USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=28 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 34 SER OG : rot 72:sc= 1.19 USER MOD Set 1.2: B 187 TYR OH : rot 16:sc= -2.62! USER MOD Single : A 1 ILE N :NH3+ 131:sc= 0.00363 (180deg=-0.137) USER MOD Single : A 4 HIS : no HE2:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 9 SER OG : rot 180:sc= -0.643 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 21 ASN : amide:sc= -5.63 X(o=-5.6,f=-6.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= 0.325 (180deg=0.0498) USER MOD Single : A 27 MET CE :methyl -131:sc= -0.765 (180deg=-2.37!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -3.37! (180deg=-4.85!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc=-0.00762 (180deg=-0.296) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00772 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0891 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -7.43! C(o=-7.4!,f=-19!) USER MOD Single : A 68 HIS : no HE2:sc= -2.91! C(o=-2.9!,f=-7.6!) USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= -0.351 (180deg=-1.49!) USER MOD Single : A 71 GLN : amide:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : B 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 183 THR OG1 : rot -18:sc= 0.611 USER MOD Single : B 185 SER OG : rot -150:sc= -0.15 USER MOD Single : B 191 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0252) USER MOD Single : B 194 TYR OH : rot 145:sc= 0.172! USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.510 13.496 -7.107 1.00 1.84 N ATOM 2 CA ILE A 1 1.212 12.522 -6.225 1.00 1.28 C ATOM 3 C ILE A 1 0.227 11.767 -5.337 1.00 1.18 C ATOM 4 O ILE A 1 -0.806 12.306 -4.942 1.00 1.52 O ATOM 5 CB ILE A 1 2.257 13.221 -5.334 1.00 1.23 C ATOM 6 CG1 ILE A 1 3.088 12.185 -4.577 1.00 1.40 C ATOM 7 CG2 ILE A 1 1.577 14.180 -4.369 1.00 1.76 C ATOM 8 CD1 ILE A 1 4.563 12.524 -4.521 1.00 1.67 C ATOM 0 H1 ILE A 1 0.980 14.422 -7.045 1.00 1.84 H new ATOM 0 H2 ILE A 1 0.539 13.158 -8.090 1.00 1.84 H new ATOM 0 H3 ILE A 1 -0.480 13.589 -6.802 1.00 1.84 H new ATOM 0 HA ILE A 1 1.719 11.814 -6.881 1.00 1.28 H new ATOM 0 HB ILE A 1 2.928 13.799 -5.970 1.00 1.23 H new ATOM 0 HG12 ILE A 1 2.704 12.094 -3.561 1.00 1.40 H new ATOM 0 HG13 ILE A 1 2.964 11.212 -5.053 1.00 1.40 H new ATOM 0 HG21 ILE A 1 2.330 14.665 -3.747 1.00 1.76 H new ATOM 0 HG22 ILE A 1 1.030 14.936 -4.932 1.00 1.76 H new ATOM 0 HG23 ILE A 1 0.884 13.627 -3.735 1.00 1.76 H new ATOM 0 HD11 ILE A 1 5.094 11.748 -3.970 1.00 1.67 H new ATOM 0 HD12 ILE A 1 4.961 12.586 -5.534 1.00 1.67 H new ATOM 0 HD13 ILE A 1 4.697 13.482 -4.019 1.00 1.67 H new ATOM 22 N VAL A 2 0.549 10.511 -5.039 1.00 0.91 N ATOM 23 CA VAL A 2 -0.316 9.681 -4.215 1.00 0.84 C ATOM 24 C VAL A 2 0.451 8.520 -3.571 1.00 0.73 C ATOM 25 O VAL A 2 1.479 8.083 -4.088 1.00 0.75 O ATOM 26 CB VAL A 2 -1.469 9.127 -5.070 1.00 0.97 C ATOM 27 CG1 VAL A 2 -1.028 7.911 -5.871 1.00 1.37 C ATOM 28 CG2 VAL A 2 -2.674 8.797 -4.210 1.00 1.66 C ATOM 0 H VAL A 2 1.401 10.049 -5.356 1.00 0.91 H new ATOM 0 HA VAL A 2 -0.711 10.305 -3.413 1.00 0.84 H new ATOM 0 HB VAL A 2 -1.759 9.905 -5.776 1.00 0.97 H new ATOM 0 HG11 VAL A 2 -1.865 7.543 -6.465 1.00 1.37 H new ATOM 0 HG12 VAL A 2 -0.208 8.189 -6.533 1.00 1.37 H new ATOM 0 HG13 VAL A 2 -0.694 7.128 -5.190 1.00 1.37 H new ATOM 0 HG21 VAL A 2 -3.474 8.407 -4.839 1.00 1.66 H new ATOM 0 HG22 VAL A 2 -2.398 8.047 -3.469 1.00 1.66 H new ATOM 0 HG23 VAL A 2 -3.017 9.699 -3.703 1.00 1.66 H new ATOM 38 N CYS A 3 -0.071 8.012 -2.454 1.00 0.75 N ATOM 39 CA CYS A 3 0.555 6.890 -1.759 1.00 0.76 C ATOM 40 C CYS A 3 -0.502 5.989 -1.126 1.00 0.74 C ATOM 41 O CYS A 3 -1.230 6.401 -0.220 1.00 0.79 O ATOM 42 CB CYS A 3 1.554 7.380 -0.699 1.00 0.86 C ATOM 43 SG CYS A 3 2.708 6.087 -0.133 1.00 1.18 S ATOM 0 H CYS A 3 -0.923 8.359 -2.013 1.00 0.75 H new ATOM 0 HA CYS A 3 1.107 6.308 -2.496 1.00 0.76 H new ATOM 0 HB2 CYS A 3 2.126 8.213 -1.108 1.00 0.86 H new ATOM 0 HB3 CYS A 3 1.002 7.764 0.159 1.00 0.86 H new ATOM 48 N HIS A 4 -0.593 4.755 -1.619 1.00 1.00 N ATOM 49 CA HIS A 4 -1.574 3.799 -1.108 1.00 1.15 C ATOM 50 C HIS A 4 -1.604 3.797 0.420 1.00 1.39 C ATOM 51 O HIS A 4 -0.717 4.349 1.069 1.00 1.83 O ATOM 52 CB HIS A 4 -1.282 2.391 -1.627 1.00 1.50 C ATOM 53 CG HIS A 4 -1.807 2.145 -3.008 1.00 1.65 C ATOM 54 ND1 HIS A 4 -3.093 1.717 -3.258 1.00 2.53 N ATOM 55 CD2 HIS A 4 -1.216 2.279 -4.217 1.00 1.60 C ATOM 56 CE1 HIS A 4 -3.270 1.598 -4.561 1.00 3.06 C ATOM 57 NE2 HIS A 4 -2.147 1.934 -5.167 1.00 2.46 N ATOM 0 H HIS A 4 -0.002 4.395 -2.368 1.00 1.00 H new ATOM 0 HA HIS A 4 -2.554 4.111 -1.469 1.00 1.15 H new ATOM 0 HB2 HIS A 4 -0.205 2.226 -1.621 1.00 1.50 H new ATOM 0 HB3 HIS A 4 -1.720 1.662 -0.945 1.00 1.50 H new ATOM 0 HD1 HIS A 4 -3.798 1.522 -2.547 1.00 2.53 H new ATOM 0 HD2 HIS A 4 -0.201 2.598 -4.402 1.00 1.60 H new ATOM 0 HE1 HIS A 4 -4.180 1.280 -5.048 1.00 3.06 H new ATOM 66 N THR A 5 -2.638 3.179 0.986 1.00 1.34 N ATOM 67 CA THR A 5 -2.794 3.111 2.435 1.00 1.76 C ATOM 68 C THR A 5 -1.650 2.337 3.085 1.00 1.62 C ATOM 69 O THR A 5 -0.747 1.852 2.403 1.00 2.15 O ATOM 70 CB THR A 5 -4.135 2.462 2.787 1.00 2.22 C ATOM 71 OG1 THR A 5 -4.239 2.239 4.183 1.00 2.90 O ATOM 72 CG2 THR A 5 -4.356 1.139 2.090 1.00 2.13 C ATOM 0 H THR A 5 -3.381 2.718 0.461 1.00 1.34 H new ATOM 0 HA THR A 5 -2.771 4.129 2.823 1.00 1.76 H new ATOM 0 HB THR A 5 -4.894 3.166 2.447 1.00 2.22 H new ATOM 0 HG1 THR A 5 -5.104 1.825 4.385 1.00 2.90 H new ATOM 0 HG21 THR A 5 -5.324 0.731 2.382 1.00 2.13 H new ATOM 0 HG22 THR A 5 -4.336 1.289 1.011 1.00 2.13 H new ATOM 0 HG23 THR A 5 -3.568 0.442 2.374 1.00 2.13 H new ATOM 80 N THR A 6 -1.695 2.233 4.410 1.00 1.66 N ATOM 81 CA THR A 6 -0.665 1.526 5.166 1.00 2.10 C ATOM 82 C THR A 6 -0.845 0.010 5.083 1.00 1.68 C ATOM 83 O THR A 6 -0.020 -0.746 5.596 1.00 2.39 O ATOM 84 CB THR A 6 -0.692 1.970 6.628 1.00 2.95 C ATOM 85 OG1 THR A 6 -0.744 3.383 6.723 1.00 3.66 O ATOM 86 CG2 THR A 6 0.509 1.502 7.421 1.00 3.19 C ATOM 0 H THR A 6 -2.437 2.631 4.985 1.00 1.66 H new ATOM 0 HA THR A 6 0.300 1.775 4.724 1.00 2.10 H new ATOM 0 HB THR A 6 -1.586 1.511 7.050 1.00 2.95 H new ATOM 0 HG1 THR A 6 -0.762 3.647 7.667 1.00 3.66 H new ATOM 0 HG21 THR A 6 0.425 1.852 8.450 1.00 3.19 H new ATOM 0 HG22 THR A 6 0.550 0.413 7.411 1.00 3.19 H new ATOM 0 HG23 THR A 6 1.419 1.903 6.974 1.00 3.19 H new ATOM 94 N ALA A 7 -1.923 -0.434 4.437 1.00 1.08 N ATOM 95 CA ALA A 7 -2.201 -1.863 4.298 1.00 1.16 C ATOM 96 C ALA A 7 -2.737 -2.451 5.596 1.00 1.13 C ATOM 97 O ALA A 7 -2.323 -3.530 6.018 1.00 1.34 O ATOM 98 CB ALA A 7 -0.950 -2.612 3.855 1.00 1.59 C ATOM 0 H ALA A 7 -2.617 0.174 4.002 1.00 1.08 H new ATOM 0 HA ALA A 7 -2.969 -1.979 3.533 1.00 1.16 H new ATOM 0 HB1 ALA A 7 -1.177 -3.674 3.757 1.00 1.59 H new ATOM 0 HB2 ALA A 7 -0.614 -2.223 2.894 1.00 1.59 H new ATOM 0 HB3 ALA A 7 -0.163 -2.476 4.597 1.00 1.59 H new ATOM 104 N THR A 8 -3.678 -1.751 6.224 1.00 1.25 N ATOM 105 CA THR A 8 -4.276 -2.234 7.462 1.00 1.44 C ATOM 106 C THR A 8 -4.938 -3.582 7.203 1.00 1.50 C ATOM 107 O THR A 8 -4.813 -4.520 7.990 1.00 2.19 O ATOM 108 CB THR A 8 -5.305 -1.232 7.995 1.00 1.67 C ATOM 109 OG1 THR A 8 -5.391 -0.099 7.148 1.00 2.24 O ATOM 110 CG2 THR A 8 -4.990 -0.736 9.389 1.00 2.08 C ATOM 0 H THR A 8 -4.040 -0.855 5.898 1.00 1.25 H new ATOM 0 HA THR A 8 -3.496 -2.347 8.215 1.00 1.44 H new ATOM 0 HB THR A 8 -6.249 -1.777 8.023 1.00 1.67 H new ATOM 0 HG1 THR A 8 -6.055 0.527 7.506 1.00 2.24 H new ATOM 0 HG21 THR A 8 -5.758 -0.030 9.706 1.00 2.08 H new ATOM 0 HG22 THR A 8 -4.966 -1.580 10.079 1.00 2.08 H new ATOM 0 HG23 THR A 8 -4.019 -0.240 9.388 1.00 2.08 H new ATOM 118 N SER A 9 -5.624 -3.661 6.070 1.00 1.21 N ATOM 119 CA SER A 9 -6.300 -4.876 5.651 1.00 1.26 C ATOM 120 C SER A 9 -6.945 -4.672 4.283 1.00 1.26 C ATOM 121 O SER A 9 -6.597 -5.353 3.319 1.00 1.68 O ATOM 122 CB SER A 9 -7.332 -5.304 6.690 1.00 1.48 C ATOM 123 OG SER A 9 -8.571 -5.646 6.089 1.00 1.90 O ATOM 0 H SER A 9 -5.726 -2.883 5.418 1.00 1.21 H new ATOM 0 HA SER A 9 -5.565 -5.676 5.566 1.00 1.26 H new ATOM 0 HB2 SER A 9 -6.951 -6.158 7.251 1.00 1.48 H new ATOM 0 HB3 SER A 9 -7.485 -4.496 7.405 1.00 1.48 H new ATOM 0 HG SER A 9 -9.208 -5.917 6.783 1.00 1.90 H new ATOM 129 N PRO A 10 -7.888 -3.718 4.174 1.00 1.28 N ATOM 130 CA PRO A 10 -8.562 -3.423 2.919 1.00 1.45 C ATOM 131 C PRO A 10 -7.852 -2.329 2.132 1.00 1.28 C ATOM 132 O PRO A 10 -8.187 -1.150 2.245 1.00 1.62 O ATOM 133 CB PRO A 10 -9.913 -2.926 3.390 1.00 1.78 C ATOM 134 CG PRO A 10 -9.619 -2.206 4.667 1.00 2.09 C ATOM 135 CD PRO A 10 -8.376 -2.839 5.254 1.00 1.74 C ATOM 0 HA PRO A 10 -8.600 -4.282 2.250 1.00 1.45 H new ATOM 0 HB2 PRO A 10 -10.371 -2.263 2.656 1.00 1.78 H new ATOM 0 HB3 PRO A 10 -10.607 -3.752 3.550 1.00 1.78 H new ATOM 0 HG2 PRO A 10 -9.461 -1.143 4.483 1.00 2.09 H new ATOM 0 HG3 PRO A 10 -10.458 -2.289 5.359 1.00 2.09 H new ATOM 0 HD2 PRO A 10 -7.634 -2.088 5.525 1.00 1.74 H new ATOM 0 HD3 PRO A 10 -8.603 -3.404 6.158 1.00 1.74 H new ATOM 143 N ILE A 11 -6.874 -2.727 1.338 1.00 1.07 N ATOM 144 CA ILE A 11 -6.112 -1.778 0.529 1.00 1.06 C ATOM 145 C ILE A 11 -7.045 -0.918 -0.326 1.00 1.20 C ATOM 146 O ILE A 11 -7.623 -1.394 -1.303 1.00 1.48 O ATOM 147 CB ILE A 11 -5.089 -2.505 -0.376 1.00 1.22 C ATOM 148 CG1 ILE A 11 -3.936 -3.054 0.467 1.00 1.28 C ATOM 149 CG2 ILE A 11 -4.555 -1.569 -1.454 1.00 1.71 C ATOM 150 CD1 ILE A 11 -4.212 -4.416 1.067 1.00 1.20 C ATOM 0 H ILE A 11 -6.585 -3.699 1.233 1.00 1.07 H new ATOM 0 HA ILE A 11 -5.566 -1.130 1.215 1.00 1.06 H new ATOM 0 HB ILE A 11 -5.596 -3.336 -0.867 1.00 1.22 H new ATOM 0 HG12 ILE A 11 -3.042 -3.115 -0.153 1.00 1.28 H new ATOM 0 HG13 ILE A 11 -3.719 -2.350 1.271 1.00 1.28 H new ATOM 0 HG21 ILE A 11 -3.838 -2.103 -2.077 1.00 1.71 H new ATOM 0 HG22 ILE A 11 -5.381 -1.217 -2.072 1.00 1.71 H new ATOM 0 HG23 ILE A 11 -4.064 -0.717 -0.985 1.00 1.71 H new ATOM 0 HD11 ILE A 11 -3.349 -4.738 1.650 1.00 1.20 H new ATOM 0 HD12 ILE A 11 -5.087 -4.358 1.715 1.00 1.20 H new ATOM 0 HD13 ILE A 11 -4.399 -5.134 0.269 1.00 1.20 H new ATOM 162 N SER A 12 -7.190 0.349 0.057 1.00 1.20 N ATOM 163 CA SER A 12 -8.055 1.278 -0.667 1.00 1.43 C ATOM 164 C SER A 12 -7.243 2.364 -1.369 1.00 1.63 C ATOM 165 O SER A 12 -7.703 2.960 -2.343 1.00 2.44 O ATOM 166 CB SER A 12 -9.061 1.920 0.291 1.00 1.77 C ATOM 167 OG SER A 12 -10.316 2.108 -0.339 1.00 2.15 O ATOM 0 H SER A 12 -6.719 0.756 0.865 1.00 1.20 H new ATOM 0 HA SER A 12 -8.591 0.709 -1.427 1.00 1.43 H new ATOM 0 HB2 SER A 12 -9.183 1.289 1.171 1.00 1.77 H new ATOM 0 HB3 SER A 12 -8.677 2.880 0.637 1.00 1.77 H new ATOM 0 HG SER A 12 -10.942 2.518 0.294 1.00 2.15 H new ATOM 173 N ALA A 13 -6.033 2.613 -0.869 1.00 1.65 N ATOM 174 CA ALA A 13 -5.140 3.623 -1.442 1.00 2.14 C ATOM 175 C ALA A 13 -5.471 5.023 -0.932 1.00 1.82 C ATOM 176 O ALA A 13 -6.607 5.484 -1.043 1.00 2.37 O ATOM 177 CB ALA A 13 -5.189 3.590 -2.965 1.00 2.97 C ATOM 0 H ALA A 13 -5.645 2.125 -0.062 1.00 1.65 H new ATOM 0 HA ALA A 13 -4.128 3.380 -1.119 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -4.518 4.349 -3.367 1.00 2.97 H new ATOM 0 HB2 ALA A 13 -4.878 2.607 -3.318 1.00 2.97 H new ATOM 0 HB3 ALA A 13 -6.206 3.791 -3.301 1.00 2.97 H new ATOM 183 N VAL A 14 -4.464 5.700 -0.378 1.00 1.28 N ATOM 184 CA VAL A 14 -4.645 7.055 0.142 1.00 1.35 C ATOM 185 C VAL A 14 -3.719 8.031 -0.582 1.00 1.06 C ATOM 186 O VAL A 14 -2.894 7.622 -1.397 1.00 1.09 O ATOM 187 CB VAL A 14 -4.370 7.126 1.661 1.00 2.08 C ATOM 188 CG1 VAL A 14 -5.126 8.286 2.289 1.00 2.82 C ATOM 189 CG2 VAL A 14 -4.744 5.817 2.345 1.00 2.60 C ATOM 0 H VAL A 14 -3.518 5.333 -0.278 1.00 1.28 H new ATOM 0 HA VAL A 14 -5.685 7.332 -0.034 1.00 1.35 H new ATOM 0 HB VAL A 14 -3.302 7.291 1.801 1.00 2.08 H new ATOM 0 HG11 VAL A 14 -4.919 8.319 3.359 1.00 2.82 H new ATOM 0 HG12 VAL A 14 -4.806 9.221 1.829 1.00 2.82 H new ATOM 0 HG13 VAL A 14 -6.196 8.151 2.130 1.00 2.82 H new ATOM 0 HG21 VAL A 14 -4.541 5.894 3.413 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -5.804 5.616 2.191 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -4.155 5.004 1.921 1.00 2.60 H new ATOM 199 N THR A 15 -3.858 9.321 -0.290 1.00 1.36 N ATOM 200 CA THR A 15 -3.026 10.339 -0.924 1.00 1.37 C ATOM 201 C THR A 15 -1.769 10.608 -0.098 1.00 1.15 C ATOM 202 O THR A 15 -1.687 10.219 1.067 1.00 1.63 O ATOM 203 CB THR A 15 -3.820 11.635 -1.109 1.00 1.93 C ATOM 204 OG1 THR A 15 -3.117 12.541 -1.939 1.00 2.45 O ATOM 205 CG2 THR A 15 -4.123 12.346 0.193 1.00 2.47 C ATOM 0 H THR A 15 -4.536 9.685 0.379 1.00 1.36 H new ATOM 0 HA THR A 15 -2.721 9.967 -1.902 1.00 1.37 H new ATOM 0 HB THR A 15 -4.762 11.331 -1.565 1.00 1.93 H new ATOM 0 HG1 THR A 15 -3.642 13.362 -2.046 1.00 2.45 H new ATOM 0 HG21 THR A 15 -4.687 13.256 -0.012 1.00 2.47 H new ATOM 0 HG22 THR A 15 -4.711 11.692 0.837 1.00 2.47 H new ATOM 0 HG23 THR A 15 -3.189 12.603 0.693 1.00 2.47 H new ATOM 213 N CYS A 16 -0.795 11.278 -0.706 1.00 1.00 N ATOM 214 CA CYS A 16 0.451 11.597 -0.019 1.00 0.91 C ATOM 215 C CYS A 16 1.191 12.746 -0.704 1.00 1.05 C ATOM 216 O CYS A 16 2.274 12.552 -1.260 1.00 1.59 O ATOM 217 CB CYS A 16 1.346 10.364 0.059 1.00 1.11 C ATOM 218 SG CYS A 16 1.493 9.699 1.747 1.00 1.82 S ATOM 0 H CYS A 16 -0.844 11.609 -1.669 1.00 1.00 H new ATOM 0 HA CYS A 16 0.199 11.918 0.992 1.00 0.91 H new ATOM 0 HB2 CYS A 16 0.947 9.590 -0.597 1.00 1.11 H new ATOM 0 HB3 CYS A 16 2.338 10.618 -0.314 1.00 1.11 H new ATOM 223 N PRO A 17 0.610 13.964 -0.706 1.00 1.33 N ATOM 224 CA PRO A 17 1.195 15.129 -1.351 1.00 1.72 C ATOM 225 C PRO A 17 1.818 16.166 -0.402 1.00 1.75 C ATOM 226 O PRO A 17 1.549 17.361 -0.533 1.00 2.05 O ATOM 227 CB PRO A 17 -0.041 15.717 -2.019 1.00 2.51 C ATOM 228 CG PRO A 17 -1.166 15.424 -1.060 1.00 2.77 C ATOM 229 CD PRO A 17 -0.694 14.310 -0.140 1.00 2.00 C ATOM 0 HA PRO A 17 2.032 14.860 -1.995 1.00 1.72 H new ATOM 0 HB2 PRO A 17 0.070 16.789 -2.185 1.00 2.51 H new ATOM 0 HB3 PRO A 17 -0.221 15.261 -2.992 1.00 2.51 H new ATOM 0 HG2 PRO A 17 -1.424 16.314 -0.486 1.00 2.77 H new ATOM 0 HG3 PRO A 17 -2.063 15.122 -1.600 1.00 2.77 H new ATOM 0 HD2 PRO A 17 -0.612 14.645 0.894 1.00 2.00 H new ATOM 0 HD3 PRO A 17 -1.378 13.461 -0.147 1.00 2.00 H new ATOM 237 N PRO A 18 2.668 15.746 0.551 1.00 2.25 N ATOM 238 CA PRO A 18 3.324 16.647 1.486 1.00 2.90 C ATOM 239 C PRO A 18 4.745 16.999 1.043 1.00 2.81 C ATOM 240 O PRO A 18 5.551 17.485 1.835 1.00 3.40 O ATOM 241 CB PRO A 18 3.370 15.789 2.739 1.00 3.70 C ATOM 242 CG PRO A 18 3.634 14.410 2.217 1.00 3.66 C ATOM 243 CD PRO A 18 3.076 14.362 0.807 1.00 2.83 C ATOM 0 HA PRO A 18 2.814 17.604 1.594 1.00 2.90 H new ATOM 0 HB2 PRO A 18 4.156 16.117 3.420 1.00 3.70 H new ATOM 0 HB3 PRO A 18 2.431 15.835 3.290 1.00 3.70 H new ATOM 0 HG2 PRO A 18 4.702 14.194 2.218 1.00 3.66 H new ATOM 0 HG3 PRO A 18 3.157 13.660 2.848 1.00 3.66 H new ATOM 0 HD2 PRO A 18 3.825 14.026 0.090 1.00 2.83 H new ATOM 0 HD3 PRO A 18 2.233 13.675 0.733 1.00 2.83 H new ATOM 251 N GLY A 19 5.052 16.719 -0.223 1.00 2.46 N ATOM 252 CA GLY A 19 6.383 16.980 -0.744 1.00 2.58 C ATOM 253 C GLY A 19 7.208 15.708 -0.785 1.00 1.98 C ATOM 254 O GLY A 19 7.407 15.120 -1.847 1.00 2.27 O ATOM 0 H GLY A 19 4.401 16.316 -0.897 1.00 2.46 H new ATOM 0 HA2 GLY A 19 6.309 17.403 -1.746 1.00 2.58 H new ATOM 0 HA3 GLY A 19 6.882 17.722 -0.121 1.00 2.58 H new ATOM 258 N GLU A 20 7.659 15.271 0.386 1.00 1.91 N ATOM 259 CA GLU A 20 8.435 14.043 0.505 1.00 1.74 C ATOM 260 C GLU A 20 7.587 12.981 1.185 1.00 1.36 C ATOM 261 O GLU A 20 7.410 13.011 2.401 1.00 2.07 O ATOM 262 CB GLU A 20 9.705 14.284 1.323 1.00 2.62 C ATOM 263 CG GLU A 20 10.422 15.577 0.972 1.00 3.53 C ATOM 264 CD GLU A 20 10.617 16.482 2.174 1.00 4.03 C ATOM 265 OE1 GLU A 20 11.618 16.300 2.898 1.00 4.12 O ATOM 266 OE2 GLU A 20 9.768 17.373 2.390 1.00 4.69 O ATOM 0 H GLU A 20 7.499 15.753 1.271 1.00 1.91 H new ATOM 0 HA GLU A 20 8.723 13.710 -0.492 1.00 1.74 H new ATOM 0 HB2 GLU A 20 9.447 14.298 2.382 1.00 2.62 H new ATOM 0 HB3 GLU A 20 10.388 13.448 1.172 1.00 2.62 H new ATOM 0 HG2 GLU A 20 11.394 15.343 0.537 1.00 3.53 H new ATOM 0 HG3 GLU A 20 9.852 16.109 0.210 1.00 3.53 H new ATOM 273 N ASN A 21 7.042 12.054 0.403 1.00 1.08 N ATOM 274 CA ASN A 21 6.195 11.012 0.969 1.00 1.79 C ATOM 275 C ASN A 21 6.074 9.799 0.046 1.00 1.57 C ATOM 276 O ASN A 21 4.995 9.493 -0.462 1.00 2.07 O ATOM 277 CB ASN A 21 4.812 11.592 1.279 1.00 2.76 C ATOM 278 CG ASN A 21 4.491 11.581 2.762 1.00 3.80 C ATOM 279 OD1 ASN A 21 3.353 11.337 3.161 1.00 4.47 O ATOM 280 ND2 ASN A 21 5.491 11.853 3.590 1.00 4.30 N ATOM 0 H ASN A 21 7.169 12.003 -0.608 1.00 1.08 H new ATOM 0 HA ASN A 21 6.662 10.662 1.889 1.00 1.79 H new ATOM 0 HB2 ASN A 21 4.760 12.616 0.908 1.00 2.76 H new ATOM 0 HB3 ASN A 21 4.054 11.020 0.743 1.00 2.76 H new ATOM 0 HD21 ASN A 21 5.330 11.865 4.597 1.00 4.30 H new ATOM 0 HD22 ASN A 21 6.421 12.050 3.219 1.00 4.30 H new ATOM 287 N LEU A 22 7.185 9.092 -0.136 1.00 1.06 N ATOM 288 CA LEU A 22 7.199 7.886 -0.961 1.00 0.90 C ATOM 289 C LEU A 22 6.368 6.803 -0.298 1.00 0.77 C ATOM 290 O LEU A 22 5.733 7.036 0.729 1.00 0.92 O ATOM 291 CB LEU A 22 8.622 7.357 -1.198 1.00 1.01 C ATOM 292 CG LEU A 22 9.724 7.917 -0.305 1.00 0.89 C ATOM 293 CD1 LEU A 22 10.708 6.823 0.038 1.00 1.70 C ATOM 294 CD2 LEU A 22 10.428 9.074 -1.005 1.00 1.13 C ATOM 0 H LEU A 22 8.087 9.332 0.276 1.00 1.06 H new ATOM 0 HA LEU A 22 6.777 8.152 -1.930 1.00 0.90 H new ATOM 0 HB2 LEU A 22 8.606 6.274 -1.078 1.00 1.01 H new ATOM 0 HB3 LEU A 22 8.890 7.559 -2.235 1.00 1.01 H new ATOM 0 HG LEU A 22 9.283 8.292 0.618 1.00 0.89 H new ATOM 0 HD11 LEU A 22 11.494 7.227 0.676 1.00 1.70 H new ATOM 0 HD12 LEU A 22 10.191 6.020 0.564 1.00 1.70 H new ATOM 0 HD13 LEU A 22 11.150 6.431 -0.878 1.00 1.70 H new ATOM 0 HD21 LEU A 22 11.213 9.467 -0.359 1.00 1.13 H new ATOM 0 HD22 LEU A 22 10.868 8.721 -1.938 1.00 1.13 H new ATOM 0 HD23 LEU A 22 9.707 9.862 -1.220 1.00 1.13 H new ATOM 306 N CYS A 23 6.386 5.615 -0.880 1.00 0.69 N ATOM 307 CA CYS A 23 5.644 4.494 -0.333 1.00 0.71 C ATOM 308 C CYS A 23 6.590 3.358 0.014 1.00 0.76 C ATOM 309 O CYS A 23 7.148 2.710 -0.873 1.00 0.99 O ATOM 310 CB CYS A 23 4.596 4.012 -1.327 1.00 0.84 C ATOM 311 SG CYS A 23 3.426 5.302 -1.864 1.00 1.02 S ATOM 0 H CYS A 23 6.907 5.403 -1.731 1.00 0.69 H new ATOM 0 HA CYS A 23 5.139 4.825 0.574 1.00 0.71 H new ATOM 0 HB2 CYS A 23 5.102 3.608 -2.204 1.00 0.84 H new ATOM 0 HB3 CYS A 23 4.035 3.193 -0.878 1.00 0.84 H new ATOM 316 N TYR A 24 6.773 3.117 1.305 1.00 0.74 N ATOM 317 CA TYR A 24 7.654 2.065 1.753 1.00 0.84 C ATOM 318 C TYR A 24 6.885 0.759 1.896 1.00 0.86 C ATOM 319 O TYR A 24 5.655 0.752 1.888 1.00 1.23 O ATOM 320 CB TYR A 24 8.290 2.466 3.081 1.00 1.01 C ATOM 321 CG TYR A 24 7.337 2.413 4.259 1.00 1.03 C ATOM 322 CD1 TYR A 24 6.904 1.196 4.768 1.00 1.62 C ATOM 323 CD2 TYR A 24 6.872 3.578 4.858 1.00 1.57 C ATOM 324 CE1 TYR A 24 6.036 1.136 5.840 1.00 1.74 C ATOM 325 CE2 TYR A 24 6.002 3.527 5.931 1.00 1.68 C ATOM 326 CZ TYR A 24 5.589 2.303 6.418 1.00 1.34 C ATOM 327 OH TYR A 24 4.724 2.249 7.487 1.00 1.57 O ATOM 0 H TYR A 24 6.320 3.639 2.055 1.00 0.74 H new ATOM 0 HA TYR A 24 8.442 1.914 1.015 1.00 0.84 H new ATOM 0 HB2 TYR A 24 9.136 1.808 3.281 1.00 1.01 H new ATOM 0 HB3 TYR A 24 8.686 3.477 2.992 1.00 1.01 H new ATOM 0 HD1 TYR A 24 7.253 0.279 4.317 1.00 1.62 H new ATOM 0 HD2 TYR A 24 7.195 4.537 4.480 1.00 1.57 H new ATOM 0 HE1 TYR A 24 5.710 0.180 6.223 1.00 1.74 H new ATOM 0 HE2 TYR A 24 5.647 4.440 6.386 1.00 1.68 H new ATOM 0 HH TYR A 24 4.506 3.159 7.778 1.00 1.57 H new ATOM 337 N ARG A 25 7.608 -0.345 2.022 1.00 0.81 N ATOM 338 CA ARG A 25 6.964 -1.649 2.159 1.00 0.85 C ATOM 339 C ARG A 25 7.602 -2.490 3.262 1.00 0.85 C ATOM 340 O ARG A 25 8.744 -2.933 3.131 1.00 1.02 O ATOM 341 CB ARG A 25 7.026 -2.407 0.832 1.00 0.99 C ATOM 342 CG ARG A 25 5.848 -3.340 0.611 1.00 1.29 C ATOM 343 CD ARG A 25 5.344 -3.279 -0.823 1.00 1.64 C ATOM 344 NE ARG A 25 5.271 -4.605 -1.433 1.00 1.83 N ATOM 345 CZ ARG A 25 4.762 -4.836 -2.641 1.00 2.23 C ATOM 346 NH1 ARG A 25 4.288 -3.835 -3.372 1.00 2.63 N ATOM 347 NH2 ARG A 25 4.732 -6.073 -3.120 1.00 2.91 N ATOM 0 H ARG A 25 8.628 -0.368 2.033 1.00 0.81 H new ATOM 0 HA ARG A 25 5.925 -1.471 2.435 1.00 0.85 H new ATOM 0 HB2 ARG A 25 7.068 -1.688 0.014 1.00 0.99 H new ATOM 0 HB3 ARG A 25 7.949 -2.986 0.796 1.00 0.99 H new ATOM 0 HG2 ARG A 25 6.143 -4.362 0.850 1.00 1.29 H new ATOM 0 HG3 ARG A 25 5.040 -3.074 1.292 1.00 1.29 H new ATOM 0 HD2 ARG A 25 4.357 -2.816 -0.841 1.00 1.64 H new ATOM 0 HD3 ARG A 25 6.005 -2.644 -1.413 1.00 1.64 H new ATOM 0 HE ARG A 25 5.631 -5.399 -0.903 1.00 1.83 H new ATOM 0 HH11 ARG A 25 4.312 -2.882 -3.009 1.00 2.63 H new ATOM 0 HH12 ARG A 25 3.899 -4.018 -4.297 1.00 2.63 H new ATOM 0 HH21 ARG A 25 5.099 -6.845 -2.563 1.00 2.91 H new ATOM 0 HH22 ARG A 25 4.342 -6.252 -4.045 1.00 2.91 H new ATOM 361 N LYS A 26 6.854 -2.724 4.341 1.00 0.83 N ATOM 362 CA LYS A 26 7.354 -3.538 5.448 1.00 0.89 C ATOM 363 C LYS A 26 7.044 -5.013 5.198 1.00 0.86 C ATOM 364 O LYS A 26 5.920 -5.463 5.423 1.00 1.06 O ATOM 365 CB LYS A 26 6.730 -3.082 6.768 1.00 1.09 C ATOM 366 CG LYS A 26 7.452 -1.905 7.403 1.00 1.23 C ATOM 367 CD LYS A 26 7.072 -1.743 8.865 1.00 1.40 C ATOM 368 CE LYS A 26 5.619 -1.324 9.021 1.00 1.63 C ATOM 369 NZ LYS A 26 5.037 -1.806 10.305 1.00 2.19 N ATOM 0 H LYS A 26 5.908 -2.365 4.471 1.00 0.83 H new ATOM 0 HA LYS A 26 8.435 -3.413 5.513 1.00 0.89 H new ATOM 0 HB2 LYS A 26 5.689 -2.809 6.594 1.00 1.09 H new ATOM 0 HB3 LYS A 26 6.728 -3.918 7.468 1.00 1.09 H new ATOM 0 HG2 LYS A 26 8.529 -2.049 7.320 1.00 1.23 H new ATOM 0 HG3 LYS A 26 7.210 -0.992 6.859 1.00 1.23 H new ATOM 0 HD2 LYS A 26 7.239 -2.683 9.391 1.00 1.40 H new ATOM 0 HD3 LYS A 26 7.718 -0.998 9.329 1.00 1.40 H new ATOM 0 HE2 LYS A 26 5.548 -0.237 8.975 1.00 1.63 H new ATOM 0 HE3 LYS A 26 5.036 -1.717 8.188 1.00 1.63 H new ATOM 0 HZ1 LYS A 26 4.247 -1.189 10.581 1.00 2.19 H new ATOM 0 HZ2 LYS A 26 4.691 -2.780 10.186 1.00 2.19 H new ATOM 0 HZ3 LYS A 26 5.767 -1.786 11.046 1.00 2.19 H new ATOM 383 N MET A 27 8.037 -5.759 4.712 1.00 0.79 N ATOM 384 CA MET A 27 7.847 -7.177 4.408 1.00 0.85 C ATOM 385 C MET A 27 8.995 -8.023 4.963 1.00 0.79 C ATOM 386 O MET A 27 10.087 -7.506 5.202 1.00 0.84 O ATOM 387 CB MET A 27 7.734 -7.344 2.891 1.00 1.03 C ATOM 388 CG MET A 27 8.055 -8.735 2.388 1.00 1.28 C ATOM 389 SD MET A 27 9.818 -8.953 2.059 1.00 1.66 S ATOM 390 CE MET A 27 10.033 -7.873 0.648 1.00 2.08 C ATOM 0 H MET A 27 8.975 -5.407 4.522 1.00 0.79 H new ATOM 0 HA MET A 27 6.932 -7.526 4.886 1.00 0.85 H new ATOM 0 HB2 MET A 27 6.721 -7.085 2.584 1.00 1.03 H new ATOM 0 HB3 MET A 27 8.405 -6.633 2.409 1.00 1.03 H new ATOM 0 HG2 MET A 27 7.731 -9.470 3.125 1.00 1.28 H new ATOM 0 HG3 MET A 27 7.490 -8.929 1.476 1.00 1.28 H new ATOM 0 HE1 MET A 27 10.569 -8.404 -0.138 1.00 2.08 H new ATOM 0 HE2 MET A 27 9.057 -7.562 0.276 1.00 2.08 H new ATOM 0 HE3 MET A 27 10.604 -6.994 0.946 1.00 2.08 H new ATOM 400 N TRP A 28 8.750 -9.329 5.167 1.00 0.77 N ATOM 401 CA TRP A 28 9.789 -10.218 5.704 1.00 0.81 C ATOM 402 C TRP A 28 10.356 -11.130 4.633 1.00 0.98 C ATOM 403 O TRP A 28 11.516 -11.538 4.697 1.00 1.57 O ATOM 404 CB TRP A 28 9.279 -11.093 6.865 1.00 1.07 C ATOM 405 CG TRP A 28 8.460 -10.386 7.908 1.00 0.86 C ATOM 406 CD1 TRP A 28 7.484 -10.939 8.683 1.00 0.88 C ATOM 407 CD2 TRP A 28 8.534 -9.012 8.289 1.00 0.85 C ATOM 408 NE1 TRP A 28 6.946 -9.992 9.513 1.00 0.89 N ATOM 409 CE2 TRP A 28 7.574 -8.802 9.290 1.00 0.89 C ATOM 410 CE3 TRP A 28 9.312 -7.946 7.876 1.00 1.00 C ATOM 411 CZ2 TRP A 28 7.377 -7.562 9.881 1.00 1.07 C ATOM 412 CZ3 TRP A 28 9.123 -6.709 8.463 1.00 1.15 C ATOM 413 CH2 TRP A 28 8.158 -6.526 9.457 1.00 1.19 C ATOM 0 H TRP A 28 7.858 -9.784 4.972 1.00 0.77 H new ATOM 0 HA TRP A 28 10.570 -9.555 6.078 1.00 0.81 H new ATOM 0 HB2 TRP A 28 8.681 -11.903 6.448 1.00 1.07 H new ATOM 0 HB3 TRP A 28 10.139 -11.551 7.354 1.00 1.07 H new ATOM 0 HD1 TRP A 28 7.179 -11.974 8.647 1.00 0.88 H new ATOM 0 HE1 TRP A 28 6.198 -10.151 10.188 1.00 0.89 H new ATOM 0 HE3 TRP A 28 10.057 -8.078 7.105 1.00 1.00 H new ATOM 0 HZ2 TRP A 28 6.632 -7.422 10.650 1.00 1.07 H new ATOM 0 HZ3 TRP A 28 9.730 -5.872 8.149 1.00 1.15 H new ATOM 0 HH2 TRP A 28 8.028 -5.548 9.897 1.00 1.19 H new ATOM 424 N CYS A 29 9.532 -11.461 3.665 1.00 1.10 N ATOM 425 CA CYS A 29 9.959 -12.348 2.587 1.00 1.39 C ATOM 426 C CYS A 29 9.348 -11.983 1.237 1.00 1.62 C ATOM 427 O CYS A 29 10.065 -11.783 0.255 1.00 2.20 O ATOM 428 CB CYS A 29 9.614 -13.806 2.921 1.00 1.50 C ATOM 429 SG CYS A 29 10.162 -15.011 1.667 1.00 1.87 S ATOM 0 H CYS A 29 8.568 -11.136 3.594 1.00 1.10 H new ATOM 0 HA CYS A 29 11.039 -12.227 2.503 1.00 1.39 H new ATOM 0 HB2 CYS A 29 10.066 -14.064 3.879 1.00 1.50 H new ATOM 0 HB3 CYS A 29 8.535 -13.893 3.045 1.00 1.50 H new ATOM 434 N ASP A 30 8.026 -11.922 1.186 1.00 1.38 N ATOM 435 CA ASP A 30 7.320 -11.611 -0.050 1.00 1.74 C ATOM 436 C ASP A 30 7.593 -12.679 -1.105 1.00 1.96 C ATOM 437 O ASP A 30 8.662 -13.288 -1.122 1.00 2.52 O ATOM 438 CB ASP A 30 7.737 -10.240 -0.577 1.00 2.08 C ATOM 439 CG ASP A 30 6.560 -9.433 -1.090 1.00 2.33 C ATOM 440 OD1 ASP A 30 5.904 -8.755 -0.271 1.00 2.75 O ATOM 441 OD2 ASP A 30 6.294 -9.480 -2.309 1.00 2.64 O ATOM 0 H ASP A 30 7.418 -12.084 1.989 1.00 1.38 H new ATOM 0 HA ASP A 30 6.252 -11.593 0.165 1.00 1.74 H new ATOM 0 HB2 ASP A 30 8.235 -9.685 0.218 1.00 2.08 H new ATOM 0 HB3 ASP A 30 8.463 -10.368 -1.380 1.00 2.08 H new ATOM 446 N ALA A 31 6.623 -12.897 -1.989 1.00 2.10 N ATOM 447 CA ALA A 31 6.757 -13.887 -3.055 1.00 2.46 C ATOM 448 C ALA A 31 6.592 -15.311 -2.526 1.00 2.26 C ATOM 449 O ALA A 31 7.547 -16.090 -2.502 1.00 2.66 O ATOM 450 CB ALA A 31 8.098 -13.735 -3.759 1.00 2.98 C ATOM 0 H ALA A 31 5.732 -12.400 -1.988 1.00 2.10 H new ATOM 0 HA ALA A 31 5.958 -13.706 -3.774 1.00 2.46 H new ATOM 0 HB1 ALA A 31 8.180 -14.481 -4.550 1.00 2.98 H new ATOM 0 HB2 ALA A 31 8.171 -12.737 -4.192 1.00 2.98 H new ATOM 0 HB3 ALA A 31 8.905 -13.878 -3.040 1.00 2.98 H new ATOM 456 N PHE A 32 5.373 -15.646 -2.115 1.00 2.11 N ATOM 457 CA PHE A 32 5.070 -16.979 -1.600 1.00 2.17 C ATOM 458 C PHE A 32 6.020 -17.386 -0.475 1.00 1.75 C ATOM 459 O PHE A 32 7.050 -18.014 -0.718 1.00 2.16 O ATOM 460 CB PHE A 32 5.137 -18.011 -2.731 1.00 2.77 C ATOM 461 CG PHE A 32 4.937 -19.428 -2.270 1.00 3.17 C ATOM 462 CD1 PHE A 32 3.662 -19.957 -2.145 1.00 3.74 C ATOM 463 CD2 PHE A 32 6.024 -20.230 -1.958 1.00 3.67 C ATOM 464 CE1 PHE A 32 3.475 -21.258 -1.717 1.00 4.54 C ATOM 465 CE2 PHE A 32 5.844 -21.532 -1.531 1.00 4.50 C ATOM 466 CZ PHE A 32 4.568 -22.046 -1.410 1.00 4.85 C ATOM 0 H PHE A 32 4.575 -15.011 -2.128 1.00 2.11 H new ATOM 0 HA PHE A 32 4.060 -16.947 -1.190 1.00 2.17 H new ATOM 0 HB2 PHE A 32 4.378 -17.770 -3.476 1.00 2.77 H new ATOM 0 HB3 PHE A 32 6.105 -17.933 -3.225 1.00 2.77 H new ATOM 0 HD1 PHE A 32 2.805 -19.346 -2.385 1.00 3.74 H new ATOM 0 HD2 PHE A 32 7.024 -19.832 -2.050 1.00 3.67 H new ATOM 0 HE1 PHE A 32 2.476 -21.658 -1.623 1.00 4.54 H new ATOM 0 HE2 PHE A 32 6.700 -22.146 -1.292 1.00 4.50 H new ATOM 0 HZ PHE A 32 4.424 -23.063 -1.076 1.00 4.85 H new ATOM 476 N CYS A 33 5.656 -17.045 0.757 1.00 1.44 N ATOM 477 CA CYS A 33 6.469 -17.396 1.915 1.00 1.44 C ATOM 478 C CYS A 33 5.582 -17.733 3.119 1.00 1.67 C ATOM 479 O CYS A 33 6.031 -17.678 4.263 1.00 2.41 O ATOM 480 CB CYS A 33 7.438 -16.257 2.261 1.00 1.66 C ATOM 481 SG CYS A 33 9.199 -16.729 2.175 1.00 1.93 S ATOM 0 H CYS A 33 4.806 -16.527 0.979 1.00 1.44 H new ATOM 0 HA CYS A 33 7.054 -18.281 1.664 1.00 1.44 H new ATOM 0 HB2 CYS A 33 7.262 -15.424 1.580 1.00 1.66 H new ATOM 0 HB3 CYS A 33 7.217 -15.899 3.266 1.00 1.66 H new ATOM 486 N SER A 34 4.323 -18.089 2.848 1.00 1.74 N ATOM 487 CA SER A 34 3.376 -18.443 3.909 1.00 2.21 C ATOM 488 C SER A 34 1.997 -18.800 3.331 1.00 2.07 C ATOM 489 O SER A 34 1.791 -19.919 2.862 1.00 2.39 O ATOM 490 CB SER A 34 3.261 -17.298 4.924 1.00 2.92 C ATOM 491 OG SER A 34 4.246 -17.412 5.936 1.00 3.47 O ATOM 0 H SER A 34 3.937 -18.140 1.905 1.00 1.74 H new ATOM 0 HA SER A 34 3.757 -19.326 4.422 1.00 2.21 H new ATOM 0 HB2 SER A 34 3.370 -16.342 4.412 1.00 2.92 H new ATOM 0 HB3 SER A 34 2.269 -17.306 5.375 1.00 2.92 H new ATOM 0 HG SER A 34 5.125 -17.188 5.564 1.00 3.47 H new ATOM 497 N SER A 35 1.056 -17.851 3.363 1.00 2.23 N ATOM 498 CA SER A 35 -0.294 -18.082 2.838 1.00 2.38 C ATOM 499 C SER A 35 -0.805 -16.833 2.127 1.00 2.12 C ATOM 500 O SER A 35 -1.132 -16.867 0.941 1.00 2.53 O ATOM 501 CB SER A 35 -1.248 -18.469 3.968 1.00 2.81 C ATOM 502 OG SER A 35 -2.150 -19.479 3.548 1.00 3.24 O ATOM 0 H SER A 35 1.204 -16.917 3.746 1.00 2.23 H new ATOM 0 HA SER A 35 -0.250 -18.903 2.122 1.00 2.38 H new ATOM 0 HB2 SER A 35 -0.676 -18.821 4.827 1.00 2.81 H new ATOM 0 HB3 SER A 35 -1.806 -17.591 4.295 1.00 2.81 H new ATOM 0 HG SER A 35 -2.749 -19.711 4.288 1.00 3.24 H new ATOM 508 N ARG A 36 -0.821 -15.721 2.853 1.00 2.05 N ATOM 509 CA ARG A 36 -1.234 -14.438 2.307 1.00 2.00 C ATOM 510 C ARG A 36 0.010 -13.750 1.799 1.00 2.04 C ATOM 511 O ARG A 36 0.324 -12.628 2.188 1.00 2.72 O ATOM 512 CB ARG A 36 -1.912 -13.585 3.391 1.00 2.08 C ATOM 513 CG ARG A 36 -2.664 -12.358 2.874 1.00 1.74 C ATOM 514 CD ARG A 36 -3.475 -12.700 1.629 1.00 2.68 C ATOM 515 NE ARG A 36 -2.753 -12.402 0.395 1.00 3.20 N ATOM 516 CZ ARG A 36 -3.063 -12.930 -0.789 1.00 3.94 C ATOM 517 NH1 ARG A 36 -4.080 -13.775 -0.900 1.00 4.27 N ATOM 518 NH2 ARG A 36 -2.356 -12.612 -1.865 1.00 4.76 N ATOM 0 H ARG A 36 -0.548 -15.686 3.835 1.00 2.05 H new ATOM 0 HA ARG A 36 -1.956 -14.577 1.502 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -2.610 -14.214 3.943 1.00 2.08 H new ATOM 0 HB3 ARG A 36 -1.152 -13.255 4.100 1.00 2.08 H new ATOM 0 HG2 ARG A 36 -3.327 -11.979 3.652 1.00 1.74 H new ATOM 0 HG3 ARG A 36 -1.955 -11.563 2.644 1.00 1.74 H new ATOM 0 HD2 ARG A 36 -3.736 -13.758 1.648 1.00 2.68 H new ATOM 0 HD3 ARG A 36 -4.411 -12.141 1.643 1.00 2.68 H new ATOM 0 HE ARG A 36 -1.967 -11.753 0.442 1.00 3.20 H new ATOM 0 HH11 ARG A 36 -4.629 -14.023 -0.077 1.00 4.27 H new ATOM 0 HH12 ARG A 36 -4.313 -14.176 -1.808 1.00 4.27 H new ATOM 0 HH21 ARG A 36 -1.573 -11.962 -1.787 1.00 4.76 H new ATOM 0 HH22 ARG A 36 -2.595 -13.017 -2.770 1.00 4.76 H new ATOM 532 N GLY A 37 0.758 -14.479 0.976 1.00 1.75 N ATOM 533 CA GLY A 37 2.012 -13.967 0.470 1.00 2.21 C ATOM 534 C GLY A 37 2.950 -13.736 1.625 1.00 1.79 C ATOM 535 O GLY A 37 3.529 -14.681 2.158 1.00 2.20 O ATOM 0 H GLY A 37 0.515 -15.415 0.652 1.00 1.75 H new ATOM 0 HA2 GLY A 37 2.450 -14.674 -0.235 1.00 2.21 H new ATOM 0 HA3 GLY A 37 1.847 -13.036 -0.073 1.00 2.21 H new ATOM 539 N LYS A 38 3.038 -12.493 2.059 1.00 1.40 N ATOM 540 CA LYS A 38 3.846 -12.150 3.214 1.00 1.39 C ATOM 541 C LYS A 38 3.555 -10.753 3.684 1.00 1.23 C ATOM 542 O LYS A 38 2.916 -9.952 3.003 1.00 1.86 O ATOM 543 CB LYS A 38 5.356 -12.254 2.967 1.00 1.66 C ATOM 544 CG LYS A 38 5.898 -13.673 2.965 1.00 2.44 C ATOM 545 CD LYS A 38 5.463 -14.450 4.201 1.00 3.26 C ATOM 546 CE LYS A 38 6.239 -14.019 5.438 1.00 4.06 C ATOM 547 NZ LYS A 38 7.697 -13.888 5.172 1.00 4.85 N ATOM 0 H LYS A 38 2.559 -11.702 1.628 1.00 1.40 H new ATOM 0 HA LYS A 38 3.571 -12.885 3.971 1.00 1.39 H new ATOM 0 HB2 LYS A 38 5.587 -11.789 2.009 1.00 1.66 H new ATOM 0 HB3 LYS A 38 5.877 -11.681 3.734 1.00 1.66 H new ATOM 0 HG2 LYS A 38 5.553 -14.192 2.070 1.00 2.44 H new ATOM 0 HG3 LYS A 38 6.987 -13.646 2.918 1.00 2.44 H new ATOM 0 HD2 LYS A 38 4.397 -14.299 4.369 1.00 3.26 H new ATOM 0 HD3 LYS A 38 5.611 -15.516 4.031 1.00 3.26 H new ATOM 0 HE2 LYS A 38 5.850 -13.065 5.794 1.00 4.06 H new ATOM 0 HE3 LYS A 38 6.081 -14.746 6.235 1.00 4.06 H new ATOM 0 HZ1 LYS A 38 8.212 -13.845 6.074 1.00 4.85 H new ATOM 0 HZ2 LYS A 38 8.025 -14.709 4.625 1.00 4.85 H new ATOM 0 HZ3 LYS A 38 7.874 -13.018 4.631 1.00 4.85 H new ATOM 561 N VAL A 39 4.078 -10.481 4.850 1.00 0.90 N ATOM 562 CA VAL A 39 3.967 -9.191 5.484 1.00 0.75 C ATOM 563 C VAL A 39 4.305 -8.088 4.487 1.00 0.80 C ATOM 564 O VAL A 39 5.279 -8.193 3.746 1.00 1.62 O ATOM 565 CB VAL A 39 4.951 -9.153 6.659 1.00 0.73 C ATOM 566 CG1 VAL A 39 6.243 -9.788 6.237 1.00 0.77 C ATOM 567 CG2 VAL A 39 5.177 -7.749 7.159 1.00 0.82 C ATOM 0 H VAL A 39 4.604 -11.162 5.398 1.00 0.90 H new ATOM 0 HA VAL A 39 2.949 -9.032 5.838 1.00 0.75 H new ATOM 0 HB VAL A 39 4.523 -9.714 7.490 1.00 0.73 H new ATOM 0 HG11 VAL A 39 6.948 -9.765 7.068 1.00 0.77 H new ATOM 0 HG12 VAL A 39 6.062 -10.822 5.944 1.00 0.77 H new ATOM 0 HG13 VAL A 39 6.659 -9.239 5.392 1.00 0.77 H new ATOM 0 HG21 VAL A 39 5.880 -7.768 7.991 1.00 0.82 H new ATOM 0 HG22 VAL A 39 5.584 -7.137 6.354 1.00 0.82 H new ATOM 0 HG23 VAL A 39 4.230 -7.325 7.494 1.00 0.82 H new ATOM 577 N VAL A 40 3.503 -7.038 4.472 1.00 1.00 N ATOM 578 CA VAL A 40 3.738 -5.925 3.567 1.00 0.94 C ATOM 579 C VAL A 40 2.995 -4.693 4.033 1.00 0.99 C ATOM 580 O VAL A 40 2.282 -4.042 3.268 1.00 1.40 O ATOM 581 CB VAL A 40 3.362 -6.238 2.106 1.00 1.03 C ATOM 582 CG1 VAL A 40 4.610 -6.589 1.329 1.00 1.25 C ATOM 583 CG2 VAL A 40 2.333 -7.357 2.011 1.00 1.31 C ATOM 0 H VAL A 40 2.686 -6.932 5.073 1.00 1.00 H new ATOM 0 HA VAL A 40 4.812 -5.740 3.588 1.00 0.94 H new ATOM 0 HB VAL A 40 2.903 -5.349 1.673 1.00 1.03 H new ATOM 0 HG11 VAL A 40 4.345 -6.811 0.295 1.00 1.25 H new ATOM 0 HG12 VAL A 40 5.303 -5.748 1.354 1.00 1.25 H new ATOM 0 HG13 VAL A 40 5.084 -7.462 1.777 1.00 1.25 H new ATOM 0 HG21 VAL A 40 2.096 -7.546 0.964 1.00 1.31 H new ATOM 0 HG22 VAL A 40 2.739 -8.263 2.460 1.00 1.31 H new ATOM 0 HG23 VAL A 40 1.427 -7.064 2.541 1.00 1.31 H new ATOM 593 N GLU A 41 3.189 -4.374 5.296 1.00 1.12 N ATOM 594 CA GLU A 41 2.566 -3.209 5.885 1.00 1.31 C ATOM 595 C GLU A 41 3.060 -1.950 5.192 1.00 1.09 C ATOM 596 O GLU A 41 4.019 -1.314 5.636 1.00 1.20 O ATOM 597 CB GLU A 41 2.865 -3.133 7.380 1.00 1.75 C ATOM 598 CG GLU A 41 2.127 -4.177 8.201 1.00 2.24 C ATOM 599 CD GLU A 41 2.482 -4.117 9.675 1.00 2.85 C ATOM 600 OE1 GLU A 41 3.598 -4.548 10.034 1.00 3.41 O ATOM 601 OE2 GLU A 41 1.646 -3.637 10.468 1.00 3.33 O ATOM 0 H GLU A 41 3.776 -4.909 5.936 1.00 1.12 H new ATOM 0 HA GLU A 41 1.487 -3.292 5.753 1.00 1.31 H new ATOM 0 HB2 GLU A 41 3.937 -3.253 7.534 1.00 1.75 H new ATOM 0 HB3 GLU A 41 2.599 -2.141 7.745 1.00 1.75 H new ATOM 0 HG2 GLU A 41 1.053 -4.034 8.084 1.00 2.24 H new ATOM 0 HG3 GLU A 41 2.360 -5.169 7.815 1.00 2.24 H new ATOM 608 N LEU A 42 2.406 -1.606 4.093 1.00 1.16 N ATOM 609 CA LEU A 42 2.770 -0.423 3.328 1.00 1.39 C ATOM 610 C LEU A 42 2.692 0.824 4.206 1.00 1.07 C ATOM 611 O LEU A 42 2.340 0.743 5.383 1.00 1.33 O ATOM 612 CB LEU A 42 1.849 -0.264 2.116 1.00 2.10 C ATOM 613 CG LEU A 42 2.305 -0.991 0.849 1.00 2.81 C ATOM 614 CD1 LEU A 42 3.737 -0.615 0.503 1.00 3.51 C ATOM 615 CD2 LEU A 42 2.174 -2.498 1.024 1.00 3.51 C ATOM 0 H LEU A 42 1.619 -2.130 3.710 1.00 1.16 H new ATOM 0 HA LEU A 42 3.795 -0.545 2.978 1.00 1.39 H new ATOM 0 HB2 LEU A 42 0.856 -0.625 2.385 1.00 2.10 H new ATOM 0 HB3 LEU A 42 1.752 0.798 1.891 1.00 2.10 H new ATOM 0 HG LEU A 42 1.662 -0.683 0.025 1.00 2.81 H new ATOM 0 HD11 LEU A 42 4.043 -1.142 -0.401 1.00 3.51 H new ATOM 0 HD12 LEU A 42 3.801 0.460 0.335 1.00 3.51 H new ATOM 0 HD13 LEU A 42 4.395 -0.893 1.326 1.00 3.51 H new ATOM 0 HD21 LEU A 42 2.502 -3.000 0.114 1.00 3.51 H new ATOM 0 HD22 LEU A 42 2.793 -2.822 1.861 1.00 3.51 H new ATOM 0 HD23 LEU A 42 1.133 -2.752 1.223 1.00 3.51 H new ATOM 627 N GLY A 43 3.028 1.967 3.628 1.00 0.94 N ATOM 628 CA GLY A 43 3.004 3.205 4.351 1.00 1.07 C ATOM 629 C GLY A 43 3.561 4.331 3.517 1.00 0.96 C ATOM 630 O GLY A 43 3.842 4.159 2.331 1.00 1.16 O ATOM 0 H GLY A 43 3.320 2.051 2.654 1.00 0.94 H new ATOM 0 HA2 GLY A 43 1.981 3.438 4.645 1.00 1.07 H new ATOM 0 HA3 GLY A 43 3.585 3.106 5.268 1.00 1.07 H new ATOM 634 N CYS A 44 3.718 5.480 4.136 1.00 0.84 N ATOM 635 CA CYS A 44 4.238 6.653 3.444 1.00 0.76 C ATOM 636 C CYS A 44 5.377 7.305 4.237 1.00 0.86 C ATOM 637 O CYS A 44 5.202 7.687 5.394 1.00 1.07 O ATOM 638 CB CYS A 44 3.098 7.648 3.217 1.00 0.81 C ATOM 639 SG CYS A 44 3.293 8.757 1.790 1.00 1.35 S ATOM 0 H CYS A 44 3.494 5.634 5.119 1.00 0.84 H new ATOM 0 HA CYS A 44 4.647 6.344 2.482 1.00 0.76 H new ATOM 0 HB2 CYS A 44 2.171 7.088 3.095 1.00 0.81 H new ATOM 0 HB3 CYS A 44 2.987 8.257 4.114 1.00 0.81 H new ATOM 644 N ALA A 45 6.543 7.429 3.599 1.00 0.87 N ATOM 645 CA ALA A 45 7.719 8.031 4.235 1.00 1.04 C ATOM 646 C ALA A 45 8.306 9.136 3.357 1.00 1.05 C ATOM 647 O ALA A 45 8.049 9.180 2.160 1.00 1.16 O ATOM 648 CB ALA A 45 8.768 6.969 4.520 1.00 1.21 C ATOM 0 H ALA A 45 6.699 7.120 2.640 1.00 0.87 H new ATOM 0 HA ALA A 45 7.406 8.476 5.179 1.00 1.04 H new ATOM 0 HB1 ALA A 45 9.635 7.431 4.992 1.00 1.21 H new ATOM 0 HB2 ALA A 45 8.350 6.215 5.187 1.00 1.21 H new ATOM 0 HB3 ALA A 45 9.072 6.498 3.585 1.00 1.21 H new ATOM 654 N ALA A 46 9.080 10.038 3.956 1.00 1.25 N ATOM 655 CA ALA A 46 9.678 11.150 3.216 1.00 1.34 C ATOM 656 C ALA A 46 11.093 10.847 2.719 1.00 1.36 C ATOM 657 O ALA A 46 11.733 11.711 2.119 1.00 1.78 O ATOM 658 CB ALA A 46 9.695 12.394 4.089 1.00 1.57 C ATOM 0 H ALA A 46 9.308 10.022 4.950 1.00 1.25 H new ATOM 0 HA ALA A 46 9.061 11.313 2.332 1.00 1.34 H new ATOM 0 HB1 ALA A 46 10.141 13.221 3.536 1.00 1.57 H new ATOM 0 HB2 ALA A 46 8.675 12.654 4.371 1.00 1.57 H new ATOM 0 HB3 ALA A 46 10.282 12.200 4.987 1.00 1.57 H new ATOM 664 N THR A 47 11.590 9.639 2.967 1.00 1.21 N ATOM 665 CA THR A 47 12.940 9.281 2.530 1.00 1.35 C ATOM 666 C THR A 47 12.968 7.929 1.824 1.00 1.45 C ATOM 667 O THR A 47 12.278 6.994 2.224 1.00 2.27 O ATOM 668 CB THR A 47 13.900 9.270 3.721 1.00 1.55 C ATOM 669 OG1 THR A 47 13.541 8.257 4.644 1.00 2.06 O ATOM 670 CG2 THR A 47 13.937 10.585 4.471 1.00 2.18 C ATOM 0 H THR A 47 11.089 8.900 3.460 1.00 1.21 H new ATOM 0 HA THR A 47 13.262 10.037 1.814 1.00 1.35 H new ATOM 0 HB THR A 47 14.887 9.085 3.297 1.00 1.55 H new ATOM 0 HG1 THR A 47 14.167 8.264 5.398 1.00 2.06 H new ATOM 0 HG21 THR A 47 14.637 10.510 5.303 1.00 2.18 H new ATOM 0 HG22 THR A 47 14.259 11.379 3.797 1.00 2.18 H new ATOM 0 HG23 THR A 47 12.942 10.814 4.853 1.00 2.18 H new ATOM 678 N CYS A 48 13.772 7.843 0.762 1.00 1.30 N ATOM 679 CA CYS A 48 13.893 6.616 -0.026 1.00 1.60 C ATOM 680 C CYS A 48 15.277 5.971 0.091 1.00 1.50 C ATOM 681 O CYS A 48 15.971 5.809 -0.913 1.00 1.89 O ATOM 682 CB CYS A 48 13.595 6.915 -1.499 1.00 2.23 C ATOM 683 SG CYS A 48 12.920 5.507 -2.444 1.00 2.27 S ATOM 0 H CYS A 48 14.351 8.613 0.427 1.00 1.30 H new ATOM 0 HA CYS A 48 13.168 5.907 0.375 1.00 1.60 H new ATOM 0 HB2 CYS A 48 12.887 7.742 -1.551 1.00 2.23 H new ATOM 0 HB3 CYS A 48 14.514 7.250 -1.980 1.00 2.23 H new ATOM 688 N PRO A 49 15.698 5.579 1.308 1.00 1.67 N ATOM 689 CA PRO A 49 16.996 4.929 1.518 1.00 2.01 C ATOM 690 C PRO A 49 17.224 3.772 0.545 1.00 1.97 C ATOM 691 O PRO A 49 16.453 3.573 -0.393 1.00 2.38 O ATOM 692 CB PRO A 49 16.900 4.388 2.944 1.00 2.64 C ATOM 693 CG PRO A 49 15.909 5.264 3.624 1.00 2.84 C ATOM 694 CD PRO A 49 14.944 5.729 2.564 1.00 2.20 C ATOM 0 HA PRO A 49 17.823 5.621 1.359 1.00 2.01 H new ATOM 0 HB2 PRO A 49 16.576 3.347 2.950 1.00 2.64 H new ATOM 0 HB3 PRO A 49 17.867 4.424 3.445 1.00 2.64 H new ATOM 0 HG2 PRO A 49 15.387 4.720 4.411 1.00 2.84 H new ATOM 0 HG3 PRO A 49 16.403 6.113 4.097 1.00 2.84 H new ATOM 0 HD2 PRO A 49 14.036 5.127 2.559 1.00 2.20 H new ATOM 0 HD3 PRO A 49 14.640 6.763 2.726 1.00 2.20 H new ATOM 702 N SER A 50 18.281 3.002 0.780 1.00 2.11 N ATOM 703 CA SER A 50 18.590 1.863 -0.081 1.00 2.30 C ATOM 704 C SER A 50 19.796 1.083 0.432 1.00 1.95 C ATOM 705 O SER A 50 20.834 1.664 0.753 1.00 2.12 O ATOM 706 CB SER A 50 18.849 2.336 -1.513 1.00 3.06 C ATOM 707 OG SER A 50 19.179 1.248 -2.359 1.00 3.47 O ATOM 0 H SER A 50 18.933 3.142 1.551 1.00 2.11 H new ATOM 0 HA SER A 50 17.727 1.197 -0.069 1.00 2.30 H new ATOM 0 HB2 SER A 50 17.964 2.844 -1.897 1.00 3.06 H new ATOM 0 HB3 SER A 50 19.661 3.063 -1.518 1.00 3.06 H new ATOM 0 HG SER A 50 19.338 1.577 -3.268 1.00 3.47 H new ATOM 713 N LYS A 51 19.651 -0.237 0.501 1.00 1.81 N ATOM 714 CA LYS A 51 20.724 -1.106 0.967 1.00 1.81 C ATOM 715 C LYS A 51 20.306 -2.570 0.848 1.00 1.86 C ATOM 716 O LYS A 51 19.389 -2.899 0.097 1.00 2.42 O ATOM 717 CB LYS A 51 21.088 -0.764 2.415 1.00 2.17 C ATOM 718 CG LYS A 51 20.024 -1.162 3.425 1.00 2.27 C ATOM 719 CD LYS A 51 20.013 -0.227 4.623 1.00 2.64 C ATOM 720 CE LYS A 51 21.349 -0.238 5.350 1.00 3.02 C ATOM 721 NZ LYS A 51 21.433 0.839 6.374 1.00 3.62 N ATOM 0 H LYS A 51 18.797 -0.729 0.239 1.00 1.81 H new ATOM 0 HA LYS A 51 21.604 -0.948 0.343 1.00 1.81 H new ATOM 0 HB2 LYS A 51 22.024 -1.261 2.672 1.00 2.17 H new ATOM 0 HB3 LYS A 51 21.265 0.309 2.492 1.00 2.17 H new ATOM 0 HG2 LYS A 51 19.045 -1.152 2.946 1.00 2.27 H new ATOM 0 HG3 LYS A 51 20.204 -2.183 3.761 1.00 2.27 H new ATOM 0 HD2 LYS A 51 19.785 0.787 4.293 1.00 2.64 H new ATOM 0 HD3 LYS A 51 19.221 -0.524 5.310 1.00 2.64 H new ATOM 0 HE2 LYS A 51 21.494 -1.206 5.829 1.00 3.02 H new ATOM 0 HE3 LYS A 51 22.156 -0.116 4.628 1.00 3.02 H new ATOM 0 HZ1 LYS A 51 22.358 0.797 6.847 1.00 3.62 H new ATOM 0 HZ2 LYS A 51 21.321 1.765 5.914 1.00 3.62 H new ATOM 0 HZ3 LYS A 51 20.679 0.708 7.078 1.00 3.62 H new ATOM 735 N LYS A 52 20.975 -3.445 1.593 1.00 1.89 N ATOM 736 CA LYS A 52 20.655 -4.866 1.570 1.00 2.02 C ATOM 737 C LYS A 52 19.910 -5.260 2.841 1.00 1.85 C ATOM 738 O LYS A 52 20.481 -5.877 3.741 1.00 2.17 O ATOM 739 CB LYS A 52 21.930 -5.698 1.428 1.00 2.50 C ATOM 740 CG LYS A 52 22.323 -5.970 -0.015 1.00 2.79 C ATOM 741 CD LYS A 52 23.830 -6.084 -0.170 1.00 2.92 C ATOM 742 CE LYS A 52 24.347 -7.405 0.378 1.00 2.95 C ATOM 743 NZ LYS A 52 24.690 -7.310 1.825 1.00 3.19 N ATOM 0 H LYS A 52 21.741 -3.194 2.219 1.00 1.89 H new ATOM 0 HA LYS A 52 20.013 -5.062 0.711 1.00 2.02 H new ATOM 0 HB2 LYS A 52 22.749 -5.180 1.927 1.00 2.50 H new ATOM 0 HB3 LYS A 52 21.793 -6.649 1.944 1.00 2.50 H new ATOM 0 HG2 LYS A 52 21.851 -6.892 -0.354 1.00 2.79 H new ATOM 0 HG3 LYS A 52 21.950 -5.168 -0.652 1.00 2.79 H new ATOM 0 HD2 LYS A 52 24.096 -5.996 -1.223 1.00 2.92 H new ATOM 0 HD3 LYS A 52 24.314 -5.258 0.351 1.00 2.92 H new ATOM 0 HE2 LYS A 52 23.592 -8.178 0.234 1.00 2.95 H new ATOM 0 HE3 LYS A 52 25.229 -7.711 -0.185 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 25.322 -8.094 2.084 1.00 3.19 H new ATOM 0 HZ2 LYS A 52 25.168 -6.405 2.010 1.00 3.19 H new ATOM 0 HZ3 LYS A 52 23.820 -7.364 2.392 1.00 3.19 H new ATOM 757 N PRO A 53 18.617 -4.900 2.938 1.00 1.54 N ATOM 758 CA PRO A 53 17.800 -5.211 4.112 1.00 1.53 C ATOM 759 C PRO A 53 17.600 -6.701 4.317 1.00 1.70 C ATOM 760 O PRO A 53 17.642 -7.193 5.445 1.00 2.18 O ATOM 761 CB PRO A 53 16.444 -4.554 3.813 1.00 1.31 C ATOM 762 CG PRO A 53 16.424 -4.350 2.337 1.00 1.55 C ATOM 763 CD PRO A 53 17.856 -4.157 1.916 1.00 1.49 C ATOM 0 HA PRO A 53 18.281 -4.850 5.021 1.00 1.53 H new ATOM 0 HB2 PRO A 53 15.619 -5.190 4.133 1.00 1.31 H new ATOM 0 HB3 PRO A 53 16.340 -3.607 4.343 1.00 1.31 H new ATOM 0 HG2 PRO A 53 15.983 -5.209 1.832 1.00 1.55 H new ATOM 0 HG3 PRO A 53 15.821 -3.481 2.073 1.00 1.55 H new ATOM 0 HD2 PRO A 53 18.037 -4.550 0.916 1.00 1.49 H new ATOM 0 HD3 PRO A 53 18.131 -3.102 1.898 1.00 1.49 H new ATOM 771 N TYR A 54 17.322 -7.405 3.226 1.00 1.87 N ATOM 772 CA TYR A 54 17.046 -8.834 3.295 1.00 2.10 C ATOM 773 C TYR A 54 15.731 -9.060 4.045 1.00 1.75 C ATOM 774 O TYR A 54 15.288 -10.194 4.223 1.00 2.06 O ATOM 775 CB TYR A 54 18.191 -9.584 3.984 1.00 2.60 C ATOM 776 CG TYR A 54 19.287 -10.017 3.037 1.00 3.05 C ATOM 777 CD1 TYR A 54 18.989 -10.705 1.867 1.00 3.73 C ATOM 778 CD2 TYR A 54 20.620 -9.737 3.312 1.00 3.32 C ATOM 779 CE1 TYR A 54 19.987 -11.101 0.997 1.00 4.38 C ATOM 780 CE2 TYR A 54 21.623 -10.130 2.448 1.00 3.91 C ATOM 781 CZ TYR A 54 21.303 -10.811 1.293 1.00 4.33 C ATOM 782 OH TYR A 54 22.300 -11.203 0.430 1.00 5.08 O ATOM 0 H TYR A 54 17.282 -7.011 2.286 1.00 1.87 H new ATOM 0 HA TYR A 54 16.958 -9.224 2.281 1.00 2.10 H new ATOM 0 HB2 TYR A 54 18.620 -8.945 4.756 1.00 2.60 H new ATOM 0 HB3 TYR A 54 17.788 -10.463 4.486 1.00 2.60 H new ATOM 0 HD1 TYR A 54 17.960 -10.934 1.634 1.00 3.73 H new ATOM 0 HD2 TYR A 54 20.876 -9.204 4.216 1.00 3.32 H new ATOM 0 HE1 TYR A 54 19.738 -11.634 0.091 1.00 4.38 H new ATOM 0 HE2 TYR A 54 22.654 -9.905 2.676 1.00 3.91 H new ATOM 0 HH TYR A 54 23.169 -10.921 0.784 1.00 5.08 H new ATOM 792 N GLU A 55 15.118 -7.947 4.474 1.00 1.38 N ATOM 793 CA GLU A 55 13.860 -7.938 5.201 1.00 1.41 C ATOM 794 C GLU A 55 13.762 -6.673 6.047 1.00 1.82 C ATOM 795 O GLU A 55 14.138 -6.666 7.218 1.00 2.76 O ATOM 796 CB GLU A 55 13.708 -9.172 6.091 1.00 1.83 C ATOM 797 CG GLU A 55 14.960 -9.515 6.881 1.00 2.25 C ATOM 798 CD GLU A 55 14.669 -9.802 8.340 1.00 2.84 C ATOM 799 OE1 GLU A 55 13.960 -8.992 8.975 1.00 3.44 O ATOM 800 OE2 GLU A 55 15.149 -10.836 8.849 1.00 3.23 O ATOM 0 H GLU A 55 15.499 -7.014 4.317 1.00 1.38 H new ATOM 0 HA GLU A 55 13.053 -7.957 4.469 1.00 1.41 H new ATOM 0 HB2 GLU A 55 12.884 -9.008 6.786 1.00 1.83 H new ATOM 0 HB3 GLU A 55 13.436 -10.025 5.470 1.00 1.83 H new ATOM 0 HG2 GLU A 55 15.441 -10.384 6.433 1.00 2.25 H new ATOM 0 HG3 GLU A 55 15.667 -8.688 6.811 1.00 2.25 H new ATOM 807 N GLU A 56 13.262 -5.603 5.437 1.00 1.48 N ATOM 808 CA GLU A 56 13.120 -4.324 6.121 1.00 2.23 C ATOM 809 C GLU A 56 12.123 -3.437 5.374 1.00 1.95 C ATOM 810 O GLU A 56 11.201 -3.945 4.736 1.00 2.10 O ATOM 811 CB GLU A 56 14.487 -3.641 6.239 1.00 3.00 C ATOM 812 CG GLU A 56 14.806 -3.142 7.641 1.00 3.90 C ATOM 813 CD GLU A 56 13.664 -2.359 8.262 1.00 4.81 C ATOM 814 OE1 GLU A 56 12.716 -2.994 8.770 1.00 5.45 O ATOM 815 OE2 GLU A 56 13.720 -1.111 8.240 1.00 5.23 O ATOM 0 H GLU A 56 12.948 -5.597 4.467 1.00 1.48 H new ATOM 0 HA GLU A 56 12.735 -4.493 7.127 1.00 2.23 H new ATOM 0 HB2 GLU A 56 15.261 -4.343 5.928 1.00 3.00 H new ATOM 0 HB3 GLU A 56 14.523 -2.800 5.547 1.00 3.00 H new ATOM 0 HG2 GLU A 56 15.046 -3.993 8.279 1.00 3.90 H new ATOM 0 HG3 GLU A 56 15.694 -2.512 7.604 1.00 3.90 H new ATOM 822 N VAL A 57 12.290 -2.118 5.456 1.00 1.67 N ATOM 823 CA VAL A 57 11.373 -1.206 4.780 1.00 1.42 C ATOM 824 C VAL A 57 11.924 -0.756 3.431 1.00 1.40 C ATOM 825 O VAL A 57 12.963 -0.101 3.357 1.00 1.59 O ATOM 826 CB VAL A 57 11.067 0.044 5.628 1.00 1.41 C ATOM 827 CG1 VAL A 57 9.770 0.702 5.170 1.00 1.30 C ATOM 828 CG2 VAL A 57 11.005 -0.306 7.109 1.00 1.54 C ATOM 0 H VAL A 57 13.041 -1.663 5.976 1.00 1.67 H new ATOM 0 HA VAL A 57 10.451 -1.767 4.630 1.00 1.42 H new ATOM 0 HB VAL A 57 11.878 0.758 5.485 1.00 1.41 H new ATOM 0 HG11 VAL A 57 9.573 1.582 5.782 1.00 1.30 H new ATOM 0 HG12 VAL A 57 9.862 0.999 4.125 1.00 1.30 H new ATOM 0 HG13 VAL A 57 8.947 -0.005 5.275 1.00 1.30 H new ATOM 0 HG21 VAL A 57 10.788 0.593 7.686 1.00 1.54 H new ATOM 0 HG22 VAL A 57 10.220 -1.043 7.276 1.00 1.54 H new ATOM 0 HG23 VAL A 57 11.963 -0.718 7.426 1.00 1.54 H new ATOM 838 N THR A 58 11.200 -1.094 2.370 1.00 1.27 N ATOM 839 CA THR A 58 11.592 -0.710 1.020 1.00 1.34 C ATOM 840 C THR A 58 11.118 0.709 0.742 1.00 1.12 C ATOM 841 O THR A 58 10.462 1.318 1.589 1.00 1.30 O ATOM 842 CB THR A 58 10.999 -1.674 -0.007 1.00 1.50 C ATOM 843 OG1 THR A 58 10.755 -2.942 0.577 1.00 2.10 O ATOM 844 CG2 THR A 58 11.888 -1.887 -1.214 1.00 1.84 C ATOM 0 H THR A 58 10.336 -1.635 2.420 1.00 1.27 H new ATOM 0 HA THR A 58 12.678 -0.753 0.940 1.00 1.34 H new ATOM 0 HB THR A 58 10.072 -1.207 -0.338 1.00 1.50 H new ATOM 0 HG1 THR A 58 10.374 -3.544 -0.096 1.00 2.10 H new ATOM 0 HG21 THR A 58 11.407 -2.582 -1.902 1.00 1.84 H new ATOM 0 HG22 THR A 58 12.053 -0.934 -1.717 1.00 1.84 H new ATOM 0 HG23 THR A 58 12.845 -2.299 -0.893 1.00 1.84 H new ATOM 852 N CYS A 59 11.444 1.248 -0.429 1.00 0.96 N ATOM 853 CA CYS A 59 11.023 2.608 -0.749 1.00 0.91 C ATOM 854 C CYS A 59 10.772 2.802 -2.248 1.00 0.85 C ATOM 855 O CYS A 59 11.240 2.019 -3.075 1.00 0.97 O ATOM 856 CB CYS A 59 12.075 3.600 -0.247 1.00 1.12 C ATOM 857 SG CYS A 59 13.476 3.866 -1.385 1.00 1.76 S ATOM 0 H CYS A 59 11.984 0.779 -1.156 1.00 0.96 H new ATOM 0 HA CYS A 59 10.074 2.792 -0.245 1.00 0.91 H new ATOM 0 HB2 CYS A 59 11.591 4.558 -0.059 1.00 1.12 H new ATOM 0 HB3 CYS A 59 12.463 3.245 0.708 1.00 1.12 H new ATOM 862 N CYS A 60 10.030 3.861 -2.582 1.00 0.81 N ATOM 863 CA CYS A 60 9.704 4.189 -3.964 1.00 0.92 C ATOM 864 C CYS A 60 8.755 5.378 -3.999 1.00 1.07 C ATOM 865 O CYS A 60 7.562 5.240 -3.732 1.00 1.18 O ATOM 866 CB CYS A 60 9.064 2.996 -4.680 1.00 1.06 C ATOM 867 SG CYS A 60 8.632 3.332 -6.418 1.00 1.28 S ATOM 0 H CYS A 60 9.641 4.512 -1.900 1.00 0.81 H new ATOM 0 HA CYS A 60 10.629 4.441 -4.482 1.00 0.92 H new ATOM 0 HB2 CYS A 60 9.750 2.150 -4.642 1.00 1.06 H new ATOM 0 HB3 CYS A 60 8.164 2.700 -4.141 1.00 1.06 H new ATOM 872 N SER A 61 9.293 6.548 -4.309 1.00 1.42 N ATOM 873 CA SER A 61 8.500 7.761 -4.355 1.00 1.75 C ATOM 874 C SER A 61 7.699 7.855 -5.645 1.00 1.50 C ATOM 875 O SER A 61 7.193 6.852 -6.146 1.00 2.04 O ATOM 876 CB SER A 61 9.418 8.980 -4.186 1.00 2.45 C ATOM 877 OG SER A 61 8.697 10.097 -3.699 1.00 3.07 O ATOM 0 H SER A 61 10.279 6.680 -4.533 1.00 1.42 H new ATOM 0 HA SER A 61 7.782 7.739 -3.535 1.00 1.75 H new ATOM 0 HB2 SER A 61 10.227 8.737 -3.497 1.00 2.45 H new ATOM 0 HB3 SER A 61 9.877 9.229 -5.143 1.00 2.45 H new ATOM 0 HG SER A 61 9.304 10.860 -3.598 1.00 3.07 H new ATOM 883 N THR A 62 7.579 9.071 -6.157 1.00 1.19 N ATOM 884 CA THR A 62 6.827 9.337 -7.383 1.00 1.51 C ATOM 885 C THR A 62 5.337 9.444 -7.094 1.00 1.17 C ATOM 886 O THR A 62 4.821 10.531 -6.833 1.00 1.76 O ATOM 887 CB THR A 62 7.107 8.270 -8.456 1.00 2.24 C ATOM 888 OG1 THR A 62 8.498 8.159 -8.697 1.00 2.63 O ATOM 889 CG2 THR A 62 6.437 8.567 -9.780 1.00 3.17 C ATOM 0 H THR A 62 7.997 9.902 -5.739 1.00 1.19 H new ATOM 0 HA THR A 62 7.164 10.296 -7.777 1.00 1.51 H new ATOM 0 HB THR A 62 6.698 7.342 -8.058 1.00 2.24 H new ATOM 0 HG1 THR A 62 8.658 7.475 -9.380 1.00 2.63 H new ATOM 0 HG21 THR A 62 6.674 7.777 -10.493 1.00 3.17 H new ATOM 0 HG22 THR A 62 5.357 8.616 -9.638 1.00 3.17 H new ATOM 0 HG23 THR A 62 6.796 9.522 -10.164 1.00 3.17 H new ATOM 897 N ASP A 63 4.658 8.319 -7.141 1.00 1.15 N ATOM 898 CA ASP A 63 3.222 8.274 -6.883 1.00 1.03 C ATOM 899 C ASP A 63 2.646 6.879 -7.115 1.00 1.09 C ATOM 900 O ASP A 63 2.967 6.213 -8.099 1.00 1.65 O ATOM 901 CB ASP A 63 2.491 9.281 -7.773 1.00 1.37 C ATOM 902 CG ASP A 63 2.925 9.195 -9.224 1.00 1.72 C ATOM 903 OD1 ASP A 63 3.643 8.235 -9.574 1.00 2.35 O ATOM 904 OD2 ASP A 63 2.544 10.088 -10.009 1.00 2.19 O ATOM 0 H ASP A 63 5.074 7.413 -7.356 1.00 1.15 H new ATOM 0 HA ASP A 63 3.074 8.533 -5.835 1.00 1.03 H new ATOM 0 HB2 ASP A 63 1.417 9.107 -7.707 1.00 1.37 H new ATOM 0 HB3 ASP A 63 2.674 10.289 -7.401 1.00 1.37 H new ATOM 909 N LYS A 64 1.779 6.457 -6.197 1.00 0.90 N ATOM 910 CA LYS A 64 1.119 5.152 -6.277 1.00 0.95 C ATOM 911 C LYS A 64 2.093 4.041 -6.666 1.00 0.92 C ATOM 912 O LYS A 64 1.838 3.284 -7.604 1.00 1.04 O ATOM 913 CB LYS A 64 -0.031 5.205 -7.288 1.00 1.17 C ATOM 914 CG LYS A 64 -1.264 4.434 -6.849 1.00 1.41 C ATOM 915 CD LYS A 64 -2.413 4.619 -7.827 1.00 1.82 C ATOM 916 CE LYS A 64 -3.657 3.871 -7.374 1.00 2.05 C ATOM 917 NZ LYS A 64 -4.420 4.634 -6.349 1.00 2.31 N ATOM 0 H LYS A 64 1.514 7.006 -5.379 1.00 0.90 H new ATOM 0 HA LYS A 64 0.730 4.923 -5.285 1.00 0.95 H new ATOM 0 HB2 LYS A 64 -0.306 6.246 -7.459 1.00 1.17 H new ATOM 0 HB3 LYS A 64 0.316 4.806 -8.241 1.00 1.17 H new ATOM 0 HG2 LYS A 64 -1.022 3.374 -6.766 1.00 1.41 H new ATOM 0 HG3 LYS A 64 -1.570 4.769 -5.858 1.00 1.41 H new ATOM 0 HD2 LYS A 64 -2.641 5.680 -7.925 1.00 1.82 H new ATOM 0 HD3 LYS A 64 -2.113 4.265 -8.813 1.00 1.82 H new ATOM 0 HE2 LYS A 64 -4.298 3.677 -8.234 1.00 2.05 H new ATOM 0 HE3 LYS A 64 -3.370 2.902 -6.966 1.00 2.05 H new ATOM 0 HZ1 LYS A 64 -5.260 4.091 -6.066 1.00 2.31 H new ATOM 0 HZ2 LYS A 64 -3.817 4.797 -5.517 1.00 2.31 H new ATOM 0 HZ3 LYS A 64 -4.716 5.548 -6.746 1.00 2.31 H new ATOM 931 N CYS A 65 3.201 3.939 -5.945 1.00 0.87 N ATOM 932 CA CYS A 65 4.190 2.906 -6.234 1.00 0.95 C ATOM 933 C CYS A 65 4.042 1.708 -5.294 1.00 0.99 C ATOM 934 O CYS A 65 4.863 0.791 -5.317 1.00 1.20 O ATOM 935 CB CYS A 65 5.608 3.470 -6.130 1.00 1.07 C ATOM 936 SG CYS A 65 6.900 2.316 -6.700 1.00 1.10 S ATOM 0 H CYS A 65 3.438 4.551 -5.164 1.00 0.87 H new ATOM 0 HA CYS A 65 4.013 2.566 -7.254 1.00 0.95 H new ATOM 0 HB2 CYS A 65 5.668 4.387 -6.716 1.00 1.07 H new ATOM 0 HB3 CYS A 65 5.807 3.740 -5.093 1.00 1.07 H new ATOM 941 N ASN A 66 2.997 1.712 -4.467 1.00 0.97 N ATOM 942 CA ASN A 66 2.775 0.614 -3.533 1.00 1.10 C ATOM 943 C ASN A 66 1.410 -0.068 -3.717 1.00 1.10 C ATOM 944 O ASN A 66 0.881 -0.638 -2.764 1.00 1.36 O ATOM 945 CB ASN A 66 2.900 1.119 -2.095 1.00 1.36 C ATOM 946 CG ASN A 66 2.072 2.364 -1.843 1.00 1.42 C ATOM 947 OD1 ASN A 66 1.608 3.018 -2.778 1.00 2.26 O ATOM 948 ND2 ASN A 66 1.881 2.701 -0.572 1.00 1.30 N ATOM 0 H ASN A 66 2.299 2.455 -4.426 1.00 0.97 H new ATOM 0 HA ASN A 66 3.540 -0.133 -3.744 1.00 1.10 H new ATOM 0 HB2 ASN A 66 2.586 0.333 -1.409 1.00 1.36 H new ATOM 0 HB3 ASN A 66 3.947 1.332 -1.878 1.00 1.36 H new ATOM 0 HD21 ASN A 66 1.332 3.529 -0.341 1.00 1.30 H new ATOM 0 HD22 ASN A 66 2.283 2.132 0.173 1.00 1.30 H new ATOM 955 N PRO A 67 0.814 -0.043 -4.930 1.00 1.16 N ATOM 956 CA PRO A 67 -0.481 -0.689 -5.166 1.00 1.40 C ATOM 957 C PRO A 67 -0.528 -2.109 -4.609 1.00 1.32 C ATOM 958 O PRO A 67 -1.281 -2.389 -3.677 1.00 2.15 O ATOM 959 CB PRO A 67 -0.604 -0.711 -6.690 1.00 1.82 C ATOM 960 CG PRO A 67 0.237 0.423 -7.163 1.00 1.96 C ATOM 961 CD PRO A 67 1.341 0.595 -6.152 1.00 1.39 C ATOM 0 HA PRO A 67 -1.294 -0.158 -4.670 1.00 1.40 H new ATOM 0 HB2 PRO A 67 -0.255 -1.659 -7.100 1.00 1.82 H new ATOM 0 HB3 PRO A 67 -1.641 -0.591 -7.004 1.00 1.82 H new ATOM 0 HG2 PRO A 67 0.647 0.215 -8.151 1.00 1.96 H new ATOM 0 HG3 PRO A 67 -0.355 1.334 -7.248 1.00 1.96 H new ATOM 0 HD2 PRO A 67 2.263 0.118 -6.484 1.00 1.39 H new ATOM 0 HD3 PRO A 67 1.568 1.648 -5.985 1.00 1.39 H new ATOM 969 N HIS A 68 0.285 -2.994 -5.201 1.00 1.17 N ATOM 970 CA HIS A 68 0.381 -4.408 -4.802 1.00 1.35 C ATOM 971 C HIS A 68 -0.333 -5.330 -5.799 1.00 1.64 C ATOM 972 O HIS A 68 0.289 -6.236 -6.352 1.00 1.88 O ATOM 973 CB HIS A 68 -0.142 -4.652 -3.380 1.00 1.54 C ATOM 974 CG HIS A 68 0.535 -5.796 -2.689 1.00 1.41 C ATOM 975 ND1 HIS A 68 1.139 -6.834 -3.366 1.00 1.87 N ATOM 976 CD2 HIS A 68 0.705 -6.060 -1.371 1.00 1.36 C ATOM 977 CE1 HIS A 68 1.651 -7.685 -2.496 1.00 2.07 C ATOM 978 NE2 HIS A 68 1.403 -7.241 -1.279 1.00 1.71 N ATOM 0 H HIS A 68 0.900 -2.749 -5.977 1.00 1.17 H new ATOM 0 HA HIS A 68 1.443 -4.652 -4.809 1.00 1.35 H new ATOM 0 HB2 HIS A 68 -0.004 -3.747 -2.789 1.00 1.54 H new ATOM 0 HB3 HIS A 68 -1.214 -4.845 -3.422 1.00 1.54 H new ATOM 0 HD1 HIS A 68 1.183 -6.930 -4.381 1.00 1.87 H new ATOM 0 HD2 HIS A 68 0.357 -5.455 -0.546 1.00 1.36 H new ATOM 0 HE1 HIS A 68 2.184 -8.592 -2.740 1.00 2.07 H new ATOM 987 N PRO A 69 -1.644 -5.128 -6.048 1.00 2.29 N ATOM 988 CA PRO A 69 -2.399 -5.962 -6.978 1.00 2.71 C ATOM 989 C PRO A 69 -2.367 -5.421 -8.404 1.00 2.34 C ATOM 990 O PRO A 69 -3.329 -4.806 -8.866 1.00 3.02 O ATOM 991 CB PRO A 69 -3.809 -5.880 -6.406 1.00 3.76 C ATOM 992 CG PRO A 69 -3.903 -4.492 -5.864 1.00 4.04 C ATOM 993 CD PRO A 69 -2.505 -4.088 -5.452 1.00 3.10 C ATOM 0 HA PRO A 69 -2.000 -6.973 -7.058 1.00 2.71 H new ATOM 0 HB2 PRO A 69 -4.562 -6.060 -7.174 1.00 3.76 H new ATOM 0 HB3 PRO A 69 -3.966 -6.624 -5.625 1.00 3.76 H new ATOM 0 HG2 PRO A 69 -4.297 -3.809 -6.617 1.00 4.04 H new ATOM 0 HG3 PRO A 69 -4.583 -4.455 -5.013 1.00 4.04 H new ATOM 0 HD2 PRO A 69 -2.250 -3.096 -5.825 1.00 3.10 H new ATOM 0 HD3 PRO A 69 -2.401 -4.057 -4.367 1.00 3.10 H new ATOM 1001 N LYS A 70 -1.258 -5.652 -9.099 1.00 2.00 N ATOM 1002 CA LYS A 70 -1.107 -5.184 -10.473 1.00 2.33 C ATOM 1003 C LYS A 70 -1.338 -6.321 -11.466 1.00 2.26 C ATOM 1004 O LYS A 70 -0.662 -6.410 -12.491 1.00 2.99 O ATOM 1005 CB LYS A 70 0.284 -4.582 -10.680 1.00 3.09 C ATOM 1006 CG LYS A 70 0.351 -3.092 -10.383 1.00 3.73 C ATOM 1007 CD LYS A 70 0.235 -2.263 -11.652 1.00 4.47 C ATOM 1008 CE LYS A 70 1.018 -0.964 -11.544 1.00 5.07 C ATOM 1009 NZ LYS A 70 2.421 -1.196 -11.100 1.00 5.67 N ATOM 0 H LYS A 70 -0.452 -6.159 -8.735 1.00 2.00 H new ATOM 0 HA LYS A 70 -1.857 -4.414 -10.652 1.00 2.33 H new ATOM 0 HB2 LYS A 70 0.996 -5.104 -10.041 1.00 3.09 H new ATOM 0 HB3 LYS A 70 0.596 -4.753 -11.710 1.00 3.09 H new ATOM 0 HG2 LYS A 70 -0.451 -2.821 -9.696 1.00 3.73 H new ATOM 0 HG3 LYS A 70 1.291 -2.862 -9.882 1.00 3.73 H new ATOM 0 HD2 LYS A 70 0.603 -2.841 -12.500 1.00 4.47 H new ATOM 0 HD3 LYS A 70 -0.814 -2.041 -11.848 1.00 4.47 H new ATOM 0 HE2 LYS A 70 1.022 -0.461 -12.511 1.00 5.07 H new ATOM 0 HE3 LYS A 70 0.520 -0.297 -10.840 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 3.023 -0.415 -11.430 1.00 5.67 H new ATOM 0 HZ2 LYS A 70 2.453 -1.243 -10.062 1.00 5.67 H new ATOM 0 HZ3 LYS A 70 2.767 -2.092 -11.498 1.00 5.67 H new ATOM 1023 N GLN A 71 -2.299 -7.186 -11.157 1.00 2.06 N ATOM 1024 CA GLN A 71 -2.620 -8.314 -12.023 1.00 2.50 C ATOM 1025 C GLN A 71 -3.591 -7.894 -13.123 1.00 1.86 C ATOM 1026 O GLN A 71 -4.697 -7.431 -12.843 1.00 2.31 O ATOM 1027 CB GLN A 71 -3.225 -9.458 -11.207 1.00 3.57 C ATOM 1028 CG GLN A 71 -2.263 -10.056 -10.193 1.00 4.33 C ATOM 1029 CD GLN A 71 -2.538 -11.524 -9.922 1.00 5.35 C ATOM 1030 OE1 GLN A 71 -1.626 -12.349 -9.928 1.00 5.85 O ATOM 1031 NE2 GLN A 71 -3.802 -11.855 -9.684 1.00 6.01 N ATOM 0 H GLN A 71 -2.869 -7.127 -10.313 1.00 2.06 H new ATOM 0 HA GLN A 71 -1.695 -8.657 -12.486 1.00 2.50 H new ATOM 0 HB2 GLN A 71 -4.110 -9.093 -10.685 1.00 3.57 H new ATOM 0 HB3 GLN A 71 -3.557 -10.242 -11.887 1.00 3.57 H new ATOM 0 HG2 GLN A 71 -1.242 -9.943 -10.556 1.00 4.33 H new ATOM 0 HG3 GLN A 71 -2.333 -9.499 -9.259 1.00 4.33 H new ATOM 0 HE21 GLN A 71 -4.527 -11.137 -9.689 1.00 6.01 H new ATOM 0 HE22 GLN A 71 -4.048 -12.827 -9.496 1.00 6.01 H new ATOM 1040 N ARG A 72 -3.171 -8.056 -14.373 1.00 1.67 N ATOM 1041 CA ARG A 72 -4.006 -7.692 -15.511 1.00 1.59 C ATOM 1042 C ARG A 72 -4.679 -8.926 -16.110 1.00 1.44 C ATOM 1043 O ARG A 72 -4.078 -9.998 -16.177 1.00 1.86 O ATOM 1044 CB ARG A 72 -3.172 -6.983 -16.579 1.00 2.48 C ATOM 1045 CG ARG A 72 -4.002 -6.169 -17.557 1.00 3.28 C ATOM 1046 CD ARG A 72 -3.157 -5.134 -18.281 1.00 4.14 C ATOM 1047 NE ARG A 72 -2.682 -5.620 -19.574 1.00 4.72 N ATOM 1048 CZ ARG A 72 -1.692 -5.057 -20.261 1.00 5.47 C ATOM 1049 NH1 ARG A 72 -1.069 -3.986 -19.782 1.00 5.75 N ATOM 1050 NH2 ARG A 72 -1.322 -5.564 -21.428 1.00 6.26 N ATOM 0 H ARG A 72 -2.258 -8.437 -14.623 1.00 1.67 H new ATOM 0 HA ARG A 72 -4.781 -7.013 -15.157 1.00 1.59 H new ATOM 0 HB2 ARG A 72 -2.454 -6.325 -16.090 1.00 2.48 H new ATOM 0 HB3 ARG A 72 -2.598 -7.726 -17.133 1.00 2.48 H new ATOM 0 HG2 ARG A 72 -4.465 -6.835 -18.285 1.00 3.28 H new ATOM 0 HG3 ARG A 72 -4.810 -5.670 -17.022 1.00 3.28 H new ATOM 0 HD2 ARG A 72 -3.743 -4.227 -18.428 1.00 4.14 H new ATOM 0 HD3 ARG A 72 -2.303 -4.865 -17.659 1.00 4.14 H new ATOM 0 HE ARG A 72 -3.137 -6.441 -19.974 1.00 4.72 H new ATOM 0 HH11 ARG A 72 -1.349 -3.592 -18.884 1.00 5.75 H new ATOM 0 HH12 ARG A 72 -0.310 -3.558 -20.312 1.00 5.75 H new ATOM 0 HH21 ARG A 72 -1.797 -6.387 -21.800 1.00 6.26 H new ATOM 0 HH22 ARG A 72 -0.563 -5.132 -21.954 1.00 6.26 H new ATOM 1064 N PRO A 73 -5.940 -8.790 -16.558 1.00 2.17 N ATOM 1065 CA PRO A 73 -6.689 -9.901 -17.154 1.00 2.96 C ATOM 1066 C PRO A 73 -5.918 -10.576 -18.284 1.00 2.97 C ATOM 1067 O PRO A 73 -5.421 -9.912 -19.193 1.00 3.20 O ATOM 1068 CB PRO A 73 -7.955 -9.232 -17.695 1.00 4.03 C ATOM 1069 CG PRO A 73 -8.121 -8.006 -16.869 1.00 4.11 C ATOM 1070 CD PRO A 73 -6.734 -7.547 -16.519 1.00 3.05 C ATOM 0 HA PRO A 73 -6.888 -10.692 -16.431 1.00 2.96 H new ATOM 0 HB2 PRO A 73 -7.851 -8.986 -18.752 1.00 4.03 H new ATOM 0 HB3 PRO A 73 -8.819 -9.890 -17.604 1.00 4.03 H new ATOM 0 HG2 PRO A 73 -8.659 -7.235 -17.420 1.00 4.11 H new ATOM 0 HG3 PRO A 73 -8.700 -8.218 -15.970 1.00 4.11 H new ATOM 0 HD2 PRO A 73 -6.363 -6.811 -17.232 1.00 3.05 H new ATOM 0 HD3 PRO A 73 -6.702 -7.081 -15.534 1.00 3.05 H new ATOM 1078 N GLY A 74 -5.824 -11.901 -18.220 1.00 3.36 N ATOM 1079 CA GLY A 74 -5.112 -12.642 -19.244 1.00 3.85 C ATOM 1080 C GLY A 74 -3.658 -12.874 -18.887 1.00 4.53 C ATOM 1081 O GLY A 74 -2.880 -11.897 -18.897 1.00 5.10 O ATOM 1082 OXT GLY A 74 -3.295 -14.035 -18.598 1.00 4.92 O ATOM 0 H GLY A 74 -6.228 -12.473 -17.478 1.00 3.36 H new ATOM 0 HA2 GLY A 74 -5.602 -13.603 -19.400 1.00 3.85 H new ATOM 0 HA3 GLY A 74 -5.169 -12.099 -20.187 1.00 3.85 H new TER 1086 GLY A 74 ATOM 1087 N ILE B 178 -8.382 -20.822 22.374 1.00 3.07 N ATOM 1088 CA ILE B 178 -8.882 -19.561 22.982 1.00 2.53 C ATOM 1089 C ILE B 178 -8.233 -18.343 22.327 1.00 2.20 C ATOM 1090 O ILE B 178 -7.149 -17.915 22.726 1.00 2.61 O ATOM 1091 CB ILE B 178 -8.613 -19.531 24.503 1.00 2.64 C ATOM 1092 CG1 ILE B 178 -9.186 -18.254 25.126 1.00 3.03 C ATOM 1093 CG2 ILE B 178 -7.123 -19.647 24.784 1.00 3.47 C ATOM 1094 CD1 ILE B 178 -10.422 -18.493 25.964 1.00 3.49 C ATOM 0 HA ILE B 178 -9.958 -19.525 22.813 1.00 2.53 H new ATOM 0 HB ILE B 178 -9.113 -20.386 24.958 1.00 2.64 H new ATOM 0 HG12 ILE B 178 -8.421 -17.787 25.746 1.00 3.03 H new ATOM 0 HG13 ILE B 178 -9.427 -17.548 24.331 1.00 3.03 H new ATOM 0 HG21 ILE B 178 -6.953 -19.624 25.860 1.00 3.47 H new ATOM 0 HG22 ILE B 178 -6.748 -20.586 24.377 1.00 3.47 H new ATOM 0 HG23 ILE B 178 -6.599 -18.814 24.316 1.00 3.47 H new ATOM 0 HD11 ILE B 178 -10.773 -17.546 26.373 1.00 3.49 H new ATOM 0 HD12 ILE B 178 -11.203 -18.932 25.343 1.00 3.49 H new ATOM 0 HD13 ILE B 178 -10.182 -19.174 26.780 1.00 3.49 H new ATOM 1108 N PRO B 179 -8.890 -17.763 21.306 1.00 2.20 N ATOM 1109 CA PRO B 179 -8.370 -16.589 20.597 1.00 2.43 C ATOM 1110 C PRO B 179 -7.976 -15.464 21.547 1.00 2.12 C ATOM 1111 O PRO B 179 -8.786 -15.008 22.354 1.00 2.52 O ATOM 1112 CB PRO B 179 -9.543 -16.158 19.715 1.00 3.31 C ATOM 1113 CG PRO B 179 -10.331 -17.402 19.500 1.00 3.56 C ATOM 1114 CD PRO B 179 -10.188 -18.207 20.762 1.00 2.87 C ATOM 0 HA PRO B 179 -7.462 -16.820 20.039 1.00 2.43 H new ATOM 0 HB2 PRO B 179 -10.143 -15.389 20.202 1.00 3.31 H new ATOM 0 HB3 PRO B 179 -9.195 -15.741 18.770 1.00 3.31 H new ATOM 0 HG2 PRO B 179 -11.378 -17.171 19.301 1.00 3.56 H new ATOM 0 HG3 PRO B 179 -9.957 -17.957 18.639 1.00 3.56 H new ATOM 0 HD2 PRO B 179 -11.004 -18.011 21.458 1.00 2.87 H new ATOM 0 HD3 PRO B 179 -10.193 -19.278 20.558 1.00 2.87 H new ATOM 1122 N GLY B 180 -6.728 -15.019 21.445 1.00 2.20 N ATOM 1123 CA GLY B 180 -6.251 -13.948 22.298 1.00 2.49 C ATOM 1124 C GLY B 180 -5.202 -13.085 21.621 1.00 2.05 C ATOM 1125 O GLY B 180 -4.436 -12.392 22.289 1.00 2.79 O ATOM 0 H GLY B 180 -6.039 -15.382 20.786 1.00 2.20 H new ATOM 0 HA2 GLY B 180 -7.093 -13.323 22.596 1.00 2.49 H new ATOM 0 HA3 GLY B 180 -5.832 -14.374 23.210 1.00 2.49 H new ATOM 1129 N LYS B 181 -5.169 -13.127 20.292 1.00 1.68 N ATOM 1130 CA LYS B 181 -4.208 -12.341 19.526 1.00 2.16 C ATOM 1131 C LYS B 181 -4.698 -12.123 18.098 1.00 1.86 C ATOM 1132 O LYS B 181 -4.350 -12.876 17.190 1.00 2.39 O ATOM 1133 CB LYS B 181 -2.846 -13.039 19.507 1.00 3.11 C ATOM 1134 CG LYS B 181 -2.250 -13.252 20.890 1.00 3.99 C ATOM 1135 CD LYS B 181 -0.836 -13.804 20.809 1.00 4.80 C ATOM 1136 CE LYS B 181 -0.223 -13.978 22.190 1.00 5.59 C ATOM 1137 NZ LYS B 181 0.832 -12.963 22.462 1.00 6.37 N ATOM 0 H LYS B 181 -5.796 -13.697 19.724 1.00 1.68 H new ATOM 0 HA LYS B 181 -4.105 -11.369 20.009 1.00 2.16 H new ATOM 0 HB2 LYS B 181 -2.949 -14.005 19.013 1.00 3.11 H new ATOM 0 HB3 LYS B 181 -2.153 -12.448 18.909 1.00 3.11 H new ATOM 0 HG2 LYS B 181 -2.242 -12.307 21.433 1.00 3.99 H new ATOM 0 HG3 LYS B 181 -2.878 -13.940 21.456 1.00 3.99 H new ATOM 0 HD2 LYS B 181 -0.848 -14.764 20.292 1.00 4.80 H new ATOM 0 HD3 LYS B 181 -0.216 -13.131 20.217 1.00 4.80 H new ATOM 0 HE2 LYS B 181 -1.004 -13.901 22.946 1.00 5.59 H new ATOM 0 HE3 LYS B 181 0.204 -14.977 22.274 1.00 5.59 H new ATOM 0 HZ1 LYS B 181 1.224 -13.116 23.413 1.00 6.37 H new ATOM 0 HZ2 LYS B 181 1.590 -13.053 21.756 1.00 6.37 H new ATOM 0 HZ3 LYS B 181 0.419 -12.010 22.407 1.00 6.37 H new ATOM 1151 N ARG B 182 -5.511 -11.087 17.908 1.00 1.81 N ATOM 1152 CA ARG B 182 -6.052 -10.772 16.590 1.00 1.93 C ATOM 1153 C ARG B 182 -5.691 -9.348 16.177 1.00 1.94 C ATOM 1154 O ARG B 182 -6.521 -8.616 15.635 1.00 2.65 O ATOM 1155 CB ARG B 182 -7.571 -10.951 16.584 1.00 2.78 C ATOM 1156 CG ARG B 182 -8.024 -12.345 16.990 1.00 3.51 C ATOM 1157 CD ARG B 182 -7.337 -13.420 16.161 1.00 4.27 C ATOM 1158 NE ARG B 182 -8.155 -14.623 16.041 1.00 4.96 N ATOM 1159 CZ ARG B 182 -7.674 -15.814 15.688 1.00 5.70 C ATOM 1160 NH1 ARG B 182 -6.383 -15.964 15.425 1.00 5.93 N ATOM 1161 NH2 ARG B 182 -8.488 -16.858 15.600 1.00 6.51 N ATOM 0 H ARG B 182 -5.809 -10.453 18.649 1.00 1.81 H new ATOM 0 HA ARG B 182 -5.610 -11.460 15.869 1.00 1.93 H new ATOM 0 HB2 ARG B 182 -8.017 -10.222 17.261 1.00 2.78 H new ATOM 0 HB3 ARG B 182 -7.950 -10.732 15.586 1.00 2.78 H new ATOM 0 HG2 ARG B 182 -7.808 -12.505 18.046 1.00 3.51 H new ATOM 0 HG3 ARG B 182 -9.104 -12.427 16.870 1.00 3.51 H new ATOM 0 HD2 ARG B 182 -7.120 -13.028 15.167 1.00 4.27 H new ATOM 0 HD3 ARG B 182 -6.381 -13.675 16.619 1.00 4.27 H new ATOM 0 HE ARG B 182 -9.153 -14.547 16.239 1.00 4.96 H new ATOM 0 HH11 ARG B 182 -5.753 -15.165 15.493 1.00 5.93 H new ATOM 0 HH12 ARG B 182 -6.020 -16.878 15.155 1.00 5.93 H new ATOM 0 HH21 ARG B 182 -9.482 -16.748 15.803 1.00 6.51 H new ATOM 0 HH22 ARG B 182 -8.120 -17.770 15.330 1.00 6.51 H new ATOM 1175 N THR B 183 -4.446 -8.963 16.433 1.00 2.03 N ATOM 1176 CA THR B 183 -3.966 -7.630 16.088 1.00 2.67 C ATOM 1177 C THR B 183 -2.443 -7.611 16.029 1.00 2.51 C ATOM 1178 O THR B 183 -1.784 -7.045 16.902 1.00 3.25 O ATOM 1179 CB THR B 183 -4.463 -6.606 17.109 1.00 3.75 C ATOM 1180 OG1 THR B 183 -5.877 -6.630 17.195 1.00 4.22 O ATOM 1181 CG2 THR B 183 -4.046 -5.189 16.782 1.00 4.70 C ATOM 0 H THR B 183 -3.748 -9.558 16.880 1.00 2.03 H new ATOM 0 HA THR B 183 -4.358 -7.367 15.105 1.00 2.67 H new ATOM 0 HB THR B 183 -4.006 -6.894 18.056 1.00 3.75 H new ATOM 0 HG1 THR B 183 -6.246 -7.069 16.400 1.00 4.22 H new ATOM 0 HG21 THR B 183 -4.430 -4.512 17.545 1.00 4.70 H new ATOM 0 HG22 THR B 183 -2.958 -5.127 16.756 1.00 4.70 H new ATOM 0 HG23 THR B 183 -4.449 -4.906 15.809 1.00 4.70 H new ATOM 1189 N GLU B 184 -1.888 -8.246 15.003 1.00 2.17 N ATOM 1190 CA GLU B 184 -0.442 -8.311 14.840 1.00 2.63 C ATOM 1191 C GLU B 184 0.036 -7.429 13.689 1.00 1.99 C ATOM 1192 O GLU B 184 0.646 -6.385 13.916 1.00 2.48 O ATOM 1193 CB GLU B 184 -0.006 -9.760 14.623 1.00 3.66 C ATOM 1194 CG GLU B 184 -0.476 -10.697 15.726 1.00 4.47 C ATOM 1195 CD GLU B 184 0.664 -11.221 16.580 1.00 5.39 C ATOM 1196 OE1 GLU B 184 1.817 -11.218 16.099 1.00 5.91 O ATOM 1197 OE2 GLU B 184 0.404 -11.633 17.729 1.00 5.92 O ATOM 0 H GLU B 184 -2.417 -8.722 14.273 1.00 2.17 H new ATOM 0 HA GLU B 184 0.017 -7.932 15.753 1.00 2.63 H new ATOM 0 HB2 GLU B 184 -0.394 -10.111 13.667 1.00 3.66 H new ATOM 0 HB3 GLU B 184 1.081 -9.800 14.559 1.00 3.66 H new ATOM 0 HG2 GLU B 184 -1.189 -10.173 16.362 1.00 4.47 H new ATOM 0 HG3 GLU B 184 -1.006 -11.539 15.280 1.00 4.47 H new ATOM 1204 N SER B 185 -0.235 -7.845 12.452 1.00 1.62 N ATOM 1205 CA SER B 185 0.188 -7.064 11.293 1.00 1.32 C ATOM 1206 C SER B 185 -0.568 -7.480 10.035 1.00 1.14 C ATOM 1207 O SER B 185 -1.503 -8.277 10.095 1.00 1.33 O ATOM 1208 CB SER B 185 1.695 -7.216 11.074 1.00 1.85 C ATOM 1209 OG SER B 185 2.397 -6.094 11.579 1.00 2.53 O ATOM 0 H SER B 185 -0.737 -8.704 12.230 1.00 1.62 H new ATOM 0 HA SER B 185 -0.042 -6.018 11.494 1.00 1.32 H new ATOM 0 HB2 SER B 185 2.048 -8.122 11.566 1.00 1.85 H new ATOM 0 HB3 SER B 185 1.902 -7.330 10.010 1.00 1.85 H new ATOM 0 HG SER B 185 3.216 -5.959 11.058 1.00 2.53 H new ATOM 1215 N PHE B 186 -0.154 -6.932 8.897 1.00 0.93 N ATOM 1216 CA PHE B 186 -0.789 -7.247 7.625 1.00 0.80 C ATOM 1217 C PHE B 186 0.131 -8.077 6.752 1.00 0.66 C ATOM 1218 O PHE B 186 1.330 -8.165 7.009 1.00 0.75 O ATOM 1219 CB PHE B 186 -1.171 -5.974 6.877 1.00 0.92 C ATOM 1220 CG PHE B 186 -2.100 -6.223 5.721 1.00 0.83 C ATOM 1221 CD1 PHE B 186 -3.237 -7.000 5.887 1.00 1.48 C ATOM 1222 CD2 PHE B 186 -1.850 -5.669 4.470 1.00 1.35 C ATOM 1223 CE1 PHE B 186 -4.101 -7.210 4.847 1.00 1.51 C ATOM 1224 CE2 PHE B 186 -2.715 -5.889 3.429 1.00 1.33 C ATOM 1225 CZ PHE B 186 -3.837 -6.651 3.623 1.00 0.85 C ATOM 0 H PHE B 186 0.618 -6.268 8.831 1.00 0.93 H new ATOM 0 HA PHE B 186 -1.690 -7.819 7.844 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -1.644 -5.280 7.572 1.00 0.92 H new ATOM 0 HB3 PHE B 186 -0.266 -5.490 6.510 1.00 0.92 H new ATOM 0 HD1 PHE B 186 -3.443 -7.445 6.849 1.00 1.48 H new ATOM 0 HD2 PHE B 186 -0.970 -5.062 4.318 1.00 1.35 H new ATOM 0 HE1 PHE B 186 -4.986 -7.813 4.989 1.00 1.51 H new ATOM 0 HE2 PHE B 186 -2.512 -5.462 2.458 1.00 1.33 H new ATOM 0 HZ PHE B 186 -4.521 -6.813 2.803 1.00 0.85 H new ATOM 1235 N TYR B 187 -0.437 -8.673 5.713 1.00 0.91 N ATOM 1236 CA TYR B 187 0.328 -9.486 4.798 1.00 1.05 C ATOM 1237 C TYR B 187 0.119 -9.010 3.360 1.00 1.22 C ATOM 1238 O TYR B 187 -0.036 -7.811 3.129 1.00 1.44 O ATOM 1239 CB TYR B 187 -0.024 -10.957 5.019 1.00 1.25 C ATOM 1240 CG TYR B 187 1.127 -11.776 5.576 1.00 1.52 C ATOM 1241 CD1 TYR B 187 2.035 -11.230 6.482 1.00 2.06 C ATOM 1242 CD2 TYR B 187 1.300 -13.102 5.207 1.00 2.13 C ATOM 1243 CE1 TYR B 187 3.071 -11.984 6.988 1.00 2.50 C ATOM 1244 CE2 TYR B 187 2.330 -13.861 5.717 1.00 2.51 C ATOM 1245 CZ TYR B 187 3.214 -13.298 6.605 1.00 2.47 C ATOM 1246 OH TYR B 187 4.237 -14.053 7.121 1.00 3.02 O ATOM 0 H TYR B 187 -1.430 -8.604 5.488 1.00 0.91 H new ATOM 0 HA TYR B 187 1.396 -9.382 4.991 1.00 1.05 H new ATOM 0 HB2 TYR B 187 -0.870 -11.021 5.703 1.00 1.25 H new ATOM 0 HB3 TYR B 187 -0.345 -11.392 4.073 1.00 1.25 H new ATOM 0 HD1 TYR B 187 1.925 -10.201 6.792 1.00 2.06 H new ATOM 0 HD2 TYR B 187 0.612 -13.549 4.505 1.00 2.13 H new ATOM 0 HE1 TYR B 187 3.770 -11.545 7.684 1.00 2.50 H new ATOM 0 HE2 TYR B 187 2.442 -14.893 5.420 1.00 2.51 H new ATOM 0 HH TYR B 187 4.604 -13.608 7.913 1.00 3.02 H new ATOM 1256 N GLU B 188 0.148 -9.915 2.393 1.00 1.44 N ATOM 1257 CA GLU B 188 0.006 -9.525 0.998 1.00 1.78 C ATOM 1258 C GLU B 188 -1.315 -8.828 0.722 1.00 1.81 C ATOM 1259 O GLU B 188 -1.426 -8.112 -0.274 1.00 2.15 O ATOM 1260 CB GLU B 188 0.162 -10.727 0.065 1.00 2.16 C ATOM 1261 CG GLU B 188 1.429 -10.686 -0.773 1.00 2.93 C ATOM 1262 CD GLU B 188 1.298 -11.467 -2.067 1.00 3.70 C ATOM 1263 OE1 GLU B 188 0.362 -12.288 -2.173 1.00 4.13 O ATOM 1264 OE2 GLU B 188 2.130 -11.258 -2.973 1.00 4.33 O ATOM 0 H GLU B 188 0.268 -10.916 2.546 1.00 1.44 H new ATOM 0 HA GLU B 188 0.807 -8.814 0.799 1.00 1.78 H new ATOM 0 HB2 GLU B 188 0.159 -11.641 0.659 1.00 2.16 H new ATOM 0 HB3 GLU B 188 -0.701 -10.776 -0.599 1.00 2.16 H new ATOM 0 HG2 GLU B 188 1.675 -9.649 -1.002 1.00 2.93 H new ATOM 0 HG3 GLU B 188 2.258 -11.090 -0.192 1.00 2.93 H new ATOM 1271 N CYS B 189 -2.320 -9.016 1.579 1.00 1.58 N ATOM 1272 CA CYS B 189 -3.606 -8.356 1.326 1.00 1.74 C ATOM 1273 C CYS B 189 -4.739 -8.790 2.208 1.00 1.77 C ATOM 1274 O CYS B 189 -5.756 -8.097 2.288 1.00 1.94 O ATOM 1275 CB CYS B 189 -4.118 -8.697 -0.082 1.00 2.02 C ATOM 1276 SG CYS B 189 -4.907 -10.375 -0.187 1.00 2.25 S ATOM 0 H CYS B 189 -2.278 -9.593 2.419 1.00 1.58 H new ATOM 0 HA CYS B 189 -3.374 -7.305 1.497 1.00 1.74 H new ATOM 0 HB2 CYS B 189 -4.841 -7.943 -0.391 1.00 2.02 H new ATOM 0 HB3 CYS B 189 -3.287 -8.649 -0.785 1.00 2.02 H new ATOM 1281 N CYS B 190 -4.676 -9.983 2.718 1.00 1.78 N ATOM 1282 CA CYS B 190 -5.845 -10.477 3.396 1.00 2.00 C ATOM 1283 C CYS B 190 -5.560 -11.391 4.577 1.00 2.10 C ATOM 1284 O CYS B 190 -6.439 -12.131 5.021 1.00 2.27 O ATOM 1285 CB CYS B 190 -6.687 -11.168 2.314 1.00 2.26 C ATOM 1286 SG CYS B 190 -6.762 -10.244 0.704 1.00 2.48 S ATOM 0 H CYS B 190 -3.872 -10.610 2.685 1.00 1.78 H new ATOM 0 HA CYS B 190 -6.374 -9.647 3.864 1.00 2.00 H new ATOM 0 HB2 CYS B 190 -6.279 -12.162 2.131 1.00 2.26 H new ATOM 0 HB3 CYS B 190 -7.701 -11.304 2.690 1.00 2.26 H new ATOM 1291 N LYS B 191 -4.360 -11.309 5.116 1.00 2.47 N ATOM 1292 CA LYS B 191 -4.010 -12.100 6.282 1.00 2.86 C ATOM 1293 C LYS B 191 -4.307 -11.295 7.532 1.00 2.35 C ATOM 1294 O LYS B 191 -3.398 -10.938 8.277 1.00 2.77 O ATOM 1295 CB LYS B 191 -2.541 -12.526 6.252 1.00 3.80 C ATOM 1296 CG LYS B 191 -2.329 -14.024 6.439 1.00 4.39 C ATOM 1297 CD LYS B 191 -3.066 -14.555 7.659 1.00 4.90 C ATOM 1298 CE LYS B 191 -2.901 -16.061 7.795 1.00 5.66 C ATOM 1299 NZ LYS B 191 -3.695 -16.804 6.776 1.00 6.10 N ATOM 0 H LYS B 191 -3.614 -10.707 4.769 1.00 2.47 H new ATOM 0 HA LYS B 191 -4.608 -13.011 6.280 1.00 2.86 H new ATOM 0 HB2 LYS B 191 -2.104 -12.223 5.300 1.00 3.80 H new ATOM 0 HB3 LYS B 191 -2.002 -11.992 7.035 1.00 3.80 H new ATOM 0 HG2 LYS B 191 -2.672 -14.553 5.550 1.00 4.39 H new ATOM 0 HG3 LYS B 191 -1.263 -14.230 6.541 1.00 4.39 H new ATOM 0 HD2 LYS B 191 -2.689 -14.064 8.556 1.00 4.90 H new ATOM 0 HD3 LYS B 191 -4.125 -14.309 7.582 1.00 4.90 H new ATOM 0 HE2 LYS B 191 -1.847 -16.321 7.694 1.00 5.66 H new ATOM 0 HE3 LYS B 191 -3.211 -16.371 8.793 1.00 5.66 H new ATOM 0 HZ1 LYS B 191 -3.622 -17.826 6.956 1.00 6.10 H new ATOM 0 HZ2 LYS B 191 -4.692 -16.513 6.833 1.00 6.10 H new ATOM 0 HZ3 LYS B 191 -3.326 -16.593 5.827 1.00 6.10 H new ATOM 1313 N GLU B 192 -5.582 -10.986 7.743 1.00 1.95 N ATOM 1314 CA GLU B 192 -5.997 -10.197 8.902 1.00 2.22 C ATOM 1315 C GLU B 192 -5.117 -10.500 10.115 1.00 1.81 C ATOM 1316 O GLU B 192 -4.612 -9.587 10.769 1.00 2.43 O ATOM 1317 CB GLU B 192 -7.466 -10.468 9.231 1.00 3.14 C ATOM 1318 CG GLU B 192 -8.397 -9.334 8.829 1.00 3.77 C ATOM 1319 CD GLU B 192 -9.043 -8.657 10.022 1.00 4.68 C ATOM 1320 OE1 GLU B 192 -9.225 -9.328 11.060 1.00 5.13 O ATOM 1321 OE2 GLU B 192 -9.368 -7.455 9.918 1.00 5.28 O ATOM 0 H GLU B 192 -6.346 -11.268 7.129 1.00 1.95 H new ATOM 0 HA GLU B 192 -5.881 -9.142 8.653 1.00 2.22 H new ATOM 0 HB2 GLU B 192 -7.780 -11.382 8.727 1.00 3.14 H new ATOM 0 HB3 GLU B 192 -7.564 -10.645 10.302 1.00 3.14 H new ATOM 0 HG2 GLU B 192 -7.837 -8.595 8.256 1.00 3.77 H new ATOM 0 HG3 GLU B 192 -9.175 -9.723 8.172 1.00 3.77 H new ATOM 1328 N PRO B 193 -4.931 -11.793 10.439 1.00 1.51 N ATOM 1329 CA PRO B 193 -4.132 -12.225 11.568 1.00 1.90 C ATOM 1330 C PRO B 193 -2.726 -12.700 11.184 1.00 1.60 C ATOM 1331 O PRO B 193 -2.123 -13.458 11.941 1.00 1.96 O ATOM 1332 CB PRO B 193 -4.958 -13.405 12.072 1.00 2.66 C ATOM 1333 CG PRO B 193 -5.547 -14.014 10.832 1.00 2.76 C ATOM 1334 CD PRO B 193 -5.508 -12.953 9.749 1.00 1.99 C ATOM 0 HA PRO B 193 -3.953 -11.422 12.283 1.00 1.90 H new ATOM 0 HB2 PRO B 193 -4.337 -14.122 12.609 1.00 2.66 H new ATOM 0 HB3 PRO B 193 -5.737 -13.078 12.761 1.00 2.66 H new ATOM 0 HG2 PRO B 193 -4.980 -14.894 10.529 1.00 2.76 H new ATOM 0 HG3 PRO B 193 -6.571 -14.341 11.013 1.00 2.76 H new ATOM 0 HD2 PRO B 193 -4.896 -13.264 8.902 1.00 1.99 H new ATOM 0 HD3 PRO B 193 -6.503 -12.737 9.361 1.00 1.99 H new ATOM 1342 N TYR B 194 -2.212 -12.264 10.014 1.00 1.23 N ATOM 1343 CA TYR B 194 -0.872 -12.653 9.530 1.00 1.39 C ATOM 1344 C TYR B 194 -0.304 -13.864 10.291 1.00 1.45 C ATOM 1345 O TYR B 194 -0.330 -14.980 9.772 1.00 1.96 O ATOM 1346 CB TYR B 194 0.073 -11.429 9.570 1.00 1.75 C ATOM 1347 CG TYR B 194 1.569 -11.719 9.680 1.00 1.52 C ATOM 1348 CD1 TYR B 194 2.107 -12.978 9.419 1.00 1.91 C ATOM 1349 CD2 TYR B 194 2.446 -10.712 10.073 1.00 2.04 C ATOM 1350 CE1 TYR B 194 3.460 -13.219 9.547 1.00 2.18 C ATOM 1351 CE2 TYR B 194 3.795 -10.950 10.206 1.00 2.43 C ATOM 1352 CZ TYR B 194 4.299 -12.203 9.945 1.00 2.27 C ATOM 1353 OH TYR B 194 5.647 -12.443 10.083 1.00 2.93 O ATOM 0 H TYR B 194 -2.711 -11.637 9.383 1.00 1.23 H new ATOM 0 HA TYR B 194 -0.961 -12.980 8.494 1.00 1.39 H new ATOM 0 HB2 TYR B 194 -0.094 -10.841 8.668 1.00 1.75 H new ATOM 0 HB3 TYR B 194 -0.215 -10.804 10.415 1.00 1.75 H new ATOM 0 HD1 TYR B 194 1.453 -13.780 9.111 1.00 1.91 H new ATOM 0 HD2 TYR B 194 2.060 -9.724 10.278 1.00 2.04 H new ATOM 0 HE1 TYR B 194 3.859 -14.200 9.336 1.00 2.18 H new ATOM 0 HE2 TYR B 194 4.457 -10.154 10.515 1.00 2.43 H new ATOM 0 HH TYR B 194 6.150 -11.644 9.821 1.00 2.93 H new ATOM 1363 N PRO B 195 0.211 -13.685 11.524 1.00 1.87 N ATOM 1364 CA PRO B 195 0.764 -14.798 12.302 1.00 2.22 C ATOM 1365 C PRO B 195 -0.242 -15.933 12.472 1.00 2.24 C ATOM 1366 O PRO B 195 -1.121 -15.872 13.332 1.00 2.85 O ATOM 1367 CB PRO B 195 1.099 -14.171 13.662 1.00 3.25 C ATOM 1368 CG PRO B 195 0.355 -12.881 13.690 1.00 3.64 C ATOM 1369 CD PRO B 195 0.290 -12.417 12.265 1.00 2.77 C ATOM 0 HA PRO B 195 1.627 -15.245 11.809 1.00 2.22 H new ATOM 0 HB2 PRO B 195 0.792 -14.821 14.482 1.00 3.25 H new ATOM 0 HB3 PRO B 195 2.172 -14.009 13.768 1.00 3.25 H new ATOM 0 HG2 PRO B 195 -0.644 -13.015 14.104 1.00 3.64 H new ATOM 0 HG3 PRO B 195 0.864 -12.149 14.317 1.00 3.64 H new ATOM 0 HD2 PRO B 195 -0.579 -11.785 12.083 1.00 2.77 H new ATOM 0 HD3 PRO B 195 1.170 -11.837 11.986 1.00 2.77 H new ATOM 1377 N ASP B 196 -0.107 -16.966 11.645 1.00 2.52 N ATOM 1378 CA ASP B 196 -1.006 -18.118 11.698 1.00 3.36 C ATOM 1379 C ASP B 196 -2.413 -17.732 11.254 1.00 4.02 C ATOM 1380 O ASP B 196 -2.626 -16.545 10.927 1.00 4.44 O ATOM 1381 CB ASP B 196 -1.044 -18.702 13.114 1.00 3.87 C ATOM 1382 CG ASP B 196 -0.288 -20.011 13.221 1.00 4.51 C ATOM 1383 OD1 ASP B 196 0.910 -20.035 12.869 1.00 5.03 O ATOM 1384 OD2 ASP B 196 -0.894 -21.013 13.657 1.00 4.88 O ATOM 0 H ASP B 196 0.617 -17.030 10.929 1.00 2.52 H new ATOM 0 HA ASP B 196 -0.624 -18.875 11.013 1.00 3.36 H new ATOM 0 HB2 ASP B 196 -0.618 -17.982 13.812 1.00 3.87 H new ATOM 0 HB3 ASP B 196 -2.081 -18.859 13.411 1.00 3.87 H new TER 1389 ASP B 196