USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ 137:sc= -6.02! (180deg=-0.784) USER MOD Set 1.2: A 84 MET CE :methyl 177:sc= -10.6! (180deg=-3.54!) USER MOD Set 2.1: A 9 THR OG1 : rot -130:sc= -2.26! USER MOD Set 2.2: A 16 CYS SG : rot 19:sc= -0.156 USER MOD Set 3.1: A 4 ASN : amide:sc= -20.5! C(o=-46!,f=-53!) USER MOD Set 3.2: A 62 ASN : amide:sc= -25! C(o=-46!,f=-54!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.678 (180deg=-3.03!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 115:sc= -1.1 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -3.11! USER MOD Single : A 15 TYR OH : rot 180:sc= -3.04! USER MOD Single : A 18 MET CE :methyl 136:sc= -1.97 (180deg=-5.37!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -12.2! (180deg=-12.8!) USER MOD Single : A 42 MET CE :methyl -170:sc= 0 (180deg=-0.168) USER MOD Single : A 47 LYS NZ :NH3+ -104:sc= -11.9! (180deg=-15.8!) USER MOD Single : A 51 TYR OH : rot 100:sc= -6.12! USER MOD Single : A 54 MET CE :methyl 144:sc= -0.414 (180deg=-1.67!) USER MOD Single : A 72 SER OG : rot -89:sc= 0.259 USER MOD Single : A 81 ASN : amide:sc= -5.44! C(o=-5.4!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.269 -3.044 9.777 1.00 0.00 N ATOM 2 CA MET A 1 -10.670 -2.464 8.542 1.00 0.00 C ATOM 3 C MET A 1 -10.908 -3.394 7.351 1.00 0.00 C ATOM 4 O MET A 1 -10.358 -4.474 7.274 1.00 0.00 O ATOM 5 CB MET A 1 -9.176 -2.349 8.842 1.00 0.00 C ATOM 6 CG MET A 1 -8.439 -1.861 7.594 1.00 0.00 C ATOM 7 SD MET A 1 -6.936 -0.980 8.085 1.00 0.00 S ATOM 8 CE MET A 1 -6.428 -2.116 9.400 1.00 0.00 C ATOM 0 H1 MET A 1 -11.101 -2.403 10.579 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.293 -3.167 9.641 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.832 -3.967 9.974 1.00 0.00 H new ATOM 0 HA MET A 1 -11.109 -1.500 8.284 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.013 -1.656 9.667 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.782 -3.316 9.155 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.185 -2.707 6.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.084 -1.204 7.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.353 -2.032 9.558 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.951 -1.863 10.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.673 -3.138 9.113 1.00 0.00 H new ATOM 20 N VAL A 2 -11.725 -2.983 6.420 1.00 0.00 N ATOM 21 CA VAL A 2 -11.999 -3.845 5.235 1.00 0.00 C ATOM 22 C VAL A 2 -10.877 -3.709 4.206 1.00 0.00 C ATOM 23 O VAL A 2 -9.882 -4.405 4.256 1.00 0.00 O ATOM 24 CB VAL A 2 -13.305 -3.317 4.645 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.323 -1.791 4.727 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.404 -3.751 3.178 1.00 0.00 C ATOM 0 H VAL A 2 -12.214 -2.088 6.429 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.064 -4.898 5.510 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.149 -3.718 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.255 -1.415 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.245 -1.482 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.482 -1.386 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.334 -3.377 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.560 -3.345 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.389 -4.839 3.119 1.00 0.00 H new ATOM 36 N VAL A 3 -11.043 -2.818 3.270 1.00 0.00 N ATOM 37 CA VAL A 3 -10.003 -2.622 2.233 1.00 0.00 C ATOM 38 C VAL A 3 -9.020 -1.529 2.655 1.00 0.00 C ATOM 39 O VAL A 3 -9.347 -0.354 2.629 1.00 0.00 O ATOM 40 CB VAL A 3 -10.791 -2.200 0.997 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.835 -1.715 -0.091 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.590 -3.398 0.481 1.00 0.00 C ATOM 0 H VAL A 3 -11.861 -2.215 3.181 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.404 -3.516 2.061 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.469 -1.388 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.406 -1.416 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.265 -0.863 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.151 -2.520 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.156 -3.104 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.907 -4.207 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.277 -3.738 1.256 1.00 0.00 H new ATOM 52 N ASN A 4 -7.813 -1.883 2.993 1.00 0.00 N ATOM 53 CA ASN A 4 -6.820 -0.836 3.371 1.00 0.00 C ATOM 54 C ASN A 4 -5.535 -1.047 2.571 1.00 0.00 C ATOM 55 O ASN A 4 -4.768 -1.949 2.831 1.00 0.00 O ATOM 56 CB ASN A 4 -6.561 -1.090 4.859 1.00 0.00 C ATOM 57 CG ASN A 4 -5.848 0.113 5.471 1.00 0.00 C ATOM 58 OD1 ASN A 4 -5.057 -0.031 6.384 1.00 0.00 O ATOM 59 ND2 ASN A 4 -6.091 1.303 4.999 1.00 0.00 N ATOM 0 H ASN A 4 -7.471 -2.843 3.025 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.167 0.178 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.504 -1.268 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.954 -1.987 4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.618 2.115 5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.754 1.422 4.233 1.00 0.00 H new ATOM 66 N ILE A 5 -5.298 -0.204 1.618 1.00 0.00 N ATOM 67 CA ILE A 5 -4.065 -0.315 0.813 1.00 0.00 C ATOM 68 C ILE A 5 -3.282 0.990 0.857 1.00 0.00 C ATOM 69 O ILE A 5 -3.857 2.054 0.717 1.00 0.00 O ATOM 70 CB ILE A 5 -4.519 -0.667 -0.608 1.00 0.00 C ATOM 71 CG1 ILE A 5 -6.042 -0.797 -0.636 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.889 -2.005 -1.024 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.461 -2.134 -0.018 1.00 0.00 C ATOM 0 H ILE A 5 -5.914 0.567 1.360 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.392 -1.081 1.198 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.206 0.117 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.496 0.027 -0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.403 -0.732 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.209 -2.259 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.803 -1.919 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.207 -2.787 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.547 -2.221 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.020 -2.952 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.115 -2.182 1.014 1.00 0.00 H new ATOM 85 N GLU A 6 -1.995 0.946 0.983 1.00 0.00 N ATOM 86 CA GLU A 6 -1.267 2.227 0.977 1.00 0.00 C ATOM 87 C GLU A 6 -0.121 2.172 -0.030 1.00 0.00 C ATOM 88 O GLU A 6 0.913 1.562 0.182 1.00 0.00 O ATOM 89 CB GLU A 6 -0.677 2.317 2.403 1.00 0.00 C ATOM 90 CG GLU A 6 -0.571 3.780 2.841 1.00 0.00 C ATOM 91 CD GLU A 6 -0.719 3.879 4.363 1.00 0.00 C ATOM 92 OE1 GLU A 6 -1.479 3.103 4.916 1.00 0.00 O ATOM 93 OE2 GLU A 6 -0.070 4.731 4.947 1.00 0.00 O ATOM 0 H GLU A 6 -1.430 0.103 1.087 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.903 3.071 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.308 1.766 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.308 1.851 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.389 4.193 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.344 4.372 2.352 1.00 0.00 H new ATOM 100 N VAL A 7 -0.273 2.862 -1.122 1.00 0.00 N ATOM 101 CA VAL A 7 0.791 2.834 -2.160 1.00 0.00 C ATOM 102 C VAL A 7 1.663 4.052 -1.956 1.00 0.00 C ATOM 103 O VAL A 7 1.266 5.184 -2.136 1.00 0.00 O ATOM 104 CB VAL A 7 0.049 2.974 -3.514 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.192 2.081 -3.541 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.383 4.437 -3.722 1.00 0.00 C ATOM 0 H VAL A 7 -1.083 3.442 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 7 1.400 1.931 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 7 0.727 2.669 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.700 2.193 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.895 1.041 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.867 2.372 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.904 4.531 -4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.049 4.738 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.498 5.079 -3.725 1.00 0.00 H new ATOM 116 N PHE A 8 2.869 3.808 -1.504 1.00 0.00 N ATOM 117 CA PHE A 8 3.784 4.935 -1.217 1.00 0.00 C ATOM 118 C PHE A 8 5.025 4.840 -2.102 1.00 0.00 C ATOM 119 O PHE A 8 6.027 4.262 -1.728 1.00 0.00 O ATOM 120 CB PHE A 8 4.147 4.753 0.269 1.00 0.00 C ATOM 121 CG PHE A 8 5.500 5.356 0.563 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.599 6.700 0.928 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.655 4.567 0.480 1.00 0.00 C ATOM 124 CE1 PHE A 8 6.851 7.259 1.206 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.908 5.127 0.760 1.00 0.00 C ATOM 126 CZ PHE A 8 8.003 6.473 1.123 1.00 0.00 C ATOM 0 H PHE A 8 3.250 2.879 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 8 3.339 5.910 -1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.389 5.224 0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.153 3.692 0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.709 7.308 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.579 3.527 0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.927 8.300 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.799 4.520 0.695 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.968 6.906 1.340 1.00 0.00 H new ATOM 136 N THR A 9 4.976 5.440 -3.256 1.00 0.00 N ATOM 137 CA THR A 9 6.156 5.416 -4.166 1.00 0.00 C ATOM 138 C THR A 9 6.611 6.843 -4.454 1.00 0.00 C ATOM 139 O THR A 9 7.661 7.268 -4.016 1.00 0.00 O ATOM 140 CB THR A 9 5.656 4.737 -5.445 1.00 0.00 C ATOM 141 OG1 THR A 9 4.643 3.794 -5.118 1.00 0.00 O ATOM 142 CG2 THR A 9 6.819 4.019 -6.133 1.00 0.00 C ATOM 0 H THR A 9 4.167 5.949 -3.611 1.00 0.00 H new ATOM 0 HA THR A 9 7.008 4.888 -3.737 1.00 0.00 H new ATOM 0 HB THR A 9 5.247 5.491 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.846 2.935 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.462 3.536 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.594 4.742 -6.386 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.231 3.266 -5.461 1.00 0.00 H new ATOM 150 N SER A 10 5.824 7.595 -5.176 1.00 0.00 N ATOM 151 CA SER A 10 6.216 9.001 -5.473 1.00 0.00 C ATOM 152 C SER A 10 5.155 9.687 -6.336 1.00 0.00 C ATOM 153 O SER A 10 4.425 9.040 -7.062 1.00 0.00 O ATOM 154 CB SER A 10 7.540 8.893 -6.229 1.00 0.00 C ATOM 155 OG SER A 10 7.279 8.794 -7.622 1.00 0.00 O ATOM 0 H SER A 10 4.932 7.298 -5.571 1.00 0.00 H new ATOM 0 HA SER A 10 6.311 9.598 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.161 9.765 -6.025 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.096 8.019 -5.889 1.00 0.00 H new ATOM 0 HG SER A 10 7.632 9.586 -8.078 1.00 0.00 H new ATOM 161 N PRO A 11 5.111 10.988 -6.224 1.00 0.00 N ATOM 162 CA PRO A 11 4.135 11.791 -6.998 1.00 0.00 C ATOM 163 C PRO A 11 4.591 11.931 -8.453 1.00 0.00 C ATOM 164 O PRO A 11 3.791 12.099 -9.352 1.00 0.00 O ATOM 165 CB PRO A 11 4.149 13.144 -6.295 1.00 0.00 C ATOM 166 CG PRO A 11 5.489 13.232 -5.635 1.00 0.00 C ATOM 167 CD PRO A 11 5.961 11.823 -5.370 1.00 0.00 C ATOM 0 HA PRO A 11 3.142 11.342 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.006 13.958 -7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.345 13.215 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.197 13.759 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.421 13.794 -4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.015 11.703 -5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.851 11.558 -4.319 1.00 0.00 H new ATOM 175 N THR A 12 5.873 11.866 -8.690 1.00 0.00 N ATOM 176 CA THR A 12 6.380 11.998 -10.086 1.00 0.00 C ATOM 177 C THR A 12 6.211 10.671 -10.830 1.00 0.00 C ATOM 178 O THR A 12 6.278 10.613 -12.042 1.00 0.00 O ATOM 179 CB THR A 12 7.861 12.347 -9.938 1.00 0.00 C ATOM 180 OG1 THR A 12 7.985 13.664 -9.418 1.00 0.00 O ATOM 181 CG2 THR A 12 8.544 12.271 -11.305 1.00 0.00 C ATOM 0 H THR A 12 6.591 11.727 -7.978 1.00 0.00 H new ATOM 0 HA THR A 12 5.840 12.755 -10.655 1.00 0.00 H new ATOM 0 HB THR A 12 8.335 11.640 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.934 13.889 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.600 12.520 -11.199 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.448 11.261 -11.704 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.072 12.978 -11.988 1.00 0.00 H new ATOM 189 N CYS A 13 5.990 9.606 -10.111 1.00 0.00 N ATOM 190 CA CYS A 13 5.812 8.282 -10.772 1.00 0.00 C ATOM 191 C CYS A 13 4.485 7.656 -10.338 1.00 0.00 C ATOM 192 O CYS A 13 3.746 8.239 -9.569 1.00 0.00 O ATOM 193 CB CYS A 13 6.989 7.435 -10.288 1.00 0.00 C ATOM 194 SG CYS A 13 7.934 6.845 -11.714 1.00 0.00 S ATOM 0 H CYS A 13 5.925 9.595 -9.093 1.00 0.00 H new ATOM 0 HA CYS A 13 5.789 8.360 -11.859 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.630 8.025 -9.632 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.626 6.589 -9.703 1.00 0.00 H new ATOM 0 HG CYS A 13 8.936 6.127 -11.303 1.00 0.00 H new ATOM 200 N PRO A 14 4.227 6.485 -10.849 1.00 0.00 N ATOM 201 CA PRO A 14 2.980 5.768 -10.514 1.00 0.00 C ATOM 202 C PRO A 14 3.142 5.007 -9.194 1.00 0.00 C ATOM 203 O PRO A 14 3.831 4.008 -9.125 1.00 0.00 O ATOM 204 CB PRO A 14 2.810 4.797 -11.676 1.00 0.00 C ATOM 205 CG PRO A 14 4.191 4.574 -12.220 1.00 0.00 C ATOM 206 CD PRO A 14 5.062 5.729 -11.783 1.00 0.00 C ATOM 0 HA PRO A 14 2.124 6.430 -10.383 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.364 3.860 -11.342 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.150 5.210 -12.439 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.597 3.631 -11.853 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.165 4.507 -13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.976 5.378 -11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.363 6.342 -12.632 1.00 0.00 H new ATOM 214 N TYR A 15 2.511 5.467 -8.148 1.00 0.00 N ATOM 215 CA TYR A 15 2.630 4.761 -6.840 1.00 0.00 C ATOM 216 C TYR A 15 2.361 3.263 -7.029 1.00 0.00 C ATOM 217 O TYR A 15 3.076 2.581 -7.736 1.00 0.00 O ATOM 218 CB TYR A 15 1.558 5.393 -5.950 1.00 0.00 C ATOM 219 CG TYR A 15 1.482 6.876 -6.225 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.412 7.745 -5.640 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.482 7.382 -7.063 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.341 9.120 -5.896 1.00 0.00 C ATOM 223 CE2 TYR A 15 0.411 8.757 -7.318 1.00 0.00 C ATOM 224 CZ TYR A 15 1.341 9.626 -6.735 1.00 0.00 C ATOM 225 OH TYR A 15 1.269 10.981 -6.985 1.00 0.00 O ATOM 0 H TYR A 15 1.920 6.298 -8.142 1.00 0.00 H new ATOM 0 HA TYR A 15 3.625 4.855 -6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.591 4.927 -6.141 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.794 5.219 -4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.183 7.355 -4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.235 6.712 -7.513 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.058 9.790 -5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.361 9.147 -7.964 1.00 0.00 H new ATOM 0 HH TYR A 15 0.518 11.163 -7.588 1.00 0.00 H new ATOM 235 N CYS A 16 1.331 2.747 -6.410 1.00 0.00 N ATOM 236 CA CYS A 16 1.015 1.293 -6.564 1.00 0.00 C ATOM 237 C CYS A 16 -0.476 1.040 -6.290 1.00 0.00 C ATOM 238 O CYS A 16 -0.833 0.067 -5.657 1.00 0.00 O ATOM 239 CB CYS A 16 1.876 0.589 -5.516 1.00 0.00 C ATOM 240 SG CYS A 16 3.561 0.399 -6.150 1.00 0.00 S ATOM 0 H CYS A 16 0.695 3.267 -5.805 1.00 0.00 H new ATOM 0 HA CYS A 16 1.219 0.932 -7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.887 1.166 -4.591 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.453 -0.387 -5.278 1.00 0.00 H new ATOM 0 HG CYS A 16 3.750 1.226 -7.135 1.00 0.00 H new ATOM 246 N PRO A 17 -1.294 1.936 -6.774 1.00 0.00 N ATOM 247 CA PRO A 17 -2.763 1.823 -6.578 1.00 0.00 C ATOM 248 C PRO A 17 -3.365 0.761 -7.503 1.00 0.00 C ATOM 249 O PRO A 17 -4.503 0.864 -7.916 1.00 0.00 O ATOM 250 CB PRO A 17 -3.279 3.203 -6.968 1.00 0.00 C ATOM 251 CG PRO A 17 -2.254 3.746 -7.913 1.00 0.00 C ATOM 252 CD PRO A 17 -0.930 3.132 -7.541 1.00 0.00 C ATOM 0 HA PRO A 17 -3.026 1.528 -5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.258 3.139 -7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.389 3.845 -6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.514 3.503 -8.943 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.206 4.833 -7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.347 2.876 -8.425 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.325 3.818 -6.947 1.00 0.00 H new ATOM 260 N MET A 18 -2.620 -0.253 -7.844 1.00 0.00 N ATOM 261 CA MET A 18 -3.172 -1.301 -8.754 1.00 0.00 C ATOM 262 C MET A 18 -3.391 -2.611 -7.998 1.00 0.00 C ATOM 263 O MET A 18 -4.491 -3.123 -7.928 1.00 0.00 O ATOM 264 CB MET A 18 -2.109 -1.484 -9.835 1.00 0.00 C ATOM 265 CG MET A 18 -2.043 -2.955 -10.246 1.00 0.00 C ATOM 266 SD MET A 18 -1.771 -3.072 -12.032 1.00 0.00 S ATOM 267 CE MET A 18 -0.434 -1.857 -12.138 1.00 0.00 C ATOM 0 H MET A 18 -1.659 -0.403 -7.536 1.00 0.00 H new ATOM 0 HA MET A 18 -4.138 -1.013 -9.169 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.345 -0.865 -10.700 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.138 -1.156 -9.464 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.237 -3.457 -9.711 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.969 -3.461 -9.975 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.357 -2.242 -12.782 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.820 -0.926 -12.554 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.032 -1.670 -11.142 1.00 0.00 H new ATOM 277 N ALA A 19 -2.353 -3.161 -7.438 1.00 0.00 N ATOM 278 CA ALA A 19 -2.502 -4.440 -6.691 1.00 0.00 C ATOM 279 C ALA A 19 -3.556 -4.284 -5.600 1.00 0.00 C ATOM 280 O ALA A 19 -4.105 -5.250 -5.106 1.00 0.00 O ATOM 281 CB ALA A 19 -1.132 -4.689 -6.068 1.00 0.00 C ATOM 0 H ALA A 19 -1.407 -2.781 -7.465 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.818 -5.263 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.155 -5.617 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.383 -4.766 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.878 -3.862 -5.405 1.00 0.00 H new ATOM 287 N ILE A 20 -3.851 -3.071 -5.231 1.00 0.00 N ATOM 288 CA ILE A 20 -4.876 -2.849 -4.174 1.00 0.00 C ATOM 289 C ILE A 20 -6.271 -3.079 -4.749 1.00 0.00 C ATOM 290 O ILE A 20 -7.132 -3.650 -4.111 1.00 0.00 O ATOM 291 CB ILE A 20 -4.704 -1.394 -3.745 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.589 -0.495 -4.613 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.241 -0.980 -3.912 1.00 0.00 C ATOM 294 CD1 ILE A 20 -7.053 -0.672 -4.205 1.00 0.00 C ATOM 0 H ILE A 20 -3.429 -2.225 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.758 -3.532 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.994 -1.290 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.292 0.547 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.461 -0.748 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.120 0.059 -3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.610 -1.617 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.950 -1.086 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.683 -0.032 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.346 -1.713 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.174 -0.398 -3.157 1.00 0.00 H new ATOM 306 N GLU A 21 -6.496 -2.648 -5.958 1.00 0.00 N ATOM 307 CA GLU A 21 -7.827 -2.859 -6.578 1.00 0.00 C ATOM 308 C GLU A 21 -8.182 -4.341 -6.499 1.00 0.00 C ATOM 309 O GLU A 21 -9.328 -4.713 -6.346 1.00 0.00 O ATOM 310 CB GLU A 21 -7.668 -2.408 -8.030 1.00 0.00 C ATOM 311 CG GLU A 21 -8.986 -2.616 -8.779 1.00 0.00 C ATOM 312 CD GLU A 21 -8.697 -2.912 -10.251 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.640 -2.517 -10.717 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.535 -3.527 -10.887 1.00 0.00 O ATOM 0 H GLU A 21 -5.816 -2.160 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.624 -2.306 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.380 -1.357 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.871 -2.974 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.543 -3.441 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.610 -1.727 -8.692 1.00 0.00 H new ATOM 321 N VAL A 22 -7.197 -5.193 -6.585 1.00 0.00 N ATOM 322 CA VAL A 22 -7.469 -6.657 -6.496 1.00 0.00 C ATOM 323 C VAL A 22 -7.838 -7.018 -5.057 1.00 0.00 C ATOM 324 O VAL A 22 -8.810 -7.696 -4.804 1.00 0.00 O ATOM 325 CB VAL A 22 -6.162 -7.334 -6.910 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.973 -8.615 -6.097 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.217 -7.678 -8.399 1.00 0.00 C ATOM 0 H VAL A 22 -6.217 -4.940 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.297 -6.972 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.327 -6.659 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.042 -9.099 -6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.935 -8.370 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.807 -9.291 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.286 -8.161 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.052 -8.354 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.353 -6.765 -8.979 1.00 0.00 H new ATOM 337 N VAL A 23 -7.078 -6.541 -4.114 1.00 0.00 N ATOM 338 CA VAL A 23 -7.391 -6.811 -2.687 1.00 0.00 C ATOM 339 C VAL A 23 -8.705 -6.121 -2.320 1.00 0.00 C ATOM 340 O VAL A 23 -9.398 -6.518 -1.404 1.00 0.00 O ATOM 341 CB VAL A 23 -6.217 -6.260 -1.886 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.747 -5.528 -0.657 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.325 -7.424 -1.440 1.00 0.00 C ATOM 0 H VAL A 23 -6.247 -5.971 -4.273 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.521 -7.873 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.640 -5.570 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.911 -5.132 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.392 -4.707 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.318 -6.221 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.483 -7.038 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.903 -8.109 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.954 -7.955 -2.317 1.00 0.00 H new ATOM 353 N ASP A 24 -9.023 -5.059 -3.009 1.00 0.00 N ATOM 354 CA ASP A 24 -10.278 -4.325 -2.709 1.00 0.00 C ATOM 355 C ASP A 24 -11.437 -5.152 -3.228 1.00 0.00 C ATOM 356 O ASP A 24 -12.480 -5.264 -2.616 1.00 0.00 O ATOM 357 CB ASP A 24 -10.163 -3.006 -3.473 1.00 0.00 C ATOM 358 CG ASP A 24 -11.133 -1.985 -2.879 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.298 -2.318 -2.735 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.697 -0.886 -2.582 1.00 0.00 O ATOM 0 H ASP A 24 -8.464 -4.670 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.437 -4.145 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.142 -2.629 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.386 -3.164 -4.528 1.00 0.00 H new ATOM 365 N GLU A 25 -11.235 -5.742 -4.367 1.00 0.00 N ATOM 366 CA GLU A 25 -12.281 -6.591 -4.975 1.00 0.00 C ATOM 367 C GLU A 25 -12.651 -7.712 -4.007 1.00 0.00 C ATOM 368 O GLU A 25 -13.807 -7.994 -3.770 1.00 0.00 O ATOM 369 CB GLU A 25 -11.615 -7.149 -6.232 1.00 0.00 C ATOM 370 CG GLU A 25 -12.438 -6.765 -7.464 1.00 0.00 C ATOM 371 CD GLU A 25 -11.962 -5.413 -7.996 1.00 0.00 C ATOM 372 OE1 GLU A 25 -11.415 -4.650 -7.216 1.00 0.00 O ATOM 373 OE2 GLU A 25 -12.152 -5.161 -9.175 1.00 0.00 O ATOM 0 H GLU A 25 -10.374 -5.669 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.202 -6.054 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.602 -6.758 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.533 -8.234 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.334 -7.528 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.496 -6.714 -7.206 1.00 0.00 H new ATOM 380 N ALA A 26 -11.663 -8.349 -3.441 1.00 0.00 N ATOM 381 CA ALA A 26 -11.932 -9.452 -2.477 1.00 0.00 C ATOM 382 C ALA A 26 -12.277 -8.877 -1.107 1.00 0.00 C ATOM 383 O ALA A 26 -13.151 -9.369 -0.416 1.00 0.00 O ATOM 384 CB ALA A 26 -10.629 -10.240 -2.413 1.00 0.00 C ATOM 0 H ALA A 26 -10.676 -8.151 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.773 -10.076 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.742 -11.075 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.385 -10.621 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.826 -9.589 -2.067 1.00 0.00 H new ATOM 390 N LYS A 27 -11.593 -7.844 -0.698 1.00 0.00 N ATOM 391 CA LYS A 27 -11.883 -7.262 0.640 1.00 0.00 C ATOM 392 C LYS A 27 -13.261 -6.613 0.616 1.00 0.00 C ATOM 393 O LYS A 27 -13.914 -6.475 1.631 1.00 0.00 O ATOM 394 CB LYS A 27 -10.791 -6.209 0.849 1.00 0.00 C ATOM 395 CG LYS A 27 -9.531 -6.881 1.401 1.00 0.00 C ATOM 396 CD LYS A 27 -9.928 -8.057 2.297 1.00 0.00 C ATOM 397 CE LYS A 27 -10.153 -9.307 1.438 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.787 -9.739 1.025 1.00 0.00 N ATOM 0 H LYS A 27 -10.853 -7.382 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.887 -8.003 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.567 -5.711 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.139 -5.441 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.904 -7.231 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.941 -6.161 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.147 -8.246 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.836 -7.815 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.661 -10.089 2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.776 -9.084 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.709 -10.772 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.619 -9.461 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.079 -9.285 1.637 1.00 0.00 H new ATOM 412 N LYS A 28 -13.736 -6.274 -0.550 1.00 0.00 N ATOM 413 CA LYS A 28 -15.100 -5.697 -0.653 1.00 0.00 C ATOM 414 C LYS A 28 -16.102 -6.802 -0.337 1.00 0.00 C ATOM 415 O LYS A 28 -17.047 -6.622 0.407 1.00 0.00 O ATOM 416 CB LYS A 28 -15.232 -5.264 -2.108 1.00 0.00 C ATOM 417 CG LYS A 28 -15.399 -3.746 -2.182 1.00 0.00 C ATOM 418 CD LYS A 28 -16.348 -3.393 -3.328 1.00 0.00 C ATOM 419 CE LYS A 28 -15.742 -3.855 -4.655 1.00 0.00 C ATOM 420 NZ LYS A 28 -16.905 -4.027 -5.569 1.00 0.00 N ATOM 0 H LYS A 28 -13.237 -6.372 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.276 -4.864 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.349 -5.570 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.089 -5.756 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.793 -3.366 -1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.431 -3.270 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.316 -3.870 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.523 -2.317 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.038 -3.120 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.193 -4.789 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.570 -4.343 -6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.554 -4.738 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.404 -3.120 -5.670 1.00 0.00 H new ATOM 434 N GLU A 29 -15.871 -7.956 -0.898 1.00 0.00 N ATOM 435 CA GLU A 29 -16.765 -9.116 -0.655 1.00 0.00 C ATOM 436 C GLU A 29 -16.993 -9.265 0.845 1.00 0.00 C ATOM 437 O GLU A 29 -18.085 -9.527 1.304 1.00 0.00 O ATOM 438 CB GLU A 29 -15.967 -10.297 -1.210 1.00 0.00 C ATOM 439 CG GLU A 29 -15.628 -11.283 -0.089 1.00 0.00 C ATOM 440 CD GLU A 29 -16.783 -12.268 0.094 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.912 -11.879 -0.157 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.520 -13.394 0.483 1.00 0.00 O ATOM 0 H GLU A 29 -15.088 -8.144 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.748 -9.027 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.543 -10.802 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.050 -9.938 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.712 -11.822 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.446 -10.744 0.841 1.00 0.00 H new ATOM 449 N PHE A 30 -15.974 -9.060 1.610 1.00 0.00 N ATOM 450 CA PHE A 30 -16.101 -9.171 3.083 1.00 0.00 C ATOM 451 C PHE A 30 -16.491 -7.809 3.659 1.00 0.00 C ATOM 452 O PHE A 30 -17.490 -7.679 4.338 1.00 0.00 O ATOM 453 CB PHE A 30 -14.703 -9.584 3.579 1.00 0.00 C ATOM 454 CG PHE A 30 -14.198 -8.576 4.589 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.953 -8.291 5.731 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.977 -7.928 4.379 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.489 -7.356 6.661 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.512 -6.993 5.309 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.267 -6.707 6.450 1.00 0.00 C ATOM 0 H PHE A 30 -15.041 -8.816 1.277 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.862 -9.890 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.746 -10.575 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.013 -9.647 2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.895 -8.793 5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.393 -8.150 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.073 -7.135 7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.569 -6.492 5.146 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.908 -5.985 7.169 1.00 0.00 H new ATOM 469 N GLY A 31 -15.690 -6.808 3.416 1.00 0.00 N ATOM 470 CA GLY A 31 -16.013 -5.443 3.921 1.00 0.00 C ATOM 471 C GLY A 31 -16.719 -4.606 2.848 1.00 0.00 C ATOM 472 O GLY A 31 -16.096 -3.772 2.215 1.00 0.00 O ATOM 0 H GLY A 31 -14.821 -6.877 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.649 -5.520 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.097 -4.942 4.232 1.00 0.00 H new ATOM 476 N ASP A 32 -17.979 -4.808 2.613 1.00 0.00 N ATOM 477 CA ASP A 32 -18.659 -3.998 1.558 1.00 0.00 C ATOM 478 C ASP A 32 -18.057 -2.586 1.484 1.00 0.00 C ATOM 479 O ASP A 32 -18.068 -1.947 0.457 1.00 0.00 O ATOM 480 CB ASP A 32 -20.114 -3.924 2.032 1.00 0.00 C ATOM 481 CG ASP A 32 -20.670 -2.519 1.780 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.353 -1.957 0.747 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.404 -2.031 2.626 1.00 0.00 O ATOM 0 H ASP A 32 -18.567 -5.488 3.095 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.553 -4.434 0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.716 -4.664 1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.173 -4.164 3.094 1.00 0.00 H new ATOM 488 N LYS A 33 -17.511 -2.116 2.577 1.00 0.00 N ATOM 489 CA LYS A 33 -16.857 -0.779 2.597 1.00 0.00 C ATOM 490 C LYS A 33 -15.400 -0.876 2.129 1.00 0.00 C ATOM 491 O LYS A 33 -14.761 -1.894 2.302 1.00 0.00 O ATOM 492 CB LYS A 33 -16.969 -0.283 4.028 1.00 0.00 C ATOM 493 CG LYS A 33 -18.047 -1.088 4.751 1.00 0.00 C ATOM 494 CD LYS A 33 -17.390 -2.239 5.511 1.00 0.00 C ATOM 495 CE LYS A 33 -17.738 -2.132 6.997 1.00 0.00 C ATOM 496 NZ LYS A 33 -18.297 -3.465 7.357 1.00 0.00 N ATOM 0 H LYS A 33 -17.492 -2.612 3.468 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.338 -0.081 1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.012 -0.390 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.220 0.778 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.595 -0.447 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.770 -1.476 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.733 -3.194 5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.309 -2.208 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.856 -1.899 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.463 -1.338 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -18.560 -3.471 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.139 -3.656 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.582 -4.200 7.182 1.00 0.00 H new ATOM 510 N ILE A 34 -14.850 0.174 1.584 1.00 0.00 N ATOM 511 CA ILE A 34 -13.424 0.102 1.165 1.00 0.00 C ATOM 512 C ILE A 34 -12.629 1.296 1.716 1.00 0.00 C ATOM 513 O ILE A 34 -13.166 2.353 1.985 1.00 0.00 O ATOM 514 CB ILE A 34 -13.473 0.161 -0.357 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.370 -1.254 -0.921 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.311 1.007 -0.881 1.00 0.00 C ATOM 517 CD1 ILE A 34 -14.101 -2.228 0.006 1.00 0.00 C ATOM 0 H ILE A 34 -15.318 1.064 1.413 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.932 -0.796 1.538 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.414 0.613 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.804 -1.291 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.323 -1.543 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.351 1.046 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.386 2.017 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.367 0.562 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.027 -3.238 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.647 -2.198 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.150 -1.942 0.080 1.00 0.00 H new ATOM 529 N ASP A 35 -11.344 1.125 1.871 1.00 0.00 N ATOM 530 CA ASP A 35 -10.491 2.227 2.390 1.00 0.00 C ATOM 531 C ASP A 35 -9.085 2.094 1.813 1.00 0.00 C ATOM 532 O ASP A 35 -8.154 1.689 2.492 1.00 0.00 O ATOM 533 CB ASP A 35 -10.472 2.039 3.911 1.00 0.00 C ATOM 534 CG ASP A 35 -10.019 3.339 4.585 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.375 4.134 3.920 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.324 3.515 5.753 1.00 0.00 O ATOM 0 H ASP A 35 -10.846 0.261 1.658 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.865 3.213 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.464 1.761 4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.798 1.225 4.178 1.00 0.00 H new ATOM 541 N VAL A 36 -8.909 2.430 0.572 1.00 0.00 N ATOM 542 CA VAL A 36 -7.562 2.289 -0.028 1.00 0.00 C ATOM 543 C VAL A 36 -6.788 3.593 0.097 1.00 0.00 C ATOM 544 O VAL A 36 -7.176 4.628 -0.424 1.00 0.00 O ATOM 545 CB VAL A 36 -7.834 1.997 -1.522 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.515 1.709 -2.248 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.754 0.779 -1.649 1.00 0.00 C ATOM 0 H VAL A 36 -9.633 2.793 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.975 1.511 0.460 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.312 2.868 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.716 1.504 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.858 2.575 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.032 0.843 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.944 0.575 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.276 -0.087 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.698 0.981 -1.142 1.00 0.00 H new ATOM 557 N GLU A 37 -5.677 3.561 0.780 1.00 0.00 N ATOM 558 CA GLU A 37 -4.894 4.817 0.970 1.00 0.00 C ATOM 559 C GLU A 37 -3.704 4.807 0.016 1.00 0.00 C ATOM 560 O GLU A 37 -3.140 3.787 -0.283 1.00 0.00 O ATOM 561 CB GLU A 37 -4.356 4.725 2.415 1.00 0.00 C ATOM 562 CG GLU A 37 -5.505 4.832 3.418 1.00 0.00 C ATOM 563 CD GLU A 37 -5.993 6.278 3.471 1.00 0.00 C ATOM 564 OE1 GLU A 37 -5.895 6.953 2.458 1.00 0.00 O ATOM 565 OE2 GLU A 37 -6.458 6.689 4.521 1.00 0.00 O ATOM 0 H GLU A 37 -5.279 2.727 1.212 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.489 5.712 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.829 3.781 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.634 5.522 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.321 4.171 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.173 4.511 4.405 1.00 0.00 H new ATOM 572 N LYS A 38 -3.389 5.945 -0.533 1.00 0.00 N ATOM 573 CA LYS A 38 -2.313 6.031 -1.567 1.00 0.00 C ATOM 574 C LYS A 38 -1.467 7.291 -1.399 1.00 0.00 C ATOM 575 O LYS A 38 -1.987 8.385 -1.393 1.00 0.00 O ATOM 576 CB LYS A 38 -2.998 6.014 -2.922 1.00 0.00 C ATOM 577 CG LYS A 38 -4.047 7.114 -2.964 1.00 0.00 C ATOM 578 CD LYS A 38 -5.432 6.503 -2.764 1.00 0.00 C ATOM 579 CE LYS A 38 -5.559 5.237 -3.616 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.312 4.112 -2.672 1.00 0.00 N ATOM 0 H LYS A 38 -3.836 6.834 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.627 5.190 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.265 6.163 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.464 5.044 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.847 7.852 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.003 7.637 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.587 6.263 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.202 7.222 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.548 5.163 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.835 5.235 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.014 3.270 -3.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.564 4.380 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.186 3.899 -2.150 1.00 0.00 H new ATOM 594 N ILE A 39 -0.184 7.154 -1.195 1.00 0.00 N ATOM 595 CA ILE A 39 0.669 8.365 -1.003 1.00 0.00 C ATOM 596 C ILE A 39 1.984 8.215 -1.786 1.00 0.00 C ATOM 597 O ILE A 39 2.295 7.160 -2.300 1.00 0.00 O ATOM 598 CB ILE A 39 0.936 8.456 0.483 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.516 7.146 1.145 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.134 9.614 1.074 1.00 0.00 C ATOM 601 CD1 ILE A 39 1.413 6.009 0.651 1.00 0.00 C ATOM 0 H ILE A 39 0.309 6.262 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 39 0.179 9.267 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 39 1.998 8.630 0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.589 7.235 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.526 6.927 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.326 9.680 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.432 10.546 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.929 9.443 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.111 5.075 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.318 5.914 -0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.450 6.227 0.906 1.00 0.00 H new ATOM 613 N ASP A 40 2.744 9.273 -1.884 1.00 0.00 N ATOM 614 CA ASP A 40 4.050 9.202 -2.593 1.00 0.00 C ATOM 615 C ASP A 40 5.215 9.228 -1.592 1.00 0.00 C ATOM 616 O ASP A 40 5.030 9.430 -0.409 1.00 0.00 O ATOM 617 CB ASP A 40 4.047 10.420 -3.500 1.00 0.00 C ATOM 618 CG ASP A 40 4.451 11.650 -2.698 1.00 0.00 C ATOM 619 OD1 ASP A 40 4.573 11.532 -1.489 1.00 0.00 O ATOM 620 OD2 ASP A 40 4.632 12.689 -3.304 1.00 0.00 O ATOM 0 H ASP A 40 2.512 10.189 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 40 4.179 8.279 -3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.738 10.271 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.056 10.563 -3.932 1.00 0.00 H new ATOM 625 N ILE A 41 6.419 9.083 -2.067 1.00 0.00 N ATOM 626 CA ILE A 41 7.598 9.160 -1.160 1.00 0.00 C ATOM 627 C ILE A 41 7.769 10.578 -0.595 1.00 0.00 C ATOM 628 O ILE A 41 8.590 10.810 0.275 1.00 0.00 O ATOM 629 CB ILE A 41 8.798 8.768 -2.024 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.087 8.959 -1.220 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.841 9.645 -3.276 1.00 0.00 C ATOM 632 CD1 ILE A 41 11.160 9.576 -2.115 1.00 0.00 C ATOM 0 H ILE A 41 6.639 8.914 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 41 7.487 8.502 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 41 8.704 7.723 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.900 9.604 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.430 8.001 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.697 9.363 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.924 9.507 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.933 10.691 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.077 9.712 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.354 8.915 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.815 10.542 -2.483 1.00 0.00 H new ATOM 644 N MET A 42 7.031 11.530 -1.102 1.00 0.00 N ATOM 645 CA MET A 42 7.171 12.920 -0.587 1.00 0.00 C ATOM 646 C MET A 42 6.124 13.206 0.492 1.00 0.00 C ATOM 647 O MET A 42 6.240 14.152 1.248 1.00 0.00 O ATOM 648 CB MET A 42 6.947 13.805 -1.811 1.00 0.00 C ATOM 649 CG MET A 42 5.537 14.390 -1.767 1.00 0.00 C ATOM 650 SD MET A 42 5.591 16.036 -1.018 1.00 0.00 S ATOM 651 CE MET A 42 3.828 16.164 -0.627 1.00 0.00 C ATOM 0 H MET A 42 6.343 11.405 -1.845 1.00 0.00 H new ATOM 0 HA MET A 42 8.141 13.095 -0.123 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.684 14.607 -1.832 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.082 13.223 -2.723 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.125 14.450 -2.774 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.879 13.738 -1.192 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.598 17.182 -0.313 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.240 15.915 -1.511 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.583 15.472 0.179 1.00 0.00 H new ATOM 661 N VAL A 43 5.100 12.403 0.569 1.00 0.00 N ATOM 662 CA VAL A 43 4.037 12.648 1.584 1.00 0.00 C ATOM 663 C VAL A 43 4.045 11.536 2.629 1.00 0.00 C ATOM 664 O VAL A 43 3.885 11.781 3.807 1.00 0.00 O ATOM 665 CB VAL A 43 2.721 12.633 0.801 1.00 0.00 C ATOM 666 CG1 VAL A 43 2.419 11.207 0.346 1.00 0.00 C ATOM 667 CG2 VAL A 43 1.586 13.131 1.703 1.00 0.00 C ATOM 0 H VAL A 43 4.953 11.588 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 43 4.184 13.589 2.113 1.00 0.00 H new ATOM 0 HB VAL A 43 2.807 13.284 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.483 11.194 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.227 10.850 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.332 10.558 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.648 13.121 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.499 12.479 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.802 14.148 2.032 1.00 0.00 H new ATOM 677 N ASP A 44 4.228 10.314 2.209 1.00 0.00 N ATOM 678 CA ASP A 44 4.241 9.194 3.191 1.00 0.00 C ATOM 679 C ASP A 44 5.644 8.607 3.308 1.00 0.00 C ATOM 680 O ASP A 44 5.824 7.397 3.306 1.00 0.00 O ATOM 681 CB ASP A 44 3.261 8.163 2.629 1.00 0.00 C ATOM 682 CG ASP A 44 3.540 6.795 3.256 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.240 6.629 4.426 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.048 5.937 2.553 1.00 0.00 O ATOM 0 H ASP A 44 4.368 10.044 1.235 1.00 0.00 H new ATOM 0 HA ASP A 44 3.956 9.518 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.236 8.468 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.361 8.105 1.545 1.00 0.00 H new ATOM 689 N ARG A 45 6.650 9.434 3.415 1.00 0.00 N ATOM 690 CA ARG A 45 8.031 8.878 3.498 1.00 0.00 C ATOM 691 C ARG A 45 8.164 8.026 4.761 1.00 0.00 C ATOM 692 O ARG A 45 9.133 7.329 4.957 1.00 0.00 O ATOM 693 CB ARG A 45 8.914 10.127 3.673 1.00 0.00 C ATOM 694 CG ARG A 45 10.358 9.704 3.962 1.00 0.00 C ATOM 695 CD ARG A 45 11.220 10.943 4.232 1.00 0.00 C ATOM 696 NE ARG A 45 12.626 10.462 4.123 1.00 0.00 N ATOM 697 CZ ARG A 45 13.522 10.865 4.982 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.692 12.140 5.198 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.248 9.992 5.624 1.00 0.00 N ATOM 0 H ARG A 45 6.579 10.451 3.448 1.00 0.00 H new ATOM 0 HA ARG A 45 8.291 8.265 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.878 10.739 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.534 10.741 4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.385 9.036 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.760 9.148 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.015 11.732 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.019 11.356 5.220 1.00 0.00 H new ATOM 0 HE ARG A 45 12.888 9.818 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.125 12.823 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.392 12.455 5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.115 8.995 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.948 10.306 6.295 1.00 0.00 H new ATOM 713 N GLU A 46 7.129 7.991 5.558 1.00 0.00 N ATOM 714 CA GLU A 46 7.122 7.114 6.759 1.00 0.00 C ATOM 715 C GLU A 46 7.351 5.651 6.361 1.00 0.00 C ATOM 716 O GLU A 46 7.670 4.819 7.189 1.00 0.00 O ATOM 717 CB GLU A 46 5.760 7.314 7.415 1.00 0.00 C ATOM 718 CG GLU A 46 5.555 8.804 7.700 1.00 0.00 C ATOM 719 CD GLU A 46 6.039 9.130 9.116 1.00 0.00 C ATOM 720 OE1 GLU A 46 6.512 8.224 9.782 1.00 0.00 O ATOM 721 OE2 GLU A 46 5.928 10.280 9.509 1.00 0.00 O ATOM 0 H GLU A 46 6.280 8.540 5.424 1.00 0.00 H new ATOM 0 HA GLU A 46 7.925 7.367 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.970 6.944 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.701 6.742 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.102 9.402 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.501 9.062 7.597 1.00 0.00 H new ATOM 728 N LYS A 47 7.145 5.321 5.122 1.00 0.00 N ATOM 729 CA LYS A 47 7.328 3.897 4.702 1.00 0.00 C ATOM 730 C LYS A 47 8.695 3.386 5.146 1.00 0.00 C ATOM 731 O LYS A 47 8.823 2.427 5.853 1.00 0.00 O ATOM 732 CB LYS A 47 7.275 3.907 3.178 1.00 0.00 C ATOM 733 CG LYS A 47 8.418 3.029 2.641 1.00 0.00 C ATOM 734 CD LYS A 47 8.153 1.565 2.995 1.00 0.00 C ATOM 735 CE LYS A 47 9.430 0.752 2.776 1.00 0.00 C ATOM 736 NZ LYS A 47 9.367 -0.343 3.782 1.00 0.00 N ATOM 0 H LYS A 47 6.860 5.964 4.383 1.00 0.00 H new ATOM 0 HA LYS A 47 6.566 3.254 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.313 3.530 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.372 4.926 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.500 3.143 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.368 3.350 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.829 1.483 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.346 1.170 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.476 0.354 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.319 1.367 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.017 -0.132 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.397 -0.422 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.642 -1.241 3.335 1.00 0.00 H new ATOM 750 N ALA A 48 9.706 4.065 4.726 1.00 0.00 N ATOM 751 CA ALA A 48 11.080 3.748 5.116 1.00 0.00 C ATOM 752 C ALA A 48 11.299 3.886 6.608 1.00 0.00 C ATOM 753 O ALA A 48 12.411 3.766 7.089 1.00 0.00 O ATOM 754 CB ALA A 48 12.011 4.515 4.215 1.00 0.00 C ATOM 0 H ALA A 48 9.626 4.865 4.098 1.00 0.00 H new ATOM 0 HA ALA A 48 11.307 2.693 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.043 4.295 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.838 4.223 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.827 5.584 4.326 1.00 0.00 H new ATOM 760 N ILE A 49 10.321 4.357 7.336 1.00 0.00 N ATOM 761 CA ILE A 49 10.592 4.605 8.763 1.00 0.00 C ATOM 762 C ILE A 49 11.554 3.508 9.154 1.00 0.00 C ATOM 763 O ILE A 49 12.525 3.703 9.854 1.00 0.00 O ATOM 764 CB ILE A 49 9.246 4.470 9.473 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.508 3.232 8.946 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.396 5.714 9.214 1.00 0.00 C ATOM 767 CD1 ILE A 49 9.073 1.977 9.615 1.00 0.00 C ATOM 0 H ILE A 49 9.379 4.572 7.010 1.00 0.00 H new ATOM 0 HA ILE A 49 11.016 5.579 9.006 1.00 0.00 H new ATOM 0 HB ILE A 49 9.417 4.365 10.544 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.441 3.317 9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.620 3.162 7.864 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.437 5.612 9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.915 6.595 9.592 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.228 5.823 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.549 1.098 9.241 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.135 1.890 9.387 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.938 2.048 10.694 1.00 0.00 H new ATOM 779 N GLU A 50 11.295 2.339 8.630 1.00 0.00 N ATOM 780 CA GLU A 50 12.186 1.183 8.884 1.00 0.00 C ATOM 781 C GLU A 50 13.623 1.573 8.530 1.00 0.00 C ATOM 782 O GLU A 50 14.529 1.410 9.322 1.00 0.00 O ATOM 783 CB GLU A 50 11.666 0.094 7.944 1.00 0.00 C ATOM 784 CG GLU A 50 10.840 -0.913 8.743 1.00 0.00 C ATOM 785 CD GLU A 50 11.240 -2.334 8.342 1.00 0.00 C ATOM 786 OE1 GLU A 50 12.155 -2.864 8.947 1.00 0.00 O ATOM 787 OE2 GLU A 50 10.622 -2.868 7.435 1.00 0.00 O ATOM 0 H GLU A 50 10.494 2.140 8.031 1.00 0.00 H new ATOM 0 HA GLU A 50 12.189 0.853 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.057 0.538 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.500 -0.409 7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.002 -0.766 9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.777 -0.757 8.557 1.00 0.00 H new ATOM 794 N TYR A 51 13.846 2.101 7.350 1.00 0.00 N ATOM 795 CA TYR A 51 15.238 2.510 6.976 1.00 0.00 C ATOM 796 C TYR A 51 15.275 3.988 6.585 1.00 0.00 C ATOM 797 O TYR A 51 16.271 4.664 6.753 1.00 0.00 O ATOM 798 CB TYR A 51 15.620 1.646 5.771 1.00 0.00 C ATOM 799 CG TYR A 51 14.556 1.720 4.699 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.289 1.173 4.922 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.850 2.321 3.469 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.317 1.227 3.917 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.877 2.378 2.467 1.00 0.00 C ATOM 804 CZ TYR A 51 12.610 1.830 2.689 1.00 0.00 C ATOM 805 OH TYR A 51 11.652 1.880 1.698 1.00 0.00 O ATOM 0 H TYR A 51 13.135 2.265 6.638 1.00 0.00 H new ATOM 0 HA TYR A 51 15.927 2.374 7.810 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.575 1.981 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.753 0.611 6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.060 0.709 5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.830 2.741 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.339 0.803 4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.104 2.846 1.520 1.00 0.00 H new ATOM 0 HH TYR A 51 11.235 2.767 1.690 1.00 0.00 H new ATOM 815 N GLY A 52 14.194 4.479 6.060 1.00 0.00 N ATOM 816 CA GLY A 52 14.131 5.909 5.647 1.00 0.00 C ATOM 817 C GLY A 52 15.435 6.348 4.957 1.00 0.00 C ATOM 818 O GLY A 52 15.659 7.509 4.733 1.00 0.00 O ATOM 0 H GLY A 52 13.339 3.947 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.290 6.058 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.951 6.535 6.521 1.00 0.00 H new ATOM 822 N LEU A 53 16.272 5.422 4.614 1.00 0.00 N ATOM 823 CA LEU A 53 17.526 5.737 3.887 1.00 0.00 C ATOM 824 C LEU A 53 17.194 5.824 2.397 1.00 0.00 C ATOM 825 O LEU A 53 17.330 6.852 1.747 1.00 0.00 O ATOM 826 CB LEU A 53 18.532 4.651 4.225 1.00 0.00 C ATOM 827 CG LEU A 53 18.513 4.409 5.735 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.828 3.759 6.158 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.342 5.740 6.480 1.00 0.00 C ATOM 0 H LEU A 53 16.137 4.431 4.812 1.00 0.00 H new ATOM 0 HA LEU A 53 17.965 6.692 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.287 3.732 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.530 4.949 3.904 1.00 0.00 H new ATOM 0 HG LEU A 53 17.678 3.753 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.818 3.585 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 53 19.948 2.809 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.658 4.419 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.330 5.557 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.171 6.403 6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.403 6.206 6.181 1.00 0.00 H new ATOM 841 N MET A 54 16.846 4.696 1.857 1.00 0.00 N ATOM 842 CA MET A 54 16.504 4.591 0.427 1.00 0.00 C ATOM 843 C MET A 54 14.985 4.496 0.316 1.00 0.00 C ATOM 844 O MET A 54 14.446 3.534 -0.205 1.00 0.00 O ATOM 845 CB MET A 54 17.167 3.307 -0.055 1.00 0.00 C ATOM 846 CG MET A 54 18.673 3.533 -0.165 1.00 0.00 C ATOM 847 SD MET A 54 19.352 2.432 -1.429 1.00 0.00 S ATOM 848 CE MET A 54 18.543 3.197 -2.855 1.00 0.00 C ATOM 0 H MET A 54 16.784 3.816 2.369 1.00 0.00 H new ATOM 0 HA MET A 54 16.839 5.442 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.959 2.493 0.639 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.759 3.013 -1.022 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.879 4.572 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.152 3.342 0.795 1.00 0.00 H new ATOM 0 HE1 MET A 54 19.214 3.167 -3.714 1.00 0.00 H new ATOM 0 HE2 MET A 54 17.628 2.653 -3.090 1.00 0.00 H new ATOM 0 HE3 MET A 54 18.299 4.233 -2.622 1.00 0.00 H new ATOM 858 N ALA A 55 14.278 5.456 0.836 1.00 0.00 N ATOM 859 CA ALA A 55 12.793 5.348 0.819 1.00 0.00 C ATOM 860 C ALA A 55 12.199 6.169 -0.317 1.00 0.00 C ATOM 861 O ALA A 55 12.169 7.384 -0.307 1.00 0.00 O ATOM 862 CB ALA A 55 12.385 5.993 2.164 1.00 0.00 C ATOM 0 H ALA A 55 14.655 6.300 1.267 1.00 0.00 H new ATOM 0 HA ALA A 55 12.451 4.322 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.300 5.970 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.837 5.438 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.730 7.026 2.191 1.00 0.00 H new ATOM 868 N VAL A 56 11.710 5.471 -1.316 1.00 0.00 N ATOM 869 CA VAL A 56 11.107 6.148 -2.498 1.00 0.00 C ATOM 870 C VAL A 56 9.958 5.307 -3.063 1.00 0.00 C ATOM 871 O VAL A 56 8.821 5.738 -3.040 1.00 0.00 O ATOM 872 CB VAL A 56 12.229 6.286 -3.526 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.677 6.004 -4.928 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.781 7.712 -3.481 1.00 0.00 C ATOM 0 H VAL A 56 11.705 4.452 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 56 10.693 7.121 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 56 13.022 5.575 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.478 6.103 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.275 4.992 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.885 6.717 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.582 7.815 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.984 8.418 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.171 7.920 -2.485 1.00 0.00 H new ATOM 884 N PRO A 57 10.259 4.101 -3.465 1.00 0.00 N ATOM 885 CA PRO A 57 9.206 3.208 -4.002 1.00 0.00 C ATOM 886 C PRO A 57 8.806 2.163 -2.956 1.00 0.00 C ATOM 887 O PRO A 57 9.530 1.251 -2.639 1.00 0.00 O ATOM 888 CB PRO A 57 9.977 2.465 -5.110 1.00 0.00 C ATOM 889 CG PRO A 57 11.441 2.516 -4.724 1.00 0.00 C ATOM 890 CD PRO A 57 11.587 3.493 -3.577 1.00 0.00 C ATOM 0 HA PRO A 57 8.306 3.740 -4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.634 1.434 -5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.815 2.937 -6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.792 1.527 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.048 2.831 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.875 2.988 -2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.353 4.240 -3.783 1.00 0.00 H new ATOM 898 N ALA A 58 7.648 2.364 -2.372 1.00 0.00 N ATOM 899 CA ALA A 58 7.194 1.457 -1.289 1.00 0.00 C ATOM 900 C ALA A 58 5.684 1.547 -1.075 1.00 0.00 C ATOM 901 O ALA A 58 4.977 2.255 -1.766 1.00 0.00 O ATOM 902 CB ALA A 58 7.931 1.888 -0.021 1.00 0.00 C ATOM 0 H ALA A 58 7.003 3.119 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 58 7.412 0.421 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.631 1.249 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.006 1.799 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.682 2.924 0.210 1.00 0.00 H new ATOM 908 N ILE A 59 5.194 0.816 -0.117 1.00 0.00 N ATOM 909 CA ILE A 59 3.739 0.826 0.167 1.00 0.00 C ATOM 910 C ILE A 59 3.505 0.578 1.651 1.00 0.00 C ATOM 911 O ILE A 59 4.168 -0.252 2.261 1.00 0.00 O ATOM 912 CB ILE A 59 3.184 -0.347 -0.644 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.543 0.182 -1.928 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.137 -1.093 0.184 1.00 0.00 C ATOM 915 CD1 ILE A 59 2.856 -0.769 -3.084 1.00 0.00 C ATOM 0 H ILE A 59 5.746 0.207 0.486 1.00 0.00 H new ATOM 0 HA ILE A 59 3.268 1.775 -0.089 1.00 0.00 H new ATOM 0 HB ILE A 59 3.995 -1.030 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.464 0.271 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.921 1.180 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.743 -1.928 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.597 -1.470 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.324 -0.413 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.399 -0.392 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.936 -0.836 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.457 -1.758 -2.860 1.00 0.00 H new ATOM 927 N ALA A 60 2.555 1.234 2.249 1.00 0.00 N ATOM 928 CA ALA A 60 2.350 0.965 3.684 1.00 0.00 C ATOM 929 C ALA A 60 1.521 -0.280 3.783 1.00 0.00 C ATOM 930 O ALA A 60 0.570 -0.483 3.008 1.00 0.00 O ATOM 931 CB ALA A 60 1.514 2.183 4.193 1.00 0.00 C ATOM 0 H ALA A 60 1.934 1.920 1.821 1.00 0.00 H new ATOM 0 HA ALA A 60 3.273 0.837 4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.313 2.067 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.074 3.103 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.571 2.230 3.649 1.00 0.00 H new ATOM 937 N ILE A 61 1.845 -1.159 4.684 1.00 0.00 N ATOM 938 CA ILE A 61 1.088 -2.410 4.660 1.00 0.00 C ATOM 939 C ILE A 61 -0.098 -2.201 5.556 1.00 0.00 C ATOM 940 O ILE A 61 -0.188 -2.582 6.701 1.00 0.00 O ATOM 941 CB ILE A 61 2.079 -3.382 5.410 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.527 -3.132 4.951 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.719 -4.846 5.151 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.393 -4.366 5.226 1.00 0.00 C ATOM 0 H ILE A 61 2.566 -1.066 5.399 1.00 0.00 H new ATOM 0 HA ILE A 61 0.767 -2.752 3.676 1.00 0.00 H new ATOM 0 HB ILE A 61 1.992 -3.180 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.543 -2.898 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.937 -2.268 5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.419 -5.492 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.707 -5.040 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.774 -5.051 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.414 -4.175 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.391 -4.581 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.991 -5.221 4.683 1.00 0.00 H new ATOM 956 N ASN A 62 -1.113 -1.639 4.920 1.00 0.00 N ATOM 957 CA ASN A 62 -2.405 -1.384 5.595 1.00 0.00 C ATOM 958 C ASN A 62 -2.765 -2.602 6.414 1.00 0.00 C ATOM 959 O ASN A 62 -3.494 -3.468 5.988 1.00 0.00 O ATOM 960 CB ASN A 62 -3.417 -1.130 4.482 1.00 0.00 C ATOM 961 CG ASN A 62 -3.574 0.380 4.263 1.00 0.00 C ATOM 962 OD1 ASN A 62 -3.744 0.826 3.145 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.525 1.189 5.286 1.00 0.00 N ATOM 0 H ASN A 62 -1.082 -1.347 3.943 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.375 -0.530 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.087 -1.609 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.379 -1.572 4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.629 2.194 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.382 0.816 6.225 1.00 0.00 H new ATOM 970 N GLY A 63 -2.219 -2.667 7.589 1.00 0.00 N ATOM 971 CA GLY A 63 -2.454 -3.824 8.486 1.00 0.00 C ATOM 972 C GLY A 63 -1.348 -3.799 9.536 1.00 0.00 C ATOM 973 O GLY A 63 -1.589 -3.914 10.721 1.00 0.00 O ATOM 0 H GLY A 63 -1.605 -1.950 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.435 -3.756 8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.434 -4.758 7.925 1.00 0.00 H new ATOM 977 N VAL A 64 -0.126 -3.636 9.094 1.00 0.00 N ATOM 978 CA VAL A 64 1.018 -3.593 10.043 1.00 0.00 C ATOM 979 C VAL A 64 1.821 -2.280 9.893 1.00 0.00 C ATOM 980 O VAL A 64 1.931 -1.522 10.836 1.00 0.00 O ATOM 981 CB VAL A 64 1.847 -4.818 9.675 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.913 -6.021 9.560 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.534 -4.599 8.329 1.00 0.00 C ATOM 0 H VAL A 64 0.125 -3.531 8.111 1.00 0.00 H new ATOM 0 HA VAL A 64 0.704 -3.611 11.087 1.00 0.00 H new ATOM 0 HB VAL A 64 2.603 -4.989 10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.491 -6.907 9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.412 -6.185 10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.168 -5.831 8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.124 -5.479 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.781 -4.432 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.188 -3.729 8.392 1.00 0.00 H new ATOM 993 N VAL A 65 2.380 -1.992 8.737 1.00 0.00 N ATOM 994 CA VAL A 65 3.161 -0.717 8.602 1.00 0.00 C ATOM 995 C VAL A 65 3.420 -0.354 7.133 1.00 0.00 C ATOM 996 O VAL A 65 2.550 0.137 6.441 1.00 0.00 O ATOM 997 CB VAL A 65 4.490 -0.990 9.314 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.449 0.178 9.073 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.243 -1.139 10.817 1.00 0.00 C ATOM 0 H VAL A 65 2.331 -2.571 7.899 1.00 0.00 H new ATOM 0 HA VAL A 65 2.613 0.123 9.029 1.00 0.00 H new ATOM 0 HB VAL A 65 4.928 -1.908 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.394 -0.017 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.627 0.288 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.010 1.096 9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.188 -1.333 11.324 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.805 -0.220 11.207 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.560 -1.970 10.993 1.00 0.00 H new ATOM 1009 N ARG A 66 4.628 -0.571 6.669 1.00 0.00 N ATOM 1010 CA ARG A 66 4.983 -0.230 5.255 1.00 0.00 C ATOM 1011 C ARG A 66 6.147 -1.109 4.781 1.00 0.00 C ATOM 1012 O ARG A 66 6.810 -1.752 5.570 1.00 0.00 O ATOM 1013 CB ARG A 66 5.418 1.235 5.310 1.00 0.00 C ATOM 1014 CG ARG A 66 5.176 1.895 3.948 1.00 0.00 C ATOM 1015 CD ARG A 66 4.551 3.287 4.126 1.00 0.00 C ATOM 1016 NE ARG A 66 3.914 3.277 5.473 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.991 4.332 6.238 1.00 0.00 C ATOM 1018 NH1 ARG A 66 5.002 4.477 7.049 1.00 0.00 N ATOM 1019 NH2 ARG A 66 3.057 5.244 6.192 1.00 0.00 N ATOM 0 H ARG A 66 5.390 -0.974 7.215 1.00 0.00 H new ATOM 0 HA ARG A 66 4.155 -0.391 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.860 1.761 6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.473 1.302 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.118 1.980 3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.517 1.269 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.309 4.067 4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.815 3.488 3.347 1.00 0.00 H new ATOM 0 HE ARG A 66 3.418 2.447 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.733 3.766 7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.062 5.301 7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.266 5.132 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.119 6.068 6.790 1.00 0.00 H new ATOM 1033 N PHE A 67 6.393 -1.157 3.496 1.00 0.00 N ATOM 1034 CA PHE A 67 7.507 -2.010 2.981 1.00 0.00 C ATOM 1035 C PHE A 67 8.175 -1.362 1.762 1.00 0.00 C ATOM 1036 O PHE A 67 7.728 -0.354 1.257 1.00 0.00 O ATOM 1037 CB PHE A 67 6.846 -3.329 2.585 1.00 0.00 C ATOM 1038 CG PHE A 67 6.669 -3.384 1.084 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.277 -2.241 0.374 1.00 0.00 C ATOM 1040 CD2 PHE A 67 6.894 -4.585 0.402 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.112 -2.302 -1.015 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.727 -4.645 -0.986 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.336 -3.504 -1.695 1.00 0.00 C ATOM 0 H PHE A 67 5.873 -0.645 2.784 1.00 0.00 H new ATOM 0 HA PHE A 67 8.289 -2.147 3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.457 -4.167 2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.879 -3.424 3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.102 -1.313 0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.197 -5.467 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.812 -1.421 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.900 -5.573 -1.511 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.207 -3.551 -2.766 1.00 0.00 H new ATOM 1053 N VAL A 68 9.257 -1.938 1.300 1.00 0.00 N ATOM 1054 CA VAL A 68 9.957 -1.388 0.105 1.00 0.00 C ATOM 1055 C VAL A 68 9.362 -2.010 -1.160 1.00 0.00 C ATOM 1056 O VAL A 68 9.404 -3.213 -1.336 1.00 0.00 O ATOM 1057 CB VAL A 68 11.422 -1.762 0.281 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.202 -1.363 -0.971 1.00 0.00 C ATOM 1059 CG2 VAL A 68 11.987 -1.016 1.493 1.00 0.00 C ATOM 0 H VAL A 68 9.686 -2.771 1.704 1.00 0.00 H new ATOM 0 HA VAL A 68 9.847 -0.308 0.009 1.00 0.00 H new ATOM 0 HB VAL A 68 11.512 -2.837 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.251 -1.630 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.794 -1.886 -1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.117 -0.287 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.036 -1.279 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.900 0.059 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.427 -1.296 2.386 1.00 0.00 H new ATOM 1069 N GLY A 69 8.821 -1.224 -2.045 1.00 0.00 N ATOM 1070 CA GLY A 69 8.247 -1.814 -3.287 1.00 0.00 C ATOM 1071 C GLY A 69 8.072 -0.745 -4.359 1.00 0.00 C ATOM 1072 O GLY A 69 7.270 0.153 -4.225 1.00 0.00 O ATOM 0 H GLY A 69 8.751 -0.210 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.901 -2.603 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.285 -2.275 -3.066 1.00 0.00 H new ATOM 1076 N ALA A 70 8.791 -0.839 -5.433 1.00 0.00 N ATOM 1077 CA ALA A 70 8.630 0.168 -6.504 1.00 0.00 C ATOM 1078 C ALA A 70 7.586 -0.336 -7.501 1.00 0.00 C ATOM 1079 O ALA A 70 6.420 -0.012 -7.372 1.00 0.00 O ATOM 1080 CB ALA A 70 10.015 0.300 -7.116 1.00 0.00 C ATOM 0 H ALA A 70 9.481 -1.567 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 70 8.276 1.139 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.988 1.031 -7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.720 0.629 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.332 -0.665 -7.511 1.00 0.00 H new ATOM 1086 N PRO A 71 8.006 -1.155 -8.430 1.00 0.00 N ATOM 1087 CA PRO A 71 7.034 -1.704 -9.386 1.00 0.00 C ATOM 1088 C PRO A 71 6.332 -2.886 -8.724 1.00 0.00 C ATOM 1089 O PRO A 71 5.690 -3.691 -9.385 1.00 0.00 O ATOM 1090 CB PRO A 71 7.905 -2.206 -10.536 1.00 0.00 C ATOM 1091 CG PRO A 71 9.242 -2.477 -9.920 1.00 0.00 C ATOM 1092 CD PRO A 71 9.370 -1.608 -8.692 1.00 0.00 C ATOM 0 HA PRO A 71 6.278 -0.989 -9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.487 -3.108 -10.983 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.979 -1.462 -11.329 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.333 -3.530 -9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.041 -2.257 -10.628 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.773 -2.168 -7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.042 -0.768 -8.867 1.00 0.00 H new ATOM 1100 N SER A 72 6.382 -2.968 -7.418 1.00 0.00 N ATOM 1101 CA SER A 72 5.693 -4.116 -6.762 1.00 0.00 C ATOM 1102 C SER A 72 4.405 -3.618 -6.098 1.00 0.00 C ATOM 1103 O SER A 72 4.321 -3.449 -4.893 1.00 0.00 O ATOM 1104 CB SER A 72 6.681 -4.535 -5.649 1.00 0.00 C ATOM 1105 OG SER A 72 7.328 -5.753 -6.003 1.00 0.00 O ATOM 0 H SER A 72 6.854 -2.312 -6.796 1.00 0.00 H new ATOM 0 HA SER A 72 5.440 -4.918 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.423 -3.751 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.148 -4.658 -4.706 1.00 0.00 H new ATOM 0 HG SER A 72 6.796 -6.511 -5.683 1.00 0.00 H new ATOM 1111 N ARG A 73 3.367 -3.512 -6.883 1.00 0.00 N ATOM 1112 CA ARG A 73 2.050 -3.093 -6.334 1.00 0.00 C ATOM 1113 C ARG A 73 1.360 -4.300 -5.699 1.00 0.00 C ATOM 1114 O ARG A 73 0.784 -4.199 -4.638 1.00 0.00 O ATOM 1115 CB ARG A 73 1.248 -2.573 -7.529 1.00 0.00 C ATOM 1116 CG ARG A 73 1.490 -3.466 -8.744 1.00 0.00 C ATOM 1117 CD ARG A 73 2.361 -2.724 -9.760 1.00 0.00 C ATOM 1118 NE ARG A 73 3.316 -3.747 -10.268 1.00 0.00 N ATOM 1119 CZ ARG A 73 3.126 -4.291 -11.439 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.635 -3.583 -12.417 1.00 0.00 N ATOM 1121 NH2 ARG A 73 3.429 -5.547 -11.630 1.00 0.00 N ATOM 0 H ARG A 73 3.377 -3.699 -7.886 1.00 0.00 H new ATOM 0 HA ARG A 73 2.144 -2.327 -5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.186 -2.555 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.540 -1.548 -7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.979 -4.391 -8.437 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.539 -3.744 -9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.759 -2.310 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.886 -1.890 -9.295 1.00 0.00 H new ATOM 0 HE ARG A 73 4.118 -4.022 -9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.399 -2.602 -12.268 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.487 -4.010 -13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.813 -6.101 -10.865 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.281 -5.974 -12.544 1.00 0.00 H new ATOM 1135 N GLU A 74 1.436 -5.441 -6.325 1.00 0.00 N ATOM 1136 CA GLU A 74 0.798 -6.645 -5.731 1.00 0.00 C ATOM 1137 C GLU A 74 1.103 -6.670 -4.243 1.00 0.00 C ATOM 1138 O GLU A 74 0.344 -7.178 -3.441 1.00 0.00 O ATOM 1139 CB GLU A 74 1.422 -7.842 -6.446 1.00 0.00 C ATOM 1140 CG GLU A 74 0.335 -8.877 -6.745 1.00 0.00 C ATOM 1141 CD GLU A 74 0.322 -9.185 -8.244 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.676 -8.306 -9.013 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -0.039 -10.295 -8.597 1.00 0.00 O ATOM 0 H GLU A 74 1.909 -5.590 -7.216 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.286 -6.655 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.897 -7.519 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.201 -8.285 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.520 -9.789 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.638 -8.499 -6.432 1.00 0.00 H new ATOM 1150 N GLU A 75 2.219 -6.120 -3.872 1.00 0.00 N ATOM 1151 CA GLU A 75 2.593 -6.088 -2.444 1.00 0.00 C ATOM 1152 C GLU A 75 1.416 -5.557 -1.631 1.00 0.00 C ATOM 1153 O GLU A 75 1.039 -6.116 -0.620 1.00 0.00 O ATOM 1154 CB GLU A 75 3.764 -5.117 -2.408 1.00 0.00 C ATOM 1155 CG GLU A 75 5.049 -5.876 -2.732 1.00 0.00 C ATOM 1156 CD GLU A 75 4.847 -6.702 -4.006 1.00 0.00 C ATOM 1157 OE1 GLU A 75 3.947 -7.526 -4.017 1.00 0.00 O ATOM 1158 OE2 GLU A 75 5.594 -6.495 -4.947 1.00 0.00 O ATOM 0 H GLU A 75 2.892 -5.688 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 75 2.851 -7.062 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.609 -4.314 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.838 -4.653 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.873 -5.176 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.318 -6.529 -1.901 1.00 0.00 H new ATOM 1165 N LEU A 76 0.813 -4.492 -2.085 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.363 -3.938 -1.361 1.00 0.00 C ATOM 1167 C LEU A 76 -1.451 -5.005 -1.281 1.00 0.00 C ATOM 1168 O LEU A 76 -2.084 -5.193 -0.262 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.842 -2.764 -2.214 1.00 0.00 C ATOM 1170 CG LEU A 76 0.056 -1.552 -1.974 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.144 -0.541 -3.105 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.312 -0.902 -0.640 1.00 0.00 C ATOM 0 H LEU A 76 1.085 -3.983 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.121 -3.627 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.825 -3.038 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.874 -2.519 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 76 1.098 -1.870 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.496 0.325 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.116 -1.004 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.186 -0.223 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.328 -0.037 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.354 -0.583 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.173 -1.622 0.166 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.666 -5.710 -2.356 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.712 -6.772 -2.353 1.00 0.00 C ATOM 1186 C PHE A 77 -2.397 -7.823 -1.281 1.00 0.00 C ATOM 1187 O PHE A 77 -3.277 -8.377 -0.663 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.654 -7.390 -3.754 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.359 -8.869 -3.646 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.324 -9.738 -3.129 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.120 -9.368 -4.058 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -3.051 -11.104 -3.025 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -0.847 -10.734 -3.954 1.00 0.00 C ATOM 1194 CZ PHE A 77 -1.812 -11.603 -3.438 1.00 0.00 C ATOM 0 H PHE A 77 -1.163 -5.598 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.702 -6.378 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.602 -7.235 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.884 -6.898 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.281 -9.353 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.373 -8.697 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.797 -11.775 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.111 -11.119 -4.273 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.601 -12.659 -3.358 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.138 -8.091 -1.070 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.738 -9.081 -0.036 1.00 0.00 C ATOM 1206 C GLU A 78 -0.754 -8.437 1.352 1.00 0.00 C ATOM 1207 O GLU A 78 -0.889 -9.109 2.358 1.00 0.00 O ATOM 1208 CB GLU A 78 0.660 -9.550 -0.435 1.00 0.00 C ATOM 1209 CG GLU A 78 1.080 -10.711 0.466 1.00 0.00 C ATOM 1210 CD GLU A 78 1.783 -11.778 -0.374 1.00 0.00 C ATOM 1211 OE1 GLU A 78 1.202 -12.210 -1.357 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.891 -12.146 -0.021 1.00 0.00 O ATOM 0 H GLU A 78 -0.363 -7.661 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.426 -9.925 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.667 -9.864 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.371 -8.729 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.746 -10.354 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.206 -11.138 0.959 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.562 -7.148 1.421 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.527 -6.470 2.748 1.00 0.00 C ATOM 1221 C ALA A 79 -1.940 -6.349 3.302 1.00 0.00 C ATOM 1222 O ALA A 79 -2.171 -6.507 4.482 1.00 0.00 O ATOM 1223 CB ALA A 79 0.070 -5.090 2.477 1.00 0.00 C ATOM 0 H ALA A 79 -0.428 -6.535 0.617 1.00 0.00 H new ATOM 0 HA ALA A 79 0.059 -7.022 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.128 -4.529 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.070 -5.202 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.562 -4.553 1.769 1.00 0.00 H new ATOM 1229 N ILE A 80 -2.900 -6.096 2.457 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.302 -5.994 2.945 1.00 0.00 C ATOM 1231 C ILE A 80 -4.760 -7.360 3.460 1.00 0.00 C ATOM 1232 O ILE A 80 -5.437 -7.464 4.458 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.121 -5.546 1.738 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -4.846 -4.062 1.477 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.609 -5.745 2.029 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.438 -3.712 1.962 1.00 0.00 C ATOM 0 H ILE A 80 -2.775 -5.956 1.454 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.414 -5.290 3.770 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.844 -6.134 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.940 -3.845 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.584 -3.448 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.194 -5.425 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.803 -6.799 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.892 -5.153 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.241 -2.656 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.361 -3.913 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.707 -4.317 1.425 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.379 -8.411 2.776 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.754 -9.784 3.208 1.00 0.00 C ATOM 1250 C ASN A 81 -3.925 -10.103 4.421 1.00 0.00 C ATOM 1251 O ASN A 81 -4.372 -10.863 5.319 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.459 -10.704 2.057 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.174 -11.469 2.356 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -2.125 -10.880 2.512 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -3.209 -12.769 2.436 1.00 0.00 N ATOM 0 H ASN A 81 -3.817 -8.370 1.926 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.807 -9.888 3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.286 -11.399 1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.352 -10.133 1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.355 -13.291 2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.091 -13.264 2.305 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.746 -9.544 4.563 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.019 -9.969 5.767 1.00 0.00 C ATOM 1264 C ASP A 82 -2.250 -8.986 6.863 1.00 0.00 C ATOM 1265 O ASP A 82 -2.280 -9.323 8.029 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.531 -9.572 5.345 1.00 0.00 C ATOM 1267 CG ASP A 82 0.137 -8.705 6.461 1.00 0.00 C ATOM 1268 OD1 ASP A 82 0.328 -9.229 7.538 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.444 -7.535 6.211 1.00 0.00 O ATOM 0 H ASP A 82 -2.296 -8.868 3.946 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.259 -10.990 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.058 -10.473 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.548 -9.018 4.406 1.00 0.00 H new ATOM 1274 N GLU A 83 -2.879 -7.869 6.511 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.509 -6.992 7.541 1.00 0.00 C ATOM 1276 C GLU A 83 -4.762 -7.637 8.133 1.00 0.00 C ATOM 1277 O GLU A 83 -4.827 -7.909 9.315 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.889 -5.728 6.760 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.794 -4.826 7.607 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.794 -5.299 9.065 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -3.729 -5.608 9.571 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.865 -5.352 9.648 1.00 0.00 O ATOM 0 H GLU A 83 -2.975 -7.540 5.550 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.841 -6.800 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.988 -5.185 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.400 -6.003 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.447 -3.794 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.810 -4.842 7.211 1.00 0.00 H new ATOM 1289 N MET A 84 -5.740 -7.886 7.313 1.00 0.00 N ATOM 1290 CA MET A 84 -6.988 -8.523 7.821 1.00 0.00 C ATOM 1291 C MET A 84 -6.736 -9.995 8.170 1.00 0.00 C ATOM 1292 O MET A 84 -7.460 -10.591 8.941 1.00 0.00 O ATOM 1293 CB MET A 84 -7.975 -8.423 6.654 1.00 0.00 C ATOM 1294 CG MET A 84 -7.819 -9.642 5.737 1.00 0.00 C ATOM 1295 SD MET A 84 -9.296 -9.814 4.704 1.00 0.00 S ATOM 1296 CE MET A 84 -8.555 -10.841 3.409 1.00 0.00 C ATOM 0 H MET A 84 -5.732 -7.678 6.315 1.00 0.00 H new ATOM 0 HA MET A 84 -7.357 -8.040 8.726 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.996 -8.369 7.032 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.795 -7.507 6.091 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.935 -9.528 5.110 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.672 -10.543 6.333 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.318 -11.115 2.680 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.762 -10.283 2.911 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.138 -11.744 3.855 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.702 -10.577 7.625 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.400 -12.002 7.937 1.00 0.00 C ATOM 1308 C GLU A 85 -3.886 -12.215 8.027 1.00 0.00 C ATOM 1309 O GLU A 85 -3.385 -12.294 9.136 1.00 0.00 O ATOM 1310 CB GLU A 85 -5.984 -12.796 6.767 1.00 0.00 C ATOM 1311 CG GLU A 85 -7.241 -13.537 7.229 1.00 0.00 C ATOM 1312 CD GLU A 85 -6.947 -14.274 8.538 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -5.848 -14.784 8.674 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.830 -14.319 9.380 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.256 -12.295 6.985 1.00 0.00 O ATOM 0 H GLU A 85 -5.054 -10.127 6.978 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.822 -12.314 8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.227 -12.125 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.247 -13.507 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.060 -12.832 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.560 -14.245 6.464 1.00 0.00 H new