USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ 143:sc= -0.047 (180deg=-0.36) USER MOD Single : A 6 THR OG1 : rot 176:sc= 0.0019 USER MOD Single : A 10 THR OG1 : rot 86:sc= -0.601 USER MOD Single : A 11 SER OG : rot 100:sc= 0.0796 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot -148:sc= -3.02 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.311 (180deg=-0.908) USER MOD Single : A 24 THR OG1 : rot 91:sc= -0.582! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= -1.37 (180deg=-2.54!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : A 55 GLN : amide:sc= -3.83 K(o=-3.8,f=-7.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -78:sc= 0.0406 USER MOD Single : A 61 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.073) USER MOD Single : A 63 ASN : amide:sc= -2.56! C(o=-2.6!,f=-4.4!) USER MOD Single : A 67 THR OG1 : rot 26:sc= 0.112 USER MOD Single : A 69 LYS NZ :NH3+ -126:sc= 0.00647 (180deg=0) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ -160:sc= -0.359 (180deg=-1.23) USER MOD Single : B 186 HIS : no HD1:sc= -0.841 X(o=-0.84,f=-0.92) USER MOD Single : B 189 TYR OH : rot 100:sc= -1.23 USER MOD Single : B 190 TYR OH : rot 180:sc= -2.46! USER MOD Single : B 191 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 THR OG1 : rot 180:sc= -1.17 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.976 10.252 7.456 1.00 0.00 N ATOM 2 CA ILE A 1 1.278 9.938 6.183 1.00 0.00 C ATOM 3 C ILE A 1 1.704 10.893 5.074 1.00 0.00 C ATOM 4 O ILE A 1 1.071 11.927 4.858 1.00 0.00 O ATOM 5 CB ILE A 1 -0.253 10.020 6.346 1.00 0.00 C ATOM 6 CG1 ILE A 1 -0.644 11.318 7.052 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.773 8.816 7.116 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.947 11.904 6.555 1.00 0.00 C ATOM 0 H1 ILE A 1 1.326 10.103 8.254 1.00 0.00 H new ATOM 0 H2 ILE A 1 2.802 9.629 7.562 1.00 0.00 H new ATOM 0 H3 ILE A 1 2.289 11.244 7.445 1.00 0.00 H new ATOM 0 HA ILE A 1 1.557 8.919 5.914 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.707 10.015 5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -0.724 11.131 8.123 1.00 0.00 H new ATOM 0 HG13 ILE A 1 0.151 12.051 6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -1.855 8.891 7.221 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.524 7.903 6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.313 8.790 8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.163 12.823 7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.865 12.123 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.753 11.188 6.717 1.00 0.00 H new ATOM 22 N ARG A 2 2.779 10.546 4.371 1.00 0.00 N ATOM 23 CA ARG A 2 3.278 11.385 3.285 1.00 0.00 C ATOM 24 C ARG A 2 4.366 10.677 2.480 1.00 0.00 C ATOM 25 O ARG A 2 5.281 11.317 1.962 1.00 0.00 O ATOM 26 CB ARG A 2 3.817 12.709 3.838 1.00 0.00 C ATOM 27 CG ARG A 2 4.299 12.626 5.279 1.00 0.00 C ATOM 28 CD ARG A 2 5.343 11.536 5.463 1.00 0.00 C ATOM 29 NE ARG A 2 6.449 11.666 4.518 1.00 0.00 N ATOM 30 CZ ARG A 2 7.446 10.789 4.422 1.00 0.00 C ATOM 31 NH1 ARG A 2 7.474 9.718 5.206 1.00 0.00 N ATOM 32 NH2 ARG A 2 8.416 10.983 3.540 1.00 0.00 N ATOM 0 H ARG A 2 3.318 9.695 4.532 1.00 0.00 H new ATOM 0 HA ARG A 2 2.441 11.587 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.641 13.045 3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.035 13.465 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.720 13.586 5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.451 12.432 5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.731 11.575 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.873 10.560 5.338 1.00 0.00 H new ATOM 0 HE ARG A 2 6.458 12.475 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.729 9.564 5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.240 9.049 5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.399 11.804 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.180 10.311 3.466 1.00 0.00 H new ATOM 46 N CYS A 3 4.260 9.357 2.371 1.00 0.00 N ATOM 47 CA CYS A 3 5.239 8.573 1.619 1.00 0.00 C ATOM 48 C CYS A 3 4.573 7.402 0.899 1.00 0.00 C ATOM 49 O CYS A 3 3.898 6.582 1.521 1.00 0.00 O ATOM 50 CB CYS A 3 6.338 8.056 2.551 1.00 0.00 C ATOM 51 SG CYS A 3 8.029 8.297 1.913 1.00 0.00 S ATOM 0 H CYS A 3 3.510 8.807 2.791 1.00 0.00 H new ATOM 0 HA CYS A 3 5.685 9.227 0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.249 8.559 3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.177 6.993 2.731 1.00 0.00 H new ATOM 56 N PHE A 4 4.774 7.331 -0.415 1.00 0.00 N ATOM 57 CA PHE A 4 4.200 6.259 -1.224 1.00 0.00 C ATOM 58 C PHE A 4 2.675 6.273 -1.145 1.00 0.00 C ATOM 59 O PHE A 4 2.103 6.049 -0.080 1.00 0.00 O ATOM 60 CB PHE A 4 4.738 4.903 -0.762 1.00 0.00 C ATOM 61 CG PHE A 4 4.568 3.809 -1.779 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.395 3.077 -1.834 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.581 3.514 -2.678 1.00 0.00 C ATOM 64 CE1 PHE A 4 3.231 2.071 -2.766 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.424 2.507 -3.613 1.00 0.00 C ATOM 66 CZ PHE A 4 4.246 1.786 -3.657 1.00 0.00 C ATOM 0 H PHE A 4 5.331 8.004 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 4 4.490 6.423 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.797 5.004 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.230 4.614 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.597 3.295 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.503 4.076 -2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.310 1.508 -2.798 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.221 2.285 -4.307 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.120 1.001 -4.387 1.00 0.00 H new ATOM 76 N ILE A 5 2.032 6.547 -2.287 1.00 0.00 N ATOM 77 CA ILE A 5 0.564 6.608 -2.391 1.00 0.00 C ATOM 78 C ILE A 5 -0.129 6.496 -1.031 1.00 0.00 C ATOM 79 O ILE A 5 -0.434 7.509 -0.401 1.00 0.00 O ATOM 80 CB ILE A 5 0.000 5.523 -3.339 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.931 4.303 -3.405 1.00 0.00 C ATOM 82 CG2 ILE A 5 -0.236 6.105 -4.727 1.00 0.00 C ATOM 83 CD1 ILE A 5 2.196 4.527 -4.210 1.00 0.00 C ATOM 0 H ILE A 5 2.513 6.733 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 5 0.348 7.591 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.956 5.184 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.206 4.015 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.383 3.465 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.633 5.331 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.950 6.926 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.706 6.476 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.796 3.617 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.933 4.784 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.769 5.342 -3.768 1.00 0.00 H new ATOM 95 N THR A 6 -0.373 5.267 -0.578 1.00 0.00 N ATOM 96 CA THR A 6 -1.025 5.057 0.709 1.00 0.00 C ATOM 97 C THR A 6 -1.075 3.577 1.086 1.00 0.00 C ATOM 98 O THR A 6 -2.097 2.915 0.904 1.00 0.00 O ATOM 99 CB THR A 6 -2.440 5.630 0.687 1.00 0.00 C ATOM 100 OG1 THR A 6 -3.146 5.252 1.854 1.00 0.00 O ATOM 101 CG2 THR A 6 -3.251 5.181 -0.510 1.00 0.00 C ATOM 0 H THR A 6 -0.131 4.412 -1.078 1.00 0.00 H new ATOM 0 HA THR A 6 -0.432 5.577 1.462 1.00 0.00 H new ATOM 0 HB THR A 6 -2.316 6.711 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.030 5.674 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.245 5.625 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.754 5.500 -1.426 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.338 4.094 -0.504 1.00 0.00 H new ATOM 109 N PRO A 7 0.031 3.043 1.633 1.00 0.00 N ATOM 110 CA PRO A 7 0.113 1.642 2.055 1.00 0.00 C ATOM 111 C PRO A 7 -1.146 1.182 2.788 1.00 0.00 C ATOM 112 O PRO A 7 -1.694 1.911 3.613 1.00 0.00 O ATOM 113 CB PRO A 7 1.311 1.642 3.001 1.00 0.00 C ATOM 114 CG PRO A 7 2.198 2.717 2.475 1.00 0.00 C ATOM 115 CD PRO A 7 1.288 3.769 1.893 1.00 0.00 C ATOM 0 HA PRO A 7 0.212 0.960 1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.007 1.845 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.816 0.676 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.817 3.134 3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.875 2.326 1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.136 4.595 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.701 4.194 0.978 1.00 0.00 H new ATOM 123 N ASP A 8 -1.602 -0.029 2.478 1.00 0.00 N ATOM 124 CA ASP A 8 -2.800 -0.578 3.108 1.00 0.00 C ATOM 125 C ASP A 8 -4.028 0.258 2.758 1.00 0.00 C ATOM 126 O ASP A 8 -4.052 1.467 2.989 1.00 0.00 O ATOM 127 CB ASP A 8 -2.623 -0.640 4.627 1.00 0.00 C ATOM 128 CG ASP A 8 -3.444 -1.746 5.262 1.00 0.00 C ATOM 129 OD1 ASP A 8 -3.979 -2.593 4.515 1.00 0.00 O ATOM 130 OD2 ASP A 8 -3.554 -1.763 6.506 1.00 0.00 O ATOM 0 H ASP A 8 -1.162 -0.647 1.797 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.950 -1.589 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.570 -0.794 4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.910 0.317 5.063 1.00 0.00 H new ATOM 135 N ILE A 9 -5.046 -0.395 2.198 1.00 0.00 N ATOM 136 CA ILE A 9 -6.283 0.285 1.809 1.00 0.00 C ATOM 137 C ILE A 9 -5.980 1.604 1.092 1.00 0.00 C ATOM 138 O ILE A 9 -4.912 1.759 0.500 1.00 0.00 O ATOM 139 CB ILE A 9 -7.202 0.554 3.021 1.00 0.00 C ATOM 140 CG1 ILE A 9 -6.852 -0.368 4.196 1.00 0.00 C ATOM 141 CG2 ILE A 9 -8.658 0.370 2.611 1.00 0.00 C ATOM 142 CD1 ILE A 9 -6.115 0.334 5.315 1.00 0.00 C ATOM 0 H ILE A 9 -5.039 -1.396 2.003 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.808 -0.384 1.127 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.050 1.582 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.770 -0.802 4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.241 -1.193 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.304 0.560 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.902 1.069 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.811 -0.651 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.900 -0.378 6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.180 0.745 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.733 1.142 5.707 1.00 0.00 H new ATOM 154 N THR A 10 -6.912 2.554 1.147 1.00 0.00 N ATOM 155 CA THR A 10 -6.718 3.846 0.503 1.00 0.00 C ATOM 156 C THR A 10 -6.148 4.859 1.491 1.00 0.00 C ATOM 157 O THR A 10 -5.379 5.740 1.110 1.00 0.00 O ATOM 158 CB THR A 10 -8.038 4.360 -0.073 1.00 0.00 C ATOM 159 OG1 THR A 10 -8.743 3.318 -0.726 1.00 0.00 O ATOM 160 CG2 THR A 10 -7.853 5.482 -1.069 1.00 0.00 C ATOM 0 H THR A 10 -7.805 2.451 1.630 1.00 0.00 H new ATOM 0 HA THR A 10 -6.006 3.717 -0.312 1.00 0.00 H new ATOM 0 HB THR A 10 -8.599 4.738 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.283 2.828 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.826 5.802 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.356 6.322 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.243 5.132 -1.902 1.00 0.00 H new ATOM 168 N SER A 11 -6.531 4.712 2.763 1.00 0.00 N ATOM 169 CA SER A 11 -6.070 5.591 3.846 1.00 0.00 C ATOM 170 C SER A 11 -5.608 6.963 3.328 1.00 0.00 C ATOM 171 O SER A 11 -6.335 7.625 2.587 1.00 0.00 O ATOM 172 CB SER A 11 -4.950 4.898 4.628 1.00 0.00 C ATOM 173 OG SER A 11 -5.341 3.599 5.035 1.00 0.00 O ATOM 0 H SER A 11 -7.170 3.980 3.073 1.00 0.00 H new ATOM 0 HA SER A 11 -6.915 5.777 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.055 4.835 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.690 5.494 5.503 1.00 0.00 H new ATOM 0 HG SER A 11 -4.959 2.936 4.423 1.00 0.00 H new ATOM 179 N LYS A 12 -4.402 7.388 3.716 1.00 0.00 N ATOM 180 CA LYS A 12 -3.870 8.674 3.281 1.00 0.00 C ATOM 181 C LYS A 12 -2.465 8.517 2.703 1.00 0.00 C ATOM 182 O LYS A 12 -2.232 8.812 1.530 1.00 0.00 O ATOM 183 CB LYS A 12 -3.847 9.663 4.449 1.00 0.00 C ATOM 184 CG LYS A 12 -5.207 9.863 5.101 1.00 0.00 C ATOM 185 CD LYS A 12 -5.207 9.406 6.552 1.00 0.00 C ATOM 186 CE LYS A 12 -5.859 8.042 6.707 1.00 0.00 C ATOM 187 NZ LYS A 12 -6.374 7.827 8.087 1.00 0.00 N ATOM 0 H LYS A 12 -3.781 6.859 4.328 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.523 9.062 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.141 9.309 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.478 10.625 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.483 10.916 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.963 9.308 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.182 9.365 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.737 10.135 7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.679 7.948 5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.135 7.264 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.811 6.886 8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.588 7.891 8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.083 8.554 8.310 1.00 0.00 H new ATOM 201 N ASP A 13 -1.532 8.051 3.529 1.00 0.00 N ATOM 202 CA ASP A 13 -0.153 7.859 3.091 1.00 0.00 C ATOM 203 C ASP A 13 0.646 7.053 4.116 1.00 0.00 C ATOM 204 O ASP A 13 1.792 7.380 4.421 1.00 0.00 O ATOM 205 CB ASP A 13 0.517 9.211 2.848 1.00 0.00 C ATOM 206 CG ASP A 13 0.413 9.656 1.401 1.00 0.00 C ATOM 207 OD1 ASP A 13 1.180 9.134 0.564 1.00 0.00 O ATOM 208 OD2 ASP A 13 -0.433 10.525 1.105 1.00 0.00 O ATOM 0 H ASP A 13 -1.705 7.800 4.502 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.171 7.296 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.057 9.962 3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.568 9.149 3.132 1.00 0.00 H new ATOM 213 N CYS A 14 0.031 5.996 4.645 1.00 0.00 N ATOM 214 CA CYS A 14 0.677 5.139 5.639 1.00 0.00 C ATOM 215 C CYS A 14 0.819 5.873 6.977 1.00 0.00 C ATOM 216 O CYS A 14 1.249 7.025 7.016 1.00 0.00 O ATOM 217 CB CYS A 14 2.042 4.647 5.123 1.00 0.00 C ATOM 218 SG CYS A 14 3.497 5.508 5.811 1.00 0.00 S ATOM 0 H CYS A 14 -0.918 5.712 4.401 1.00 0.00 H new ATOM 0 HA CYS A 14 0.047 4.265 5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.133 3.583 5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.060 4.750 4.038 1.00 0.00 H new ATOM 223 N PRO A 15 0.447 5.217 8.093 1.00 0.00 N ATOM 224 CA PRO A 15 0.518 5.810 9.426 1.00 0.00 C ATOM 225 C PRO A 15 1.846 5.553 10.130 1.00 0.00 C ATOM 226 O PRO A 15 1.910 5.529 11.360 1.00 0.00 O ATOM 227 CB PRO A 15 -0.612 5.090 10.151 1.00 0.00 C ATOM 228 CG PRO A 15 -0.626 3.719 9.556 1.00 0.00 C ATOM 229 CD PRO A 15 -0.088 3.845 8.147 1.00 0.00 C ATOM 0 HA PRO A 15 0.434 6.896 9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.434 5.054 11.226 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.565 5.597 10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.012 3.037 10.144 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.637 3.312 9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.688 3.106 7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.872 3.692 7.405 1.00 0.00 H new ATOM 237 N ASN A 16 2.904 5.361 9.352 1.00 0.00 N ATOM 238 CA ASN A 16 4.226 5.105 9.915 1.00 0.00 C ATOM 239 C ASN A 16 5.206 6.215 9.539 1.00 0.00 C ATOM 240 O ASN A 16 5.532 7.071 10.362 1.00 0.00 O ATOM 241 CB ASN A 16 4.750 3.749 9.437 1.00 0.00 C ATOM 242 CG ASN A 16 5.115 2.832 10.588 1.00 0.00 C ATOM 243 OD1 ASN A 16 6.100 3.060 11.291 1.00 0.00 O ATOM 244 ND2 ASN A 16 4.322 1.785 10.786 1.00 0.00 N ATOM 0 H ASN A 16 2.874 5.377 8.333 1.00 0.00 H new ATOM 0 HA ASN A 16 4.136 5.087 11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.993 3.267 8.818 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.626 3.903 8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.519 1.132 11.545 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.516 1.634 10.179 1.00 0.00 H new ATOM 251 N GLY A 17 5.669 6.196 8.293 1.00 0.00 N ATOM 252 CA GLY A 17 6.604 7.206 7.832 1.00 0.00 C ATOM 253 C GLY A 17 7.998 6.653 7.607 1.00 0.00 C ATOM 254 O GLY A 17 8.179 5.684 6.870 1.00 0.00 O ATOM 0 H GLY A 17 5.413 5.499 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.235 7.640 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.651 8.013 8.564 1.00 0.00 H new ATOM 258 N HIS A 18 8.986 7.273 8.246 1.00 0.00 N ATOM 259 CA HIS A 18 10.376 6.846 8.118 1.00 0.00 C ATOM 260 C HIS A 18 10.915 7.138 6.717 1.00 0.00 C ATOM 261 O HIS A 18 11.556 8.165 6.496 1.00 0.00 O ATOM 262 CB HIS A 18 10.515 5.355 8.449 1.00 0.00 C ATOM 263 CG HIS A 18 11.302 5.091 9.696 1.00 0.00 C ATOM 264 ND1 HIS A 18 12.646 4.781 9.687 1.00 0.00 N ATOM 265 CD2 HIS A 18 10.928 5.092 10.998 1.00 0.00 C ATOM 266 CE1 HIS A 18 13.064 4.602 10.927 1.00 0.00 C ATOM 267 NE2 HIS A 18 12.041 4.786 11.741 1.00 0.00 N ATOM 0 H HIS A 18 8.849 8.076 8.860 1.00 0.00 H new ATOM 0 HA HIS A 18 10.970 7.416 8.833 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.521 4.921 8.557 1.00 0.00 H new ATOM 0 HB3 HIS A 18 10.995 4.848 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.939 5.296 11.380 1.00 0.00 H new ATOM 0 HE1 HIS A 18 14.071 4.348 11.224 1.00 0.00 H new ATOM 0 HE2 HIS A 18 12.073 4.713 12.758 1.00 0.00 H new ATOM 276 N VAL A 19 10.660 6.233 5.773 1.00 0.00 N ATOM 277 CA VAL A 19 11.133 6.409 4.402 1.00 0.00 C ATOM 278 C VAL A 19 10.252 5.654 3.419 1.00 0.00 C ATOM 279 O VAL A 19 9.642 4.644 3.766 1.00 0.00 O ATOM 280 CB VAL A 19 12.589 5.925 4.236 1.00 0.00 C ATOM 281 CG1 VAL A 19 13.199 6.489 2.961 1.00 0.00 C ATOM 282 CG2 VAL A 19 13.429 6.305 5.446 1.00 0.00 C ATOM 0 H VAL A 19 10.131 5.375 5.932 1.00 0.00 H new ATOM 0 HA VAL A 19 11.087 7.477 4.190 1.00 0.00 H new ATOM 0 HB VAL A 19 12.578 4.838 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.226 6.136 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.617 6.157 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.192 7.578 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.451 5.953 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.431 7.389 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.007 5.846 6.340 1.00 0.00 H new ATOM 292 N CYS A 20 10.194 6.147 2.187 1.00 0.00 N ATOM 293 CA CYS A 20 9.389 5.504 1.155 1.00 0.00 C ATOM 294 C CYS A 20 9.981 4.149 0.803 1.00 0.00 C ATOM 295 O CYS A 20 10.687 3.994 -0.194 1.00 0.00 O ATOM 296 CB CYS A 20 9.284 6.390 -0.086 1.00 0.00 C ATOM 297 SG CYS A 20 7.939 7.618 0.001 1.00 0.00 S ATOM 0 H CYS A 20 10.691 6.983 1.880 1.00 0.00 H new ATOM 0 HA CYS A 20 8.381 5.355 1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.231 6.911 -0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.131 5.758 -0.961 1.00 0.00 H new ATOM 302 N TYR A 21 9.688 3.179 1.654 1.00 0.00 N ATOM 303 CA TYR A 21 10.178 1.817 1.493 1.00 0.00 C ATOM 304 C TYR A 21 9.397 1.071 0.422 1.00 0.00 C ATOM 305 O TYR A 21 8.447 0.363 0.726 1.00 0.00 O ATOM 306 CB TYR A 21 10.058 1.078 2.831 1.00 0.00 C ATOM 307 CG TYR A 21 11.258 0.234 3.192 1.00 0.00 C ATOM 308 CD1 TYR A 21 12.543 0.751 3.115 1.00 0.00 C ATOM 309 CD2 TYR A 21 11.102 -1.081 3.615 1.00 0.00 C ATOM 310 CE1 TYR A 21 13.642 -0.017 3.448 1.00 0.00 C ATOM 311 CE2 TYR A 21 12.195 -1.855 3.950 1.00 0.00 C ATOM 312 CZ TYR A 21 13.463 -1.319 3.865 1.00 0.00 C ATOM 313 OH TYR A 21 14.554 -2.087 4.197 1.00 0.00 O ATOM 0 H TYR A 21 9.102 3.313 2.478 1.00 0.00 H new ATOM 0 HA TYR A 21 11.221 1.859 1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.893 1.810 3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.176 0.438 2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.687 1.771 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.110 -1.504 3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.636 0.400 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.058 -2.875 4.277 1.00 0.00 H new ATOM 0 HH TYR A 21 14.373 -3.025 3.977 1.00 0.00 H new ATOM 323 N THR A 22 9.809 1.211 -0.830 1.00 0.00 N ATOM 324 CA THR A 22 9.130 0.517 -1.918 1.00 0.00 C ATOM 325 C THR A 22 9.299 -0.986 -1.750 1.00 0.00 C ATOM 326 O THR A 22 10.041 -1.634 -2.486 1.00 0.00 O ATOM 327 CB THR A 22 9.671 0.979 -3.269 1.00 0.00 C ATOM 328 OG1 THR A 22 9.458 2.369 -3.445 1.00 0.00 O ATOM 329 CG2 THR A 22 9.045 0.265 -4.448 1.00 0.00 C ATOM 0 H THR A 22 10.598 1.790 -1.117 1.00 0.00 H new ATOM 0 HA THR A 22 8.067 0.756 -1.886 1.00 0.00 H new ATOM 0 HB THR A 22 10.734 0.740 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.813 2.647 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.477 0.644 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.237 -0.805 -4.369 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.969 0.441 -4.451 1.00 0.00 H new ATOM 337 N LYS A 23 8.613 -1.512 -0.746 1.00 0.00 N ATOM 338 CA LYS A 23 8.669 -2.924 -0.407 1.00 0.00 C ATOM 339 C LYS A 23 7.691 -3.751 -1.231 1.00 0.00 C ATOM 340 O LYS A 23 6.505 -3.442 -1.295 1.00 0.00 O ATOM 341 CB LYS A 23 8.357 -3.091 1.079 1.00 0.00 C ATOM 342 CG LYS A 23 8.832 -4.404 1.670 1.00 0.00 C ATOM 343 CD LYS A 23 9.462 -4.187 3.033 1.00 0.00 C ATOM 344 CE LYS A 23 8.415 -3.878 4.090 1.00 0.00 C ATOM 345 NZ LYS A 23 7.248 -4.800 4.005 1.00 0.00 N ATOM 0 H LYS A 23 7.999 -0.967 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 23 9.672 -3.286 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.816 -2.270 1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.280 -3.009 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.992 -5.093 1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.556 -4.868 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.020 -5.077 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.177 -3.366 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.866 -3.954 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.074 -2.849 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.705 -4.756 4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.639 -4.517 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.584 -5.772 3.853 1.00 0.00 H new ATOM 359 N THR A 24 8.195 -4.826 -1.824 1.00 0.00 N ATOM 360 CA THR A 24 7.379 -5.732 -2.613 1.00 0.00 C ATOM 361 C THR A 24 7.532 -7.128 -2.042 1.00 0.00 C ATOM 362 O THR A 24 8.174 -7.999 -2.633 1.00 0.00 O ATOM 363 CB THR A 24 7.796 -5.709 -4.085 1.00 0.00 C ATOM 364 OG1 THR A 24 8.420 -4.480 -4.416 1.00 0.00 O ATOM 365 CG2 THR A 24 6.639 -5.906 -5.039 1.00 0.00 C ATOM 0 H THR A 24 9.178 -5.091 -1.770 1.00 0.00 H new ATOM 0 HA THR A 24 6.336 -5.418 -2.566 1.00 0.00 H new ATOM 0 HB THR A 24 8.487 -6.544 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.387 -4.556 -4.276 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.005 -5.879 -6.065 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.169 -6.871 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.908 -5.111 -4.893 1.00 0.00 H new ATOM 373 N TRP A 25 6.962 -7.309 -0.865 1.00 0.00 N ATOM 374 CA TRP A 25 7.041 -8.576 -0.155 1.00 0.00 C ATOM 375 C TRP A 25 5.688 -9.269 -0.101 1.00 0.00 C ATOM 376 O TRP A 25 4.645 -8.617 -0.054 1.00 0.00 O ATOM 377 CB TRP A 25 7.522 -8.342 1.276 1.00 0.00 C ATOM 378 CG TRP A 25 8.057 -9.577 1.936 1.00 0.00 C ATOM 379 CD1 TRP A 25 8.481 -10.720 1.321 1.00 0.00 C ATOM 380 CD2 TRP A 25 8.219 -9.795 3.342 1.00 0.00 C ATOM 381 NE1 TRP A 25 8.896 -11.635 2.258 1.00 0.00 N ATOM 382 CE2 TRP A 25 8.745 -11.090 3.506 1.00 0.00 C ATOM 383 CE3 TRP A 25 7.971 -9.020 4.479 1.00 0.00 C ATOM 384 CZ2 TRP A 25 9.026 -11.627 4.761 1.00 0.00 C ATOM 385 CZ3 TRP A 25 8.251 -9.553 5.723 1.00 0.00 C ATOM 386 CH2 TRP A 25 8.774 -10.846 5.855 1.00 0.00 C ATOM 0 H TRP A 25 6.434 -6.587 -0.375 1.00 0.00 H new ATOM 0 HA TRP A 25 7.743 -9.211 -0.695 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.299 -7.577 1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.695 -7.951 1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.489 -10.881 0.253 1.00 0.00 H new ATOM 0 HE1 TRP A 25 9.257 -12.568 2.057 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.568 -8.022 4.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 9.428 -12.624 4.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.064 -8.963 6.608 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.982 -11.234 6.841 1.00 0.00 H new ATOM 397 N CYS A 26 5.716 -10.593 -0.074 1.00 0.00 N ATOM 398 CA CYS A 26 4.500 -11.379 0.017 1.00 0.00 C ATOM 399 C CYS A 26 4.546 -12.295 1.240 1.00 0.00 C ATOM 400 O CYS A 26 3.605 -13.046 1.490 1.00 0.00 O ATOM 401 CB CYS A 26 4.293 -12.206 -1.253 1.00 0.00 C ATOM 402 SG CYS A 26 2.569 -12.739 -1.518 1.00 0.00 S ATOM 0 H CYS A 26 6.573 -11.145 -0.114 1.00 0.00 H new ATOM 0 HA CYS A 26 3.660 -10.693 0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.618 -11.620 -2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.932 -13.088 -1.208 1.00 0.00 H new ATOM 407 N ASP A 27 5.645 -12.226 2.003 1.00 0.00 N ATOM 408 CA ASP A 27 5.800 -13.052 3.200 1.00 0.00 C ATOM 409 C ASP A 27 5.576 -14.533 2.884 1.00 0.00 C ATOM 410 O ASP A 27 6.526 -15.268 2.614 1.00 0.00 O ATOM 411 CB ASP A 27 4.832 -12.590 4.294 1.00 0.00 C ATOM 412 CG ASP A 27 5.516 -11.749 5.355 1.00 0.00 C ATOM 413 OD1 ASP A 27 6.425 -12.273 6.033 1.00 0.00 O ATOM 414 OD2 ASP A 27 5.142 -10.567 5.508 1.00 0.00 O ATOM 0 H ASP A 27 6.434 -11.609 1.811 1.00 0.00 H new ATOM 0 HA ASP A 27 6.822 -12.935 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.025 -12.013 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.376 -13.462 4.763 1.00 0.00 H new ATOM 419 N ALA A 28 4.316 -14.964 2.916 1.00 0.00 N ATOM 420 CA ALA A 28 3.974 -16.352 2.630 1.00 0.00 C ATOM 421 C ALA A 28 2.987 -16.445 1.471 1.00 0.00 C ATOM 422 O ALA A 28 3.202 -17.195 0.519 1.00 0.00 O ATOM 423 CB ALA A 28 3.397 -17.019 3.870 1.00 0.00 C ATOM 0 H ALA A 28 3.517 -14.370 3.137 1.00 0.00 H new ATOM 0 HA ALA A 28 4.886 -16.874 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.146 -18.055 3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.133 -16.992 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.498 -16.488 4.184 1.00 0.00 H new ATOM 429 N PHE A 29 1.905 -15.678 1.559 1.00 0.00 N ATOM 430 CA PHE A 29 0.885 -15.675 0.516 1.00 0.00 C ATOM 431 C PHE A 29 0.161 -14.332 0.456 1.00 0.00 C ATOM 432 O PHE A 29 -0.969 -14.250 -0.024 1.00 0.00 O ATOM 433 CB PHE A 29 -0.125 -16.799 0.759 1.00 0.00 C ATOM 434 CG PHE A 29 -0.569 -16.910 2.191 1.00 0.00 C ATOM 435 CD1 PHE A 29 -1.259 -15.873 2.799 1.00 0.00 C ATOM 436 CD2 PHE A 29 -0.297 -18.052 2.927 1.00 0.00 C ATOM 437 CE1 PHE A 29 -1.668 -15.974 4.115 1.00 0.00 C ATOM 438 CE2 PHE A 29 -0.704 -18.158 4.244 1.00 0.00 C ATOM 439 CZ PHE A 29 -1.390 -17.117 4.839 1.00 0.00 C ATOM 0 H PHE A 29 1.712 -15.051 2.340 1.00 0.00 H new ATOM 0 HA PHE A 29 1.383 -15.839 -0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.999 -16.634 0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.317 -17.746 0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.479 -14.977 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.239 -18.869 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.205 -15.159 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.486 -19.054 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.708 -17.197 5.868 1.00 0.00 H new ATOM 449 N CYS A 30 0.820 -13.283 0.941 1.00 0.00 N ATOM 450 CA CYS A 30 0.241 -11.947 0.938 1.00 0.00 C ATOM 451 C CYS A 30 -1.059 -11.911 1.740 1.00 0.00 C ATOM 452 O CYS A 30 -2.035 -12.576 1.394 1.00 0.00 O ATOM 453 CB CYS A 30 -0.010 -11.488 -0.498 1.00 0.00 C ATOM 454 SG CYS A 30 1.501 -11.014 -1.403 1.00 0.00 S ATOM 0 H CYS A 30 1.757 -13.335 1.341 1.00 0.00 H new ATOM 0 HA CYS A 30 0.949 -11.266 1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.510 -12.289 -1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.693 -10.639 -0.482 1.00 0.00 H new ATOM 459 N SER A 31 -1.059 -11.134 2.820 1.00 0.00 N ATOM 460 CA SER A 31 -2.232 -11.015 3.682 1.00 0.00 C ATOM 461 C SER A 31 -3.384 -10.309 2.970 1.00 0.00 C ATOM 462 O SER A 31 -4.479 -10.859 2.851 1.00 0.00 O ATOM 463 CB SER A 31 -1.872 -10.256 4.960 1.00 0.00 C ATOM 464 OG SER A 31 -2.733 -10.615 6.026 1.00 0.00 O ATOM 0 H SER A 31 -0.259 -10.577 3.119 1.00 0.00 H new ATOM 0 HA SER A 31 -2.559 -12.023 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.839 -10.470 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.938 -9.183 4.780 1.00 0.00 H new ATOM 0 HG SER A 31 -2.481 -10.117 6.832 1.00 0.00 H new ATOM 470 N ILE A 32 -3.135 -9.089 2.506 1.00 0.00 N ATOM 471 CA ILE A 32 -4.162 -8.310 1.814 1.00 0.00 C ATOM 472 C ILE A 32 -4.311 -8.775 0.363 1.00 0.00 C ATOM 473 O ILE A 32 -3.922 -9.892 0.023 1.00 0.00 O ATOM 474 CB ILE A 32 -3.867 -6.784 1.843 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.818 -6.437 2.909 1.00 0.00 C ATOM 476 CG2 ILE A 32 -5.153 -6.006 2.095 1.00 0.00 C ATOM 477 CD1 ILE A 32 -2.668 -4.951 3.161 1.00 0.00 C ATOM 0 H ILE A 32 -2.235 -8.617 2.595 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.096 -8.481 2.350 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.462 -6.501 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.088 -6.929 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.854 -6.843 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.935 -4.938 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.868 -6.217 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.578 -6.306 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.909 -4.786 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.367 -4.454 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.620 -4.542 3.500 1.00 0.00 H new ATOM 489 N ARG A 33 -4.876 -7.916 -0.488 1.00 0.00 N ATOM 490 CA ARG A 33 -5.075 -8.242 -1.901 1.00 0.00 C ATOM 491 C ARG A 33 -3.823 -8.876 -2.493 1.00 0.00 C ATOM 492 O ARG A 33 -3.846 -10.012 -2.966 1.00 0.00 O ATOM 493 CB ARG A 33 -5.428 -6.976 -2.687 1.00 0.00 C ATOM 494 CG ARG A 33 -6.553 -6.170 -2.064 1.00 0.00 C ATOM 495 CD ARG A 33 -7.855 -6.334 -2.833 1.00 0.00 C ATOM 496 NE ARG A 33 -8.741 -7.315 -2.210 1.00 0.00 N ATOM 497 CZ ARG A 33 -8.730 -8.616 -2.495 1.00 0.00 C ATOM 498 NH1 ARG A 33 -7.878 -9.103 -3.388 1.00 0.00 N ATOM 499 NH2 ARG A 33 -9.575 -9.435 -1.882 1.00 0.00 N ATOM 0 H ARG A 33 -5.204 -6.988 -0.222 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.895 -8.956 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.541 -6.347 -2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.711 -7.255 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.698 -6.486 -1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.275 -5.116 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.364 -5.372 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.636 -6.642 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.409 -6.983 -1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.225 -8.480 -3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.876 -10.101 -3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.232 -9.068 -1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.568 -10.432 -2.099 1.00 0.00 H new ATOM 513 N GLY A 34 -2.733 -8.124 -2.458 1.00 0.00 N ATOM 514 CA GLY A 34 -1.472 -8.610 -2.987 1.00 0.00 C ATOM 515 C GLY A 34 -0.386 -7.553 -2.946 1.00 0.00 C ATOM 516 O GLY A 34 0.454 -7.480 -3.843 1.00 0.00 O ATOM 0 H GLY A 34 -2.698 -7.181 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.151 -9.480 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.615 -8.941 -4.016 1.00 0.00 H new ATOM 520 N LYS A 35 -0.406 -6.728 -1.903 1.00 0.00 N ATOM 521 CA LYS A 35 0.578 -5.663 -1.746 1.00 0.00 C ATOM 522 C LYS A 35 0.577 -4.730 -2.957 1.00 0.00 C ATOM 523 O LYS A 35 1.544 -4.008 -3.191 1.00 0.00 O ATOM 524 CB LYS A 35 1.973 -6.256 -1.540 1.00 0.00 C ATOM 525 CG LYS A 35 2.361 -6.395 -0.077 1.00 0.00 C ATOM 526 CD LYS A 35 1.478 -7.403 0.641 1.00 0.00 C ATOM 527 CE LYS A 35 1.285 -7.032 2.103 1.00 0.00 C ATOM 528 NZ LYS A 35 0.310 -5.919 2.269 1.00 0.00 N ATOM 0 H LYS A 35 -1.095 -6.777 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 35 0.306 -5.080 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.016 -7.236 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.706 -5.626 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.403 -6.706 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.282 -5.426 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.508 -7.456 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.925 -8.395 0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.938 -7.905 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.243 -6.742 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.089 -5.947 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.793 -5.010 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.456 -6.022 1.573 1.00 0.00 H new ATOM 542 N ARG A 36 -0.519 -4.748 -3.717 1.00 0.00 N ATOM 543 CA ARG A 36 -0.660 -3.903 -4.900 1.00 0.00 C ATOM 544 C ARG A 36 0.606 -3.924 -5.762 1.00 0.00 C ATOM 545 O ARG A 36 0.745 -4.766 -6.650 1.00 0.00 O ATOM 546 CB ARG A 36 -1.003 -2.471 -4.484 1.00 0.00 C ATOM 547 CG ARG A 36 -2.364 -2.344 -3.822 1.00 0.00 C ATOM 548 CD ARG A 36 -3.420 -1.885 -4.809 1.00 0.00 C ATOM 549 NE ARG A 36 -3.834 -2.957 -5.711 1.00 0.00 N ATOM 550 CZ ARG A 36 -4.723 -3.895 -5.391 1.00 0.00 C ATOM 551 NH1 ARG A 36 -5.293 -3.899 -4.192 1.00 0.00 N ATOM 552 NH2 ARG A 36 -5.043 -4.832 -6.273 1.00 0.00 N ATOM 0 H ARG A 36 -1.326 -5.343 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.474 -4.303 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.238 -2.107 -3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.974 -1.828 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.654 -3.305 -3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.304 -1.635 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.288 -1.515 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.031 -1.051 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.417 -2.989 -6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.051 -3.181 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.973 -4.620 -3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.608 -4.834 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.724 -5.551 -6.029 1.00 0.00 H new ATOM 566 N VAL A 37 1.528 -3.002 -5.494 1.00 0.00 N ATOM 567 CA VAL A 37 2.775 -2.928 -6.242 1.00 0.00 C ATOM 568 C VAL A 37 3.972 -3.089 -5.315 1.00 0.00 C ATOM 569 O VAL A 37 4.863 -3.896 -5.575 1.00 0.00 O ATOM 570 CB VAL A 37 2.900 -1.594 -7.000 1.00 0.00 C ATOM 571 CG1 VAL A 37 4.127 -1.603 -7.901 1.00 0.00 C ATOM 572 CG2 VAL A 37 1.640 -1.318 -7.805 1.00 0.00 C ATOM 0 H VAL A 37 1.432 -2.297 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 37 2.762 -3.743 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 37 3.020 -0.793 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.198 -0.652 -8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.022 -1.750 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.041 -2.413 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.746 -0.371 -8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.485 -2.121 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.783 -1.264 -7.133 1.00 0.00 H new ATOM 582 N ASP A 38 3.980 -2.319 -4.227 1.00 0.00 N ATOM 583 CA ASP A 38 5.062 -2.373 -3.248 1.00 0.00 C ATOM 584 C ASP A 38 5.008 -1.181 -2.293 1.00 0.00 C ATOM 585 O ASP A 38 5.710 -0.189 -2.488 1.00 0.00 O ATOM 586 CB ASP A 38 6.425 -2.406 -3.946 1.00 0.00 C ATOM 587 CG ASP A 38 6.519 -1.408 -5.084 1.00 0.00 C ATOM 588 OD1 ASP A 38 5.816 -0.377 -5.030 1.00 0.00 O ATOM 589 OD2 ASP A 38 7.296 -1.658 -6.030 1.00 0.00 O ATOM 0 H ASP A 38 3.245 -1.648 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 38 4.931 -3.288 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.208 -2.196 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.608 -3.409 -4.331 1.00 0.00 H new ATOM 594 N LEU A 39 4.182 -1.284 -1.253 1.00 0.00 N ATOM 595 CA LEU A 39 4.060 -0.208 -0.269 1.00 0.00 C ATOM 596 C LEU A 39 5.348 -0.075 0.537 1.00 0.00 C ATOM 597 O LEU A 39 6.317 -0.791 0.283 1.00 0.00 O ATOM 598 CB LEU A 39 2.870 -0.449 0.667 1.00 0.00 C ATOM 599 CG LEU A 39 2.560 -1.915 0.983 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.817 -2.647 1.426 1.00 0.00 C ATOM 601 CD2 LEU A 39 1.482 -2.009 2.051 1.00 0.00 C ATOM 0 H LEU A 39 3.591 -2.095 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 39 3.885 0.723 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.057 0.074 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.984 0.003 0.222 1.00 0.00 H new ATOM 0 HG LEU A 39 2.191 -2.392 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.574 -3.687 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.560 -2.608 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.219 -2.171 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.272 -3.057 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.826 -1.515 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.574 -1.523 1.695 1.00 0.00 H new ATOM 613 N GLY A 40 5.370 0.847 1.501 1.00 0.00 N ATOM 614 CA GLY A 40 6.570 1.035 2.295 1.00 0.00 C ATOM 615 C GLY A 40 6.317 1.516 3.707 1.00 0.00 C ATOM 616 O GLY A 40 5.376 1.075 4.367 1.00 0.00 O ATOM 0 H GLY A 40 4.589 1.457 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.114 0.091 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.216 1.753 1.790 1.00 0.00 H new ATOM 620 N CYS A 41 7.192 2.410 4.172 1.00 0.00 N ATOM 621 CA CYS A 41 7.117 2.961 5.521 1.00 0.00 C ATOM 622 C CYS A 41 7.597 1.929 6.535 1.00 0.00 C ATOM 623 O CYS A 41 6.802 1.371 7.291 1.00 0.00 O ATOM 624 CB CYS A 41 5.691 3.412 5.856 1.00 0.00 C ATOM 625 SG CYS A 41 5.056 4.730 4.769 1.00 0.00 S ATOM 0 H CYS A 41 7.971 2.771 3.622 1.00 0.00 H new ATOM 0 HA CYS A 41 7.766 3.836 5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.025 2.552 5.794 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.665 3.762 6.888 1.00 0.00 H new ATOM 630 N ALA A 42 8.907 1.667 6.539 1.00 0.00 N ATOM 631 CA ALA A 42 9.482 0.686 7.457 1.00 0.00 C ATOM 632 C ALA A 42 10.970 0.451 7.195 1.00 0.00 C ATOM 633 O ALA A 42 11.460 0.659 6.085 1.00 0.00 O ATOM 634 CB ALA A 42 8.734 -0.633 7.341 1.00 0.00 C ATOM 0 H ALA A 42 9.583 2.117 5.922 1.00 0.00 H new ATOM 0 HA ALA A 42 9.381 1.089 8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.168 -1.359 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.684 -0.479 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.813 -1.007 6.320 1.00 0.00 H new ATOM 640 N ALA A 43 11.673 -0.009 8.230 1.00 0.00 N ATOM 641 CA ALA A 43 13.102 -0.311 8.142 1.00 0.00 C ATOM 642 C ALA A 43 13.892 0.788 7.432 1.00 0.00 C ATOM 643 O ALA A 43 13.360 1.854 7.124 1.00 0.00 O ATOM 644 CB ALA A 43 13.311 -1.644 7.439 1.00 0.00 C ATOM 0 H ALA A 43 11.269 -0.182 9.151 1.00 0.00 H new ATOM 0 HA ALA A 43 13.482 -0.369 9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.378 -1.860 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.812 -2.434 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.893 -1.595 6.434 1.00 0.00 H new ATOM 650 N THR A 44 15.172 0.511 7.185 1.00 0.00 N ATOM 651 CA THR A 44 16.055 1.462 6.519 1.00 0.00 C ATOM 652 C THR A 44 17.057 0.743 5.613 1.00 0.00 C ATOM 653 O THR A 44 18.238 1.086 5.578 1.00 0.00 O ATOM 654 CB THR A 44 16.800 2.308 7.555 1.00 0.00 C ATOM 655 OG1 THR A 44 17.010 1.571 8.746 1.00 0.00 O ATOM 656 CG2 THR A 44 16.068 3.580 7.926 1.00 0.00 C ATOM 0 H THR A 44 15.620 -0.369 7.438 1.00 0.00 H new ATOM 0 HA THR A 44 15.441 2.114 5.899 1.00 0.00 H new ATOM 0 HB THR A 44 17.746 2.576 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.489 2.128 9.395 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.650 4.133 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.933 4.195 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.094 3.330 8.346 1.00 0.00 H new ATOM 664 N CYS A 45 16.570 -0.250 4.872 1.00 0.00 N ATOM 665 CA CYS A 45 17.411 -1.018 3.952 1.00 0.00 C ATOM 666 C CYS A 45 18.401 -1.923 4.697 1.00 0.00 C ATOM 667 O CYS A 45 19.615 -1.806 4.521 1.00 0.00 O ATOM 668 CB CYS A 45 18.159 -0.070 3.005 1.00 0.00 C ATOM 669 SG CYS A 45 17.633 -0.190 1.263 1.00 0.00 S ATOM 0 H CYS A 45 15.593 -0.544 4.890 1.00 0.00 H new ATOM 0 HA CYS A 45 16.756 -1.666 3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.016 0.955 3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.227 -0.280 3.066 1.00 0.00 H new ATOM 674 N PRO A 46 17.897 -2.837 5.551 1.00 0.00 N ATOM 675 CA PRO A 46 18.728 -3.752 6.327 1.00 0.00 C ATOM 676 C PRO A 46 18.867 -5.143 5.695 1.00 0.00 C ATOM 677 O PRO A 46 19.678 -5.954 6.140 1.00 0.00 O ATOM 678 CB PRO A 46 17.930 -3.851 7.620 1.00 0.00 C ATOM 679 CG PRO A 46 16.499 -3.787 7.180 1.00 0.00 C ATOM 680 CD PRO A 46 16.471 -3.048 5.856 1.00 0.00 C ATOM 0 HA PRO A 46 19.755 -3.399 6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.142 -4.781 8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.173 -3.035 8.301 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.085 -4.789 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.891 -3.270 7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.977 -3.633 5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.933 -2.103 5.935 1.00 0.00 H new ATOM 688 N THR A 47 18.064 -5.416 4.670 1.00 0.00 N ATOM 689 CA THR A 47 18.084 -6.708 3.990 1.00 0.00 C ATOM 690 C THR A 47 17.206 -6.651 2.748 1.00 0.00 C ATOM 691 O THR A 47 16.649 -7.658 2.310 1.00 0.00 O ATOM 692 CB THR A 47 17.577 -7.801 4.925 1.00 0.00 C ATOM 693 OG1 THR A 47 17.415 -9.027 4.229 1.00 0.00 O ATOM 694 CG2 THR A 47 16.251 -7.449 5.560 1.00 0.00 C ATOM 0 H THR A 47 17.387 -4.755 4.290 1.00 0.00 H new ATOM 0 HA THR A 47 19.109 -6.936 3.698 1.00 0.00 H new ATOM 0 HB THR A 47 18.330 -7.899 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.768 -8.908 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.935 -8.260 6.216 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.358 -6.533 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.503 -7.300 4.781 1.00 0.00 H new ATOM 702 N VAL A 48 17.086 -5.449 2.209 1.00 0.00 N ATOM 703 CA VAL A 48 16.282 -5.178 1.025 1.00 0.00 C ATOM 704 C VAL A 48 16.644 -6.072 -0.143 1.00 0.00 C ATOM 705 O VAL A 48 17.381 -5.663 -1.041 1.00 0.00 O ATOM 706 CB VAL A 48 16.482 -3.744 0.562 1.00 0.00 C ATOM 707 CG1 VAL A 48 15.547 -2.807 1.300 1.00 0.00 C ATOM 708 CG2 VAL A 48 17.931 -3.319 0.731 1.00 0.00 C ATOM 0 H VAL A 48 17.550 -4.622 2.585 1.00 0.00 H new ATOM 0 HA VAL A 48 15.249 -5.365 1.319 1.00 0.00 H new ATOM 0 HB VAL A 48 16.241 -3.691 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.707 -1.786 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.514 -3.098 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.747 -2.862 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.050 -2.290 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.211 -3.391 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.573 -3.972 0.139 1.00 0.00 H new ATOM 718 N LYS A 49 16.153 -7.294 -0.130 1.00 0.00 N ATOM 719 CA LYS A 49 16.468 -8.228 -1.200 1.00 0.00 C ATOM 720 C LYS A 49 15.665 -9.520 -1.073 1.00 0.00 C ATOM 721 O LYS A 49 14.571 -9.530 -0.510 1.00 0.00 O ATOM 722 CB LYS A 49 17.978 -8.518 -1.210 1.00 0.00 C ATOM 723 CG LYS A 49 18.734 -7.868 -0.065 1.00 0.00 C ATOM 724 CD LYS A 49 19.581 -8.876 0.684 1.00 0.00 C ATOM 725 CE LYS A 49 21.063 -8.686 0.402 1.00 0.00 C ATOM 726 NZ LYS A 49 21.540 -9.585 -0.686 1.00 0.00 N ATOM 0 H LYS A 49 15.542 -7.664 0.598 1.00 0.00 H new ATOM 0 HA LYS A 49 16.188 -7.769 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.132 -9.596 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.399 -8.172 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.371 -7.073 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.027 -7.403 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.399 -8.780 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.283 -9.885 0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.250 -7.649 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.633 -8.880 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 22.555 -9.425 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.385 -10.576 -0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.014 -9.382 -1.560 1.00 0.00 H new ATOM 740 N THR A 50 16.209 -10.605 -1.614 1.00 0.00 N ATOM 741 CA THR A 50 15.534 -11.899 -1.579 1.00 0.00 C ATOM 742 C THR A 50 14.137 -11.776 -2.188 1.00 0.00 C ATOM 743 O THR A 50 13.868 -10.843 -2.944 1.00 0.00 O ATOM 744 CB THR A 50 15.447 -12.419 -0.141 1.00 0.00 C ATOM 745 OG1 THR A 50 16.431 -11.807 0.675 1.00 0.00 O ATOM 746 CG2 THR A 50 15.631 -13.918 -0.035 1.00 0.00 C ATOM 0 H THR A 50 17.115 -10.615 -2.082 1.00 0.00 H new ATOM 0 HA THR A 50 16.112 -12.612 -2.167 1.00 0.00 H new ATOM 0 HB THR A 50 14.442 -12.167 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.358 -12.151 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 50 15.558 -14.221 1.010 1.00 0.00 H new ATOM 0 HG22 THR A 50 14.856 -14.421 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.611 -14.193 -0.425 1.00 0.00 H new ATOM 754 N GLY A 51 13.245 -12.707 -1.853 1.00 0.00 N ATOM 755 CA GLY A 51 11.890 -12.651 -2.381 1.00 0.00 C ATOM 756 C GLY A 51 11.255 -11.283 -2.189 1.00 0.00 C ATOM 757 O GLY A 51 10.354 -10.895 -2.933 1.00 0.00 O ATOM 0 H GLY A 51 13.434 -13.493 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.905 -12.897 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.278 -13.406 -1.888 1.00 0.00 H new ATOM 761 N VAL A 52 11.738 -10.556 -1.185 1.00 0.00 N ATOM 762 CA VAL A 52 11.237 -9.220 -0.875 1.00 0.00 C ATOM 763 C VAL A 52 11.963 -8.165 -1.712 1.00 0.00 C ATOM 764 O VAL A 52 13.100 -7.805 -1.411 1.00 0.00 O ATOM 765 CB VAL A 52 11.446 -8.885 0.618 1.00 0.00 C ATOM 766 CG1 VAL A 52 10.513 -7.774 1.055 1.00 0.00 C ATOM 767 CG2 VAL A 52 11.269 -10.126 1.488 1.00 0.00 C ATOM 0 H VAL A 52 12.484 -10.874 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 52 10.172 -9.211 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 52 12.470 -8.534 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.678 -7.555 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.710 -6.880 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.480 -8.087 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.422 -9.862 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.262 -10.522 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.997 -10.883 1.195 1.00 0.00 H new ATOM 777 N ASP A 53 11.310 -7.672 -2.759 1.00 0.00 N ATOM 778 CA ASP A 53 11.919 -6.660 -3.623 1.00 0.00 C ATOM 779 C ASP A 53 11.677 -5.256 -3.075 1.00 0.00 C ATOM 780 O ASP A 53 10.601 -4.691 -3.254 1.00 0.00 O ATOM 781 CB ASP A 53 11.363 -6.767 -5.045 1.00 0.00 C ATOM 782 CG ASP A 53 11.794 -8.043 -5.741 1.00 0.00 C ATOM 783 OD1 ASP A 53 11.509 -9.136 -5.208 1.00 0.00 O ATOM 784 OD2 ASP A 53 12.416 -7.949 -6.820 1.00 0.00 O ATOM 0 H ASP A 53 10.367 -7.952 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 53 12.994 -6.841 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.274 -6.725 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.696 -5.908 -5.628 1.00 0.00 H new ATOM 789 N ILE A 54 12.680 -4.698 -2.399 1.00 0.00 N ATOM 790 CA ILE A 54 12.552 -3.364 -1.819 1.00 0.00 C ATOM 791 C ILE A 54 13.399 -2.323 -2.536 1.00 0.00 C ATOM 792 O ILE A 54 14.465 -2.614 -3.078 1.00 0.00 O ATOM 793 CB ILE A 54 12.944 -3.348 -0.324 1.00 0.00 C ATOM 794 CG1 ILE A 54 11.984 -4.204 0.500 1.00 0.00 C ATOM 795 CG2 ILE A 54 12.968 -1.918 0.216 1.00 0.00 C ATOM 796 CD1 ILE A 54 12.507 -4.536 1.882 1.00 0.00 C ATOM 0 H ILE A 54 13.583 -5.145 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 54 11.499 -3.107 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 54 13.945 -3.770 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.033 -3.680 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.784 -5.131 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.246 -1.932 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.695 -1.330 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.980 -1.472 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.775 -5.146 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.443 -5.088 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.680 -3.614 2.437 1.00 0.00 H new ATOM 808 N GLN A 55 12.914 -1.092 -2.470 1.00 0.00 N ATOM 809 CA GLN A 55 13.591 0.058 -3.035 1.00 0.00 C ATOM 810 C GLN A 55 13.466 1.199 -2.034 1.00 0.00 C ATOM 811 O GLN A 55 12.586 2.057 -2.140 1.00 0.00 O ATOM 812 CB GLN A 55 13.004 0.434 -4.405 1.00 0.00 C ATOM 813 CG GLN A 55 13.230 1.886 -4.815 1.00 0.00 C ATOM 814 CD GLN A 55 14.640 2.370 -4.526 1.00 0.00 C ATOM 815 OE1 GLN A 55 15.530 1.578 -4.215 1.00 0.00 O ATOM 816 NE2 GLN A 55 14.849 3.677 -4.629 1.00 0.00 N ATOM 0 H GLN A 55 12.029 -0.865 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 55 14.643 -0.168 -3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.440 -0.216 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.932 0.236 -4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.026 1.993 -5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.518 2.522 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.082 4.297 -4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.776 4.061 -4.448 1.00 0.00 H new ATOM 825 N CYS A 56 14.333 1.158 -1.032 1.00 0.00 N ATOM 826 CA CYS A 56 14.330 2.145 0.037 1.00 0.00 C ATOM 827 C CYS A 56 14.751 3.521 -0.480 1.00 0.00 C ATOM 828 O CYS A 56 15.910 3.740 -0.832 1.00 0.00 O ATOM 829 CB CYS A 56 15.233 1.667 1.179 1.00 0.00 C ATOM 830 SG CYS A 56 17.017 1.692 0.805 1.00 0.00 S ATOM 0 H CYS A 56 15.055 0.443 -0.938 1.00 0.00 H new ATOM 0 HA CYS A 56 13.315 2.251 0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.051 2.292 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 56 14.947 0.650 1.448 1.00 0.00 H new ATOM 835 N CYS A 57 13.789 4.444 -0.538 1.00 0.00 N ATOM 836 CA CYS A 57 14.049 5.794 -1.028 1.00 0.00 C ATOM 837 C CYS A 57 13.281 6.836 -0.223 1.00 0.00 C ATOM 838 O CYS A 57 12.266 6.536 0.407 1.00 0.00 O ATOM 839 CB CYS A 57 13.674 5.899 -2.508 1.00 0.00 C ATOM 840 SG CYS A 57 12.042 5.199 -2.914 1.00 0.00 S ATOM 0 H CYS A 57 12.824 4.279 -0.251 1.00 0.00 H new ATOM 0 HA CYS A 57 15.114 5.993 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.691 6.948 -2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.434 5.390 -3.101 1.00 0.00 H new ATOM 845 N SER A 58 13.784 8.064 -0.254 1.00 0.00 N ATOM 846 CA SER A 58 13.163 9.173 0.464 1.00 0.00 C ATOM 847 C SER A 58 12.236 9.968 -0.451 1.00 0.00 C ATOM 848 O SER A 58 12.309 11.196 -0.513 1.00 0.00 O ATOM 849 CB SER A 58 14.238 10.095 1.044 1.00 0.00 C ATOM 850 OG SER A 58 15.123 10.544 0.031 1.00 0.00 O ATOM 0 H SER A 58 14.625 8.319 -0.772 1.00 0.00 H new ATOM 0 HA SER A 58 12.569 8.758 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.766 10.952 1.526 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.799 9.566 1.814 1.00 0.00 H new ATOM 0 HG SER A 58 15.800 11.133 0.425 1.00 0.00 H new ATOM 856 N THR A 59 11.364 9.260 -1.161 1.00 0.00 N ATOM 857 CA THR A 59 10.422 9.899 -2.073 1.00 0.00 C ATOM 858 C THR A 59 11.160 10.648 -3.179 1.00 0.00 C ATOM 859 O THR A 59 12.373 10.507 -3.334 1.00 0.00 O ATOM 860 CB THR A 59 9.506 10.860 -1.310 1.00 0.00 C ATOM 861 OG1 THR A 59 9.621 10.660 0.087 1.00 0.00 O ATOM 862 CG2 THR A 59 8.045 10.706 -1.676 1.00 0.00 C ATOM 0 H THR A 59 11.290 8.243 -1.123 1.00 0.00 H new ATOM 0 HA THR A 59 9.813 9.119 -2.530 1.00 0.00 H new ATOM 0 HB THR A 59 9.834 11.860 -1.593 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.115 9.862 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.449 11.415 -1.101 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.914 10.901 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.718 9.691 -1.450 1.00 0.00 H new ATOM 870 N ASP A 60 10.418 11.443 -3.947 1.00 0.00 N ATOM 871 CA ASP A 60 10.996 12.219 -5.044 1.00 0.00 C ATOM 872 C ASP A 60 11.315 11.334 -6.251 1.00 0.00 C ATOM 873 O ASP A 60 11.839 11.814 -7.256 1.00 0.00 O ATOM 874 CB ASP A 60 12.265 12.941 -4.581 1.00 0.00 C ATOM 875 CG ASP A 60 12.426 14.303 -5.228 1.00 0.00 C ATOM 876 OD1 ASP A 60 11.418 15.033 -5.334 1.00 0.00 O ATOM 877 OD2 ASP A 60 13.560 14.639 -5.629 1.00 0.00 O ATOM 0 H ASP A 60 9.412 11.567 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 60 10.253 12.956 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.238 13.058 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.135 12.326 -4.814 1.00 0.00 H new ATOM 882 N ASN A 61 11.000 10.042 -6.151 1.00 0.00 N ATOM 883 CA ASN A 61 11.259 9.105 -7.240 1.00 0.00 C ATOM 884 C ASN A 61 10.908 7.677 -6.825 1.00 0.00 C ATOM 885 O ASN A 61 11.598 6.727 -7.195 1.00 0.00 O ATOM 886 CB ASN A 61 12.728 9.178 -7.669 1.00 0.00 C ATOM 887 CG ASN A 61 12.886 9.490 -9.144 1.00 0.00 C ATOM 888 OD1 ASN A 61 13.759 10.264 -9.537 1.00 0.00 O ATOM 889 ND2 ASN A 61 12.040 8.886 -9.971 1.00 0.00 N ATOM 0 H ASN A 61 10.566 9.623 -5.328 1.00 0.00 H new ATOM 0 HA ASN A 61 10.628 9.385 -8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 61 13.237 9.943 -7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.216 8.229 -7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 61 12.099 9.056 -10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.331 8.252 -9.602 1.00 0.00 H new ATOM 896 N CYS A 62 9.831 7.529 -6.058 1.00 0.00 N ATOM 897 CA CYS A 62 9.398 6.214 -5.599 1.00 0.00 C ATOM 898 C CYS A 62 8.013 5.873 -6.148 1.00 0.00 C ATOM 899 O CYS A 62 7.894 5.140 -7.129 1.00 0.00 O ATOM 900 CB CYS A 62 9.397 6.155 -4.068 1.00 0.00 C ATOM 901 SG CYS A 62 10.904 6.835 -3.301 1.00 0.00 S ATOM 0 H CYS A 62 9.244 8.301 -5.742 1.00 0.00 H new ATOM 0 HA CYS A 62 10.104 5.474 -5.975 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.532 6.703 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.278 5.118 -3.754 1.00 0.00 H new ATOM 906 N ASN A 63 6.968 6.407 -5.519 1.00 0.00 N ATOM 907 CA ASN A 63 5.606 6.148 -5.966 1.00 0.00 C ATOM 908 C ASN A 63 4.633 7.189 -5.409 1.00 0.00 C ATOM 909 O ASN A 63 3.626 6.842 -4.791 1.00 0.00 O ATOM 910 CB ASN A 63 5.172 4.743 -5.549 1.00 0.00 C ATOM 911 CG ASN A 63 4.281 4.084 -6.584 1.00 0.00 C ATOM 912 OD1 ASN A 63 3.191 4.572 -6.881 1.00 0.00 O ATOM 913 ND2 ASN A 63 4.742 2.969 -7.138 1.00 0.00 N ATOM 0 H ASN A 63 7.039 7.017 -4.705 1.00 0.00 H new ATOM 0 HA ASN A 63 5.589 6.218 -7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.055 4.125 -5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.642 4.796 -4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.186 2.481 -7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.652 2.600 -6.861 1.00 0.00 H new ATOM 920 N PRO A 64 4.920 8.485 -5.625 1.00 0.00 N ATOM 921 CA PRO A 64 4.069 9.577 -5.147 1.00 0.00 C ATOM 922 C PRO A 64 2.888 9.852 -6.076 1.00 0.00 C ATOM 923 O PRO A 64 1.929 10.523 -5.695 1.00 0.00 O ATOM 924 CB PRO A 64 5.026 10.765 -5.145 1.00 0.00 C ATOM 925 CG PRO A 64 5.947 10.493 -6.284 1.00 0.00 C ATOM 926 CD PRO A 64 6.101 8.994 -6.355 1.00 0.00 C ATOM 0 HA PRO A 64 3.618 9.356 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.493 11.706 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.569 10.838 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.540 10.887 -7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.912 10.976 -6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.117 8.642 -7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.031 8.665 -5.891 1.00 0.00 H new ATOM 934 N PHE A 65 2.969 9.338 -7.301 1.00 0.00 N ATOM 935 CA PHE A 65 1.914 9.536 -8.291 1.00 0.00 C ATOM 936 C PHE A 65 0.542 9.144 -7.740 1.00 0.00 C ATOM 937 O PHE A 65 0.425 8.209 -6.948 1.00 0.00 O ATOM 938 CB PHE A 65 2.220 8.729 -9.553 1.00 0.00 C ATOM 939 CG PHE A 65 2.383 9.578 -10.780 1.00 0.00 C ATOM 940 CD1 PHE A 65 3.165 10.721 -10.748 1.00 0.00 C ATOM 941 CD2 PHE A 65 1.754 9.233 -11.965 1.00 0.00 C ATOM 942 CE1 PHE A 65 3.317 11.505 -11.876 1.00 0.00 C ATOM 943 CE2 PHE A 65 1.901 10.013 -13.096 1.00 0.00 C ATOM 944 CZ PHE A 65 2.684 11.150 -13.051 1.00 0.00 C ATOM 0 H PHE A 65 3.756 8.780 -7.632 1.00 0.00 H new ATOM 0 HA PHE A 65 1.884 10.598 -8.537 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.132 8.154 -9.395 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.416 8.012 -9.721 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.662 11.003 -9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.142 8.344 -12.005 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.930 12.394 -11.839 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.405 9.734 -14.014 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.801 11.761 -13.934 1.00 0.00 H new ATOM 954 N PRO A 66 -0.518 9.862 -8.157 1.00 0.00 N ATOM 955 CA PRO A 66 -1.886 9.593 -7.708 1.00 0.00 C ATOM 956 C PRO A 66 -2.530 8.429 -8.456 1.00 0.00 C ATOM 957 O PRO A 66 -3.396 7.738 -7.920 1.00 0.00 O ATOM 958 CB PRO A 66 -2.609 10.897 -8.036 1.00 0.00 C ATOM 959 CG PRO A 66 -1.909 11.410 -9.246 1.00 0.00 C ATOM 960 CD PRO A 66 -0.466 10.998 -9.101 1.00 0.00 C ATOM 0 HA PRO A 66 -1.926 9.307 -6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.668 10.727 -8.231 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.547 11.605 -7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.344 10.993 -10.154 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.999 12.494 -9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.036 10.704 -10.058 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.146 11.813 -8.714 1.00 0.00 H new ATOM 968 N THR A 67 -2.105 8.221 -9.699 1.00 0.00 N ATOM 969 CA THR A 67 -2.644 7.142 -10.523 1.00 0.00 C ATOM 970 C THR A 67 -1.928 5.825 -10.241 1.00 0.00 C ATOM 971 O THR A 67 -0.698 5.763 -10.249 1.00 0.00 O ATOM 972 CB THR A 67 -2.520 7.493 -12.007 1.00 0.00 C ATOM 973 OG1 THR A 67 -1.167 7.723 -12.357 1.00 0.00 O ATOM 974 CG2 THR A 67 -3.312 8.720 -12.401 1.00 0.00 C ATOM 0 H THR A 67 -1.389 8.785 -10.158 1.00 0.00 H new ATOM 0 HA THR A 67 -3.697 7.022 -10.270 1.00 0.00 H new ATOM 0 HB THR A 67 -2.925 6.633 -12.541 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.582 7.233 -11.742 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.180 8.912 -13.466 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.369 8.554 -12.191 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.959 9.579 -11.831 1.00 0.00 H new ATOM 982 N ARG A 68 -2.706 4.775 -9.995 1.00 0.00 N ATOM 983 CA ARG A 68 -2.145 3.457 -9.712 1.00 0.00 C ATOM 984 C ARG A 68 -3.030 2.349 -10.275 1.00 0.00 C ATOM 985 O ARG A 68 -2.539 1.408 -10.899 1.00 0.00 O ATOM 986 CB ARG A 68 -1.982 3.260 -8.204 1.00 0.00 C ATOM 987 CG ARG A 68 -1.230 4.386 -7.517 1.00 0.00 C ATOM 988 CD ARG A 68 -2.184 5.428 -6.958 1.00 0.00 C ATOM 989 NE ARG A 68 -2.776 5.006 -5.692 1.00 0.00 N ATOM 990 CZ ARG A 68 -3.846 5.579 -5.147 1.00 0.00 C ATOM 991 NH1 ARG A 68 -4.441 6.601 -5.750 1.00 0.00 N ATOM 992 NH2 ARG A 68 -4.323 5.131 -3.994 1.00 0.00 N ATOM 0 H ARG A 68 -3.725 4.811 -9.986 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.169 3.403 -10.194 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.969 3.165 -7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.457 2.322 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.620 3.979 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.549 4.857 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.650 6.367 -6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.976 5.620 -7.682 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.344 4.226 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.078 6.952 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.261 7.036 -5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.870 4.347 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.143 5.570 -3.576 1.00 0.00 H new ATOM 1006 N LYS A 69 -4.334 2.461 -10.038 1.00 0.00 N ATOM 1007 CA LYS A 69 -5.290 1.463 -10.508 1.00 0.00 C ATOM 1008 C LYS A 69 -5.223 1.303 -12.028 1.00 0.00 C ATOM 1009 O LYS A 69 -4.219 1.644 -12.651 1.00 0.00 O ATOM 1010 CB LYS A 69 -6.706 1.846 -10.072 1.00 0.00 C ATOM 1011 CG LYS A 69 -7.532 0.664 -9.590 1.00 0.00 C ATOM 1012 CD LYS A 69 -8.430 1.050 -8.427 1.00 0.00 C ATOM 1013 CE LYS A 69 -9.686 0.196 -8.386 1.00 0.00 C ATOM 1014 NZ LYS A 69 -9.474 -1.067 -7.626 1.00 0.00 N ATOM 0 H LYS A 69 -4.753 3.235 -9.522 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.028 0.504 -10.061 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.644 2.586 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.219 2.321 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.141 0.285 -10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.868 -0.145 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.883 0.939 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.706 2.101 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.496 0.764 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.998 -0.040 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.745 -1.878 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.471 -1.150 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.057 -1.056 -6.765 1.00 0.00 H new ATOM 1028 N ARG A 70 -6.298 0.770 -12.616 1.00 0.00 N ATOM 1029 CA ARG A 70 -6.366 0.549 -14.063 1.00 0.00 C ATOM 1030 C ARG A 70 -5.711 1.690 -14.847 1.00 0.00 C ATOM 1031 O ARG A 70 -4.821 1.452 -15.664 1.00 0.00 O ATOM 1032 CB ARG A 70 -7.820 0.370 -14.517 1.00 0.00 C ATOM 1033 CG ARG A 70 -8.662 -0.471 -13.570 1.00 0.00 C ATOM 1034 CD ARG A 70 -9.961 -0.917 -14.222 1.00 0.00 C ATOM 1035 NE ARG A 70 -10.592 -2.014 -13.491 1.00 0.00 N ATOM 1036 CZ ARG A 70 -11.740 -2.584 -13.853 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -12.385 -2.164 -14.935 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -12.244 -3.577 -13.132 1.00 0.00 N ATOM 0 H ARG A 70 -7.136 0.483 -12.110 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.810 -0.365 -14.274 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.281 1.352 -14.623 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.828 -0.093 -15.504 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.093 -1.346 -13.256 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.884 0.104 -12.671 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.649 -0.073 -14.274 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.763 -1.231 -15.247 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.126 -2.364 -12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.002 -1.401 -15.493 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.264 -2.604 -15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.752 -3.904 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.123 -4.013 -13.409 1.00 0.00 H new ATOM 1052 N PRO A 71 -6.133 2.947 -14.612 1.00 0.00 N ATOM 1053 CA PRO A 71 -5.564 4.106 -15.309 1.00 0.00 C ATOM 1054 C PRO A 71 -4.113 4.361 -14.914 1.00 0.00 C ATOM 1055 O PRO A 71 -3.835 4.427 -13.699 1.00 0.00 O ATOM 1056 CB PRO A 71 -6.451 5.270 -14.859 1.00 0.00 C ATOM 1057 CG PRO A 71 -7.018 4.833 -13.554 1.00 0.00 C ATOM 1058 CD PRO A 71 -7.184 3.343 -13.654 1.00 0.00 C ATOM 1059 OXT PRO A 71 -3.268 4.492 -15.824 1.00 0.00 O ATOM 0 HA PRO A 71 -5.547 3.961 -16.389 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.874 6.189 -14.752 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.239 5.471 -15.585 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.353 5.097 -12.731 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.974 5.320 -13.361 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.050 2.858 -12.687 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.177 3.072 -14.012 1.00 0.00 H new ATOM 1068 N TYR B 181 -28.337 -4.363 6.182 1.00 0.00 N ATOM 1069 CA TYR B 181 -29.328 -4.855 5.189 1.00 0.00 C ATOM 1070 C TYR B 181 -28.654 -5.689 4.105 1.00 0.00 C ATOM 1071 O TYR B 181 -29.006 -6.849 3.890 1.00 0.00 O ATOM 1072 CB TYR B 181 -30.033 -3.648 4.566 1.00 0.00 C ATOM 1073 CG TYR B 181 -31.525 -3.835 4.406 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -32.329 -4.130 5.501 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -32.130 -3.717 3.161 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -33.693 -4.302 5.359 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -33.493 -3.887 3.011 1.00 0.00 C ATOM 1078 CZ TYR B 181 -34.270 -4.179 4.113 1.00 0.00 C ATOM 1079 OH TYR B 181 -35.627 -4.349 3.967 1.00 0.00 O ATOM 0 HA TYR B 181 -30.052 -5.495 5.692 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -29.850 -2.771 5.186 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -29.594 -3.445 3.589 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -31.880 -4.226 6.479 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -31.525 -3.489 2.296 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -34.304 -4.532 6.220 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -33.948 -3.792 2.036 1.00 0.00 H new ATOM 0 HH TYR B 181 -35.873 -4.228 3.026 1.00 0.00 H new ATOM 1091 N ARG B 182 -27.682 -5.090 3.425 1.00 0.00 N ATOM 1092 CA ARG B 182 -26.956 -5.777 2.363 1.00 0.00 C ATOM 1093 C ARG B 182 -25.491 -5.349 2.345 1.00 0.00 C ATOM 1094 O ARG B 182 -24.999 -4.747 3.299 1.00 0.00 O ATOM 1095 CB ARG B 182 -27.605 -5.491 1.007 1.00 0.00 C ATOM 1096 CG ARG B 182 -27.658 -6.703 0.091 1.00 0.00 C ATOM 1097 CD ARG B 182 -28.932 -7.506 0.301 1.00 0.00 C ATOM 1098 NE ARG B 182 -28.688 -8.945 0.241 1.00 0.00 N ATOM 1099 CZ ARG B 182 -29.643 -9.851 0.043 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -30.905 -9.471 -0.114 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -29.335 -11.140 0.001 1.00 0.00 N ATOM 0 H ARG B 182 -27.379 -4.130 3.590 1.00 0.00 H new ATOM 0 HA ARG B 182 -26.999 -6.849 2.557 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -28.618 -5.123 1.169 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -27.052 -4.694 0.510 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -27.599 -6.378 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -26.792 -7.338 0.276 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -29.365 -7.252 1.268 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -29.664 -7.230 -0.458 1.00 0.00 H new ATOM 0 HE ARG B 182 -27.730 -9.275 0.358 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -31.147 -8.481 -0.083 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -31.633 -10.169 -0.265 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -28.367 -11.437 0.120 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -30.067 -11.834 -0.151 1.00 0.00 H new ATOM 1115 N GLY B 183 -24.800 -5.662 1.253 1.00 0.00 N ATOM 1116 CA GLY B 183 -23.398 -5.302 1.132 1.00 0.00 C ATOM 1117 C GLY B 183 -23.157 -3.820 1.346 1.00 0.00 C ATOM 1118 O GLY B 183 -23.459 -3.003 0.476 1.00 0.00 O ATOM 0 H GLY B 183 -25.186 -6.158 0.450 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -22.817 -5.870 1.859 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -23.038 -5.586 0.143 1.00 0.00 H new ATOM 1122 N TRP B 184 -22.611 -3.474 2.507 1.00 0.00 N ATOM 1123 CA TRP B 184 -22.328 -2.080 2.833 1.00 0.00 C ATOM 1124 C TRP B 184 -20.907 -1.711 2.420 1.00 0.00 C ATOM 1125 O TRP B 184 -20.701 -0.967 1.461 1.00 0.00 O ATOM 1126 CB TRP B 184 -22.519 -1.815 4.333 1.00 0.00 C ATOM 1127 CG TRP B 184 -23.329 -2.861 5.039 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -24.674 -2.839 5.272 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -22.843 -4.084 5.605 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -25.054 -3.974 5.948 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -23.948 -4.754 6.163 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -21.581 -4.678 5.692 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -23.828 -5.987 6.800 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -21.462 -5.902 6.324 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -22.580 -6.545 6.870 1.00 0.00 C ATOM 0 H TRP B 184 -22.356 -4.139 3.238 1.00 0.00 H new ATOM 0 HA TRP B 184 -23.032 -1.459 2.279 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -21.540 -1.747 4.807 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -23.003 -0.847 4.462 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -25.342 -2.046 4.969 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -26.005 -4.199 6.242 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -20.714 -4.189 5.273 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -24.688 -6.484 7.223 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -20.491 -6.370 6.398 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -22.455 -7.501 7.356 1.00 0.00 H new ATOM 1146 N LYS B 185 -19.930 -2.238 3.151 1.00 0.00 N ATOM 1147 CA LYS B 185 -18.528 -1.967 2.860 1.00 0.00 C ATOM 1148 C LYS B 185 -17.968 -2.997 1.888 1.00 0.00 C ATOM 1149 O LYS B 185 -18.484 -4.110 1.778 1.00 0.00 O ATOM 1150 CB LYS B 185 -17.704 -1.970 4.150 1.00 0.00 C ATOM 1151 CG LYS B 185 -16.221 -1.713 3.926 1.00 0.00 C ATOM 1152 CD LYS B 185 -15.965 -0.278 3.488 1.00 0.00 C ATOM 1153 CE LYS B 185 -14.764 0.320 4.204 1.00 0.00 C ATOM 1154 NZ LYS B 185 -14.794 1.809 4.191 1.00 0.00 N ATOM 0 H LYS B 185 -20.084 -2.855 3.949 1.00 0.00 H new ATOM 0 HA LYS B 185 -18.464 -0.981 2.399 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -18.098 -1.210 4.825 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -17.826 -2.932 4.647 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -15.672 -1.918 4.845 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -15.842 -2.399 3.169 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -15.798 -0.250 2.411 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -16.848 0.328 3.690 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -14.743 -0.034 5.235 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -13.847 -0.029 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -13.838 2.177 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -15.124 2.141 3.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -15.441 2.150 4.931 1.00 0.00 H new ATOM 1168 N HIS B 186 -16.906 -2.620 1.189 1.00 0.00 N ATOM 1169 CA HIS B 186 -16.268 -3.509 0.230 1.00 0.00 C ATOM 1170 C HIS B 186 -14.760 -3.553 0.454 1.00 0.00 C ATOM 1171 O HIS B 186 -14.109 -2.516 0.579 1.00 0.00 O ATOM 1172 CB HIS B 186 -16.572 -3.060 -1.202 1.00 0.00 C ATOM 1173 CG HIS B 186 -16.566 -1.572 -1.384 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -15.499 -0.882 -1.918 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -17.509 -0.642 -1.101 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -15.784 0.407 -1.956 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -16.998 0.579 -1.467 1.00 0.00 N ATOM 0 H HIS B 186 -16.468 -1.702 1.269 1.00 0.00 H new ATOM 0 HA HIS B 186 -16.671 -4.511 0.378 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -15.837 -3.502 -1.875 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -17.547 -3.449 -1.495 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -18.481 -0.826 -0.668 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -15.135 1.187 -2.324 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -17.479 1.474 -1.376 1.00 0.00 H new ATOM 1186 N TRP B 187 -14.211 -4.762 0.495 1.00 0.00 N ATOM 1187 CA TRP B 187 -12.778 -4.946 0.694 1.00 0.00 C ATOM 1188 C TRP B 187 -12.040 -4.697 -0.615 1.00 0.00 C ATOM 1189 O TRP B 187 -11.763 -5.626 -1.374 1.00 0.00 O ATOM 1190 CB TRP B 187 -12.487 -6.363 1.195 1.00 0.00 C ATOM 1191 CG TRP B 187 -12.681 -6.527 2.671 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -11.703 -6.629 3.618 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -13.928 -6.614 3.370 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -12.265 -6.773 4.863 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -13.630 -6.766 4.738 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -15.269 -6.577 2.974 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -14.621 -6.881 5.708 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -16.252 -6.691 3.939 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -15.924 -6.840 5.292 1.00 0.00 C ATOM 0 H TRP B 187 -14.737 -5.630 0.393 1.00 0.00 H new ATOM 0 HA TRP B 187 -12.433 -4.233 1.443 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -13.136 -7.065 0.671 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -11.460 -6.626 0.940 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -10.642 -6.601 3.417 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -11.750 -6.869 5.738 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -15.532 -6.461 1.933 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -14.371 -6.998 6.752 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -17.291 -6.665 3.644 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -16.715 -6.924 6.022 1.00 0.00 H new ATOM 1210 N VAL B 188 -11.749 -3.430 -0.881 1.00 0.00 N ATOM 1211 CA VAL B 188 -11.071 -3.041 -2.110 1.00 0.00 C ATOM 1212 C VAL B 188 -9.874 -2.137 -1.835 1.00 0.00 C ATOM 1213 O VAL B 188 -9.759 -1.050 -2.402 1.00 0.00 O ATOM 1214 CB VAL B 188 -12.041 -2.301 -3.039 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -11.387 -2.001 -4.381 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -13.319 -3.105 -3.225 1.00 0.00 C ATOM 0 H VAL B 188 -11.973 -2.653 -0.260 1.00 0.00 H new ATOM 0 HA VAL B 188 -10.716 -3.956 -2.584 1.00 0.00 H new ATOM 0 HB VAL B 188 -12.300 -1.350 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -12.095 -1.476 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -10.507 -1.377 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -11.090 -2.935 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -13.996 -2.565 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -13.079 -4.074 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -13.799 -3.254 -2.258 1.00 0.00 H new ATOM 1226 N TYR B 189 -8.983 -2.590 -0.967 1.00 0.00 N ATOM 1227 CA TYR B 189 -7.795 -1.822 -0.625 1.00 0.00 C ATOM 1228 C TYR B 189 -7.056 -1.379 -1.886 1.00 0.00 C ATOM 1229 O TYR B 189 -6.388 -2.184 -2.534 1.00 0.00 O ATOM 1230 CB TYR B 189 -6.884 -2.665 0.280 1.00 0.00 C ATOM 1231 CG TYR B 189 -5.437 -2.743 -0.163 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -4.675 -1.593 -0.337 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -4.833 -3.969 -0.392 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -3.353 -1.666 -0.723 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -3.512 -4.053 -0.782 1.00 0.00 C ATOM 1236 CZ TYR B 189 -2.774 -2.898 -0.944 1.00 0.00 C ATOM 1237 OH TYR B 189 -1.453 -2.973 -1.328 1.00 0.00 O ATOM 0 H TYR B 189 -9.060 -3.486 -0.486 1.00 0.00 H new ATOM 0 HA TYR B 189 -8.093 -0.923 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -6.918 -2.253 1.289 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -7.287 -3.676 0.335 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -5.126 -0.626 -0.167 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -5.406 -4.875 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -2.774 -0.763 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -3.058 -5.017 -0.959 1.00 0.00 H new ATOM 0 HH TYR B 189 -0.898 -3.188 -0.550 1.00 0.00 H new ATOM 1247 N TYR B 190 -7.176 -0.095 -2.226 1.00 0.00 N ATOM 1248 CA TYR B 190 -6.513 0.448 -3.410 1.00 0.00 C ATOM 1249 C TYR B 190 -6.997 1.866 -3.719 1.00 0.00 C ATOM 1250 O TYR B 190 -6.238 2.687 -4.232 1.00 0.00 O ATOM 1251 CB TYR B 190 -6.758 -0.464 -4.620 1.00 0.00 C ATOM 1252 CG TYR B 190 -5.757 -0.303 -5.749 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -4.754 0.663 -5.703 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -5.810 -1.135 -6.861 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -3.838 0.790 -6.731 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -4.899 -1.012 -7.892 1.00 0.00 C ATOM 1257 CZ TYR B 190 -3.916 -0.050 -7.822 1.00 0.00 C ATOM 1258 OH TYR B 190 -3.003 0.070 -8.844 1.00 0.00 O ATOM 0 H TYR B 190 -7.724 0.585 -1.700 1.00 0.00 H new ATOM 0 HA TYR B 190 -5.444 0.493 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -6.743 -1.501 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -7.758 -0.269 -5.008 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -4.691 1.323 -4.851 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -6.578 -1.892 -6.920 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -3.066 1.543 -6.680 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -4.957 -1.667 -8.749 1.00 0.00 H new ATOM 0 HH TYR B 190 -3.197 -0.596 -9.536 1.00 0.00 H new ATOM 1268 N THR B 191 -8.262 2.151 -3.404 1.00 0.00 N ATOM 1269 CA THR B 191 -8.840 3.473 -3.653 1.00 0.00 C ATOM 1270 C THR B 191 -10.360 3.444 -3.520 1.00 0.00 C ATOM 1271 O THR B 191 -11.059 2.938 -4.399 1.00 0.00 O ATOM 1272 CB THR B 191 -8.460 3.980 -5.049 1.00 0.00 C ATOM 1273 OG1 THR B 191 -9.313 5.038 -5.450 1.00 0.00 O ATOM 1274 CG2 THR B 191 -8.528 2.909 -6.115 1.00 0.00 C ATOM 0 H THR B 191 -8.905 1.485 -2.976 1.00 0.00 H new ATOM 0 HA THR B 191 -8.434 4.152 -2.903 1.00 0.00 H new ATOM 0 HB THR B 191 -7.427 4.317 -4.960 1.00 0.00 H new ATOM 0 HG1 THR B 191 -9.053 5.348 -6.342 1.00 0.00 H new ATOM 0 HG21 THR B 191 -8.247 3.336 -7.078 1.00 0.00 H new ATOM 0 HG22 THR B 191 -7.842 2.100 -5.862 1.00 0.00 H new ATOM 0 HG23 THR B 191 -9.544 2.518 -6.174 1.00 0.00 H new ATOM 1282 N CYS B 192 -10.869 3.998 -2.422 1.00 0.00 N ATOM 1283 CA CYS B 192 -12.309 4.042 -2.186 1.00 0.00 C ATOM 1284 C CYS B 192 -12.640 4.637 -0.846 1.00 0.00 C ATOM 1285 O CYS B 192 -13.575 5.425 -0.706 1.00 0.00 O ATOM 1286 CB CYS B 192 -12.930 2.627 -2.215 1.00 0.00 C ATOM 1287 SG CYS B 192 -13.073 1.780 -0.570 1.00 0.00 S ATOM 0 H CYS B 192 -10.307 4.422 -1.684 1.00 0.00 H new ATOM 0 HA CYS B 192 -12.718 4.660 -2.985 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -13.924 2.695 -2.656 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -12.331 2.000 -2.875 1.00 0.00 H new ATOM 1292 N CYS B 193 -11.946 4.142 0.159 1.00 0.00 N ATOM 1293 CA CYS B 193 -12.248 4.503 1.514 1.00 0.00 C ATOM 1294 C CYS B 193 -11.042 4.283 2.426 1.00 0.00 C ATOM 1295 O CYS B 193 -10.064 3.652 2.027 1.00 0.00 O ATOM 1296 CB CYS B 193 -13.428 3.617 1.949 1.00 0.00 C ATOM 1297 SG CYS B 193 -14.399 2.879 0.554 1.00 0.00 S ATOM 0 H CYS B 193 -11.170 3.489 0.055 1.00 0.00 H new ATOM 0 HA CYS B 193 -12.501 5.561 1.585 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -13.047 2.810 2.575 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -14.101 4.210 2.568 1.00 0.00 H new ATOM 1302 N PRO B 194 -11.093 4.788 3.671 1.00 0.00 N ATOM 1303 CA PRO B 194 -9.995 4.623 4.625 1.00 0.00 C ATOM 1304 C PRO B 194 -9.632 3.150 4.814 1.00 0.00 C ATOM 1305 O PRO B 194 -8.772 2.631 4.108 1.00 0.00 O ATOM 1306 CB PRO B 194 -10.533 5.246 5.923 1.00 0.00 C ATOM 1307 CG PRO B 194 -12.009 5.354 5.726 1.00 0.00 C ATOM 1308 CD PRO B 194 -12.215 5.541 4.250 1.00 0.00 C ATOM 0 HA PRO B 194 -9.074 5.098 4.287 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -10.296 4.624 6.786 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -10.088 6.224 6.104 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -12.517 4.457 6.081 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -12.417 6.195 6.287 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -13.178 5.149 3.922 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -12.186 6.593 3.967 1.00 0.00 H new ATOM 1316 N ASP B 195 -10.295 2.475 5.753 1.00 0.00 N ATOM 1317 CA ASP B 195 -10.041 1.058 6.001 1.00 0.00 C ATOM 1318 C ASP B 195 -10.976 0.190 5.158 1.00 0.00 C ATOM 1319 O ASP B 195 -12.181 0.436 5.116 1.00 0.00 O ATOM 1320 CB ASP B 195 -10.221 0.737 7.485 1.00 0.00 C ATOM 1321 CG ASP B 195 -9.297 1.552 8.369 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -8.077 1.283 8.360 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -9.793 2.459 9.069 1.00 0.00 O ATOM 0 H ASP B 195 -11.010 2.886 6.353 1.00 0.00 H new ATOM 0 HA ASP B 195 -9.012 0.839 5.717 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -11.255 0.927 7.772 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -10.034 -0.324 7.650 1.00 0.00 H new ATOM 1328 N THR B 196 -10.426 -0.822 4.488 1.00 0.00 N ATOM 1329 CA THR B 196 -11.232 -1.704 3.660 1.00 0.00 C ATOM 1330 C THR B 196 -12.363 -2.334 4.475 1.00 0.00 C ATOM 1331 O THR B 196 -13.540 -2.146 4.169 1.00 0.00 O ATOM 1332 CB THR B 196 -10.369 -2.800 3.038 1.00 0.00 C ATOM 1333 OG1 THR B 196 -9.110 -2.890 3.686 1.00 0.00 O ATOM 1334 CG2 THR B 196 -10.123 -2.577 1.563 1.00 0.00 C ATOM 0 H THR B 196 -9.431 -1.047 4.505 1.00 0.00 H new ATOM 0 HA THR B 196 -11.669 -1.104 2.862 1.00 0.00 H new ATOM 0 HB THR B 196 -10.929 -3.726 3.167 1.00 0.00 H new ATOM 0 HG1 THR B 196 -8.578 -3.600 3.270 1.00 0.00 H new ATOM 0 HG21 THR B 196 -9.505 -3.385 1.171 1.00 0.00 H new ATOM 0 HG22 THR B 196 -11.076 -2.560 1.034 1.00 0.00 H new ATOM 0 HG23 THR B 196 -9.611 -1.625 1.419 1.00 0.00 H new ATOM 1342 N PRO B 197 -12.015 -3.097 5.530 1.00 0.00 N ATOM 1343 CA PRO B 197 -13.003 -3.759 6.391 1.00 0.00 C ATOM 1344 C PRO B 197 -13.908 -2.764 7.111 1.00 0.00 C ATOM 1345 O PRO B 197 -13.939 -1.581 6.774 1.00 0.00 O ATOM 1346 CB PRO B 197 -12.148 -4.531 7.404 1.00 0.00 C ATOM 1347 CG PRO B 197 -10.812 -3.874 7.368 1.00 0.00 C ATOM 1348 CD PRO B 197 -10.634 -3.378 5.962 1.00 0.00 C ATOM 0 HA PRO B 197 -13.676 -4.393 5.814 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -12.583 -4.485 8.402 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -12.076 -5.585 7.136 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -10.762 -3.051 8.081 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -10.024 -4.577 7.637 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -10.010 -2.485 5.925 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -10.157 -4.126 5.328 1.00 0.00 H new ATOM 1356 N TYR B 198 -14.643 -3.255 8.105 1.00 0.00 N ATOM 1357 CA TYR B 198 -15.550 -2.412 8.876 1.00 0.00 C ATOM 1358 C TYR B 198 -15.139 -2.367 10.344 1.00 0.00 C ATOM 1359 O TYR B 198 -15.185 -1.268 10.936 1.00 0.00 O ATOM 1360 CB TYR B 198 -16.985 -2.929 8.753 1.00 0.00 C ATOM 1361 CG TYR B 198 -18.027 -1.834 8.758 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -17.849 -0.676 8.011 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -19.189 -1.957 9.510 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -18.798 0.328 8.013 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -20.143 -0.957 9.517 1.00 0.00 C ATOM 1366 CZ TYR B 198 -19.943 0.183 8.767 1.00 0.00 C ATOM 1367 OH TYR B 198 -20.891 1.180 8.771 1.00 0.00 O ATOM 0 H TYR B 198 -14.628 -4.233 8.395 1.00 0.00 H new ATOM 0 HA TYR B 198 -15.497 -1.401 8.473 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -17.078 -3.502 7.831 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -17.187 -3.614 9.576 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -16.954 -0.559 7.419 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -19.349 -2.848 10.098 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -18.644 1.222 7.427 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -21.041 -1.068 10.107 1.00 0.00 H new ATOM 0 HH TYR B 198 -21.636 0.920 9.352 1.00 0.00 H new