1.00 0.00 C ATOM 1259 OXT ILE A 82 9.978 12.669 -2.136 1.00 0.00 O ATOM 0 H ILE A 82 9.523 8.972 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 82 10.836 10.323 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 82 11.075 10.748 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.529 8.817 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.271 8.376 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.385 11.440 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.191 12.504 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 82 13.043 11.270 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 82 13.490 7.883 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.684 9.141 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.961 9.589 -5.242 1.00 0.00 H new TER 1271 ILE A 82