USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 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 27 MET CE :methyl 139:sc= -7.37 (180deg=-7.78!) USER MOD Set 1.2: A 58 THR OG1 : rot -175:sc= -1.9 USER MOD Single : A 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -6.57! C(o=-7.3!,f=-6.6!) USER MOD Single : A 5 THR OG1 : rot 52:sc= -0.23 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.124 (180deg=-0.472) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0478 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -1.1 (180deg=-1.55) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 121:sc= 1.46 USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= -1.73 (180deg=-3.37!) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.389 (180deg=-0.738) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 52:sc= 0.823 USER MOD Single : A 62 THR OG1 : rot -87:sc= -0.685! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -10.5! C(o=-10!,f=-16!) USER MOD Single : A 68 HIS : no HE2:sc= -5.95! C(o=-6!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.6) USER MOD Single : B 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 183 THR OG1 : rot 180:sc= 0 USER MOD Single : B 185 SER OG : rot 180:sc= 0 USER MOD Single : B 187 TYR OH : rot 180:sc= 0 USER MOD Single : B 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 TYR OH : rot 118:sc= 1.75 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.498 14.905 -2.938 1.00 1.84 N ATOM 2 CA ILE A 1 1.933 13.565 -3.412 1.00 1.28 C ATOM 3 C ILE A 1 0.946 12.485 -2.963 1.00 1.18 C ATOM 4 O ILE A 1 0.170 12.687 -2.030 1.00 1.52 O ATOM 5 CB ILE A 1 3.367 13.249 -2.918 1.00 1.23 C ATOM 6 CG1 ILE A 1 4.223 12.700 -4.072 1.00 1.40 C ATOM 7 CG2 ILE A 1 3.363 12.303 -1.722 1.00 1.76 C ATOM 8 CD1 ILE A 1 4.218 11.190 -4.201 1.00 1.67 C ATOM 0 H1 ILE A 1 2.181 15.623 -3.253 1.00 1.84 H new ATOM 0 H2 ILE A 1 0.560 15.124 -3.330 1.00 1.84 H new ATOM 0 H3 ILE A 1 1.449 14.907 -1.899 1.00 1.84 H new ATOM 0 HA ILE A 1 1.947 13.575 -4.502 1.00 1.28 H new ATOM 0 HB ILE A 1 3.815 14.181 -2.575 1.00 1.23 H new ATOM 0 HG12 ILE A 1 3.868 13.132 -5.007 1.00 1.40 H new ATOM 0 HG13 ILE A 1 5.251 13.036 -3.936 1.00 1.40 H new ATOM 0 HG21 ILE A 1 4.389 12.108 -1.409 1.00 1.76 H new ATOM 0 HG22 ILE A 1 2.812 12.759 -0.899 1.00 1.76 H new ATOM 0 HG23 ILE A 1 2.885 11.364 -2.002 1.00 1.76 H new ATOM 0 HD11 ILE A 1 4.848 10.894 -5.040 1.00 1.67 H new ATOM 0 HD12 ILE A 1 4.604 10.745 -3.284 1.00 1.67 H new ATOM 0 HD13 ILE A 1 3.199 10.843 -4.372 1.00 1.67 H new ATOM 22 N VAL A 2 0.972 11.347 -3.648 1.00 0.91 N ATOM 23 CA VAL A 2 0.067 10.242 -3.339 1.00 0.84 C ATOM 24 C VAL A 2 0.840 8.973 -2.968 1.00 0.73 C ATOM 25 O VAL A 2 2.031 8.857 -3.233 1.00 0.75 O ATOM 26 CB VAL A 2 -0.874 9.966 -4.546 1.00 0.97 C ATOM 27 CG1 VAL A 2 -1.344 8.516 -4.607 1.00 1.37 C ATOM 28 CG2 VAL A 2 -2.070 10.899 -4.498 1.00 1.66 C ATOM 0 H VAL A 2 1.610 11.164 -4.422 1.00 0.91 H new ATOM 0 HA VAL A 2 -0.533 10.531 -2.477 1.00 0.84 H new ATOM 0 HB VAL A 2 -0.295 10.152 -5.451 1.00 0.97 H new ATOM 0 HG11 VAL A 2 -1.998 8.381 -5.469 1.00 1.37 H new ATOM 0 HG12 VAL A 2 -0.481 7.857 -4.700 1.00 1.37 H new ATOM 0 HG13 VAL A 2 -1.890 8.272 -3.696 1.00 1.37 H new ATOM 0 HG21 VAL A 2 -2.723 10.698 -5.347 1.00 1.66 H new ATOM 0 HG22 VAL A 2 -2.620 10.738 -3.571 1.00 1.66 H new ATOM 0 HG23 VAL A 2 -1.727 11.933 -4.541 1.00 1.66 H new ATOM 38 N CYS A 3 0.136 8.019 -2.367 1.00 0.75 N ATOM 39 CA CYS A 3 0.727 6.748 -1.978 1.00 0.76 C ATOM 40 C CYS A 3 -0.349 5.814 -1.454 1.00 0.74 C ATOM 41 O CYS A 3 -1.225 6.221 -0.690 1.00 0.79 O ATOM 42 CB CYS A 3 1.823 6.932 -0.929 1.00 0.86 C ATOM 43 SG CYS A 3 2.883 5.469 -0.711 1.00 1.18 S ATOM 0 H CYS A 3 -0.854 8.106 -2.138 1.00 0.75 H new ATOM 0 HA CYS A 3 1.188 6.309 -2.863 1.00 0.76 H new ATOM 0 HB2 CYS A 3 2.445 7.781 -1.212 1.00 0.86 H new ATOM 0 HB3 CYS A 3 1.361 7.180 0.026 1.00 0.86 H new ATOM 48 N HIS A 4 -0.291 4.566 -1.890 1.00 1.00 N ATOM 49 CA HIS A 4 -1.269 3.564 -1.489 1.00 1.15 C ATOM 50 C HIS A 4 -1.558 3.622 0.010 1.00 1.39 C ATOM 51 O HIS A 4 -0.816 4.246 0.770 1.00 1.83 O ATOM 52 CB HIS A 4 -0.790 2.175 -1.908 1.00 1.50 C ATOM 53 CG HIS A 4 -1.069 1.880 -3.352 1.00 1.65 C ATOM 54 ND1 HIS A 4 -0.321 2.084 -4.468 1.00 2.53 N flip ATOM 55 CD2 HIS A 4 -2.259 1.335 -3.785 1.00 1.60 C flip ATOM 56 CE1 HIS A 4 -1.071 1.663 -5.538 1.00 3.06 C flip ATOM 57 NE2 HIS A 4 -2.234 1.216 -5.100 1.00 2.46 N flip ATOM 0 H HIS A 4 0.428 4.220 -2.526 1.00 1.00 H new ATOM 0 HA HIS A 4 -2.208 3.780 -1.998 1.00 1.15 H new ATOM 0 HB2 HIS A 4 0.281 2.094 -1.725 1.00 1.50 H new ATOM 0 HB3 HIS A 4 -1.278 1.424 -1.287 1.00 1.50 H new ATOM 0 HD2 HIS A 4 -3.083 1.050 -3.148 1.00 1.60 H new ATOM 0 HE1 HIS A 4 -0.760 1.693 -6.572 1.00 3.06 H new ATOM 0 HE2 HIS A 4 -2.986 0.842 -5.679 1.00 2.46 H new ATOM 66 N THR A 5 -2.655 2.995 0.431 1.00 1.34 N ATOM 67 CA THR A 5 -3.045 3.005 1.836 1.00 1.76 C ATOM 68 C THR A 5 -2.208 2.035 2.659 1.00 1.62 C ATOM 69 O THR A 5 -1.353 1.327 2.129 1.00 2.15 O ATOM 70 CB THR A 5 -4.528 2.665 1.980 1.00 2.22 C ATOM 71 OG1 THR A 5 -4.933 2.745 3.336 1.00 2.90 O ATOM 72 CG2 THR A 5 -4.871 1.281 1.479 1.00 2.13 C ATOM 0 H THR A 5 -3.286 2.476 -0.180 1.00 1.34 H new ATOM 0 HA THR A 5 -2.867 4.010 2.218 1.00 1.76 H new ATOM 0 HB THR A 5 -5.055 3.398 1.369 1.00 2.22 H new ATOM 0 HG1 THR A 5 -4.666 3.612 3.706 1.00 2.90 H new ATOM 0 HG21 THR A 5 -5.938 1.101 1.609 1.00 2.13 H new ATOM 0 HG22 THR A 5 -4.616 1.203 0.422 1.00 2.13 H new ATOM 0 HG23 THR A 5 -4.306 0.539 2.044 1.00 2.13 H new ATOM 80 N THR A 6 -2.462 2.017 3.966 1.00 1.66 N ATOM 81 CA THR A 6 -1.737 1.148 4.886 1.00 2.10 C ATOM 82 C THR A 6 -1.739 -0.305 4.413 1.00 1.68 C ATOM 83 O THR A 6 -0.718 -0.818 3.960 1.00 2.39 O ATOM 84 CB THR A 6 -2.344 1.240 6.288 1.00 2.95 C ATOM 85 OG1 THR A 6 -2.333 2.579 6.750 1.00 3.66 O ATOM 86 CG2 THR A 6 -1.620 0.394 7.313 1.00 3.19 C ATOM 0 H THR A 6 -3.170 2.600 4.413 1.00 1.66 H new ATOM 0 HA THR A 6 -0.702 1.489 4.914 1.00 2.10 H new ATOM 0 HB THR A 6 -3.362 0.864 6.187 1.00 2.95 H new ATOM 0 HG1 THR A 6 -2.726 2.619 7.647 1.00 3.66 H new ATOM 0 HG21 THR A 6 -2.103 0.506 8.284 1.00 3.19 H new ATOM 0 HG22 THR A 6 -1.653 -0.653 7.010 1.00 3.19 H new ATOM 0 HG23 THR A 6 -0.582 0.718 7.384 1.00 3.19 H new ATOM 94 N ALA A 7 -2.890 -0.968 4.531 1.00 1.08 N ATOM 95 CA ALA A 7 -3.017 -2.368 4.121 1.00 1.16 C ATOM 96 C ALA A 7 -4.308 -2.981 4.654 1.00 1.13 C ATOM 97 O ALA A 7 -4.306 -4.097 5.172 1.00 1.34 O ATOM 98 CB ALA A 7 -1.814 -3.177 4.597 1.00 1.59 C ATOM 0 H ALA A 7 -3.746 -0.560 4.906 1.00 1.08 H new ATOM 0 HA ALA A 7 -3.050 -2.396 3.032 1.00 1.16 H new ATOM 0 HB1 ALA A 7 -1.926 -4.215 4.283 1.00 1.59 H new ATOM 0 HB2 ALA A 7 -0.903 -2.763 4.164 1.00 1.59 H new ATOM 0 HB3 ALA A 7 -1.752 -3.132 5.684 1.00 1.59 H new ATOM 104 N THR A 8 -5.417 -2.254 4.515 1.00 1.25 N ATOM 105 CA THR A 8 -6.712 -2.750 4.976 1.00 1.44 C ATOM 106 C THR A 8 -6.909 -4.187 4.512 1.00 1.50 C ATOM 107 O THR A 8 -6.883 -5.123 5.311 1.00 2.19 O ATOM 108 CB THR A 8 -7.843 -1.865 4.448 1.00 1.67 C ATOM 109 OG1 THR A 8 -7.420 -1.138 3.308 1.00 2.24 O ATOM 110 CG2 THR A 8 -8.347 -0.867 5.467 1.00 2.08 C ATOM 0 H THR A 8 -5.444 -1.327 4.090 1.00 1.25 H new ATOM 0 HA THR A 8 -6.732 -2.721 6.065 1.00 1.44 H new ATOM 0 HB THR A 8 -8.654 -2.550 4.202 1.00 1.67 H new ATOM 0 HG1 THR A 8 -8.157 -0.579 2.984 1.00 2.24 H new ATOM 0 HG21 THR A 8 -9.148 -0.272 5.028 1.00 2.08 H new ATOM 0 HG22 THR A 8 -8.726 -1.398 6.340 1.00 2.08 H new ATOM 0 HG23 THR A 8 -7.530 -0.211 5.768 1.00 2.08 H new ATOM 118 N SER A 9 -7.080 -4.350 3.207 1.00 1.21 N ATOM 119 CA SER A 9 -7.252 -5.665 2.612 1.00 1.26 C ATOM 120 C SER A 9 -7.411 -5.561 1.101 1.00 1.26 C ATOM 121 O SER A 9 -6.692 -6.219 0.348 1.00 1.68 O ATOM 122 CB SER A 9 -8.434 -6.389 3.247 1.00 1.48 C ATOM 123 OG SER A 9 -9.233 -7.043 2.275 1.00 1.90 O ATOM 0 H SER A 9 -7.103 -3.581 2.538 1.00 1.21 H new ATOM 0 HA SER A 9 -6.355 -6.252 2.808 1.00 1.26 H new ATOM 0 HB2 SER A 9 -8.068 -7.120 3.968 1.00 1.48 H new ATOM 0 HB3 SER A 9 -9.045 -5.674 3.799 1.00 1.48 H new ATOM 0 HG SER A 9 -9.980 -7.498 2.718 1.00 1.90 H new ATOM 129 N PRO A 10 -8.340 -4.718 0.631 1.00 1.28 N ATOM 130 CA PRO A 10 -8.577 -4.511 -0.790 1.00 1.45 C ATOM 131 C PRO A 10 -7.663 -3.435 -1.358 1.00 1.28 C ATOM 132 O PRO A 10 -8.040 -2.711 -2.279 1.00 1.62 O ATOM 133 CB PRO A 10 -10.028 -4.033 -0.845 1.00 1.78 C ATOM 134 CG PRO A 10 -10.472 -3.844 0.578 1.00 2.09 C ATOM 135 CD PRO A 10 -9.235 -3.883 1.429 1.00 1.74 C ATOM 0 HA PRO A 10 -8.386 -5.412 -1.373 1.00 1.45 H new ATOM 0 HB2 PRO A 10 -10.108 -3.100 -1.403 1.00 1.78 H new ATOM 0 HB3 PRO A 10 -10.657 -4.763 -1.354 1.00 1.78 H new ATOM 0 HG2 PRO A 10 -10.993 -2.894 0.697 1.00 2.09 H new ATOM 0 HG3 PRO A 10 -11.169 -4.629 0.873 1.00 2.09 H new ATOM 0 HD2 PRO A 10 -8.823 -2.888 1.595 1.00 1.74 H new ATOM 0 HD3 PRO A 10 -9.429 -4.316 2.410 1.00 1.74 H new ATOM 143 N ILE A 11 -6.465 -3.346 -0.790 1.00 1.07 N ATOM 144 CA ILE A 11 -5.457 -2.369 -1.196 1.00 1.06 C ATOM 145 C ILE A 11 -6.076 -1.184 -1.943 1.00 1.20 C ATOM 146 O ILE A 11 -6.251 -1.224 -3.160 1.00 1.48 O ATOM 147 CB ILE A 11 -4.383 -3.045 -2.066 1.00 1.22 C ATOM 148 CG1 ILE A 11 -3.676 -4.165 -1.286 1.00 1.28 C ATOM 149 CG2 ILE A 11 -3.372 -2.027 -2.575 1.00 1.71 C ATOM 150 CD1 ILE A 11 -3.390 -3.832 0.167 1.00 1.20 C ATOM 0 H ILE A 11 -6.162 -3.954 -0.029 1.00 1.07 H new ATOM 0 HA ILE A 11 -4.994 -1.978 -0.290 1.00 1.06 H new ATOM 0 HB ILE A 11 -4.881 -3.488 -2.929 1.00 1.22 H new ATOM 0 HG12 ILE A 11 -4.292 -5.064 -1.326 1.00 1.28 H new ATOM 0 HG13 ILE A 11 -2.736 -4.401 -1.784 1.00 1.28 H new ATOM 0 HG21 ILE A 11 -2.624 -2.531 -3.187 1.00 1.71 H new ATOM 0 HG22 ILE A 11 -3.884 -1.274 -3.175 1.00 1.71 H new ATOM 0 HG23 ILE A 11 -2.883 -1.545 -1.728 1.00 1.71 H new ATOM 0 HD11 ILE A 11 -2.890 -4.676 0.642 1.00 1.20 H new ATOM 0 HD12 ILE A 11 -2.747 -2.953 0.219 1.00 1.20 H new ATOM 0 HD13 ILE A 11 -4.327 -3.627 0.685 1.00 1.20 H new ATOM 162 N SER A 12 -6.412 -0.133 -1.196 1.00 1.20 N ATOM 163 CA SER A 12 -7.020 1.060 -1.770 1.00 1.43 C ATOM 164 C SER A 12 -6.077 2.250 -1.660 1.00 1.63 C ATOM 165 O SER A 12 -5.916 2.836 -0.590 1.00 2.44 O ATOM 166 CB SER A 12 -8.343 1.375 -1.068 1.00 1.77 C ATOM 167 OG SER A 12 -9.007 2.457 -1.695 1.00 2.15 O ATOM 0 H SER A 12 -6.271 -0.087 -0.187 1.00 1.20 H new ATOM 0 HA SER A 12 -7.217 0.868 -2.825 1.00 1.43 H new ATOM 0 HB2 SER A 12 -8.984 0.494 -1.081 1.00 1.77 H new ATOM 0 HB3 SER A 12 -8.155 1.617 -0.022 1.00 1.77 H new ATOM 0 HG SER A 12 -9.850 2.638 -1.229 1.00 2.15 H new ATOM 173 N ALA A 13 -5.446 2.588 -2.774 1.00 1.65 N ATOM 174 CA ALA A 13 -4.499 3.695 -2.821 1.00 2.14 C ATOM 175 C ALA A 13 -5.080 4.978 -2.229 1.00 1.82 C ATOM 176 O ALA A 13 -6.158 5.424 -2.622 1.00 2.37 O ATOM 177 CB ALA A 13 -4.047 3.938 -4.253 1.00 2.97 C ATOM 0 H ALA A 13 -5.573 2.108 -3.665 1.00 1.65 H new ATOM 0 HA ALA A 13 -3.641 3.414 -2.210 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -3.340 4.767 -4.276 1.00 2.97 H new ATOM 0 HB2 ALA A 13 -3.566 3.040 -4.640 1.00 2.97 H new ATOM 0 HB3 ALA A 13 -4.911 4.181 -4.871 1.00 2.97 H new ATOM 183 N VAL A 14 -4.346 5.573 -1.287 1.00 1.28 N ATOM 184 CA VAL A 14 -4.781 6.811 -0.649 1.00 1.35 C ATOM 185 C VAL A 14 -3.823 7.962 -0.975 1.00 1.06 C ATOM 186 O VAL A 14 -3.185 7.971 -2.027 1.00 1.09 O ATOM 187 CB VAL A 14 -4.914 6.645 0.887 1.00 2.08 C ATOM 188 CG1 VAL A 14 -3.561 6.718 1.585 1.00 2.82 C ATOM 189 CG2 VAL A 14 -5.890 7.667 1.458 1.00 2.60 C ATOM 0 H VAL A 14 -3.451 5.217 -0.952 1.00 1.28 H new ATOM 0 HA VAL A 14 -5.766 7.052 -1.050 1.00 1.35 H new ATOM 0 HB VAL A 14 -5.316 5.650 1.077 1.00 2.08 H new ATOM 0 HG11 VAL A 14 -3.699 6.597 2.659 1.00 2.82 H new ATOM 0 HG12 VAL A 14 -2.915 5.924 1.210 1.00 2.82 H new ATOM 0 HG13 VAL A 14 -3.100 7.685 1.385 1.00 2.82 H new ATOM 0 HG21 VAL A 14 -5.968 7.532 2.537 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -5.530 8.673 1.243 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -6.871 7.527 1.003 1.00 2.60 H new ATOM 199 N THR A 15 -3.731 8.927 -0.067 1.00 1.36 N ATOM 200 CA THR A 15 -2.857 10.083 -0.258 1.00 1.37 C ATOM 201 C THR A 15 -1.636 10.015 0.659 1.00 1.15 C ATOM 202 O THR A 15 -1.331 8.964 1.225 1.00 1.63 O ATOM 203 CB THR A 15 -3.632 11.381 -0.005 1.00 1.93 C ATOM 204 OG1 THR A 15 -5.029 11.139 -0.007 1.00 2.45 O ATOM 205 CG2 THR A 15 -3.353 12.456 -1.031 1.00 2.47 C ATOM 0 H THR A 15 -4.251 8.933 0.811 1.00 1.36 H new ATOM 0 HA THR A 15 -2.506 10.070 -1.290 1.00 1.37 H new ATOM 0 HB THR A 15 -3.292 11.734 0.969 1.00 1.93 H new ATOM 0 HG1 THR A 15 -5.507 11.979 0.158 1.00 2.45 H new ATOM 0 HG21 THR A 15 -3.934 13.347 -0.792 1.00 2.47 H new ATOM 0 HG22 THR A 15 -2.291 12.702 -1.021 1.00 2.47 H new ATOM 0 HG23 THR A 15 -3.633 12.096 -2.021 1.00 2.47 H new ATOM 213 N CYS A 16 -0.935 11.141 0.797 1.00 1.00 N ATOM 214 CA CYS A 16 0.257 11.207 1.640 1.00 0.91 C ATOM 215 C CYS A 16 0.161 12.348 2.650 1.00 1.05 C ATOM 216 O CYS A 16 -0.620 13.283 2.474 1.00 1.59 O ATOM 217 CB CYS A 16 1.506 11.401 0.779 1.00 1.11 C ATOM 218 SG CYS A 16 2.219 9.853 0.136 1.00 1.82 S ATOM 0 H CYS A 16 -1.173 12.019 0.336 1.00 1.00 H new ATOM 0 HA CYS A 16 0.327 10.265 2.184 1.00 0.91 H new ATOM 0 HB2 CYS A 16 1.257 12.049 -0.061 1.00 1.11 H new ATOM 0 HB3 CYS A 16 2.263 11.919 1.368 1.00 1.11 H new ATOM 223 N PRO A 17 0.972 12.287 3.719 1.00 1.33 N ATOM 224 CA PRO A 17 0.996 13.319 4.760 1.00 1.72 C ATOM 225 C PRO A 17 1.690 14.593 4.285 1.00 1.75 C ATOM 226 O PRO A 17 2.202 14.646 3.165 1.00 2.05 O ATOM 227 CB PRO A 17 1.800 12.662 5.883 1.00 2.51 C ATOM 228 CG PRO A 17 2.702 11.707 5.186 1.00 2.77 C ATOM 229 CD PRO A 17 1.940 11.206 3.991 1.00 2.00 C ATOM 0 HA PRO A 17 -0.005 13.630 5.058 1.00 1.72 H new ATOM 0 HB2 PRO A 17 2.366 13.401 6.450 1.00 2.51 H new ATOM 0 HB3 PRO A 17 1.148 12.149 6.590 1.00 2.51 H new ATOM 0 HG2 PRO A 17 3.627 12.197 4.881 1.00 2.77 H new ATOM 0 HG3 PRO A 17 2.980 10.883 5.844 1.00 2.77 H new ATOM 0 HD2 PRO A 17 2.598 11.033 3.139 1.00 2.00 H new ATOM 0 HD3 PRO A 17 1.438 10.262 4.202 1.00 2.00 H new ATOM 237 N PRO A 18 1.727 15.640 5.128 1.00 2.25 N ATOM 238 CA PRO A 18 2.372 16.910 4.779 1.00 2.90 C ATOM 239 C PRO A 18 3.758 16.706 4.173 1.00 2.81 C ATOM 240 O PRO A 18 4.229 17.528 3.387 1.00 3.40 O ATOM 241 CB PRO A 18 2.476 17.628 6.123 1.00 3.70 C ATOM 242 CG PRO A 18 1.333 17.100 6.919 1.00 3.66 C ATOM 243 CD PRO A 18 1.148 15.669 6.487 1.00 2.83 C ATOM 0 HA PRO A 18 1.812 17.463 4.026 1.00 2.90 H new ATOM 0 HB2 PRO A 18 3.428 17.421 6.611 1.00 3.70 H new ATOM 0 HB3 PRO A 18 2.409 18.709 6.001 1.00 3.70 H new ATOM 0 HG2 PRO A 18 1.541 17.161 7.987 1.00 3.66 H new ATOM 0 HG3 PRO A 18 0.430 17.682 6.737 1.00 3.66 H new ATOM 0 HD2 PRO A 18 1.661 14.978 7.156 1.00 2.83 H new ATOM 0 HD3 PRO A 18 0.096 15.385 6.481 1.00 2.83 H new ATOM 251 N GLY A 19 4.404 15.604 4.544 1.00 2.46 N ATOM 252 CA GLY A 19 5.728 15.308 4.027 1.00 2.58 C ATOM 253 C GLY A 19 5.756 14.048 3.183 1.00 1.98 C ATOM 254 O GLY A 19 4.727 13.627 2.654 1.00 2.27 O ATOM 0 H GLY A 19 4.034 14.911 5.194 1.00 2.46 H new ATOM 0 HA2 GLY A 19 6.077 16.150 3.429 1.00 2.58 H new ATOM 0 HA3 GLY A 19 6.423 15.199 4.859 1.00 2.58 H new ATOM 258 N GLU A 20 6.934 13.439 3.069 1.00 1.91 N ATOM 259 CA GLU A 20 7.096 12.215 2.297 1.00 1.74 C ATOM 260 C GLU A 20 6.738 12.428 0.823 1.00 1.36 C ATOM 261 O GLU A 20 5.719 13.041 0.504 1.00 2.07 O ATOM 262 CB GLU A 20 6.248 11.108 2.920 1.00 2.62 C ATOM 263 CG GLU A 20 6.686 10.775 4.337 1.00 3.53 C ATOM 264 CD GLU A 20 5.528 10.704 5.317 1.00 4.03 C ATOM 265 OE1 GLU A 20 4.806 9.687 5.316 1.00 4.69 O ATOM 266 OE2 GLU A 20 5.350 11.668 6.093 1.00 4.12 O ATOM 0 H GLU A 20 7.792 13.777 3.504 1.00 1.91 H new ATOM 0 HA GLU A 20 8.144 11.918 2.325 1.00 1.74 H new ATOM 0 HB2 GLU A 20 5.202 11.415 2.928 1.00 2.62 H new ATOM 0 HB3 GLU A 20 6.312 10.212 2.302 1.00 2.62 H new ATOM 0 HG2 GLU A 20 7.211 9.820 4.334 1.00 3.53 H new ATOM 0 HG3 GLU A 20 7.397 11.528 4.678 1.00 3.53 H new ATOM 273 N ASN A 21 7.597 11.933 -0.073 1.00 1.08 N ATOM 274 CA ASN A 21 7.379 12.090 -1.509 1.00 1.79 C ATOM 275 C ASN A 21 7.311 10.747 -2.241 1.00 1.57 C ATOM 276 O ASN A 21 6.648 10.635 -3.269 1.00 2.07 O ATOM 277 CB ASN A 21 8.488 12.951 -2.116 1.00 2.76 C ATOM 278 CG ASN A 21 8.341 14.417 -1.760 1.00 3.80 C ATOM 279 OD1 ASN A 21 7.475 15.114 -2.293 1.00 4.47 O ATOM 280 ND2 ASN A 21 9.188 14.894 -0.856 1.00 4.30 N ATOM 0 H ASN A 21 8.446 11.423 0.172 1.00 1.08 H new ATOM 0 HA ASN A 21 6.414 12.581 -1.635 1.00 1.79 H new ATOM 0 HB2 ASN A 21 9.456 12.591 -1.768 1.00 2.76 H new ATOM 0 HB3 ASN A 21 8.478 12.840 -3.200 1.00 2.76 H new ATOM 0 HD21 ASN A 21 9.138 15.874 -0.577 1.00 4.30 H new ATOM 0 HD22 ASN A 21 9.889 14.281 -0.441 1.00 4.30 H new ATOM 287 N LEU A 22 7.991 9.726 -1.721 1.00 1.06 N ATOM 288 CA LEU A 22 7.975 8.412 -2.359 1.00 0.90 C ATOM 289 C LEU A 22 7.327 7.382 -1.450 1.00 0.77 C ATOM 290 O LEU A 22 7.239 7.578 -0.238 1.00 0.92 O ATOM 291 CB LEU A 22 9.390 7.977 -2.754 1.00 1.01 C ATOM 292 CG LEU A 22 10.206 7.326 -1.650 1.00 0.89 C ATOM 293 CD1 LEU A 22 11.540 6.826 -2.186 1.00 1.70 C ATOM 294 CD2 LEU A 22 10.421 8.314 -0.534 1.00 1.13 C ATOM 0 H LEU A 22 8.552 9.782 -0.871 1.00 1.06 H new ATOM 0 HA LEU A 22 7.380 8.485 -3.269 1.00 0.90 H new ATOM 0 HB2 LEU A 22 9.317 7.279 -3.588 1.00 1.01 H new ATOM 0 HB3 LEU A 22 9.932 8.851 -3.116 1.00 1.01 H new ATOM 0 HG LEU A 22 9.658 6.466 -1.266 1.00 0.89 H new ATOM 0 HD11 LEU A 22 12.107 6.364 -1.378 1.00 1.70 H new ATOM 0 HD12 LEU A 22 11.364 6.092 -2.972 1.00 1.70 H new ATOM 0 HD13 LEU A 22 12.106 7.664 -2.593 1.00 1.70 H new ATOM 0 HD21 LEU A 22 11.006 7.847 0.258 1.00 1.13 H new ATOM 0 HD22 LEU A 22 10.956 9.184 -0.916 1.00 1.13 H new ATOM 0 HD23 LEU A 22 9.456 8.628 -0.135 1.00 1.13 H new ATOM 306 N CYS A 23 6.863 6.291 -2.041 1.00 0.69 N ATOM 307 CA CYS A 23 6.206 5.238 -1.278 1.00 0.71 C ATOM 308 C CYS A 23 7.220 4.335 -0.597 1.00 0.76 C ATOM 309 O CYS A 23 8.360 4.224 -1.037 1.00 0.99 O ATOM 310 CB CYS A 23 5.301 4.412 -2.189 1.00 0.84 C ATOM 311 SG CYS A 23 3.704 5.205 -2.547 1.00 1.02 S ATOM 0 H CYS A 23 6.928 6.111 -3.043 1.00 0.69 H new ATOM 0 HA CYS A 23 5.601 5.713 -0.505 1.00 0.71 H new ATOM 0 HB2 CYS A 23 5.821 4.223 -3.128 1.00 0.84 H new ATOM 0 HB3 CYS A 23 5.119 3.443 -1.724 1.00 0.84 H new ATOM 316 N TYR A 24 6.787 3.690 0.479 1.00 0.74 N ATOM 317 CA TYR A 24 7.627 2.789 1.231 1.00 0.84 C ATOM 318 C TYR A 24 6.754 1.681 1.826 1.00 0.86 C ATOM 319 O TYR A 24 5.711 1.966 2.415 1.00 1.23 O ATOM 320 CB TYR A 24 8.369 3.567 2.336 1.00 1.01 C ATOM 321 CG TYR A 24 7.674 3.584 3.694 1.00 1.03 C ATOM 322 CD1 TYR A 24 7.475 2.414 4.424 1.00 1.57 C ATOM 323 CD2 TYR A 24 7.224 4.777 4.244 1.00 1.62 C ATOM 324 CE1 TYR A 24 6.847 2.432 5.653 1.00 1.68 C ATOM 325 CE2 TYR A 24 6.595 4.803 5.476 1.00 1.74 C ATOM 326 CZ TYR A 24 6.409 3.628 6.175 1.00 1.34 C ATOM 327 OH TYR A 24 5.783 3.655 7.400 1.00 1.57 O ATOM 0 H TYR A 24 5.841 3.782 0.849 1.00 0.74 H new ATOM 0 HA TYR A 24 8.375 2.337 0.580 1.00 0.84 H new ATOM 0 HB2 TYR A 24 9.362 3.135 2.459 1.00 1.01 H new ATOM 0 HB3 TYR A 24 8.508 4.596 2.004 1.00 1.01 H new ATOM 0 HD1 TYR A 24 7.819 1.474 4.020 1.00 1.57 H new ATOM 0 HD2 TYR A 24 7.367 5.700 3.701 1.00 1.62 H new ATOM 0 HE1 TYR A 24 6.700 1.513 6.202 1.00 1.68 H new ATOM 0 HE2 TYR A 24 6.251 5.740 5.889 1.00 1.74 H new ATOM 0 HH TYR A 24 5.538 4.578 7.622 1.00 1.57 H new ATOM 337 N ARG A 25 7.163 0.428 1.674 1.00 0.81 N ATOM 338 CA ARG A 25 6.381 -0.684 2.211 1.00 0.85 C ATOM 339 C ARG A 25 7.223 -1.560 3.129 1.00 0.85 C ATOM 340 O ARG A 25 8.246 -2.105 2.718 1.00 1.02 O ATOM 341 CB ARG A 25 5.789 -1.531 1.079 1.00 0.99 C ATOM 342 CG ARG A 25 6.690 -1.659 -0.138 1.00 1.29 C ATOM 343 CD ARG A 25 6.040 -2.510 -1.217 1.00 1.64 C ATOM 344 NE ARG A 25 7.015 -3.331 -1.933 1.00 1.83 N ATOM 345 CZ ARG A 25 7.478 -3.053 -3.151 1.00 2.23 C ATOM 346 NH1 ARG A 25 7.076 -1.963 -3.796 1.00 2.63 N ATOM 347 NH2 ARG A 25 8.352 -3.867 -3.727 1.00 2.91 N ATOM 0 H ARG A 25 8.019 0.156 1.191 1.00 0.81 H new ATOM 0 HA ARG A 25 5.566 -0.258 2.796 1.00 0.85 H new ATOM 0 HB2 ARG A 25 5.570 -2.528 1.462 1.00 0.99 H new ATOM 0 HB3 ARG A 25 4.840 -1.093 0.770 1.00 0.99 H new ATOM 0 HG2 ARG A 25 6.910 -0.669 -0.536 1.00 1.29 H new ATOM 0 HG3 ARG A 25 7.641 -2.103 0.156 1.00 1.29 H new ATOM 0 HD2 ARG A 25 5.287 -3.155 -0.764 1.00 1.64 H new ATOM 0 HD3 ARG A 25 5.522 -1.863 -1.925 1.00 1.64 H new ATOM 0 HE ARG A 25 7.363 -4.171 -1.470 1.00 1.83 H new ATOM 0 HH11 ARG A 25 6.407 -1.330 -3.359 1.00 2.63 H new ATOM 0 HH12 ARG A 25 7.437 -1.760 -4.728 1.00 2.63 H new ATOM 0 HH21 ARG A 25 8.669 -4.704 -3.238 1.00 2.91 H new ATOM 0 HH22 ARG A 25 8.708 -3.656 -4.659 1.00 2.91 H new ATOM 361 N LYS A 26 6.783 -1.693 4.379 1.00 0.83 N ATOM 362 CA LYS A 26 7.499 -2.512 5.355 1.00 0.89 C ATOM 363 C LYS A 26 6.904 -3.914 5.427 1.00 0.86 C ATOM 364 O LYS A 26 5.716 -4.074 5.701 1.00 1.06 O ATOM 365 CB LYS A 26 7.451 -1.856 6.736 1.00 1.09 C ATOM 366 CG LYS A 26 8.547 -0.828 6.960 1.00 1.23 C ATOM 367 CD LYS A 26 8.926 -0.727 8.429 1.00 1.40 C ATOM 368 CE LYS A 26 9.502 -2.035 8.952 1.00 1.63 C ATOM 369 NZ LYS A 26 10.433 -2.665 7.976 1.00 2.19 N ATOM 0 H LYS A 26 5.939 -1.247 4.738 1.00 0.83 H new ATOM 0 HA LYS A 26 8.537 -2.591 5.033 1.00 0.89 H new ATOM 0 HB2 LYS A 26 6.481 -1.375 6.867 1.00 1.09 H new ATOM 0 HB3 LYS A 26 7.529 -2.630 7.499 1.00 1.09 H new ATOM 0 HG2 LYS A 26 9.426 -1.098 6.374 1.00 1.23 H new ATOM 0 HG3 LYS A 26 8.212 0.146 6.602 1.00 1.23 H new ATOM 0 HD2 LYS A 26 9.656 0.071 8.563 1.00 1.40 H new ATOM 0 HD3 LYS A 26 8.047 -0.457 9.014 1.00 1.40 H new ATOM 0 HE2 LYS A 26 10.029 -1.850 9.888 1.00 1.63 H new ATOM 0 HE3 LYS A 26 8.689 -2.726 9.175 1.00 1.63 H new ATOM 0 HZ1 LYS A 26 10.991 -3.401 8.454 1.00 2.19 H new ATOM 0 HZ2 LYS A 26 9.887 -3.093 7.202 1.00 2.19 H new ATOM 0 HZ3 LYS A 26 11.073 -1.942 7.590 1.00 2.19 H new ATOM 383 N MET A 27 7.727 -4.931 5.182 1.00 0.79 N ATOM 384 CA MET A 27 7.247 -6.314 5.224 1.00 0.85 C ATOM 385 C MET A 27 8.212 -7.198 6.005 1.00 0.79 C ATOM 386 O MET A 27 9.393 -6.876 6.130 1.00 0.84 O ATOM 387 CB MET A 27 7.059 -6.868 3.806 1.00 1.03 C ATOM 388 CG MET A 27 7.252 -5.837 2.702 1.00 1.28 C ATOM 389 SD MET A 27 8.984 -5.401 2.449 1.00 1.66 S ATOM 390 CE MET A 27 8.840 -4.213 1.116 1.00 2.08 C ATOM 0 H MET A 27 8.716 -4.829 4.955 1.00 0.79 H new ATOM 0 HA MET A 27 6.282 -6.318 5.731 1.00 0.85 H new ATOM 0 HB2 MET A 27 7.763 -7.686 3.651 1.00 1.03 H new ATOM 0 HB3 MET A 27 6.057 -7.290 3.723 1.00 1.03 H new ATOM 0 HG2 MET A 27 6.840 -6.227 1.771 1.00 1.28 H new ATOM 0 HG3 MET A 27 6.688 -4.938 2.948 1.00 1.28 H new ATOM 0 HE1 MET A 27 9.521 -3.381 1.295 1.00 2.08 H new ATOM 0 HE2 MET A 27 9.094 -4.694 0.171 1.00 2.08 H new ATOM 0 HE3 MET A 27 7.817 -3.841 1.069 1.00 2.08 H new ATOM 400 N TRP A 28 7.709 -8.318 6.531 1.00 0.77 N ATOM 401 CA TRP A 28 8.567 -9.234 7.299 1.00 0.81 C ATOM 402 C TRP A 28 9.225 -10.239 6.380 1.00 0.98 C ATOM 403 O TRP A 28 10.415 -10.533 6.488 1.00 1.57 O ATOM 404 CB TRP A 28 7.804 -10.000 8.393 1.00 1.07 C ATOM 405 CG TRP A 28 7.000 -9.162 9.346 1.00 0.86 C ATOM 406 CD1 TRP A 28 6.069 -9.625 10.230 1.00 0.88 C ATOM 407 CD2 TRP A 28 7.018 -7.740 9.503 1.00 0.85 C ATOM 408 NE1 TRP A 28 5.513 -8.587 10.921 1.00 0.89 N ATOM 409 CE2 TRP A 28 6.077 -7.420 10.494 1.00 0.89 C ATOM 410 CE3 TRP A 28 7.733 -6.709 8.907 1.00 1.00 C ATOM 411 CZ2 TRP A 28 5.834 -6.116 10.894 1.00 1.07 C ATOM 412 CZ3 TRP A 28 7.493 -5.407 9.308 1.00 1.15 C ATOM 413 CH2 TRP A 28 6.548 -5.122 10.293 1.00 1.19 C ATOM 0 H TRP A 28 6.736 -8.611 6.445 1.00 0.77 H new ATOM 0 HA TRP A 28 9.315 -8.607 7.785 1.00 0.81 H new ATOM 0 HB2 TRP A 28 7.133 -10.710 7.910 1.00 1.07 H new ATOM 0 HB3 TRP A 28 8.523 -10.582 8.970 1.00 1.07 H new ATOM 0 HD1 TRP A 28 5.809 -10.665 10.364 1.00 0.88 H new ATOM 0 HE1 TRP A 28 4.793 -8.670 11.639 1.00 0.89 H new ATOM 0 HE3 TRP A 28 8.465 -6.921 8.142 1.00 1.00 H new ATOM 0 HZ2 TRP A 28 5.103 -5.894 11.657 1.00 1.07 H new ATOM 0 HZ3 TRP A 28 8.046 -4.599 8.851 1.00 1.15 H new ATOM 0 HH2 TRP A 28 6.379 -4.096 10.585 1.00 1.19 H new ATOM 424 N CYS A 29 8.423 -10.757 5.487 1.00 1.10 N ATOM 425 CA CYS A 29 8.873 -11.747 4.519 1.00 1.39 C ATOM 426 C CYS A 29 9.087 -11.106 3.155 1.00 1.62 C ATOM 427 O CYS A 29 10.204 -11.053 2.643 1.00 2.20 O ATOM 428 CB CYS A 29 7.850 -12.881 4.406 1.00 1.50 C ATOM 429 SG CYS A 29 8.566 -14.549 4.570 1.00 1.87 S ATOM 0 H CYS A 29 7.437 -10.510 5.403 1.00 1.10 H new ATOM 0 HA CYS A 29 9.822 -12.156 4.865 1.00 1.39 H new ATOM 0 HB2 CYS A 29 7.089 -12.747 5.175 1.00 1.50 H new ATOM 0 HB3 CYS A 29 7.346 -12.807 3.442 1.00 1.50 H new ATOM 434 N ASP A 30 7.999 -10.617 2.583 1.00 1.38 N ATOM 435 CA ASP A 30 8.033 -9.965 1.279 1.00 1.74 C ATOM 436 C ASP A 30 8.656 -10.874 0.221 1.00 1.96 C ATOM 437 O ASP A 30 9.097 -11.984 0.523 1.00 2.52 O ATOM 438 CB ASP A 30 8.812 -8.656 1.373 1.00 2.08 C ATOM 439 CG ASP A 30 8.350 -7.634 0.352 1.00 2.33 C ATOM 440 OD1 ASP A 30 7.138 -7.603 0.052 1.00 2.64 O ATOM 441 OD2 ASP A 30 9.199 -6.868 -0.148 1.00 2.75 O ATOM 0 H ASP A 30 7.071 -10.659 3.004 1.00 1.38 H new ATOM 0 HA ASP A 30 7.007 -9.754 0.977 1.00 1.74 H new ATOM 0 HB2 ASP A 30 8.700 -8.241 2.375 1.00 2.08 H new ATOM 0 HB3 ASP A 30 9.873 -8.857 1.228 1.00 2.08 H new ATOM 446 N ALA A 31 8.683 -10.394 -1.023 1.00 2.10 N ATOM 447 CA ALA A 31 9.245 -11.154 -2.138 1.00 2.46 C ATOM 448 C ALA A 31 8.270 -12.225 -2.620 1.00 2.26 C ATOM 449 O ALA A 31 7.875 -12.236 -3.786 1.00 2.66 O ATOM 450 CB ALA A 31 10.576 -11.785 -1.747 1.00 2.98 C ATOM 0 H ALA A 31 8.320 -9.477 -1.284 1.00 2.10 H new ATOM 0 HA ALA A 31 9.420 -10.459 -2.959 1.00 2.46 H new ATOM 0 HB1 ALA A 31 10.975 -12.345 -2.592 1.00 2.98 H new ATOM 0 HB2 ALA A 31 11.281 -11.003 -1.465 1.00 2.98 H new ATOM 0 HB3 ALA A 31 10.425 -12.459 -0.904 1.00 2.98 H new ATOM 456 N PHE A 32 7.888 -13.123 -1.719 1.00 2.11 N ATOM 457 CA PHE A 32 6.960 -14.196 -2.055 1.00 2.17 C ATOM 458 C PHE A 32 6.284 -14.742 -0.795 1.00 1.75 C ATOM 459 O PHE A 32 5.190 -14.309 -0.432 1.00 2.16 O ATOM 460 CB PHE A 32 7.702 -15.313 -2.804 1.00 2.77 C ATOM 461 CG PHE A 32 6.943 -16.608 -2.881 1.00 3.17 C ATOM 462 CD1 PHE A 32 5.660 -16.648 -3.403 1.00 3.67 C ATOM 463 CD2 PHE A 32 7.515 -17.788 -2.431 1.00 3.74 C ATOM 464 CE1 PHE A 32 4.963 -17.839 -3.474 1.00 4.50 C ATOM 465 CE2 PHE A 32 6.824 -18.982 -2.500 1.00 4.54 C ATOM 466 CZ PHE A 32 5.545 -19.008 -3.021 1.00 4.85 C ATOM 0 H PHE A 32 8.207 -13.129 -0.750 1.00 2.11 H new ATOM 0 HA PHE A 32 6.182 -13.796 -2.705 1.00 2.17 H new ATOM 0 HB2 PHE A 32 7.923 -14.973 -3.816 1.00 2.77 H new ATOM 0 HB3 PHE A 32 8.658 -15.493 -2.312 1.00 2.77 H new ATOM 0 HD1 PHE A 32 5.200 -15.738 -3.758 1.00 3.67 H new ATOM 0 HD2 PHE A 32 8.514 -17.773 -2.021 1.00 3.74 H new ATOM 0 HE1 PHE A 32 3.964 -17.856 -3.883 1.00 4.50 H new ATOM 0 HE2 PHE A 32 7.283 -19.894 -2.147 1.00 4.54 H new ATOM 0 HZ PHE A 32 5.001 -19.939 -3.074 1.00 4.85 H new ATOM 476 N CYS A 33 6.949 -15.687 -0.133 1.00 1.44 N ATOM 477 CA CYS A 33 6.428 -16.297 1.091 1.00 1.44 C ATOM 478 C CYS A 33 4.924 -16.563 1.003 1.00 1.67 C ATOM 479 O CYS A 33 4.111 -15.695 1.314 1.00 2.41 O ATOM 480 CB CYS A 33 6.739 -15.409 2.298 1.00 1.66 C ATOM 481 SG CYS A 33 8.518 -15.279 2.678 1.00 1.93 S ATOM 0 H CYS A 33 7.856 -16.050 -0.426 1.00 1.44 H new ATOM 0 HA CYS A 33 6.924 -17.260 1.214 1.00 1.44 H new ATOM 0 HB2 CYS A 33 6.342 -14.410 2.114 1.00 1.66 H new ATOM 0 HB3 CYS A 33 6.218 -15.803 3.171 1.00 1.66 H new ATOM 486 N SER A 34 4.571 -17.779 0.586 1.00 1.74 N ATOM 487 CA SER A 34 3.170 -18.198 0.460 1.00 2.21 C ATOM 488 C SER A 34 2.255 -17.064 -0.009 1.00 2.07 C ATOM 489 O SER A 34 1.133 -16.923 0.481 1.00 2.39 O ATOM 490 CB SER A 34 2.668 -18.748 1.796 1.00 2.92 C ATOM 491 OG SER A 34 2.980 -20.124 1.931 1.00 3.47 O ATOM 0 H SER A 34 5.243 -18.501 0.326 1.00 1.74 H new ATOM 0 HA SER A 34 3.137 -18.976 -0.302 1.00 2.21 H new ATOM 0 HB2 SER A 34 3.118 -18.188 2.616 1.00 2.92 H new ATOM 0 HB3 SER A 34 1.589 -18.608 1.868 1.00 2.92 H new ATOM 0 HG SER A 34 2.650 -20.451 2.794 1.00 3.47 H new ATOM 497 N SER A 35 2.728 -16.266 -0.960 1.00 2.23 N ATOM 498 CA SER A 35 1.936 -15.156 -1.489 1.00 2.38 C ATOM 499 C SER A 35 1.650 -14.116 -0.406 1.00 2.12 C ATOM 500 O SER A 35 2.305 -13.076 -0.345 1.00 2.53 O ATOM 501 CB SER A 35 0.624 -15.679 -2.080 1.00 2.81 C ATOM 502 OG SER A 35 0.540 -15.400 -3.467 1.00 3.24 O ATOM 0 H SER A 35 3.652 -16.364 -1.381 1.00 2.23 H new ATOM 0 HA SER A 35 2.514 -14.673 -2.276 1.00 2.38 H new ATOM 0 HB2 SER A 35 0.552 -16.754 -1.918 1.00 2.81 H new ATOM 0 HB3 SER A 35 -0.219 -15.221 -1.562 1.00 2.81 H new ATOM 0 HG SER A 35 -0.306 -15.746 -3.820 1.00 3.24 H new ATOM 508 N ARG A 36 0.672 -14.405 0.452 1.00 2.05 N ATOM 509 CA ARG A 36 0.308 -13.492 1.535 1.00 2.00 C ATOM 510 C ARG A 36 1.143 -13.771 2.783 1.00 2.04 C ATOM 511 O ARG A 36 0.695 -13.529 3.905 1.00 2.72 O ATOM 512 CB ARG A 36 -1.183 -13.622 1.873 1.00 2.08 C ATOM 513 CG ARG A 36 -1.979 -12.333 1.695 1.00 1.74 C ATOM 514 CD ARG A 36 -2.710 -12.316 0.358 1.00 2.68 C ATOM 515 NE ARG A 36 -1.870 -12.789 -0.741 1.00 3.20 N ATOM 516 CZ ARG A 36 -2.340 -13.121 -1.940 1.00 3.94 C ATOM 517 NH1 ARG A 36 -3.642 -13.052 -2.192 1.00 4.27 N ATOM 518 NH2 ARG A 36 -1.509 -13.523 -2.892 1.00 4.76 N ATOM 0 H ARG A 36 0.119 -15.261 0.418 1.00 2.05 H new ATOM 0 HA ARG A 36 0.509 -12.476 1.197 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -1.621 -14.396 1.243 1.00 2.08 H new ATOM 0 HB3 ARG A 36 -1.282 -13.957 2.905 1.00 2.08 H new ATOM 0 HG2 ARG A 36 -2.699 -12.232 2.507 1.00 1.74 H new ATOM 0 HG3 ARG A 36 -1.307 -11.477 1.756 1.00 1.74 H new ATOM 0 HD2 ARG A 36 -3.601 -12.940 0.426 1.00 2.68 H new ATOM 0 HD3 ARG A 36 -3.047 -11.302 0.144 1.00 2.68 H new ATOM 0 HE ARG A 36 -0.866 -12.869 -0.579 1.00 3.20 H new ATOM 0 HH11 ARG A 36 -4.287 -12.743 -1.464 1.00 4.27 H new ATOM 0 HH12 ARG A 36 -3.997 -13.308 -3.113 1.00 4.27 H new ATOM 0 HH21 ARG A 36 -0.508 -13.578 -2.705 1.00 4.76 H new ATOM 0 HH22 ARG A 36 -1.871 -13.777 -3.811 1.00 4.76 H new ATOM 532 N GLY A 37 2.352 -14.286 2.585 1.00 1.75 N ATOM 533 CA GLY A 37 3.216 -14.591 3.706 1.00 2.21 C ATOM 534 C GLY A 37 3.876 -13.360 4.292 1.00 1.79 C ATOM 535 O GLY A 37 4.361 -13.396 5.423 1.00 2.20 O ATOM 0 H GLY A 37 2.747 -14.497 1.668 1.00 1.75 H new ATOM 0 HA2 GLY A 37 2.635 -15.090 4.482 1.00 2.21 H new ATOM 0 HA3 GLY A 37 3.986 -15.292 3.385 1.00 2.21 H new ATOM 539 N LYS A 38 3.894 -12.263 3.537 1.00 1.40 N ATOM 540 CA LYS A 38 4.502 -11.036 4.031 1.00 1.39 C ATOM 541 C LYS A 38 3.542 -10.309 4.960 1.00 1.23 C ATOM 542 O LYS A 38 2.620 -10.914 5.487 1.00 1.86 O ATOM 543 CB LYS A 38 4.946 -10.129 2.882 1.00 1.66 C ATOM 544 CG LYS A 38 3.852 -9.254 2.315 1.00 2.44 C ATOM 545 CD LYS A 38 4.202 -8.787 0.915 1.00 3.26 C ATOM 546 CE LYS A 38 3.939 -9.871 -0.119 1.00 4.06 C ATOM 547 NZ LYS A 38 5.191 -10.569 -0.526 1.00 4.85 N ATOM 0 H LYS A 38 3.501 -12.201 2.598 1.00 1.40 H new ATOM 0 HA LYS A 38 5.395 -11.304 4.596 1.00 1.39 H new ATOM 0 HB2 LYS A 38 5.758 -9.492 3.232 1.00 1.66 H new ATOM 0 HB3 LYS A 38 5.349 -10.749 2.081 1.00 1.66 H new ATOM 0 HG2 LYS A 38 2.913 -9.807 2.294 1.00 2.44 H new ATOM 0 HG3 LYS A 38 3.699 -8.391 2.963 1.00 2.44 H new ATOM 0 HD2 LYS A 38 3.618 -7.900 0.670 1.00 3.26 H new ATOM 0 HD3 LYS A 38 5.252 -8.497 0.880 1.00 3.26 H new ATOM 0 HE2 LYS A 38 3.235 -10.597 0.288 1.00 4.06 H new ATOM 0 HE3 LYS A 38 3.469 -9.428 -0.997 1.00 4.06 H new ATOM 0 HZ1 LYS A 38 5.006 -11.151 -1.368 1.00 4.85 H new ATOM 0 HZ2 LYS A 38 5.925 -9.866 -0.746 1.00 4.85 H new ATOM 0 HZ3 LYS A 38 5.517 -11.178 0.251 1.00 4.85 H new ATOM 561 N VAL A 39 3.781 -9.028 5.182 1.00 0.90 N ATOM 562 CA VAL A 39 2.953 -8.239 6.092 1.00 0.75 C ATOM 563 C VAL A 39 2.746 -6.810 5.576 1.00 0.80 C ATOM 564 O VAL A 39 1.877 -6.084 6.057 1.00 1.62 O ATOM 565 CB VAL A 39 3.600 -8.219 7.500 1.00 0.73 C ATOM 566 CG1 VAL A 39 4.996 -8.789 7.455 1.00 0.77 C ATOM 567 CG2 VAL A 39 3.615 -6.831 8.104 1.00 0.82 C ATOM 0 H VAL A 39 4.542 -8.507 4.746 1.00 0.90 H new ATOM 0 HA VAL A 39 1.971 -8.708 6.150 1.00 0.75 H new ATOM 0 HB VAL A 39 2.983 -8.846 8.143 1.00 0.73 H new ATOM 0 HG11 VAL A 39 5.431 -8.765 8.454 1.00 0.77 H new ATOM 0 HG12 VAL A 39 4.957 -9.819 7.101 1.00 0.77 H new ATOM 0 HG13 VAL A 39 5.610 -8.195 6.778 1.00 0.77 H new ATOM 0 HG21 VAL A 39 4.078 -6.868 9.090 1.00 0.82 H new ATOM 0 HG22 VAL A 39 4.185 -6.160 7.461 1.00 0.82 H new ATOM 0 HG23 VAL A 39 2.593 -6.463 8.197 1.00 0.82 H new ATOM 577 N VAL A 40 3.562 -6.437 4.600 1.00 1.00 N ATOM 578 CA VAL A 40 3.533 -5.114 3.967 1.00 0.94 C ATOM 579 C VAL A 40 2.666 -4.085 4.683 1.00 0.99 C ATOM 580 O VAL A 40 1.448 -4.048 4.517 1.00 1.40 O ATOM 581 CB VAL A 40 3.070 -5.192 2.504 1.00 1.03 C ATOM 582 CG1 VAL A 40 4.247 -5.489 1.592 1.00 1.25 C ATOM 583 CG2 VAL A 40 1.968 -6.230 2.340 1.00 1.31 C ATOM 0 H VAL A 40 4.278 -7.053 4.215 1.00 1.00 H new ATOM 0 HA VAL A 40 4.568 -4.776 4.029 1.00 0.94 H new ATOM 0 HB VAL A 40 2.657 -4.224 2.219 1.00 1.03 H new ATOM 0 HG11 VAL A 40 3.903 -5.541 0.559 1.00 1.25 H new ATOM 0 HG12 VAL A 40 4.990 -4.697 1.687 1.00 1.25 H new ATOM 0 HG13 VAL A 40 4.694 -6.442 1.874 1.00 1.25 H new ATOM 0 HG21 VAL A 40 1.656 -6.268 1.296 1.00 1.31 H new ATOM 0 HG22 VAL A 40 2.342 -7.208 2.643 1.00 1.31 H new ATOM 0 HG23 VAL A 40 1.116 -5.958 2.964 1.00 1.31 H new ATOM 593 N GLU A 41 3.329 -3.214 5.424 1.00 1.12 N ATOM 594 CA GLU A 41 2.678 -2.122 6.118 1.00 1.31 C ATOM 595 C GLU A 41 3.032 -0.833 5.388 1.00 1.09 C ATOM 596 O GLU A 41 4.025 -0.175 5.704 1.00 1.20 O ATOM 597 CB GLU A 41 3.131 -2.048 7.574 1.00 1.75 C ATOM 598 CG GLU A 41 2.561 -3.154 8.449 1.00 2.24 C ATOM 599 CD GLU A 41 1.073 -2.994 8.693 1.00 2.85 C ATOM 600 OE1 GLU A 41 0.697 -2.157 9.539 1.00 3.33 O ATOM 601 OE2 GLU A 41 0.286 -3.710 8.039 1.00 3.41 O ATOM 0 H GLU A 41 4.339 -3.247 5.560 1.00 1.12 H new ATOM 0 HA GLU A 41 1.599 -2.277 6.123 1.00 1.31 H new ATOM 0 HB2 GLU A 41 4.219 -2.094 7.609 1.00 1.75 H new ATOM 0 HB3 GLU A 41 2.839 -1.083 7.988 1.00 1.75 H new ATOM 0 HG2 GLU A 41 2.747 -4.119 7.976 1.00 2.24 H new ATOM 0 HG3 GLU A 41 3.084 -3.162 9.405 1.00 2.24 H new ATOM 608 N LEU A 42 2.240 -0.519 4.371 1.00 1.16 N ATOM 609 CA LEU A 42 2.471 0.658 3.539 1.00 1.39 C ATOM 610 C LEU A 42 2.744 1.914 4.360 1.00 1.07 C ATOM 611 O LEU A 42 2.668 1.906 5.590 1.00 1.33 O ATOM 612 CB LEU A 42 1.280 0.890 2.612 1.00 2.10 C ATOM 613 CG LEU A 42 1.649 1.270 1.178 1.00 2.81 C ATOM 614 CD1 LEU A 42 0.865 0.427 0.183 1.00 3.51 C ATOM 615 CD2 LEU A 42 1.411 2.754 0.933 1.00 3.51 C ATOM 0 H LEU A 42 1.424 -1.068 4.100 1.00 1.16 H new ATOM 0 HA LEU A 42 3.365 0.459 2.949 1.00 1.39 H new ATOM 0 HB2 LEU A 42 0.674 -0.016 2.589 1.00 2.10 H new ATOM 0 HB3 LEU A 42 0.658 1.679 3.034 1.00 2.10 H new ATOM 0 HG LEU A 42 2.711 1.070 1.035 1.00 2.81 H new ATOM 0 HD11 LEU A 42 1.141 0.712 -0.832 1.00 3.51 H new ATOM 0 HD12 LEU A 42 1.094 -0.627 0.339 1.00 3.51 H new ATOM 0 HD13 LEU A 42 -0.203 0.592 0.328 1.00 3.51 H new ATOM 0 HD21 LEU A 42 1.681 3.001 -0.094 1.00 3.51 H new ATOM 0 HD22 LEU A 42 0.359 2.986 1.098 1.00 3.51 H new ATOM 0 HD23 LEU A 42 2.023 3.339 1.620 1.00 3.51 H new ATOM 627 N GLY A 43 3.072 2.991 3.653 1.00 0.94 N ATOM 628 CA GLY A 43 3.370 4.256 4.286 1.00 1.07 C ATOM 629 C GLY A 43 4.184 5.159 3.381 1.00 0.96 C ATOM 630 O GLY A 43 5.068 4.695 2.660 1.00 1.16 O ATOM 0 H GLY A 43 3.136 3.005 2.635 1.00 0.94 H new ATOM 0 HA2 GLY A 43 2.440 4.755 4.557 1.00 1.07 H new ATOM 0 HA3 GLY A 43 3.918 4.079 5.212 1.00 1.07 H new ATOM 634 N CYS A 44 3.879 6.447 3.412 1.00 0.84 N ATOM 635 CA CYS A 44 4.580 7.429 2.589 1.00 0.76 C ATOM 636 C CYS A 44 5.966 7.727 3.170 1.00 0.86 C ATOM 637 O CYS A 44 6.122 7.865 4.381 1.00 1.07 O ATOM 638 CB CYS A 44 3.739 8.709 2.497 1.00 0.81 C ATOM 639 SG CYS A 44 4.049 9.725 1.016 1.00 1.35 S ATOM 0 H CYS A 44 3.146 6.842 4.001 1.00 0.84 H new ATOM 0 HA CYS A 44 4.720 7.024 1.587 1.00 0.76 H new ATOM 0 HB2 CYS A 44 2.684 8.436 2.518 1.00 0.81 H new ATOM 0 HB3 CYS A 44 3.929 9.316 3.382 1.00 0.81 H new ATOM 644 N ALA A 45 6.973 7.812 2.300 1.00 0.87 N ATOM 645 CA ALA A 45 8.343 8.083 2.735 1.00 1.04 C ATOM 646 C ALA A 45 8.841 9.412 2.183 1.00 1.05 C ATOM 647 O ALA A 45 8.231 9.981 1.283 1.00 1.16 O ATOM 648 CB ALA A 45 9.271 6.956 2.309 1.00 1.21 C ATOM 0 H ALA A 45 6.866 7.697 1.292 1.00 0.87 H new ATOM 0 HA ALA A 45 8.342 8.145 3.823 1.00 1.04 H new ATOM 0 HB1 ALA A 45 10.286 7.175 2.641 1.00 1.21 H new ATOM 0 HB2 ALA A 45 8.937 6.020 2.757 1.00 1.21 H new ATOM 0 HB3 ALA A 45 9.257 6.864 1.223 1.00 1.21 H new ATOM 654 N ALA A 46 9.948 9.906 2.731 1.00 1.25 N ATOM 655 CA ALA A 46 10.513 11.178 2.292 1.00 1.34 C ATOM 656 C ALA A 46 11.860 11.003 1.599 1.00 1.36 C ATOM 657 O ALA A 46 12.186 11.744 0.672 1.00 1.78 O ATOM 658 CB ALA A 46 10.653 12.121 3.476 1.00 1.57 C ATOM 0 H ALA A 46 10.470 9.446 3.477 1.00 1.25 H new ATOM 0 HA ALA A 46 9.826 11.605 1.562 1.00 1.34 H new ATOM 0 HB1 ALA A 46 11.075 13.068 3.139 1.00 1.57 H new ATOM 0 HB2 ALA A 46 9.673 12.298 3.918 1.00 1.57 H new ATOM 0 HB3 ALA A 46 11.312 11.674 4.221 1.00 1.57 H new ATOM 664 N THR A 47 12.648 10.035 2.053 1.00 1.21 N ATOM 665 CA THR A 47 13.965 9.799 1.466 1.00 1.35 C ATOM 666 C THR A 47 14.226 8.315 1.229 1.00 1.45 C ATOM 667 O THR A 47 14.950 7.951 0.303 1.00 2.27 O ATOM 668 CB THR A 47 15.056 10.378 2.364 1.00 1.55 C ATOM 669 OG1 THR A 47 14.686 11.656 2.847 1.00 2.06 O ATOM 670 CG2 THR A 47 16.393 10.520 1.666 1.00 2.18 C ATOM 0 H THR A 47 12.403 9.406 2.818 1.00 1.21 H new ATOM 0 HA THR A 47 13.983 10.300 0.498 1.00 1.35 H new ATOM 0 HB THR A 47 15.164 9.665 3.181 1.00 1.55 H new ATOM 0 HG1 THR A 47 15.398 12.008 3.421 1.00 2.06 H new ATOM 0 HG21 THR A 47 17.123 10.937 2.360 1.00 2.18 H new ATOM 0 HG22 THR A 47 16.732 9.541 1.327 1.00 2.18 H new ATOM 0 HG23 THR A 47 16.287 11.184 0.808 1.00 2.18 H new ATOM 678 N CYS A 48 13.639 7.463 2.059 1.00 1.30 N ATOM 679 CA CYS A 48 13.817 6.027 1.917 1.00 1.60 C ATOM 680 C CYS A 48 15.287 5.626 2.081 1.00 1.50 C ATOM 681 O CYS A 48 16.120 5.924 1.225 1.00 1.89 O ATOM 682 CB CYS A 48 13.302 5.583 0.553 1.00 2.23 C ATOM 683 SG CYS A 48 13.687 3.861 0.127 1.00 2.27 S ATOM 0 H CYS A 48 13.038 7.741 2.835 1.00 1.30 H new ATOM 0 HA CYS A 48 13.248 5.531 2.704 1.00 1.60 H new ATOM 0 HB2 CYS A 48 12.221 5.718 0.526 1.00 2.23 H new ATOM 0 HB3 CYS A 48 13.724 6.236 -0.211 1.00 2.23 H new ATOM 688 N PRO A 49 15.622 4.943 3.191 1.00 1.67 N ATOM 689 CA PRO A 49 16.994 4.496 3.476 1.00 2.01 C ATOM 690 C PRO A 49 17.398 3.235 2.721 1.00 1.97 C ATOM 691 O PRO A 49 18.465 2.671 2.961 1.00 2.38 O ATOM 692 CB PRO A 49 16.943 4.203 4.967 1.00 2.64 C ATOM 693 CG PRO A 49 15.545 3.745 5.197 1.00 2.84 C ATOM 694 CD PRO A 49 14.689 4.558 4.267 1.00 2.20 C ATOM 0 HA PRO A 49 17.726 5.244 3.172 1.00 2.01 H new ATOM 0 HB2 PRO A 49 17.665 3.437 5.248 1.00 2.64 H new ATOM 0 HB3 PRO A 49 17.174 5.090 5.556 1.00 2.64 H new ATOM 0 HG2 PRO A 49 15.444 2.680 4.991 1.00 2.84 H new ATOM 0 HG3 PRO A 49 15.249 3.898 6.235 1.00 2.84 H new ATOM 0 HD2 PRO A 49 13.850 3.978 3.883 1.00 2.20 H new ATOM 0 HD3 PRO A 49 14.270 5.431 4.767 1.00 2.20 H new ATOM 702 N SER A 50 16.530 2.806 1.822 1.00 2.11 N ATOM 703 CA SER A 50 16.750 1.600 1.008 1.00 2.30 C ATOM 704 C SER A 50 18.235 1.336 0.749 1.00 1.95 C ATOM 705 O SER A 50 19.000 2.257 0.456 1.00 2.12 O ATOM 706 CB SER A 50 16.014 1.719 -0.328 1.00 3.06 C ATOM 707 OG SER A 50 14.705 1.183 -0.239 1.00 3.47 O ATOM 0 H SER A 50 15.647 3.278 1.627 1.00 2.11 H new ATOM 0 HA SER A 50 16.355 0.758 1.576 1.00 2.30 H new ATOM 0 HB2 SER A 50 15.962 2.766 -0.626 1.00 3.06 H new ATOM 0 HB3 SER A 50 16.573 1.194 -1.103 1.00 3.06 H new ATOM 0 HG SER A 50 14.051 1.877 -0.466 1.00 3.47 H new ATOM 713 N LYS A 51 18.631 0.069 0.865 1.00 1.81 N ATOM 714 CA LYS A 51 20.019 -0.341 0.652 1.00 1.81 C ATOM 715 C LYS A 51 20.229 -1.768 1.154 1.00 1.86 C ATOM 716 O LYS A 51 20.639 -1.976 2.296 1.00 2.42 O ATOM 717 CB LYS A 51 20.984 0.609 1.372 1.00 2.17 C ATOM 718 CG LYS A 51 21.919 1.356 0.434 1.00 2.27 C ATOM 719 CD LYS A 51 23.288 1.565 1.064 1.00 2.64 C ATOM 720 CE LYS A 51 23.206 2.465 2.288 1.00 3.02 C ATOM 721 NZ LYS A 51 22.649 1.747 3.469 1.00 3.62 N ATOM 0 H LYS A 51 18.004 -0.698 1.108 1.00 1.81 H new ATOM 0 HA LYS A 51 20.225 -0.302 -0.418 1.00 1.81 H new ATOM 0 HB2 LYS A 51 20.406 1.333 1.947 1.00 2.17 H new ATOM 0 HB3 LYS A 51 21.579 0.037 2.085 1.00 2.17 H new ATOM 0 HG2 LYS A 51 22.026 0.797 -0.496 1.00 2.27 H new ATOM 0 HG3 LYS A 51 21.484 2.322 0.177 1.00 2.27 H new ATOM 0 HD2 LYS A 51 23.710 0.601 1.347 1.00 2.64 H new ATOM 0 HD3 LYS A 51 23.964 2.006 0.331 1.00 2.64 H new ATOM 0 HE2 LYS A 51 24.200 2.843 2.528 1.00 3.02 H new ATOM 0 HE3 LYS A 51 22.582 3.330 2.062 1.00 3.02 H new ATOM 0 HZ1 LYS A 51 23.088 2.115 4.337 1.00 3.62 H new ATOM 0 HZ2 LYS A 51 21.620 1.894 3.512 1.00 3.62 H new ATOM 0 HZ3 LYS A 51 22.850 0.730 3.383 1.00 3.62 H new ATOM 735 N LYS A 52 19.927 -2.752 0.306 1.00 1.89 N ATOM 736 CA LYS A 52 20.069 -4.156 0.685 1.00 2.02 C ATOM 737 C LYS A 52 19.364 -4.405 2.016 1.00 1.85 C ATOM 738 O LYS A 52 20.005 -4.473 3.066 1.00 2.17 O ATOM 739 CB LYS A 52 21.546 -4.545 0.798 1.00 2.50 C ATOM 740 CG LYS A 52 22.440 -3.856 -0.223 1.00 2.79 C ATOM 741 CD LYS A 52 23.912 -4.103 0.071 1.00 2.92 C ATOM 742 CE LYS A 52 24.364 -3.356 1.316 1.00 2.95 C ATOM 743 NZ LYS A 52 24.226 -1.880 1.163 1.00 3.19 N ATOM 0 H LYS A 52 19.584 -2.603 -0.643 1.00 1.89 H new ATOM 0 HA LYS A 52 19.611 -4.770 -0.090 1.00 2.02 H new ATOM 0 HB2 LYS A 52 21.901 -4.303 1.800 1.00 2.50 H new ATOM 0 HB3 LYS A 52 21.638 -5.625 0.679 1.00 2.50 H new ATOM 0 HG2 LYS A 52 22.201 -4.220 -1.222 1.00 2.79 H new ATOM 0 HG3 LYS A 52 22.241 -2.784 -0.218 1.00 2.79 H new ATOM 0 HD2 LYS A 52 24.083 -5.171 0.204 1.00 2.92 H new ATOM 0 HD3 LYS A 52 24.513 -3.788 -0.782 1.00 2.92 H new ATOM 0 HE2 LYS A 52 23.776 -3.688 2.172 1.00 2.95 H new ATOM 0 HE3 LYS A 52 25.404 -3.603 1.529 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 24.835 -1.401 1.856 1.00 3.19 H new ATOM 0 HZ2 LYS A 52 24.510 -1.603 0.202 1.00 3.19 H new ATOM 0 HZ3 LYS A 52 23.236 -1.605 1.324 1.00 3.19 H new ATOM 757 N PRO A 53 18.026 -4.508 1.993 1.00 1.54 N ATOM 758 CA PRO A 53 17.232 -4.709 3.201 1.00 1.53 C ATOM 759 C PRO A 53 17.166 -6.148 3.666 1.00 1.70 C ATOM 760 O PRO A 53 17.154 -6.408 4.868 1.00 2.18 O ATOM 761 CB PRO A 53 15.836 -4.253 2.784 1.00 1.31 C ATOM 762 CG PRO A 53 15.769 -4.527 1.321 1.00 1.55 C ATOM 763 CD PRO A 53 17.179 -4.403 0.790 1.00 1.49 C ATOM 0 HA PRO A 53 17.669 -4.166 4.039 1.00 1.53 H new ATOM 0 HB2 PRO A 53 15.063 -4.799 3.325 1.00 1.31 H new ATOM 0 HB3 PRO A 53 15.686 -3.194 2.996 1.00 1.31 H new ATOM 0 HG2 PRO A 53 15.371 -5.524 1.132 1.00 1.55 H new ATOM 0 HG3 PRO A 53 15.105 -3.819 0.825 1.00 1.55 H new ATOM 0 HD2 PRO A 53 17.406 -5.192 0.073 1.00 1.49 H new ATOM 0 HD3 PRO A 53 17.330 -3.453 0.278 1.00 1.49 H new ATOM 771 N TYR A 54 17.044 -7.080 2.721 1.00 1.87 N ATOM 772 CA TYR A 54 16.891 -8.493 3.072 1.00 2.10 C ATOM 773 C TYR A 54 15.841 -8.597 4.177 1.00 1.75 C ATOM 774 O TYR A 54 15.885 -9.488 5.023 1.00 2.06 O ATOM 775 CB TYR A 54 18.224 -9.103 3.522 1.00 2.60 C ATOM 776 CG TYR A 54 18.793 -8.489 4.782 1.00 3.05 C ATOM 777 CD1 TYR A 54 18.458 -8.988 6.034 1.00 3.32 C ATOM 778 CD2 TYR A 54 19.665 -7.408 4.717 1.00 3.73 C ATOM 779 CE1 TYR A 54 18.975 -8.427 7.186 1.00 3.91 C ATOM 780 CE2 TYR A 54 20.187 -6.844 5.865 1.00 4.38 C ATOM 781 CZ TYR A 54 19.837 -7.356 7.097 1.00 4.33 C ATOM 782 OH TYR A 54 20.353 -6.795 8.242 1.00 5.08 O ATOM 0 H TYR A 54 17.048 -6.887 1.719 1.00 1.87 H new ATOM 0 HA TYR A 54 16.568 -9.056 2.196 1.00 2.10 H new ATOM 0 HB2 TYR A 54 18.086 -10.172 3.683 1.00 2.60 H new ATOM 0 HB3 TYR A 54 18.951 -8.993 2.717 1.00 2.60 H new ATOM 0 HD1 TYR A 54 17.783 -9.828 6.108 1.00 3.32 H new ATOM 0 HD2 TYR A 54 19.939 -7.003 3.754 1.00 3.73 H new ATOM 0 HE1 TYR A 54 18.704 -8.826 8.152 1.00 3.91 H new ATOM 0 HE2 TYR A 54 20.866 -6.007 5.798 1.00 4.38 H new ATOM 0 HH TYR A 54 20.944 -6.051 8.004 1.00 5.08 H new ATOM 792 N GLU A 55 14.917 -7.624 4.141 1.00 1.38 N ATOM 793 CA GLU A 55 13.826 -7.470 5.101 1.00 1.41 C ATOM 794 C GLU A 55 13.873 -6.059 5.674 1.00 1.82 C ATOM 795 O GLU A 55 14.524 -5.808 6.687 1.00 2.76 O ATOM 796 CB GLU A 55 13.883 -8.506 6.231 1.00 1.83 C ATOM 797 CG GLU A 55 12.772 -8.348 7.257 1.00 2.25 C ATOM 798 CD GLU A 55 13.250 -8.574 8.677 1.00 2.84 C ATOM 799 OE1 GLU A 55 13.993 -9.551 8.906 1.00 3.44 O ATOM 800 OE2 GLU A 55 12.882 -7.773 9.563 1.00 3.23 O ATOM 0 H GLU A 55 14.913 -6.904 3.419 1.00 1.38 H new ATOM 0 HA GLU A 55 12.886 -7.638 4.575 1.00 1.41 H new ATOM 0 HB2 GLU A 55 13.829 -9.506 5.800 1.00 1.83 H new ATOM 0 HB3 GLU A 55 14.846 -8.429 6.736 1.00 1.83 H new ATOM 0 HG2 GLU A 55 12.348 -7.347 7.176 1.00 2.25 H new ATOM 0 HG3 GLU A 55 11.972 -9.053 7.031 1.00 2.25 H new ATOM 807 N GLU A 56 13.193 -5.139 4.998 1.00 1.48 N ATOM 808 CA GLU A 56 13.163 -3.743 5.408 1.00 2.23 C ATOM 809 C GLU A 56 12.112 -2.988 4.596 1.00 1.95 C ATOM 810 O GLU A 56 11.028 -3.518 4.349 1.00 2.10 O ATOM 811 CB GLU A 56 14.552 -3.117 5.241 1.00 3.00 C ATOM 812 CG GLU A 56 14.908 -2.130 6.339 1.00 3.90 C ATOM 813 CD GLU A 56 16.294 -1.539 6.164 1.00 4.81 C ATOM 814 OE1 GLU A 56 16.628 -1.133 5.031 1.00 5.23 O ATOM 815 OE2 GLU A 56 17.044 -1.481 7.162 1.00 5.45 O ATOM 0 H GLU A 56 12.652 -5.339 4.157 1.00 1.48 H new ATOM 0 HA GLU A 56 12.890 -3.678 6.461 1.00 2.23 H new ATOM 0 HB2 GLU A 56 15.299 -3.910 5.220 1.00 3.00 H new ATOM 0 HB3 GLU A 56 14.599 -2.609 4.278 1.00 3.00 H new ATOM 0 HG2 GLU A 56 14.173 -1.325 6.352 1.00 3.90 H new ATOM 0 HG3 GLU A 56 14.850 -2.631 7.306 1.00 3.90 H new ATOM 822 N VAL A 57 12.407 -1.755 4.192 1.00 1.67 N ATOM 823 CA VAL A 57 11.434 -0.979 3.428 1.00 1.42 C ATOM 824 C VAL A 57 11.779 -0.887 1.946 1.00 1.40 C ATOM 825 O VAL A 57 12.894 -0.519 1.572 1.00 1.59 O ATOM 826 CB VAL A 57 11.276 0.451 3.977 1.00 1.41 C ATOM 827 CG1 VAL A 57 10.094 1.146 3.310 1.00 1.30 C ATOM 828 CG2 VAL A 57 11.115 0.435 5.490 1.00 1.54 C ATOM 0 H VAL A 57 13.291 -1.280 4.375 1.00 1.67 H new ATOM 0 HA VAL A 57 10.496 -1.523 3.538 1.00 1.42 H new ATOM 0 HB VAL A 57 12.181 1.013 3.744 1.00 1.41 H new ATOM 0 HG11 VAL A 57 9.994 2.156 3.708 1.00 1.30 H new ATOM 0 HG12 VAL A 57 10.260 1.195 2.234 1.00 1.30 H new ATOM 0 HG13 VAL A 57 9.181 0.585 3.511 1.00 1.30 H new ATOM 0 HG21 VAL A 57 11.005 1.456 5.855 1.00 1.54 H new ATOM 0 HG22 VAL A 57 10.230 -0.143 5.756 1.00 1.54 H new ATOM 0 HG23 VAL A 57 11.995 -0.020 5.945 1.00 1.54 H new ATOM 838 N THR A 58 10.787 -1.181 1.111 1.00 1.27 N ATOM 839 CA THR A 58 10.931 -1.092 -0.337 1.00 1.34 C ATOM 840 C THR A 58 10.157 0.127 -0.818 1.00 1.12 C ATOM 841 O THR A 58 8.934 0.183 -0.688 1.00 1.30 O ATOM 842 CB THR A 58 10.412 -2.359 -1.018 1.00 1.50 C ATOM 843 OG1 THR A 58 11.005 -3.512 -0.451 1.00 2.10 O ATOM 844 CG2 THR A 58 10.679 -2.383 -2.507 1.00 1.84 C ATOM 0 H THR A 58 9.864 -1.487 1.418 1.00 1.27 H new ATOM 0 HA THR A 58 11.985 -0.993 -0.595 1.00 1.34 H new ATOM 0 HB THR A 58 9.334 -2.357 -0.859 1.00 1.50 H new ATOM 0 HG1 THR A 58 10.720 -4.306 -0.951 1.00 2.10 H new ATOM 0 HG21 THR A 58 10.287 -3.307 -2.932 1.00 1.84 H new ATOM 0 HG22 THR A 58 10.190 -1.531 -2.978 1.00 1.84 H new ATOM 0 HG23 THR A 58 11.753 -2.329 -2.685 1.00 1.84 H new ATOM 852 N CYS A 59 10.871 1.127 -1.316 1.00 0.96 N ATOM 853 CA CYS A 59 10.231 2.366 -1.743 1.00 0.91 C ATOM 854 C CYS A 59 10.203 2.545 -3.250 1.00 0.85 C ATOM 855 O CYS A 59 10.663 1.693 -4.010 1.00 0.97 O ATOM 856 CB CYS A 59 10.974 3.543 -1.131 1.00 1.12 C ATOM 857 SG CYS A 59 12.721 3.615 -1.632 1.00 1.76 S ATOM 0 H CYS A 59 11.884 1.107 -1.434 1.00 0.96 H new ATOM 0 HA CYS A 59 9.196 2.318 -1.404 1.00 0.91 H new ATOM 0 HB2 CYS A 59 10.479 4.470 -1.422 1.00 1.12 H new ATOM 0 HB3 CYS A 59 10.915 3.478 -0.045 1.00 1.12 H new ATOM 862 N CYS A 60 9.671 3.694 -3.663 1.00 0.81 N ATOM 863 CA CYS A 60 9.588 4.047 -5.075 1.00 0.92 C ATOM 864 C CYS A 60 9.435 5.553 -5.234 1.00 1.07 C ATOM 865 O CYS A 60 8.349 6.093 -5.031 1.00 1.18 O ATOM 866 CB CYS A 60 8.420 3.334 -5.764 1.00 1.06 C ATOM 867 SG CYS A 60 8.333 3.655 -7.559 1.00 1.28 S ATOM 0 H CYS A 60 9.289 4.399 -3.033 1.00 0.81 H new ATOM 0 HA CYS A 60 10.514 3.723 -5.551 1.00 0.92 H new ATOM 0 HB2 CYS A 60 8.510 2.260 -5.598 1.00 1.06 H new ATOM 0 HB3 CYS A 60 7.486 3.651 -5.300 1.00 1.06 H new ATOM 872 N SER A 61 10.535 6.220 -5.593 1.00 1.42 N ATOM 873 CA SER A 61 10.545 7.673 -5.781 1.00 1.75 C ATOM 874 C SER A 61 9.352 8.125 -6.610 1.00 1.50 C ATOM 875 O SER A 61 9.470 8.334 -7.816 1.00 2.04 O ATOM 876 CB SER A 61 11.843 8.103 -6.469 1.00 2.45 C ATOM 877 OG SER A 61 11.972 7.496 -7.742 1.00 3.07 O ATOM 0 H SER A 61 11.436 5.773 -5.760 1.00 1.42 H new ATOM 0 HA SER A 61 10.480 8.142 -4.799 1.00 1.75 H new ATOM 0 HB2 SER A 61 11.859 9.188 -6.577 1.00 2.45 H new ATOM 0 HB3 SER A 61 12.695 7.832 -5.846 1.00 2.45 H new ATOM 0 HG SER A 61 11.159 7.657 -8.265 1.00 3.07 H new ATOM 883 N THR A 62 8.196 8.263 -5.963 1.00 1.19 N ATOM 884 CA THR A 62 6.981 8.675 -6.650 1.00 1.51 C ATOM 885 C THR A 62 5.769 8.519 -5.736 1.00 1.17 C ATOM 886 O THR A 62 5.897 8.300 -4.535 1.00 1.76 O ATOM 887 CB THR A 62 6.776 7.851 -7.932 1.00 2.24 C ATOM 888 OG1 THR A 62 7.533 6.650 -7.889 1.00 2.63 O ATOM 889 CG2 THR A 62 7.149 8.604 -9.194 1.00 3.17 C ATOM 0 H THR A 62 8.079 8.095 -4.964 1.00 1.19 H new ATOM 0 HA THR A 62 7.087 9.726 -6.921 1.00 1.51 H new ATOM 0 HB THR A 62 5.709 7.632 -7.969 1.00 2.24 H new ATOM 0 HG1 THR A 62 8.437 6.821 -8.227 1.00 2.63 H new ATOM 0 HG21 THR A 62 6.981 7.966 -10.062 1.00 3.17 H new ATOM 0 HG22 THR A 62 6.534 9.500 -9.278 1.00 3.17 H new ATOM 0 HG23 THR A 62 8.200 8.888 -9.151 1.00 3.17 H new ATOM 897 N ASP A 63 4.596 8.630 -6.327 1.00 1.15 N ATOM 898 CA ASP A 63 3.346 8.502 -5.598 1.00 1.03 C ATOM 899 C ASP A 63 2.959 7.037 -5.456 1.00 1.09 C ATOM 900 O ASP A 63 3.828 6.191 -5.277 1.00 1.65 O ATOM 901 CB ASP A 63 2.238 9.300 -6.299 1.00 1.37 C ATOM 902 CG ASP A 63 2.758 10.543 -6.998 1.00 1.72 C ATOM 903 OD1 ASP A 63 3.546 10.398 -7.957 1.00 2.35 O ATOM 904 OD2 ASP A 63 2.375 11.659 -6.590 1.00 2.19 O ATOM 0 H ASP A 63 4.481 8.811 -7.324 1.00 1.15 H new ATOM 0 HA ASP A 63 3.480 8.912 -4.597 1.00 1.03 H new ATOM 0 HB2 ASP A 63 1.742 8.660 -7.028 1.00 1.37 H new ATOM 0 HB3 ASP A 63 1.486 9.590 -5.565 1.00 1.37 H new ATOM 909 N LYS A 64 1.658 6.749 -5.520 1.00 0.90 N ATOM 910 CA LYS A 64 1.151 5.382 -5.385 1.00 0.95 C ATOM 911 C LYS A 64 1.937 4.399 -6.252 1.00 0.92 C ATOM 912 O LYS A 64 1.406 3.809 -7.191 1.00 1.04 O ATOM 913 CB LYS A 64 -0.349 5.321 -5.728 1.00 1.17 C ATOM 914 CG LYS A 64 -0.685 5.559 -7.199 1.00 1.41 C ATOM 915 CD LYS A 64 0.011 6.790 -7.759 1.00 1.82 C ATOM 916 CE LYS A 64 -0.421 7.077 -9.190 1.00 2.05 C ATOM 917 NZ LYS A 64 -1.006 8.440 -9.331 1.00 2.31 N ATOM 0 H LYS A 64 0.931 7.450 -5.666 1.00 0.90 H new ATOM 0 HA LYS A 64 1.285 5.086 -4.344 1.00 0.95 H new ATOM 0 HB2 LYS A 64 -0.734 4.344 -5.437 1.00 1.17 H new ATOM 0 HB3 LYS A 64 -0.874 6.063 -5.126 1.00 1.17 H new ATOM 0 HG2 LYS A 64 -0.395 4.684 -7.781 1.00 1.41 H new ATOM 0 HG3 LYS A 64 -1.763 5.673 -7.309 1.00 1.41 H new ATOM 0 HD2 LYS A 64 -0.213 7.652 -7.131 1.00 1.82 H new ATOM 0 HD3 LYS A 64 1.091 6.644 -7.727 1.00 1.82 H new ATOM 0 HE2 LYS A 64 0.437 6.980 -9.855 1.00 2.05 H new ATOM 0 HE3 LYS A 64 -1.153 6.333 -9.504 1.00 2.05 H new ATOM 0 HZ1 LYS A 64 -1.287 8.596 -10.320 1.00 2.31 H new ATOM 0 HZ2 LYS A 64 -1.840 8.525 -8.716 1.00 2.31 H new ATOM 0 HZ3 LYS A 64 -0.299 9.151 -9.056 1.00 2.31 H new ATOM 931 N CYS A 65 3.211 4.229 -5.923 1.00 0.87 N ATOM 932 CA CYS A 65 4.080 3.323 -6.662 1.00 0.95 C ATOM 933 C CYS A 65 4.453 2.106 -5.819 1.00 0.99 C ATOM 934 O CYS A 65 5.610 1.686 -5.798 1.00 1.20 O ATOM 935 CB CYS A 65 5.349 4.053 -7.113 1.00 1.07 C ATOM 936 SG CYS A 65 6.481 3.027 -8.108 1.00 1.10 S ATOM 0 H CYS A 65 3.667 4.709 -5.146 1.00 0.87 H new ATOM 0 HA CYS A 65 3.534 2.977 -7.540 1.00 0.95 H new ATOM 0 HB2 CYS A 65 5.064 4.930 -7.694 1.00 1.07 H new ATOM 0 HB3 CYS A 65 5.881 4.413 -6.232 1.00 1.07 H new ATOM 941 N ASN A 66 3.476 1.534 -5.121 1.00 0.97 N ATOM 942 CA ASN A 66 3.746 0.365 -4.297 1.00 1.10 C ATOM 943 C ASN A 66 2.483 -0.456 -4.007 1.00 1.10 C ATOM 944 O ASN A 66 2.294 -0.939 -2.891 1.00 1.36 O ATOM 945 CB ASN A 66 4.441 0.789 -2.995 1.00 1.36 C ATOM 946 CG ASN A 66 3.479 1.267 -1.922 1.00 1.42 C ATOM 947 OD1 ASN A 66 3.381 0.659 -0.859 1.00 2.26 O ATOM 948 ND2 ASN A 66 2.769 2.358 -2.193 1.00 1.30 N ATOM 0 H ASN A 66 2.508 1.855 -5.110 1.00 0.97 H new ATOM 0 HA ASN A 66 4.413 -0.287 -4.861 1.00 1.10 H new ATOM 0 HB2 ASN A 66 5.015 -0.053 -2.608 1.00 1.36 H new ATOM 0 HB3 ASN A 66 5.152 1.585 -3.215 1.00 1.36 H new ATOM 0 HD21 ASN A 66 2.110 2.722 -1.504 1.00 1.30 H new ATOM 0 HD22 ASN A 66 2.883 2.831 -3.090 1.00 1.30 H new ATOM 955 N PRO A 67 1.611 -0.646 -5.013 1.00 1.16 N ATOM 956 CA PRO A 67 0.383 -1.433 -4.853 1.00 1.40 C ATOM 957 C PRO A 67 0.686 -2.891 -4.480 1.00 1.32 C ATOM 958 O PRO A 67 0.868 -3.201 -3.303 1.00 2.15 O ATOM 959 CB PRO A 67 -0.295 -1.336 -6.229 1.00 1.82 C ATOM 960 CG PRO A 67 0.809 -0.992 -7.171 1.00 1.96 C ATOM 961 CD PRO A 67 1.754 -0.129 -6.383 1.00 1.39 C ATOM 0 HA PRO A 67 -0.247 -1.061 -4.045 1.00 1.40 H new ATOM 0 HB2 PRO A 67 -0.771 -2.277 -6.503 1.00 1.82 H new ATOM 0 HB3 PRO A 67 -1.073 -0.572 -6.234 1.00 1.82 H new ATOM 0 HG2 PRO A 67 1.308 -1.890 -7.535 1.00 1.96 H new ATOM 0 HG3 PRO A 67 0.429 -0.462 -8.044 1.00 1.96 H new ATOM 0 HD2 PRO A 67 2.779 -0.219 -6.743 1.00 1.39 H new ATOM 0 HD3 PRO A 67 1.486 0.926 -6.446 1.00 1.39 H new ATOM 969 N HIS A 68 0.756 -3.777 -5.483 1.00 1.17 N ATOM 970 CA HIS A 68 1.052 -5.194 -5.255 1.00 1.35 C ATOM 971 C HIS A 68 0.626 -6.044 -6.454 1.00 1.64 C ATOM 972 O HIS A 68 1.465 -6.647 -7.123 1.00 1.88 O ATOM 973 CB HIS A 68 0.362 -5.712 -3.986 1.00 1.54 C ATOM 974 CG HIS A 68 1.315 -5.990 -2.867 1.00 1.41 C ATOM 975 ND1 HIS A 68 2.606 -6.428 -3.074 1.00 1.87 N ATOM 976 CD2 HIS A 68 1.162 -5.891 -1.528 1.00 1.36 C ATOM 977 CE1 HIS A 68 3.204 -6.588 -1.909 1.00 2.07 C ATOM 978 NE2 HIS A 68 2.351 -6.268 -0.953 1.00 1.71 N ATOM 0 H HIS A 68 0.611 -3.534 -6.463 1.00 1.17 H new ATOM 0 HA HIS A 68 2.131 -5.280 -5.125 1.00 1.35 H new ATOM 0 HB2 HIS A 68 -0.373 -4.978 -3.655 1.00 1.54 H new ATOM 0 HB3 HIS A 68 -0.184 -6.625 -4.224 1.00 1.54 H new ATOM 0 HD1 HIS A 68 3.032 -6.601 -3.985 1.00 1.87 H new ATOM 0 HD2 HIS A 68 0.271 -5.574 -1.007 1.00 1.36 H new ATOM 0 HE1 HIS A 68 4.220 -6.924 -1.762 1.00 2.07 H new ATOM 987 N PRO A 69 -0.688 -6.110 -6.737 1.00 2.29 N ATOM 988 CA PRO A 69 -1.216 -6.897 -7.856 1.00 2.71 C ATOM 989 C PRO A 69 -0.955 -6.244 -9.208 1.00 2.34 C ATOM 990 O PRO A 69 -0.978 -6.911 -10.243 1.00 3.02 O ATOM 991 CB PRO A 69 -2.718 -6.941 -7.572 1.00 3.76 C ATOM 992 CG PRO A 69 -2.990 -5.685 -6.820 1.00 4.04 C ATOM 993 CD PRO A 69 -1.764 -5.426 -5.987 1.00 3.10 C ATOM 0 HA PRO A 69 -0.744 -7.877 -7.921 1.00 2.71 H new ATOM 0 HB2 PRO A 69 -3.296 -6.984 -8.495 1.00 3.76 H new ATOM 0 HB3 PRO A 69 -2.986 -7.821 -6.987 1.00 3.76 H new ATOM 0 HG2 PRO A 69 -3.181 -4.856 -7.501 1.00 4.04 H new ATOM 0 HG3 PRO A 69 -3.874 -5.791 -6.191 1.00 4.04 H new ATOM 0 HD2 PRO A 69 -1.566 -4.359 -5.884 1.00 3.10 H new ATOM 0 HD3 PRO A 69 -1.870 -5.829 -4.980 1.00 3.10 H new ATOM 1001 N LYS A 70 -0.716 -4.935 -9.197 1.00 2.00 N ATOM 1002 CA LYS A 70 -0.459 -4.189 -10.428 1.00 2.33 C ATOM 1003 C LYS A 70 -1.746 -3.993 -11.231 1.00 2.26 C ATOM 1004 O LYS A 70 -1.714 -3.491 -12.353 1.00 2.99 O ATOM 1005 CB LYS A 70 0.585 -4.908 -11.286 1.00 3.09 C ATOM 1006 CG LYS A 70 1.242 -4.012 -12.324 1.00 3.73 C ATOM 1007 CD LYS A 70 2.281 -4.768 -13.133 1.00 4.47 C ATOM 1008 CE LYS A 70 2.843 -3.910 -14.256 1.00 5.07 C ATOM 1009 NZ LYS A 70 4.057 -4.518 -14.864 1.00 5.67 N ATOM 0 H LYS A 70 -0.695 -4.368 -8.349 1.00 2.00 H new ATOM 0 HA LYS A 70 -0.073 -3.209 -10.148 1.00 2.33 H new ATOM 0 HB2 LYS A 70 1.356 -5.321 -10.635 1.00 3.09 H new ATOM 0 HB3 LYS A 70 0.110 -5.749 -11.792 1.00 3.09 H new ATOM 0 HG2 LYS A 70 0.481 -3.609 -12.993 1.00 3.73 H new ATOM 0 HG3 LYS A 70 1.712 -3.163 -11.828 1.00 3.73 H new ATOM 0 HD2 LYS A 70 3.091 -5.089 -12.478 1.00 4.47 H new ATOM 0 HD3 LYS A 70 1.833 -5.669 -13.551 1.00 4.47 H new ATOM 0 HE2 LYS A 70 2.082 -3.773 -15.024 1.00 5.07 H new ATOM 0 HE3 LYS A 70 3.087 -2.920 -13.870 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 4.409 -3.903 -15.625 1.00 5.67 H new ATOM 0 HZ2 LYS A 70 4.793 -4.625 -14.137 1.00 5.67 H new ATOM 0 HZ3 LYS A 70 3.819 -5.451 -15.256 1.00 5.67 H new ATOM 1023 N GLN A 71 -2.878 -4.388 -10.647 1.00 2.06 N ATOM 1024 CA GLN A 71 -4.170 -4.252 -11.310 1.00 2.50 C ATOM 1025 C GLN A 71 -4.160 -4.901 -12.693 1.00 1.86 C ATOM 1026 O GLN A 71 -4.958 -4.539 -13.558 1.00 2.31 O ATOM 1027 CB GLN A 71 -4.547 -2.774 -11.427 1.00 3.57 C ATOM 1028 CG GLN A 71 -4.975 -2.151 -10.108 1.00 4.33 C ATOM 1029 CD GLN A 71 -6.323 -2.659 -9.637 1.00 5.35 C ATOM 1030 OE1 GLN A 71 -6.908 -3.559 -10.239 1.00 5.85 O ATOM 1031 NE2 GLN A 71 -6.827 -2.082 -8.550 1.00 6.01 N ATOM 0 H GLN A 71 -2.924 -4.804 -9.717 1.00 2.06 H new ATOM 0 HA GLN A 71 -4.914 -4.768 -10.703 1.00 2.50 H new ATOM 0 HB2 GLN A 71 -3.695 -2.220 -11.822 1.00 3.57 H new ATOM 0 HB3 GLN A 71 -5.357 -2.670 -12.149 1.00 3.57 H new ATOM 0 HG2 GLN A 71 -4.224 -2.365 -9.348 1.00 4.33 H new ATOM 0 HG3 GLN A 71 -5.017 -1.067 -10.218 1.00 4.33 H new ATOM 0 HE21 GLN A 71 -6.309 -1.339 -8.081 1.00 6.01 H new ATOM 0 HE22 GLN A 71 -7.731 -2.383 -8.186 1.00 6.01 H new ATOM 1040 N ARG A 72 -3.254 -5.863 -12.888 1.00 1.67 N ATOM 1041 CA ARG A 72 -3.124 -6.582 -14.161 1.00 1.59 C ATOM 1042 C ARG A 72 -3.466 -5.696 -15.363 1.00 1.44 C ATOM 1043 O ARG A 72 -4.629 -5.578 -15.745 1.00 1.86 O ATOM 1044 CB ARG A 72 -4.008 -7.833 -14.162 1.00 2.48 C ATOM 1045 CG ARG A 72 -5.500 -7.540 -14.085 1.00 3.28 C ATOM 1046 CD ARG A 72 -6.264 -8.700 -13.465 1.00 4.14 C ATOM 1047 NE ARG A 72 -5.803 -9.993 -13.965 1.00 4.72 N ATOM 1048 CZ ARG A 72 -6.004 -11.148 -13.333 1.00 5.47 C ATOM 1049 NH1 ARG A 72 -6.666 -11.176 -12.182 1.00 5.75 N ATOM 1050 NH2 ARG A 72 -5.547 -12.278 -13.855 1.00 6.26 N ATOM 0 H ARG A 72 -2.593 -6.165 -12.173 1.00 1.67 H new ATOM 0 HA ARG A 72 -2.079 -6.878 -14.257 1.00 1.59 H new ATOM 0 HB2 ARG A 72 -3.807 -8.406 -15.067 1.00 2.48 H new ATOM 0 HB3 ARG A 72 -3.728 -8.463 -13.318 1.00 2.48 H new ATOM 0 HG2 ARG A 72 -5.665 -6.638 -13.496 1.00 3.28 H new ATOM 0 HG3 ARG A 72 -5.885 -7.342 -15.085 1.00 3.28 H new ATOM 0 HD2 ARG A 72 -6.151 -8.670 -12.381 1.00 4.14 H new ATOM 0 HD3 ARG A 72 -7.327 -8.588 -13.678 1.00 4.14 H new ATOM 0 HE ARG A 72 -5.297 -10.012 -14.851 1.00 4.72 H new ATOM 0 HH11 ARG A 72 -7.023 -10.310 -11.778 1.00 5.75 H new ATOM 0 HH12 ARG A 72 -6.817 -12.063 -11.702 1.00 5.75 H new ATOM 0 HH21 ARG A 72 -5.041 -12.263 -14.741 1.00 6.26 H new ATOM 0 HH22 ARG A 72 -5.701 -13.162 -13.371 1.00 6.26 H new ATOM 1064 N PRO A 73 -2.452 -5.064 -15.983 1.00 2.17 N ATOM 1065 CA PRO A 73 -2.663 -4.194 -17.144 1.00 2.96 C ATOM 1066 C PRO A 73 -3.265 -4.946 -18.326 1.00 2.97 C ATOM 1067 O PRO A 73 -2.552 -5.354 -19.243 1.00 3.20 O ATOM 1068 CB PRO A 73 -1.256 -3.690 -17.489 1.00 4.03 C ATOM 1069 CG PRO A 73 -0.327 -4.660 -16.843 1.00 4.11 C ATOM 1070 CD PRO A 73 -1.030 -5.146 -15.609 1.00 3.05 C ATOM 0 HA PRO A 73 -3.368 -3.392 -16.924 1.00 2.96 H new ATOM 0 HB2 PRO A 73 -1.103 -3.656 -18.568 1.00 4.03 H new ATOM 0 HB3 PRO A 73 -1.096 -2.680 -17.112 1.00 4.03 H new ATOM 0 HG2 PRO A 73 -0.099 -5.488 -17.514 1.00 4.11 H new ATOM 0 HG3 PRO A 73 0.621 -4.184 -16.591 1.00 4.11 H new ATOM 0 HD2 PRO A 73 -0.738 -6.165 -15.353 1.00 3.05 H new ATOM 0 HD3 PRO A 73 -0.804 -4.523 -14.744 1.00 3.05 H new ATOM 1078 N GLY A 74 -4.581 -5.127 -18.295 1.00 3.36 N ATOM 1079 CA GLY A 74 -5.260 -5.832 -19.367 1.00 3.85 C ATOM 1080 C GLY A 74 -6.083 -7.001 -18.861 1.00 4.53 C ATOM 1081 O GLY A 74 -7.266 -6.792 -18.521 1.00 5.10 O ATOM 1082 OXT GLY A 74 -5.543 -8.127 -18.808 1.00 4.92 O ATOM 0 H GLY A 74 -5.190 -4.798 -17.546 1.00 3.36 H new ATOM 0 HA2 GLY A 74 -5.910 -5.138 -19.900 1.00 3.85 H new ATOM 0 HA3 GLY A 74 -4.523 -6.194 -20.084 1.00 3.85 H new ATOM 1087 N ILE B 178 -7.976 -17.606 26.420 1.00 3.07 N ATOM 1088 CA ILE B 178 -7.247 -17.199 25.193 1.00 2.53 C ATOM 1089 C ILE B 178 -6.746 -15.761 25.303 1.00 2.20 C ATOM 1090 O ILE B 178 -7.309 -14.956 26.043 1.00 2.61 O ATOM 1091 CB ILE B 178 -8.141 -17.319 23.941 1.00 2.64 C ATOM 1092 CG1 ILE B 178 -9.455 -16.564 24.151 1.00 3.03 C ATOM 1093 CG2 ILE B 178 -8.408 -18.782 23.619 1.00 3.47 C ATOM 1094 CD1 ILE B 178 -9.404 -15.124 23.692 1.00 3.49 C ATOM 0 HA ILE B 178 -6.397 -17.874 25.093 1.00 2.53 H new ATOM 0 HB ILE B 178 -7.619 -16.871 23.095 1.00 2.64 H new ATOM 0 HG12 ILE B 178 -10.251 -17.080 23.614 1.00 3.03 H new ATOM 0 HG13 ILE B 178 -9.715 -16.591 25.209 1.00 3.03 H new ATOM 0 HG21 ILE B 178 -9.040 -18.850 22.733 1.00 3.47 H new ATOM 0 HG22 ILE B 178 -7.463 -19.291 23.431 1.00 3.47 H new ATOM 0 HG23 ILE B 178 -8.913 -19.254 24.462 1.00 3.47 H new ATOM 0 HD11 ILE B 178 -10.369 -14.651 23.871 1.00 3.49 H new ATOM 0 HD12 ILE B 178 -8.631 -14.593 24.247 1.00 3.49 H new ATOM 0 HD13 ILE B 178 -9.175 -15.090 22.627 1.00 3.49 H new ATOM 1108 N PRO B 179 -5.676 -15.420 24.564 1.00 2.20 N ATOM 1109 CA PRO B 179 -5.102 -14.069 24.582 1.00 2.43 C ATOM 1110 C PRO B 179 -6.120 -13.007 24.182 1.00 2.12 C ATOM 1111 O PRO B 179 -7.321 -13.268 24.146 1.00 2.52 O ATOM 1112 CB PRO B 179 -3.962 -14.140 23.555 1.00 3.31 C ATOM 1113 CG PRO B 179 -4.237 -15.357 22.740 1.00 3.56 C ATOM 1114 CD PRO B 179 -4.944 -16.314 23.654 1.00 2.87 C ATOM 0 HA PRO B 179 -4.767 -13.784 25.579 1.00 2.43 H new ATOM 0 HB2 PRO B 179 -3.939 -13.247 22.931 1.00 3.31 H new ATOM 0 HB3 PRO B 179 -2.993 -14.209 24.049 1.00 3.31 H new ATOM 0 HG2 PRO B 179 -4.854 -15.116 21.874 1.00 3.56 H new ATOM 0 HG3 PRO B 179 -3.311 -15.791 22.361 1.00 3.56 H new ATOM 0 HD2 PRO B 179 -5.618 -16.973 23.106 1.00 2.87 H new ATOM 0 HD3 PRO B 179 -4.243 -16.952 24.192 1.00 2.87 H new ATOM 1122 N GLY B 180 -5.631 -11.807 23.882 1.00 2.20 N ATOM 1123 CA GLY B 180 -6.514 -10.724 23.490 1.00 2.49 C ATOM 1124 C GLY B 180 -7.051 -10.890 22.082 1.00 2.05 C ATOM 1125 O GLY B 180 -6.799 -10.057 21.211 1.00 2.79 O ATOM 0 H GLY B 180 -4.640 -11.566 23.903 1.00 2.20 H new ATOM 0 HA2 GLY B 180 -7.349 -10.670 24.189 1.00 2.49 H new ATOM 0 HA3 GLY B 180 -5.977 -9.778 23.561 1.00 2.49 H new ATOM 1129 N LYS B 181 -7.797 -11.970 21.857 1.00 1.68 N ATOM 1130 CA LYS B 181 -8.375 -12.249 20.544 1.00 2.16 C ATOM 1131 C LYS B 181 -7.339 -12.078 19.433 1.00 1.86 C ATOM 1132 O LYS B 181 -7.685 -11.760 18.295 1.00 2.39 O ATOM 1133 CB LYS B 181 -9.573 -11.330 20.288 1.00 3.11 C ATOM 1134 CG LYS B 181 -10.899 -12.070 20.210 1.00 3.99 C ATOM 1135 CD LYS B 181 -11.127 -12.661 18.828 1.00 4.80 C ATOM 1136 CE LYS B 181 -10.777 -14.140 18.790 1.00 5.59 C ATOM 1137 NZ LYS B 181 -11.728 -14.913 17.945 1.00 6.37 N ATOM 0 H LYS B 181 -8.016 -12.667 22.569 1.00 1.68 H new ATOM 0 HA LYS B 181 -8.709 -13.286 20.539 1.00 2.16 H new ATOM 0 HB2 LYS B 181 -9.627 -10.587 21.083 1.00 3.11 H new ATOM 0 HB3 LYS B 181 -9.413 -10.788 19.356 1.00 3.11 H new ATOM 0 HG2 LYS B 181 -10.917 -12.866 20.955 1.00 3.99 H new ATOM 0 HG3 LYS B 181 -11.713 -11.387 20.454 1.00 3.99 H new ATOM 0 HD2 LYS B 181 -12.170 -12.525 18.541 1.00 4.80 H new ATOM 0 HD3 LYS B 181 -10.522 -12.124 18.097 1.00 4.80 H new ATOM 0 HE2 LYS B 181 -9.765 -14.264 18.404 1.00 5.59 H new ATOM 0 HE3 LYS B 181 -10.783 -14.541 19.804 1.00 5.59 H new ATOM 0 HZ1 LYS B 181 -11.455 -15.917 17.945 1.00 6.37 H new ATOM 0 HZ2 LYS B 181 -12.690 -14.816 18.327 1.00 6.37 H new ATOM 0 HZ3 LYS B 181 -11.704 -14.547 16.972 1.00 6.37 H new ATOM 1151 N ARG B 182 -6.073 -12.302 19.773 1.00 1.81 N ATOM 1152 CA ARG B 182 -4.986 -12.182 18.810 1.00 1.93 C ATOM 1153 C ARG B 182 -4.913 -10.770 18.231 1.00 1.94 C ATOM 1154 O ARG B 182 -5.934 -10.111 18.039 1.00 2.65 O ATOM 1155 CB ARG B 182 -5.180 -13.208 17.698 1.00 2.78 C ATOM 1156 CG ARG B 182 -4.180 -14.351 17.743 1.00 3.51 C ATOM 1157 CD ARG B 182 -2.848 -13.949 17.131 1.00 4.27 C ATOM 1158 NE ARG B 182 -1.833 -14.987 17.303 1.00 4.96 N ATOM 1159 CZ ARG B 182 -1.849 -16.151 16.658 1.00 5.70 C ATOM 1160 NH1 ARG B 182 -2.814 -16.426 15.790 1.00 5.93 N ATOM 1161 NH2 ARG B 182 -0.894 -17.044 16.879 1.00 6.51 N ATOM 0 H ARG B 182 -5.775 -12.568 20.712 1.00 1.81 H new ATOM 0 HA ARG B 182 -4.043 -12.375 19.321 1.00 1.93 H new ATOM 0 HB2 ARG B 182 -6.189 -13.616 17.764 1.00 2.78 H new ATOM 0 HB3 ARG B 182 -5.102 -12.706 16.734 1.00 2.78 H new ATOM 0 HG2 ARG B 182 -4.028 -14.662 18.776 1.00 3.51 H new ATOM 0 HG3 ARG B 182 -4.583 -15.210 17.207 1.00 3.51 H new ATOM 0 HD2 ARG B 182 -2.983 -13.746 16.069 1.00 4.27 H new ATOM 0 HD3 ARG B 182 -2.502 -13.023 17.591 1.00 4.27 H new ATOM 0 HE ARG B 182 -1.069 -14.809 17.955 1.00 4.96 H new ATOM 0 HH11 ARG B 182 -3.551 -15.743 15.613 1.00 5.93 H new ATOM 0 HH12 ARG B 182 -2.819 -17.320 15.300 1.00 5.93 H new ATOM 0 HH21 ARG B 182 -0.148 -16.839 17.543 1.00 6.51 H new ATOM 0 HH22 ARG B 182 -0.906 -17.936 16.385 1.00 6.51 H new ATOM 1175 N THR B 183 -3.697 -10.310 17.957 1.00 2.03 N ATOM 1176 CA THR B 183 -3.491 -8.976 17.402 1.00 2.67 C ATOM 1177 C THR B 183 -2.769 -9.049 16.061 1.00 2.51 C ATOM 1178 O THR B 183 -1.773 -8.360 15.841 1.00 3.25 O ATOM 1179 CB THR B 183 -2.698 -8.109 18.380 1.00 3.75 C ATOM 1180 OG1 THR B 183 -3.235 -8.205 19.687 1.00 4.22 O ATOM 1181 CG2 THR B 183 -2.680 -6.644 17.998 1.00 4.70 C ATOM 0 H THR B 183 -2.839 -10.840 18.110 1.00 2.03 H new ATOM 0 HA THR B 183 -4.469 -8.522 17.241 1.00 2.67 H new ATOM 0 HB THR B 183 -1.678 -8.492 18.345 1.00 3.75 H new ATOM 0 HG1 THR B 183 -2.712 -7.644 20.297 1.00 4.22 H new ATOM 0 HG21 THR B 183 -2.101 -6.084 18.732 1.00 4.70 H new ATOM 0 HG22 THR B 183 -2.225 -6.530 17.014 1.00 4.70 H new ATOM 0 HG23 THR B 183 -3.701 -6.262 17.973 1.00 4.70 H new ATOM 1189 N GLU B 184 -3.281 -9.888 15.170 1.00 2.17 N ATOM 1190 CA GLU B 184 -2.691 -10.055 13.847 1.00 2.63 C ATOM 1191 C GLU B 184 -2.677 -8.729 13.088 1.00 1.99 C ATOM 1192 O GLU B 184 -2.863 -7.666 13.678 1.00 2.48 O ATOM 1193 CB GLU B 184 -3.466 -11.108 13.053 1.00 3.66 C ATOM 1194 CG GLU B 184 -3.787 -12.358 13.856 1.00 4.47 C ATOM 1195 CD GLU B 184 -5.279 -12.594 14.003 1.00 5.39 C ATOM 1196 OE1 GLU B 184 -5.983 -11.674 14.466 1.00 5.92 O ATOM 1197 OE2 GLU B 184 -5.741 -13.701 13.655 1.00 5.91 O ATOM 0 H GLU B 184 -4.105 -10.465 15.339 1.00 2.17 H new ATOM 0 HA GLU B 184 -1.661 -10.391 13.971 1.00 2.63 H new ATOM 0 HB2 GLU B 184 -4.396 -10.668 12.693 1.00 3.66 H new ATOM 0 HB3 GLU B 184 -2.885 -11.389 12.174 1.00 3.66 H new ATOM 0 HG2 GLU B 184 -3.333 -13.222 13.372 1.00 4.47 H new ATOM 0 HG3 GLU B 184 -3.338 -12.274 14.845 1.00 4.47 H new ATOM 1204 N SER B 185 -2.455 -8.802 11.780 1.00 1.62 N ATOM 1205 CA SER B 185 -2.417 -7.606 10.945 1.00 1.32 C ATOM 1206 C SER B 185 -2.705 -7.969 9.490 1.00 1.14 C ATOM 1207 O SER B 185 -3.447 -8.915 9.224 1.00 1.33 O ATOM 1208 CB SER B 185 -1.056 -6.914 11.083 1.00 1.85 C ATOM 1209 OG SER B 185 -1.211 -5.526 11.318 1.00 2.53 O ATOM 0 H SER B 185 -2.299 -9.675 11.276 1.00 1.62 H new ATOM 0 HA SER B 185 -3.188 -6.912 11.278 1.00 1.32 H new ATOM 0 HB2 SER B 185 -0.497 -7.365 11.903 1.00 1.85 H new ATOM 0 HB3 SER B 185 -0.472 -7.069 10.176 1.00 1.85 H new ATOM 0 HG SER B 185 -0.329 -5.108 11.404 1.00 2.53 H new ATOM 1215 N PHE B 186 -2.115 -7.238 8.546 1.00 0.93 N ATOM 1216 CA PHE B 186 -2.326 -7.530 7.137 1.00 0.80 C ATOM 1217 C PHE B 186 -1.075 -8.156 6.551 1.00 0.66 C ATOM 1218 O PHE B 186 -0.144 -7.459 6.153 1.00 0.75 O ATOM 1219 CB PHE B 186 -2.700 -6.262 6.361 1.00 0.92 C ATOM 1220 CG PHE B 186 -3.009 -6.498 4.902 1.00 0.83 C ATOM 1221 CD1 PHE B 186 -4.248 -6.980 4.500 1.00 1.35 C ATOM 1222 CD2 PHE B 186 -2.063 -6.226 3.925 1.00 1.48 C ATOM 1223 CE1 PHE B 186 -4.522 -7.181 3.164 1.00 1.33 C ATOM 1224 CE2 PHE B 186 -2.344 -6.425 2.588 1.00 1.51 C ATOM 1225 CZ PHE B 186 -3.577 -6.902 2.211 1.00 0.85 C ATOM 0 H PHE B 186 -1.495 -6.449 8.731 1.00 0.93 H new ATOM 0 HA PHE B 186 -3.155 -8.232 7.050 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -3.567 -5.802 6.835 1.00 0.92 H new ATOM 0 HB3 PHE B 186 -1.880 -5.548 6.436 1.00 0.92 H new ATOM 0 HD1 PHE B 186 -5.003 -7.199 5.240 1.00 1.35 H new ATOM 0 HD2 PHE B 186 -1.092 -5.853 4.214 1.00 1.48 H new ATOM 0 HE1 PHE B 186 -5.488 -7.561 2.866 1.00 1.33 H new ATOM 0 HE2 PHE B 186 -1.597 -6.206 1.840 1.00 1.51 H new ATOM 0 HZ PHE B 186 -3.801 -7.057 1.166 1.00 0.85 H new ATOM 1235 N TYR B 187 -1.064 -9.480 6.500 1.00 0.91 N ATOM 1236 CA TYR B 187 0.071 -10.212 5.961 1.00 1.05 C ATOM 1237 C TYR B 187 0.038 -10.222 4.444 1.00 1.22 C ATOM 1238 O TYR B 187 0.681 -11.055 3.808 1.00 1.44 O ATOM 1239 CB TYR B 187 0.062 -11.637 6.495 1.00 1.25 C ATOM 1240 CG TYR B 187 1.322 -12.021 7.238 1.00 1.52 C ATOM 1241 CD1 TYR B 187 1.969 -11.113 8.069 1.00 2.06 C ATOM 1242 CD2 TYR B 187 1.861 -13.295 7.113 1.00 2.13 C ATOM 1243 CE1 TYR B 187 3.118 -11.464 8.751 1.00 2.50 C ATOM 1244 CE2 TYR B 187 3.008 -13.653 7.795 1.00 2.51 C ATOM 1245 CZ TYR B 187 3.632 -12.735 8.612 1.00 2.47 C ATOM 1246 OH TYR B 187 4.775 -13.088 9.291 1.00 3.02 O ATOM 0 H TYR B 187 -1.830 -10.069 6.826 1.00 0.91 H new ATOM 0 HA TYR B 187 0.988 -9.713 6.276 1.00 1.05 H new ATOM 0 HB2 TYR B 187 -0.792 -11.760 7.161 1.00 1.25 H new ATOM 0 HB3 TYR B 187 -0.081 -12.326 5.662 1.00 1.25 H new ATOM 0 HD1 TYR B 187 1.567 -10.117 8.183 1.00 2.06 H new ATOM 0 HD2 TYR B 187 1.376 -14.017 6.473 1.00 2.13 H new ATOM 0 HE1 TYR B 187 3.611 -10.746 9.390 1.00 2.50 H new ATOM 0 HE2 TYR B 187 3.414 -14.648 7.688 1.00 2.51 H new ATOM 0 HH TYR B 187 5.004 -14.018 9.085 1.00 3.02 H new ATOM 1256 N GLU B 188 -0.730 -9.287 3.893 1.00 1.44 N ATOM 1257 CA GLU B 188 -0.918 -9.118 2.458 1.00 1.78 C ATOM 1258 C GLU B 188 -2.386 -9.393 2.099 1.00 1.81 C ATOM 1259 O GLU B 188 -2.790 -9.224 0.950 1.00 2.15 O ATOM 1260 CB GLU B 188 0.062 -9.965 1.629 1.00 2.16 C ATOM 1261 CG GLU B 188 -0.235 -9.980 0.138 1.00 2.93 C ATOM 1262 CD GLU B 188 1.011 -9.813 -0.709 1.00 3.70 C ATOM 1263 OE1 GLU B 188 1.420 -8.656 -0.939 1.00 4.33 O ATOM 1264 OE2 GLU B 188 1.575 -10.838 -1.144 1.00 4.13 O ATOM 0 H GLU B 188 -1.252 -8.609 4.448 1.00 1.44 H new ATOM 0 HA GLU B 188 -0.687 -8.085 2.199 1.00 1.78 H new ATOM 0 HB2 GLU B 188 1.072 -9.586 1.783 1.00 2.16 H new ATOM 0 HB3 GLU B 188 0.045 -10.989 2.002 1.00 2.16 H new ATOM 0 HG2 GLU B 188 -0.722 -10.920 -0.122 1.00 2.93 H new ATOM 0 HG3 GLU B 188 -0.938 -9.181 -0.096 1.00 2.93 H new ATOM 1271 N CYS B 189 -3.204 -9.757 3.109 1.00 1.58 N ATOM 1272 CA CYS B 189 -4.643 -9.971 2.877 1.00 1.74 C ATOM 1273 C CYS B 189 -5.489 -9.705 4.096 1.00 1.77 C ATOM 1274 O CYS B 189 -6.498 -9.002 4.021 1.00 1.94 O ATOM 1275 CB CYS B 189 -4.999 -11.397 2.397 1.00 2.02 C ATOM 1276 SG CYS B 189 -5.679 -12.543 3.686 1.00 2.25 S ATOM 0 H CYS B 189 -2.899 -9.905 4.071 1.00 1.58 H new ATOM 0 HA CYS B 189 -4.865 -9.250 2.090 1.00 1.74 H new ATOM 0 HB2 CYS B 189 -5.728 -11.316 1.591 1.00 2.02 H new ATOM 0 HB3 CYS B 189 -4.103 -11.850 1.973 1.00 2.02 H new ATOM 1281 N CYS B 190 -5.168 -10.376 5.182 1.00 1.78 N ATOM 1282 CA CYS B 190 -6.012 -10.298 6.342 1.00 2.00 C ATOM 1283 C CYS B 190 -5.289 -10.713 7.617 1.00 2.10 C ATOM 1284 O CYS B 190 -4.063 -10.824 7.649 1.00 2.27 O ATOM 1285 CB CYS B 190 -7.212 -11.229 6.084 1.00 2.26 C ATOM 1286 SG CYS B 190 -7.456 -11.727 4.317 1.00 2.48 S ATOM 0 H CYS B 190 -4.344 -10.969 5.281 1.00 1.78 H new ATOM 0 HA CYS B 190 -6.326 -9.265 6.495 1.00 2.00 H new ATOM 0 HB2 CYS B 190 -7.089 -12.130 6.685 1.00 2.26 H new ATOM 0 HB3 CYS B 190 -8.118 -10.734 6.434 1.00 2.26 H new ATOM 1291 N LYS B 191 -6.074 -10.959 8.661 1.00 2.47 N ATOM 1292 CA LYS B 191 -5.539 -11.385 9.946 1.00 2.86 C ATOM 1293 C LYS B 191 -5.388 -12.905 9.988 1.00 2.35 C ATOM 1294 O LYS B 191 -4.998 -13.467 11.009 1.00 2.77 O ATOM 1295 CB LYS B 191 -6.458 -10.921 11.079 1.00 3.80 C ATOM 1296 CG LYS B 191 -6.555 -9.410 11.207 1.00 4.39 C ATOM 1297 CD LYS B 191 -7.721 -8.855 10.402 1.00 4.90 C ATOM 1298 CE LYS B 191 -8.583 -7.923 11.240 1.00 5.66 C ATOM 1299 NZ LYS B 191 -7.988 -6.563 11.346 1.00 6.10 N ATOM 0 H LYS B 191 -7.090 -10.869 8.640 1.00 2.47 H new ATOM 0 HA LYS B 191 -4.556 -10.933 10.076 1.00 2.86 H new ATOM 0 HB2 LYS B 191 -7.456 -11.328 10.915 1.00 3.80 H new ATOM 0 HB3 LYS B 191 -6.096 -11.334 12.021 1.00 3.80 H new ATOM 0 HG2 LYS B 191 -6.675 -9.140 12.256 1.00 4.39 H new ATOM 0 HG3 LYS B 191 -5.626 -8.955 10.865 1.00 4.39 H new ATOM 0 HD2 LYS B 191 -7.341 -8.318 9.533 1.00 4.90 H new ATOM 0 HD3 LYS B 191 -8.330 -9.678 10.028 1.00 4.90 H new ATOM 0 HE2 LYS B 191 -9.576 -7.851 10.797 1.00 5.66 H new ATOM 0 HE3 LYS B 191 -8.708 -8.343 12.238 1.00 5.66 H new ATOM 0 HZ1 LYS B 191 -8.605 -5.958 11.925 1.00 6.10 H new ATOM 0 HZ2 LYS B 191 -7.051 -6.628 11.792 1.00 6.10 H new ATOM 0 HZ3 LYS B 191 -7.892 -6.151 10.396 1.00 6.10 H new ATOM 1313 N GLU B 192 -5.708 -13.563 8.876 1.00 1.95 N ATOM 1314 CA GLU B 192 -5.613 -15.016 8.785 1.00 2.22 C ATOM 1315 C GLU B 192 -4.179 -15.472 8.503 1.00 1.81 C ATOM 1316 O GLU B 192 -3.666 -16.361 9.180 1.00 2.43 O ATOM 1317 CB GLU B 192 -6.552 -15.541 7.699 1.00 3.14 C ATOM 1318 CG GLU B 192 -7.959 -14.973 7.784 1.00 3.77 C ATOM 1319 CD GLU B 192 -9.019 -15.974 7.365 1.00 4.68 C ATOM 1320 OE1 GLU B 192 -8.764 -17.191 7.484 1.00 5.28 O ATOM 1321 OE2 GLU B 192 -10.101 -15.541 6.919 1.00 5.13 O ATOM 0 H GLU B 192 -6.036 -13.110 8.023 1.00 1.95 H new ATOM 0 HA GLU B 192 -5.911 -15.427 9.750 1.00 2.22 H new ATOM 0 HB2 GLU B 192 -6.132 -15.304 6.722 1.00 3.14 H new ATOM 0 HB3 GLU B 192 -6.603 -16.628 7.769 1.00 3.14 H new ATOM 0 HG2 GLU B 192 -8.155 -14.649 8.806 1.00 3.77 H new ATOM 0 HG3 GLU B 192 -8.029 -14.089 7.150 1.00 3.77 H new ATOM 1328 N PRO B 193 -3.504 -14.878 7.495 1.00 1.51 N ATOM 1329 CA PRO B 193 -2.130 -15.257 7.151 1.00 1.90 C ATOM 1330 C PRO B 193 -1.128 -14.868 8.236 1.00 1.60 C ATOM 1331 O PRO B 193 -0.362 -15.709 8.704 1.00 1.96 O ATOM 1332 CB PRO B 193 -1.850 -14.491 5.856 1.00 2.66 C ATOM 1333 CG PRO B 193 -2.803 -13.346 5.866 1.00 2.76 C ATOM 1334 CD PRO B 193 -4.021 -13.811 6.616 1.00 1.99 C ATOM 0 HA PRO B 193 -2.026 -16.337 7.046 1.00 1.90 H new ATOM 0 HB2 PRO B 193 -0.817 -14.144 5.819 1.00 2.66 H new ATOM 0 HB3 PRO B 193 -2.005 -15.124 4.982 1.00 2.66 H new ATOM 0 HG2 PRO B 193 -2.359 -12.476 6.349 1.00 2.76 H new ATOM 0 HG3 PRO B 193 -3.063 -13.049 4.850 1.00 2.76 H new ATOM 0 HD2 PRO B 193 -4.471 -13.001 7.191 1.00 1.99 H new ATOM 0 HD3 PRO B 193 -4.789 -14.186 5.940 1.00 1.99 H new ATOM 1342 N TYR B 194 -1.138 -13.592 8.629 1.00 1.23 N ATOM 1343 CA TYR B 194 -0.222 -13.090 9.663 1.00 1.39 C ATOM 1344 C TYR B 194 0.027 -14.114 10.775 1.00 1.45 C ATOM 1345 O TYR B 194 1.176 -14.451 11.062 1.00 1.96 O ATOM 1346 CB TYR B 194 -0.756 -11.790 10.261 1.00 1.75 C ATOM 1347 CG TYR B 194 0.329 -10.813 10.657 1.00 1.52 C ATOM 1348 CD1 TYR B 194 1.326 -11.179 11.553 1.00 2.04 C ATOM 1349 CD2 TYR B 194 0.351 -9.521 10.145 1.00 1.91 C ATOM 1350 CE1 TYR B 194 2.309 -10.286 11.931 1.00 2.43 C ATOM 1351 CE2 TYR B 194 1.334 -8.626 10.514 1.00 2.18 C ATOM 1352 CZ TYR B 194 2.308 -9.011 11.408 1.00 2.27 C ATOM 1353 OH TYR B 194 3.278 -8.115 11.786 1.00 2.93 O ATOM 0 H TYR B 194 -1.769 -12.886 8.249 1.00 1.23 H new ATOM 0 HA TYR B 194 0.734 -12.903 9.175 1.00 1.39 H new ATOM 0 HB2 TYR B 194 -1.417 -11.312 9.538 1.00 1.75 H new ATOM 0 HB3 TYR B 194 -1.359 -12.025 11.138 1.00 1.75 H new ATOM 0 HD1 TYR B 194 1.332 -12.179 11.961 1.00 2.04 H new ATOM 0 HD2 TYR B 194 -0.414 -9.213 9.447 1.00 1.91 H new ATOM 0 HE1 TYR B 194 3.074 -10.585 12.632 1.00 2.43 H new ATOM 0 HE2 TYR B 194 1.340 -7.627 10.103 1.00 2.18 H new ATOM 0 HH TYR B 194 3.809 -7.858 11.003 1.00 2.93 H new ATOM 1363 N PRO B 195 -1.034 -14.625 11.421 1.00 1.87 N ATOM 1364 CA PRO B 195 -0.892 -15.607 12.499 1.00 2.22 C ATOM 1365 C PRO B 195 -0.459 -16.976 11.983 1.00 2.24 C ATOM 1366 O PRO B 195 -0.684 -17.310 10.820 1.00 2.85 O ATOM 1367 CB PRO B 195 -2.295 -15.684 13.098 1.00 3.25 C ATOM 1368 CG PRO B 195 -3.201 -15.305 11.981 1.00 3.64 C ATOM 1369 CD PRO B 195 -2.448 -14.291 11.161 1.00 2.77 C ATOM 0 HA PRO B 195 -0.124 -15.316 13.215 1.00 2.22 H new ATOM 0 HB2 PRO B 195 -2.515 -16.687 13.464 1.00 3.25 H new ATOM 0 HB3 PRO B 195 -2.403 -15.005 13.944 1.00 3.25 H new ATOM 0 HG2 PRO B 195 -3.464 -16.175 11.380 1.00 3.64 H new ATOM 0 HG3 PRO B 195 -4.133 -14.886 12.360 1.00 3.64 H new ATOM 0 HD2 PRO B 195 -2.692 -14.370 10.101 1.00 2.77 H new ATOM 0 HD3 PRO B 195 -2.683 -13.272 11.467 1.00 2.77 H new ATOM 1377 N ASP B 196 0.160 -17.762 12.856 1.00 2.52 N ATOM 1378 CA ASP B 196 0.622 -19.095 12.488 1.00 3.36 C ATOM 1379 C ASP B 196 -0.338 -20.162 13.003 1.00 4.02 C ATOM 1380 O ASP B 196 -1.286 -20.508 12.269 1.00 4.44 O ATOM 1381 CB ASP B 196 2.026 -19.344 13.042 1.00 3.87 C ATOM 1382 CG ASP B 196 2.126 -19.037 14.524 1.00 4.51 C ATOM 1383 OD1 ASP B 196 2.192 -17.840 14.879 1.00 4.88 O ATOM 1384 OD2 ASP B 196 2.137 -19.992 15.330 1.00 5.03 O ATOM 0 H ASP B 196 0.353 -17.500 13.823 1.00 2.52 H new ATOM 0 HA ASP B 196 0.655 -19.154 11.400 1.00 3.36 H new ATOM 0 HB2 ASP B 196 2.302 -20.384 12.870 1.00 3.87 H new ATOM 0 HB3 ASP B 196 2.743 -18.729 12.497 1.00 3.87 H new