USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 604 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 5 CYS SG : rot 58:sc= -1.42 USER MOD Set 1.2: A 73 ASN : amide:sc= 0.428 K(o=-0.99,f=-4.3) USER MOD Set 2.1: A 3 SER OG : rot -142:sc= 2 USER MOD Set 2.2: A 47 TYR OH : rot -15:sc= 1.03 USER MOD Single : A 1 ASN : amide:sc= 0.281 K(o=0.28,f=-2.4!) USER MOD Single : A 1 ASN N :NH3+ -171:sc= 0.312 (180deg=-0.0117) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.19) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0289 K(o=-0.029,f=-1.3!) USER MOD Single : A 10 THR OG1 : rot 56:sc= 0.571 USER MOD Single : A 12 MET CE :methyl 162:sc=-0.00516 (180deg=-0.549) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 97:sc= 0.106 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0711 USER MOD Single : A 17 CYS SG : rot -78:sc= -0.243 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.11! K(o=-1.1!,f=-0.36) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 161:sc= 0 (180deg=-0.23) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.304) USER MOD Single : A 48 ASN : amide:sc= 0.487 K(o=0.49,f=-0.81) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 MET CE :methyl 136:sc= -0.027 (180deg=-0.249) USER MOD Single : A 69 THR OG1 : rot -20:sc= 0.877 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -16.491 -0.363 8.045 1.00 3.42 N ATOM 2 CA ASN A 1 -15.727 -0.892 9.190 1.00 2.55 C ATOM 3 C ASN A 1 -14.270 -0.522 8.965 1.00 2.28 C ATOM 4 O ASN A 1 -14.037 0.505 8.328 1.00 3.43 O ATOM 5 CB ASN A 1 -15.963 -2.399 9.404 1.00 2.21 C ATOM 6 CG ASN A 1 -17.453 -2.721 9.356 1.00 2.83 C ATOM 7 OD1 ASN A 1 -18.271 -1.836 9.590 1.00 3.95 O ATOM 8 ND2 ASN A 1 -17.818 -3.929 8.949 1.00 2.99 N ATOM 0 H1 ASN A 1 -17.509 -0.460 8.232 1.00 3.42 H new ATOM 0 H2 ASN A 1 -16.259 0.641 7.907 1.00 3.42 H new ATOM 0 H3 ASN A 1 -16.244 -0.896 7.187 1.00 3.42 H new ATOM 0 HA ASN A 1 -16.068 -0.445 10.124 1.00 2.55 H new ATOM 0 HB2 ASN A 1 -15.438 -2.967 8.637 1.00 2.21 H new ATOM 0 HB3 ASN A 1 -15.550 -2.704 10.365 1.00 2.21 H new ATOM 0 HD21 ASN A 1 -18.806 -4.147 8.821 1.00 2.99 H new ATOM 0 HD22 ASN A 1 -17.111 -4.640 8.764 1.00 2.99 H new ATOM 17 N SER A 2 -13.317 -1.325 9.430 1.00 1.59 N ATOM 18 CA SER A 2 -11.893 -1.071 9.317 1.00 1.47 C ATOM 19 C SER A 2 -11.213 -2.417 9.074 1.00 0.74 C ATOM 20 O SER A 2 -11.721 -3.440 9.526 1.00 1.30 O ATOM 21 CB SER A 2 -11.418 -0.418 10.622 1.00 2.34 C ATOM 22 OG SER A 2 -12.024 -1.050 11.736 1.00 3.37 O ATOM 0 H SER A 2 -13.527 -2.199 9.912 1.00 1.59 H new ATOM 0 HA SER A 2 -11.651 -0.397 8.495 1.00 1.47 H new ATOM 0 HB2 SER A 2 -10.333 -0.491 10.699 1.00 2.34 H new ATOM 0 HB3 SER A 2 -11.667 0.643 10.617 1.00 2.34 H new ATOM 0 HG SER A 2 -11.712 -0.626 12.562 1.00 3.37 H new ATOM 28 N SER A 3 -10.098 -2.436 8.340 1.00 0.87 N ATOM 29 CA SER A 3 -9.384 -3.666 8.042 1.00 0.69 C ATOM 30 C SER A 3 -7.913 -3.330 7.810 1.00 0.48 C ATOM 31 O SER A 3 -7.629 -2.408 7.047 1.00 0.58 O ATOM 32 CB SER A 3 -10.037 -4.308 6.811 1.00 1.58 C ATOM 33 OG SER A 3 -9.446 -5.544 6.485 1.00 2.03 O ATOM 0 H SER A 3 -9.672 -1.600 7.940 1.00 0.87 H new ATOM 0 HA SER A 3 -9.435 -4.378 8.865 1.00 0.69 H new ATOM 0 HB2 SER A 3 -11.101 -4.453 6.999 1.00 1.58 H new ATOM 0 HB3 SER A 3 -9.953 -3.631 5.961 1.00 1.58 H new ATOM 0 HG SER A 3 -9.394 -5.635 5.511 1.00 2.03 H new ATOM 39 N LYS A 4 -6.985 -4.020 8.485 1.00 0.41 N ATOM 40 CA LYS A 4 -5.558 -3.835 8.237 1.00 0.48 C ATOM 41 C LYS A 4 -5.154 -4.737 7.077 1.00 0.48 C ATOM 42 O LYS A 4 -5.302 -5.955 7.156 1.00 0.71 O ATOM 43 CB LYS A 4 -4.684 -4.130 9.472 1.00 0.69 C ATOM 44 CG LYS A 4 -4.730 -3.013 10.529 1.00 1.35 C ATOM 45 CD LYS A 4 -3.499 -3.005 11.463 1.00 1.73 C ATOM 46 CE LYS A 4 -2.165 -2.803 10.707 1.00 2.59 C ATOM 47 NZ LYS A 4 -1.149 -2.035 11.465 1.00 3.18 N ATOM 0 H LYS A 4 -7.201 -4.709 9.205 1.00 0.41 H new ATOM 0 HA LYS A 4 -5.391 -2.785 7.995 1.00 0.48 H new ATOM 0 HB2 LYS A 4 -5.012 -5.065 9.926 1.00 0.69 H new ATOM 0 HB3 LYS A 4 -3.652 -4.276 9.152 1.00 0.69 H new ATOM 0 HG2 LYS A 4 -4.802 -2.049 10.026 1.00 1.35 H new ATOM 0 HG3 LYS A 4 -5.632 -3.127 11.130 1.00 1.35 H new ATOM 0 HD2 LYS A 4 -3.615 -2.211 12.201 1.00 1.73 H new ATOM 0 HD3 LYS A 4 -3.460 -3.946 12.011 1.00 1.73 H new ATOM 0 HE2 LYS A 4 -1.752 -3.779 10.454 1.00 2.59 H new ATOM 0 HE3 LYS A 4 -2.367 -2.289 9.767 1.00 2.59 H new ATOM 0 HZ1 LYS A 4 -0.332 -1.840 10.851 1.00 3.18 H new ATOM 0 HZ2 LYS A 4 -1.562 -1.137 11.787 1.00 3.18 H new ATOM 0 HZ3 LYS A 4 -0.839 -2.589 12.289 1.00 3.18 H new ATOM 61 N CYS A 5 -4.623 -4.140 6.011 1.00 0.46 N ATOM 62 CA CYS A 5 -3.992 -4.872 4.932 1.00 0.57 C ATOM 63 C CYS A 5 -2.509 -4.975 5.241 1.00 0.66 C ATOM 64 O CYS A 5 -1.887 -3.964 5.571 1.00 0.84 O ATOM 65 CB CYS A 5 -4.172 -4.139 3.606 1.00 0.81 C ATOM 66 SG CYS A 5 -4.343 -5.378 2.325 1.00 1.65 S ATOM 0 H CYS A 5 -4.622 -3.129 5.878 1.00 0.46 H new ATOM 0 HA CYS A 5 -4.447 -5.859 4.847 1.00 0.57 H new ATOM 0 HB2 CYS A 5 -5.053 -3.498 3.639 1.00 0.81 H new ATOM 0 HB3 CYS A 5 -3.316 -3.495 3.405 1.00 0.81 H new ATOM 0 HG CYS A 5 -5.354 -6.148 2.598 1.00 1.65 H new ATOM 72 N TYR A 6 -1.936 -6.173 5.146 1.00 0.58 N ATOM 73 CA TYR A 6 -0.519 -6.364 5.375 1.00 0.63 C ATOM 74 C TYR A 6 0.095 -6.603 4.003 1.00 0.71 C ATOM 75 O TYR A 6 -0.002 -7.695 3.454 1.00 1.10 O ATOM 76 CB TYR A 6 -0.327 -7.525 6.352 1.00 0.75 C ATOM 77 CG TYR A 6 1.016 -7.549 7.049 1.00 0.99 C ATOM 78 CD1 TYR A 6 2.202 -7.722 6.311 1.00 2.47 C ATOM 79 CD2 TYR A 6 1.081 -7.372 8.444 1.00 1.80 C ATOM 80 CE1 TYR A 6 3.444 -7.670 6.962 1.00 3.18 C ATOM 81 CE2 TYR A 6 2.325 -7.320 9.092 1.00 2.07 C ATOM 82 CZ TYR A 6 3.508 -7.455 8.349 1.00 2.45 C ATOM 83 OH TYR A 6 4.719 -7.387 8.974 1.00 3.26 O ATOM 0 H TYR A 6 -2.442 -7.027 4.910 1.00 0.58 H new ATOM 0 HA TYR A 6 -0.027 -5.507 5.835 1.00 0.63 H new ATOM 0 HB2 TYR A 6 -1.112 -7.481 7.107 1.00 0.75 H new ATOM 0 HB3 TYR A 6 -0.457 -8.462 5.811 1.00 0.75 H new ATOM 0 HD1 TYR A 6 2.156 -7.894 5.246 1.00 2.47 H new ATOM 0 HD2 TYR A 6 0.171 -7.276 9.017 1.00 1.80 H new ATOM 0 HE1 TYR A 6 4.354 -7.796 6.395 1.00 3.18 H new ATOM 0 HE2 TYR A 6 2.372 -7.176 10.161 1.00 2.07 H new ATOM 0 HH TYR A 6 4.584 -7.233 9.932 1.00 3.26 H new ATOM 93 N ILE A 7 0.676 -5.566 3.412 1.00 0.47 N ATOM 94 CA ILE A 7 1.304 -5.645 2.108 1.00 0.47 C ATOM 95 C ILE A 7 2.811 -5.758 2.338 1.00 0.46 C ATOM 96 O ILE A 7 3.336 -5.240 3.327 1.00 0.50 O ATOM 97 CB ILE A 7 0.884 -4.437 1.240 1.00 0.48 C ATOM 98 CG1 ILE A 7 -0.635 -4.219 1.363 1.00 0.66 C ATOM 99 CG2 ILE A 7 1.277 -4.634 -0.233 1.00 0.47 C ATOM 100 CD1 ILE A 7 -1.225 -3.296 0.292 1.00 0.72 C ATOM 0 H ILE A 7 0.722 -4.638 3.833 1.00 0.47 H new ATOM 0 HA ILE A 7 0.981 -6.521 1.546 1.00 0.47 H new ATOM 0 HB ILE A 7 1.411 -3.555 1.604 1.00 0.48 H new ATOM 0 HG12 ILE A 7 -1.135 -5.186 1.309 1.00 0.66 H new ATOM 0 HG13 ILE A 7 -0.853 -3.802 2.346 1.00 0.66 H new ATOM 0 HG21 ILE A 7 0.966 -3.765 -0.812 1.00 0.47 H new ATOM 0 HG22 ILE A 7 2.358 -4.752 -0.309 1.00 0.47 H new ATOM 0 HG23 ILE A 7 0.787 -5.525 -0.624 1.00 0.47 H new ATOM 0 HD11 ILE A 7 -2.299 -3.195 0.450 1.00 0.72 H new ATOM 0 HD12 ILE A 7 -0.755 -2.315 0.358 1.00 0.72 H new ATOM 0 HD13 ILE A 7 -1.042 -3.720 -0.695 1.00 0.72 H new ATOM 112 N GLN A 8 3.518 -6.444 1.440 1.00 0.50 N ATOM 113 CA GLN A 8 4.966 -6.365 1.363 1.00 0.52 C ATOM 114 C GLN A 8 5.367 -5.913 -0.037 1.00 0.53 C ATOM 115 O GLN A 8 4.586 -6.037 -0.987 1.00 0.51 O ATOM 116 CB GLN A 8 5.626 -7.686 1.776 1.00 0.59 C ATOM 117 CG GLN A 8 5.115 -8.141 3.153 1.00 2.10 C ATOM 118 CD GLN A 8 5.999 -9.203 3.802 1.00 1.80 C ATOM 119 OE1 GLN A 8 7.138 -9.420 3.403 1.00 1.31 O ATOM 120 NE2 GLN A 8 5.497 -9.858 4.843 1.00 3.30 N ATOM 0 H GLN A 8 3.099 -7.067 0.750 1.00 0.50 H new ATOM 0 HA GLN A 8 5.329 -5.624 2.075 1.00 0.52 H new ATOM 0 HB2 GLN A 8 5.413 -8.453 1.032 1.00 0.59 H new ATOM 0 HB3 GLN A 8 6.709 -7.564 1.806 1.00 0.59 H new ATOM 0 HG2 GLN A 8 5.052 -7.276 3.814 1.00 2.10 H new ATOM 0 HG3 GLN A 8 4.104 -8.535 3.046 1.00 2.10 H new ATOM 0 HE21 GLN A 8 4.547 -9.662 5.159 1.00 3.30 H new ATOM 0 HE22 GLN A 8 6.061 -10.557 5.326 1.00 3.30 H new ATOM 129 N VAL A 9 6.572 -5.351 -0.140 1.00 0.61 N ATOM 130 CA VAL A 9 7.142 -4.842 -1.379 1.00 0.67 C ATOM 131 C VAL A 9 8.601 -5.294 -1.413 1.00 0.68 C ATOM 132 O VAL A 9 9.210 -5.463 -0.359 1.00 0.92 O ATOM 133 CB VAL A 9 7.013 -3.306 -1.430 1.00 0.79 C ATOM 134 CG1 VAL A 9 7.576 -2.732 -2.738 1.00 1.69 C ATOM 135 CG2 VAL A 9 5.554 -2.848 -1.292 1.00 1.92 C ATOM 0 H VAL A 9 7.193 -5.236 0.661 1.00 0.61 H new ATOM 0 HA VAL A 9 6.615 -5.227 -2.252 1.00 0.67 H new ATOM 0 HB VAL A 9 7.592 -2.931 -0.586 1.00 0.79 H new ATOM 0 HG11 VAL A 9 7.467 -1.647 -2.736 1.00 1.69 H new ATOM 0 HG12 VAL A 9 8.631 -2.990 -2.824 1.00 1.69 H new ATOM 0 HG13 VAL A 9 7.030 -3.150 -3.584 1.00 1.69 H new ATOM 0 HG21 VAL A 9 5.509 -1.760 -1.333 1.00 1.92 H new ATOM 0 HG22 VAL A 9 4.963 -3.267 -2.106 1.00 1.92 H new ATOM 0 HG23 VAL A 9 5.153 -3.192 -0.338 1.00 1.92 H new ATOM 145 N THR A 10 9.161 -5.508 -2.604 1.00 0.68 N ATOM 146 CA THR A 10 10.532 -5.963 -2.778 1.00 0.81 C ATOM 147 C THR A 10 11.335 -4.874 -3.485 1.00 0.88 C ATOM 148 O THR A 10 11.575 -4.961 -4.687 1.00 1.07 O ATOM 149 CB THR A 10 10.512 -7.283 -3.558 1.00 1.04 C ATOM 150 OG1 THR A 10 9.860 -7.078 -4.795 1.00 1.67 O ATOM 151 CG2 THR A 10 9.768 -8.372 -2.777 1.00 1.99 C ATOM 0 H THR A 10 8.665 -5.367 -3.484 1.00 0.68 H new ATOM 0 HA THR A 10 11.015 -6.149 -1.819 1.00 0.81 H new ATOM 0 HB THR A 10 11.540 -7.608 -3.715 1.00 1.04 H new ATOM 0 HG1 THR A 10 10.305 -6.354 -5.284 1.00 1.67 H new ATOM 0 HG21 THR A 10 9.769 -9.298 -3.353 1.00 1.99 H new ATOM 0 HG22 THR A 10 10.265 -8.539 -1.822 1.00 1.99 H new ATOM 0 HG23 THR A 10 8.740 -8.055 -2.601 1.00 1.99 H new ATOM 159 N GLY A 11 11.732 -3.852 -2.722 1.00 0.98 N ATOM 160 CA GLY A 11 12.599 -2.771 -3.175 1.00 1.11 C ATOM 161 C GLY A 11 11.999 -1.404 -2.865 1.00 1.22 C ATOM 162 O GLY A 11 12.279 -0.420 -3.541 1.00 1.55 O ATOM 0 H GLY A 11 11.449 -3.755 -1.747 1.00 0.98 H new ATOM 0 HA2 GLY A 11 13.573 -2.859 -2.694 1.00 1.11 H new ATOM 0 HA3 GLY A 11 12.764 -2.862 -4.249 1.00 1.11 H new ATOM 166 N MET A 12 11.187 -1.338 -1.808 1.00 1.31 N ATOM 167 CA MET A 12 10.654 -0.093 -1.292 1.00 1.60 C ATOM 168 C MET A 12 11.760 0.828 -0.767 1.00 1.79 C ATOM 169 O MET A 12 11.638 2.049 -0.830 1.00 2.51 O ATOM 170 CB MET A 12 9.580 -0.359 -0.231 1.00 2.13 C ATOM 171 CG MET A 12 10.021 -1.095 1.044 1.00 2.35 C ATOM 172 SD MET A 12 10.215 -2.892 0.927 1.00 4.15 S ATOM 173 CE MET A 12 12.004 -3.089 1.082 1.00 5.16 C ATOM 0 H MET A 12 10.883 -2.160 -1.287 1.00 1.31 H new ATOM 0 HA MET A 12 10.179 0.433 -2.120 1.00 1.60 H new ATOM 0 HB2 MET A 12 9.151 0.599 0.063 1.00 2.13 H new ATOM 0 HB3 MET A 12 8.781 -0.937 -0.696 1.00 2.13 H new ATOM 0 HG2 MET A 12 10.971 -0.672 1.369 1.00 2.35 H new ATOM 0 HG3 MET A 12 9.293 -0.883 1.827 1.00 2.35 H new ATOM 0 HE1 MET A 12 12.235 -4.121 1.346 1.00 5.16 H new ATOM 0 HE2 MET A 12 12.481 -2.842 0.134 1.00 5.16 H new ATOM 0 HE3 MET A 12 12.377 -2.423 1.860 1.00 5.16 H new ATOM 183 N THR A 13 12.840 0.245 -0.233 1.00 2.06 N ATOM 184 CA THR A 13 13.964 0.972 0.347 1.00 3.02 C ATOM 185 C THR A 13 14.849 1.554 -0.762 1.00 2.40 C ATOM 186 O THR A 13 16.026 1.222 -0.881 1.00 3.11 O ATOM 187 CB THR A 13 14.677 0.094 1.398 1.00 4.35 C ATOM 188 OG1 THR A 13 15.567 0.875 2.166 1.00 5.39 O ATOM 189 CG2 THR A 13 15.411 -1.135 0.843 1.00 5.11 C ATOM 0 H THR A 13 12.954 -0.768 -0.194 1.00 2.06 H new ATOM 0 HA THR A 13 13.623 1.844 0.905 1.00 3.02 H new ATOM 0 HB THR A 13 13.873 -0.305 2.017 1.00 4.35 H new ATOM 0 HG1 THR A 13 16.012 0.307 2.830 1.00 5.39 H new ATOM 0 HG21 THR A 13 15.877 -1.682 1.663 1.00 5.11 H new ATOM 0 HG22 THR A 13 14.700 -1.784 0.332 1.00 5.11 H new ATOM 0 HG23 THR A 13 16.179 -0.813 0.139 1.00 5.11 H new ATOM 197 N CYS A 14 14.258 2.416 -1.597 1.00 1.43 N ATOM 198 CA CYS A 14 14.929 3.005 -2.746 1.00 1.06 C ATOM 199 C CYS A 14 15.276 4.462 -2.453 1.00 1.46 C ATOM 200 O CYS A 14 16.381 4.760 -2.009 1.00 3.10 O ATOM 201 CB CYS A 14 14.090 2.830 -4.026 1.00 1.26 C ATOM 202 SG CYS A 14 14.716 1.417 -4.968 1.00 2.29 S ATOM 0 H CYS A 14 13.291 2.723 -1.487 1.00 1.43 H new ATOM 0 HA CYS A 14 15.867 2.479 -2.927 1.00 1.06 H new ATOM 0 HB2 CYS A 14 13.042 2.674 -3.769 1.00 1.26 H new ATOM 0 HB3 CYS A 14 14.138 3.735 -4.632 1.00 1.26 H new ATOM 0 HG CYS A 14 13.999 0.366 -4.701 1.00 2.29 H new ATOM 208 N ALA A 15 14.334 5.377 -2.697 1.00 1.50 N ATOM 209 CA ALA A 15 14.525 6.807 -2.508 1.00 2.02 C ATOM 210 C ALA A 15 13.147 7.456 -2.435 1.00 1.94 C ATOM 211 O ALA A 15 12.558 7.747 -3.472 1.00 3.38 O ATOM 212 CB ALA A 15 15.359 7.389 -3.657 1.00 2.78 C ATOM 0 H ALA A 15 13.403 5.135 -3.037 1.00 1.50 H new ATOM 0 HA ALA A 15 15.071 7.005 -1.585 1.00 2.02 H new ATOM 0 HB1 ALA A 15 15.494 8.460 -3.503 1.00 2.78 H new ATOM 0 HB2 ALA A 15 16.333 6.900 -3.683 1.00 2.78 H new ATOM 0 HB3 ALA A 15 14.843 7.221 -4.602 1.00 2.78 H new ATOM 218 N SER A 16 12.622 7.594 -1.211 1.00 0.91 N ATOM 219 CA SER A 16 11.333 8.211 -0.898 1.00 0.96 C ATOM 220 C SER A 16 10.207 7.793 -1.855 1.00 1.10 C ATOM 221 O SER A 16 9.303 8.576 -2.141 1.00 2.03 O ATOM 222 CB SER A 16 11.492 9.738 -0.774 1.00 1.41 C ATOM 223 OG SER A 16 12.252 10.275 -1.841 1.00 1.54 O ATOM 0 H SER A 16 13.108 7.263 -0.377 1.00 0.91 H new ATOM 0 HA SER A 16 11.011 7.830 0.071 1.00 0.96 H new ATOM 0 HB2 SER A 16 10.508 10.206 -0.757 1.00 1.41 H new ATOM 0 HB3 SER A 16 11.975 9.978 0.173 1.00 1.41 H new ATOM 0 HG SER A 16 12.331 11.246 -1.730 1.00 1.54 H new ATOM 229 N CYS A 17 10.216 6.536 -2.311 1.00 0.73 N ATOM 230 CA CYS A 17 9.202 6.065 -3.244 1.00 0.82 C ATOM 231 C CYS A 17 7.909 5.829 -2.473 1.00 0.71 C ATOM 232 O CYS A 17 6.853 6.304 -2.888 1.00 0.75 O ATOM 233 CB CYS A 17 9.685 4.856 -4.058 1.00 1.03 C ATOM 234 SG CYS A 17 9.635 3.308 -3.125 1.00 2.46 S ATOM 0 H CYS A 17 10.910 5.836 -2.049 1.00 0.73 H new ATOM 0 HA CYS A 17 9.003 6.824 -4.000 1.00 0.82 H new ATOM 0 HB2 CYS A 17 9.067 4.756 -4.950 1.00 1.03 H new ATOM 0 HB3 CYS A 17 10.705 5.037 -4.396 1.00 1.03 H new ATOM 0 HG CYS A 17 10.657 3.251 -2.324 1.00 2.46 H new ATOM 240 N VAL A 18 7.999 5.159 -1.316 1.00 0.64 N ATOM 241 CA VAL A 18 6.850 4.908 -0.466 1.00 0.59 C ATOM 242 C VAL A 18 6.101 6.205 -0.193 1.00 0.52 C ATOM 243 O VAL A 18 4.901 6.250 -0.413 1.00 0.54 O ATOM 244 CB VAL A 18 7.217 4.141 0.812 1.00 0.63 C ATOM 245 CG1 VAL A 18 7.655 2.719 0.456 1.00 2.74 C ATOM 246 CG2 VAL A 18 8.276 4.782 1.713 1.00 2.22 C ATOM 0 H VAL A 18 8.874 4.780 -0.952 1.00 0.64 H new ATOM 0 HA VAL A 18 6.171 4.246 -1.003 1.00 0.59 H new ATOM 0 HB VAL A 18 6.301 4.155 1.403 1.00 0.63 H new ATOM 0 HG11 VAL A 18 7.914 2.179 1.367 1.00 2.74 H new ATOM 0 HG12 VAL A 18 6.840 2.203 -0.052 1.00 2.74 H new ATOM 0 HG13 VAL A 18 8.524 2.760 -0.201 1.00 2.74 H new ATOM 0 HG21 VAL A 18 8.448 4.146 2.582 1.00 2.22 H new ATOM 0 HG22 VAL A 18 9.206 4.896 1.157 1.00 2.22 H new ATOM 0 HG23 VAL A 18 7.929 5.761 2.043 1.00 2.22 H new ATOM 256 N ALA A 19 6.813 7.275 0.161 1.00 0.55 N ATOM 257 CA ALA A 19 6.233 8.589 0.409 1.00 0.57 C ATOM 258 C ALA A 19 5.172 8.971 -0.633 1.00 0.53 C ATOM 259 O ALA A 19 4.087 9.423 -0.270 1.00 0.55 O ATOM 260 CB ALA A 19 7.339 9.646 0.473 1.00 0.66 C ATOM 0 H ALA A 19 7.825 7.250 0.285 1.00 0.55 H new ATOM 0 HA ALA A 19 5.722 8.544 1.371 1.00 0.57 H new ATOM 0 HB1 ALA A 19 6.897 10.625 0.659 1.00 0.66 H new ATOM 0 HB2 ALA A 19 8.030 9.401 1.280 1.00 0.66 H new ATOM 0 HB3 ALA A 19 7.879 9.666 -0.474 1.00 0.66 H new ATOM 266 N ASN A 20 5.459 8.784 -1.928 1.00 0.54 N ATOM 267 CA ASN A 20 4.491 9.092 -2.979 1.00 0.57 C ATOM 268 C ASN A 20 3.241 8.226 -2.830 1.00 0.53 C ATOM 269 O ASN A 20 2.124 8.739 -2.792 1.00 0.57 O ATOM 270 CB ASN A 20 5.110 8.897 -4.367 1.00 0.65 C ATOM 271 CG ASN A 20 4.044 9.045 -5.452 1.00 0.67 C ATOM 272 OD1 ASN A 20 3.617 10.152 -5.757 1.00 1.06 O ATOM 273 ND2 ASN A 20 3.595 7.934 -6.032 1.00 0.98 N ATOM 0 H ASN A 20 6.350 8.423 -2.268 1.00 0.54 H new ATOM 0 HA ASN A 20 4.204 10.138 -2.876 1.00 0.57 H new ATOM 0 HB2 ASN A 20 5.902 9.629 -4.525 1.00 0.65 H new ATOM 0 HB3 ASN A 20 5.569 7.911 -4.432 1.00 0.65 H new ATOM 0 HD21 ASN A 20 2.875 7.990 -6.753 1.00 0.98 H new ATOM 0 HD22 ASN A 20 3.971 7.027 -5.756 1.00 0.98 H new ATOM 280 N ILE A 21 3.441 6.910 -2.760 1.00 0.52 N ATOM 281 CA ILE A 21 2.375 5.935 -2.583 1.00 0.55 C ATOM 282 C ILE A 21 1.562 6.317 -1.336 1.00 0.50 C ATOM 283 O ILE A 21 0.359 6.540 -1.441 1.00 0.64 O ATOM 284 CB ILE A 21 3.016 4.517 -2.525 1.00 0.61 C ATOM 285 CG1 ILE A 21 3.457 3.989 -3.906 1.00 0.70 C ATOM 286 CG2 ILE A 21 2.126 3.437 -1.914 1.00 0.66 C ATOM 287 CD1 ILE A 21 4.904 4.358 -4.239 1.00 1.92 C ATOM 0 H ILE A 21 4.367 6.488 -2.826 1.00 0.52 H new ATOM 0 HA ILE A 21 1.671 5.926 -3.415 1.00 0.55 H new ATOM 0 HB ILE A 21 3.877 4.686 -1.878 1.00 0.61 H new ATOM 0 HG12 ILE A 21 3.347 2.905 -3.929 1.00 0.70 H new ATOM 0 HG13 ILE A 21 2.797 4.392 -4.674 1.00 0.70 H new ATOM 0 HG21 ILE A 21 2.656 2.485 -1.916 1.00 0.66 H new ATOM 0 HG22 ILE A 21 1.874 3.710 -0.889 1.00 0.66 H new ATOM 0 HG23 ILE A 21 1.212 3.345 -2.500 1.00 0.66 H new ATOM 0 HD11 ILE A 21 5.164 3.963 -5.221 1.00 1.92 H new ATOM 0 HD12 ILE A 21 5.011 5.443 -4.245 1.00 1.92 H new ATOM 0 HD13 ILE A 21 5.570 3.932 -3.489 1.00 1.92 H new ATOM 299 N GLU A 22 2.189 6.447 -0.169 1.00 0.47 N ATOM 300 CA GLU A 22 1.573 6.895 1.071 1.00 0.49 C ATOM 301 C GLU A 22 0.703 8.134 0.856 1.00 0.50 C ATOM 302 O GLU A 22 -0.481 8.144 1.189 1.00 0.63 O ATOM 303 CB GLU A 22 2.670 7.212 2.091 1.00 0.66 C ATOM 304 CG GLU A 22 3.415 5.964 2.564 1.00 0.89 C ATOM 305 CD GLU A 22 4.582 6.361 3.455 1.00 1.16 C ATOM 306 OE1 GLU A 22 4.299 6.861 4.564 1.00 1.47 O ATOM 307 OE2 GLU A 22 5.731 6.209 2.990 1.00 2.38 O ATOM 0 H GLU A 22 3.181 6.234 -0.061 1.00 0.47 H new ATOM 0 HA GLU A 22 0.930 6.096 1.439 1.00 0.49 H new ATOM 0 HB2 GLU A 22 3.382 7.909 1.648 1.00 0.66 H new ATOM 0 HB3 GLU A 22 2.226 7.713 2.951 1.00 0.66 H new ATOM 0 HG2 GLU A 22 2.735 5.310 3.111 1.00 0.89 H new ATOM 0 HG3 GLU A 22 3.778 5.400 1.705 1.00 0.89 H new ATOM 314 N ARG A 23 1.284 9.181 0.270 1.00 0.59 N ATOM 315 CA ARG A 23 0.582 10.430 0.019 1.00 0.78 C ATOM 316 C ARG A 23 -0.615 10.249 -0.927 1.00 0.83 C ATOM 317 O ARG A 23 -1.423 11.168 -1.061 1.00 1.29 O ATOM 318 CB ARG A 23 1.561 11.465 -0.544 1.00 0.99 C ATOM 319 CG ARG A 23 1.165 12.898 -0.168 1.00 1.32 C ATOM 320 CD ARG A 23 1.560 13.854 -1.298 1.00 1.88 C ATOM 321 NE ARG A 23 1.811 15.214 -0.798 1.00 2.46 N ATOM 322 CZ ARG A 23 2.130 16.256 -1.583 1.00 3.24 C ATOM 323 NH1 ARG A 23 2.033 16.139 -2.912 1.00 3.98 N ATOM 324 NH2 ARG A 23 2.551 17.403 -1.036 1.00 4.08 N ATOM 0 H ARG A 23 2.255 9.182 -0.042 1.00 0.59 H new ATOM 0 HA ARG A 23 0.181 10.783 0.969 1.00 0.78 H new ATOM 0 HB2 ARG A 23 2.563 11.256 -0.170 1.00 0.99 H new ATOM 0 HB3 ARG A 23 1.600 11.373 -1.629 1.00 0.99 H new ATOM 0 HG2 ARG A 23 0.091 12.954 0.011 1.00 1.32 H new ATOM 0 HG3 ARG A 23 1.658 13.191 0.759 1.00 1.32 H new ATOM 0 HD2 ARG A 23 2.454 13.479 -1.796 1.00 1.88 H new ATOM 0 HD3 ARG A 23 0.767 13.882 -2.045 1.00 1.88 H new ATOM 0 HE ARG A 23 1.738 15.376 0.206 1.00 2.46 H new ATOM 0 HH11 ARG A 23 1.718 15.261 -3.325 1.00 3.98 H new ATOM 0 HH12 ARG A 23 2.274 16.928 -3.512 1.00 3.98 H new ATOM 0 HH21 ARG A 23 2.630 17.486 -0.022 1.00 4.08 H new ATOM 0 HH22 ARG A 23 2.793 18.194 -1.633 1.00 4.08 H new ATOM 338 N ASN A 24 -0.740 9.092 -1.584 1.00 0.68 N ATOM 339 CA ASN A 24 -1.876 8.692 -2.379 1.00 0.86 C ATOM 340 C ASN A 24 -2.832 7.901 -1.456 1.00 0.93 C ATOM 341 O ASN A 24 -4.007 8.251 -1.348 1.00 1.20 O ATOM 342 CB ASN A 24 -1.316 7.928 -3.597 1.00 0.88 C ATOM 343 CG ASN A 24 -2.073 6.649 -3.859 1.00 2.19 C ATOM 344 OD1 ASN A 24 -3.096 6.630 -4.531 1.00 3.25 O ATOM 345 ND2 ASN A 24 -1.567 5.587 -3.258 1.00 2.91 N ATOM 0 H ASN A 24 -0.008 8.382 -1.567 1.00 0.68 H new ATOM 0 HA ASN A 24 -2.473 9.511 -2.781 1.00 0.86 H new ATOM 0 HB2 ASN A 24 -1.366 8.566 -4.479 1.00 0.88 H new ATOM 0 HB3 ASN A 24 -0.264 7.699 -3.429 1.00 0.88 H new ATOM 0 HD21 ASN A 24 -2.034 4.684 -3.340 1.00 2.91 H new ATOM 0 HD22 ASN A 24 -0.710 5.670 -2.712 1.00 2.91 H new ATOM 352 N LEU A 25 -2.328 6.898 -0.718 1.00 0.79 N ATOM 353 CA LEU A 25 -3.099 6.034 0.168 1.00 0.87 C ATOM 354 C LEU A 25 -3.644 6.729 1.421 1.00 1.00 C ATOM 355 O LEU A 25 -4.489 6.165 2.103 1.00 1.52 O ATOM 356 CB LEU A 25 -2.260 4.800 0.551 1.00 0.83 C ATOM 357 CG LEU A 25 -2.255 3.735 -0.562 1.00 1.00 C ATOM 358 CD1 LEU A 25 -0.875 3.453 -1.131 1.00 1.99 C ATOM 359 CD2 LEU A 25 -2.691 2.391 -0.007 1.00 1.72 C ATOM 0 H LEU A 25 -1.335 6.665 -0.728 1.00 0.79 H new ATOM 0 HA LEU A 25 -3.982 5.733 -0.396 1.00 0.87 H new ATOM 0 HB2 LEU A 25 -1.236 5.109 0.761 1.00 0.83 H new ATOM 0 HB3 LEU A 25 -2.656 4.364 1.468 1.00 0.83 H new ATOM 0 HG LEU A 25 -2.917 4.142 -1.326 1.00 1.00 H new ATOM 0 HD11 LEU A 25 -0.951 2.693 -1.909 1.00 1.99 H new ATOM 0 HD12 LEU A 25 -0.463 4.368 -1.556 1.00 1.99 H new ATOM 0 HD13 LEU A 25 -0.220 3.095 -0.337 1.00 1.99 H new ATOM 0 HD21 LEU A 25 -2.683 1.648 -0.805 1.00 1.72 H new ATOM 0 HD22 LEU A 25 -2.005 2.084 0.782 1.00 1.72 H new ATOM 0 HD23 LEU A 25 -3.699 2.475 0.400 1.00 1.72 H new ATOM 371 N ARG A 26 -3.206 7.949 1.730 1.00 0.74 N ATOM 372 CA ARG A 26 -3.662 8.814 2.824 1.00 0.81 C ATOM 373 C ARG A 26 -5.144 8.684 3.227 1.00 1.35 C ATOM 374 O ARG A 26 -5.490 8.907 4.383 1.00 1.79 O ATOM 375 CB ARG A 26 -3.375 10.265 2.422 1.00 0.83 C ATOM 376 CG ARG A 26 -3.845 10.510 0.990 1.00 2.50 C ATOM 377 CD ARG A 26 -3.920 11.989 0.614 1.00 3.33 C ATOM 378 NE ARG A 26 -4.499 12.122 -0.732 1.00 5.32 N ATOM 379 CZ ARG A 26 -4.590 13.263 -1.430 1.00 6.61 C ATOM 380 NH1 ARG A 26 -4.037 14.381 -0.946 1.00 6.32 N ATOM 381 NH2 ARG A 26 -5.244 13.284 -2.596 1.00 8.54 N ATOM 0 H ARG A 26 -2.469 8.394 1.183 1.00 0.74 H new ATOM 0 HA ARG A 26 -3.113 8.491 3.708 1.00 0.81 H new ATOM 0 HB2 ARG A 26 -3.884 10.948 3.103 1.00 0.83 H new ATOM 0 HB3 ARG A 26 -2.308 10.470 2.504 1.00 0.83 H new ATOM 0 HG2 ARG A 26 -3.168 10.003 0.303 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -4.829 10.060 0.858 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -4.529 12.529 1.339 1.00 3.33 H new ATOM 0 HD3 ARG A 26 -2.925 12.433 0.639 1.00 3.33 H new ATOM 0 HE ARG A 26 -4.861 11.275 -1.171 1.00 5.32 H new ATOM 0 HH11 ARG A 26 -3.549 14.362 -0.050 1.00 6.32 H new ATOM 0 HH12 ARG A 26 -4.103 15.252 -1.473 1.00 6.32 H new ATOM 0 HH21 ARG A 26 -5.674 12.432 -2.955 1.00 8.54 H new ATOM 0 HH22 ARG A 26 -5.313 14.152 -3.127 1.00 8.54 H new ATOM 395 N ARG A 27 -6.016 8.405 2.257 1.00 1.78 N ATOM 396 CA ARG A 27 -7.454 8.233 2.403 1.00 2.64 C ATOM 397 C ARG A 27 -8.020 7.672 1.093 1.00 1.88 C ATOM 398 O ARG A 27 -8.879 6.788 1.095 1.00 2.63 O ATOM 399 CB ARG A 27 -8.156 9.541 2.814 1.00 3.92 C ATOM 400 CG ARG A 27 -7.868 10.726 1.877 1.00 3.57 C ATOM 401 CD ARG A 27 -8.801 11.916 2.130 1.00 4.38 C ATOM 402 NE ARG A 27 -8.317 12.796 3.205 1.00 5.09 N ATOM 403 CZ ARG A 27 -8.822 14.020 3.440 1.00 5.71 C ATOM 404 NH1 ARG A 27 -9.933 14.407 2.801 1.00 5.85 N ATOM 405 NH2 ARG A 27 -8.213 14.853 4.291 1.00 6.72 N ATOM 0 H ARG A 27 -5.714 8.287 1.290 1.00 1.78 H new ATOM 0 HA ARG A 27 -7.645 7.527 3.211 1.00 2.64 H new ATOM 0 HB2 ARG A 27 -9.232 9.369 2.846 1.00 3.92 H new ATOM 0 HB3 ARG A 27 -7.845 9.806 3.825 1.00 3.92 H new ATOM 0 HG2 ARG A 27 -6.834 11.045 2.008 1.00 3.57 H new ATOM 0 HG3 ARG A 27 -7.973 10.400 0.842 1.00 3.57 H new ATOM 0 HD2 ARG A 27 -8.904 12.494 1.211 1.00 4.38 H new ATOM 0 HD3 ARG A 27 -9.794 11.546 2.387 1.00 4.38 H new ATOM 0 HE ARG A 27 -7.561 12.461 3.802 1.00 5.09 H new ATOM 0 HH11 ARG A 27 -10.389 13.775 2.143 1.00 5.85 H new ATOM 0 HH12 ARG A 27 -10.324 15.333 2.973 1.00 5.85 H new ATOM 0 HH21 ARG A 27 -7.359 14.561 4.767 1.00 6.72 H new ATOM 0 HH22 ARG A 27 -8.602 15.780 4.464 1.00 6.72 H new ATOM 419 N GLU A 28 -7.505 8.185 -0.033 1.00 1.14 N ATOM 420 CA GLU A 28 -7.926 7.791 -1.362 1.00 1.17 C ATOM 421 C GLU A 28 -9.464 7.803 -1.449 1.00 1.39 C ATOM 422 O GLU A 28 -10.079 8.740 -0.937 1.00 2.47 O ATOM 423 CB GLU A 28 -7.268 6.440 -1.632 1.00 1.15 C ATOM 424 CG GLU A 28 -7.060 6.160 -3.119 1.00 1.53 C ATOM 425 CD GLU A 28 -7.648 4.803 -3.480 1.00 1.72 C ATOM 426 OE1 GLU A 28 -8.884 4.700 -3.330 1.00 2.64 O ATOM 427 OE2 GLU A 28 -6.862 3.887 -3.794 1.00 2.14 O ATOM 0 H GLU A 28 -6.773 8.896 -0.034 1.00 1.14 H new ATOM 0 HA GLU A 28 -7.610 8.482 -2.143 1.00 1.17 H new ATOM 0 HB2 GLU A 28 -6.304 6.404 -1.124 1.00 1.15 H new ATOM 0 HB3 GLU A 28 -7.885 5.650 -1.203 1.00 1.15 H new ATOM 0 HG2 GLU A 28 -7.533 6.941 -3.714 1.00 1.53 H new ATOM 0 HG3 GLU A 28 -5.996 6.179 -3.356 1.00 1.53 H new ATOM 434 N GLU A 29 -10.077 6.764 -2.026 1.00 0.93 N ATOM 435 CA GLU A 29 -11.514 6.534 -2.003 1.00 1.16 C ATOM 436 C GLU A 29 -11.820 5.238 -1.242 1.00 0.99 C ATOM 437 O GLU A 29 -12.530 4.370 -1.747 1.00 1.19 O ATOM 438 CB GLU A 29 -12.048 6.492 -3.445 1.00 1.70 C ATOM 439 CG GLU A 29 -11.923 7.854 -4.141 1.00 2.51 C ATOM 440 CD GLU A 29 -12.606 7.848 -5.503 1.00 3.18 C ATOM 441 OE1 GLU A 29 -13.833 7.610 -5.516 1.00 3.30 O ATOM 442 OE2 GLU A 29 -11.897 8.100 -6.501 1.00 4.41 O ATOM 0 H GLU A 29 -9.567 6.042 -2.535 1.00 0.93 H new ATOM 0 HA GLU A 29 -12.017 7.349 -1.482 1.00 1.16 H new ATOM 0 HB2 GLU A 29 -11.499 5.742 -4.014 1.00 1.70 H new ATOM 0 HB3 GLU A 29 -13.093 6.183 -3.436 1.00 1.70 H new ATOM 0 HG2 GLU A 29 -12.367 8.627 -3.513 1.00 2.51 H new ATOM 0 HG3 GLU A 29 -10.870 8.107 -4.262 1.00 2.51 H new ATOM 449 N GLY A 30 -11.326 5.113 -0.002 1.00 0.95 N ATOM 450 CA GLY A 30 -11.615 3.929 0.809 1.00 0.86 C ATOM 451 C GLY A 30 -10.551 3.566 1.838 1.00 0.68 C ATOM 452 O GLY A 30 -10.804 2.746 2.725 1.00 0.85 O ATOM 0 H GLY A 30 -10.734 5.807 0.453 1.00 0.95 H new ATOM 0 HA2 GLY A 30 -12.560 4.087 1.329 1.00 0.86 H new ATOM 0 HA3 GLY A 30 -11.757 3.078 0.142 1.00 0.86 H new ATOM 456 N ILE A 31 -9.353 4.126 1.712 1.00 0.55 N ATOM 457 CA ILE A 31 -8.245 3.811 2.586 1.00 0.52 C ATOM 458 C ILE A 31 -8.372 4.679 3.848 1.00 0.52 C ATOM 459 O ILE A 31 -9.076 5.686 3.850 1.00 0.65 O ATOM 460 CB ILE A 31 -6.944 3.982 1.781 1.00 0.62 C ATOM 461 CG1 ILE A 31 -6.949 3.011 0.579 1.00 0.81 C ATOM 462 CG2 ILE A 31 -5.723 3.653 2.643 1.00 0.99 C ATOM 463 CD1 ILE A 31 -5.960 3.415 -0.512 1.00 2.15 C ATOM 0 H ILE A 31 -9.129 4.815 0.994 1.00 0.55 H new ATOM 0 HA ILE A 31 -8.241 2.780 2.939 1.00 0.52 H new ATOM 0 HB ILE A 31 -6.889 5.018 1.446 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -6.708 2.007 0.928 1.00 0.81 H new ATOM 0 HG13 ILE A 31 -7.953 2.969 0.156 1.00 0.81 H new ATOM 0 HG21 ILE A 31 -4.816 3.781 2.053 1.00 0.99 H new ATOM 0 HG22 ILE A 31 -5.694 4.322 3.503 1.00 0.99 H new ATOM 0 HG23 ILE A 31 -5.789 2.621 2.988 1.00 0.99 H new ATOM 0 HD11 ILE A 31 -6.008 2.697 -1.330 1.00 2.15 H new ATOM 0 HD12 ILE A 31 -6.215 4.407 -0.885 1.00 2.15 H new ATOM 0 HD13 ILE A 31 -4.951 3.430 -0.101 1.00 2.15 H new ATOM 475 N TYR A 32 -7.752 4.251 4.950 1.00 0.54 N ATOM 476 CA TYR A 32 -7.823 4.915 6.247 1.00 0.55 C ATOM 477 C TYR A 32 -6.445 5.160 6.869 1.00 0.44 C ATOM 478 O TYR A 32 -6.334 5.981 7.775 1.00 0.58 O ATOM 479 CB TYR A 32 -8.691 4.083 7.198 1.00 0.67 C ATOM 480 CG TYR A 32 -10.172 4.381 7.111 1.00 0.84 C ATOM 481 CD1 TYR A 32 -10.983 3.724 6.166 1.00 2.33 C ATOM 482 CD2 TYR A 32 -10.742 5.317 7.993 1.00 1.83 C ATOM 483 CE1 TYR A 32 -12.365 3.982 6.128 1.00 2.44 C ATOM 484 CE2 TYR A 32 -12.125 5.561 7.964 1.00 1.93 C ATOM 485 CZ TYR A 32 -12.935 4.897 7.030 1.00 1.27 C ATOM 486 OH TYR A 32 -14.276 5.136 7.017 1.00 1.53 O ATOM 0 H TYR A 32 -7.173 3.411 4.962 1.00 0.54 H new ATOM 0 HA TYR A 32 -8.270 5.896 6.086 1.00 0.55 H new ATOM 0 HB2 TYR A 32 -8.532 3.026 6.985 1.00 0.67 H new ATOM 0 HB3 TYR A 32 -8.357 4.256 8.221 1.00 0.67 H new ATOM 0 HD1 TYR A 32 -10.544 3.023 5.471 1.00 2.33 H new ATOM 0 HD2 TYR A 32 -10.115 5.849 8.694 1.00 1.83 H new ATOM 0 HE1 TYR A 32 -12.989 3.477 5.405 1.00 2.44 H new ATOM 0 HE2 TYR A 32 -12.565 6.260 8.660 1.00 1.93 H new ATOM 0 HH TYR A 32 -14.498 5.795 7.708 1.00 1.53 H new ATOM 496 N SER A 33 -5.404 4.437 6.449 1.00 0.41 N ATOM 497 CA SER A 33 -4.044 4.683 6.904 1.00 0.36 C ATOM 498 C SER A 33 -3.097 4.137 5.847 1.00 0.36 C ATOM 499 O SER A 33 -3.462 3.187 5.155 1.00 0.40 O ATOM 500 CB SER A 33 -3.790 4.017 8.258 1.00 0.45 C ATOM 501 OG SER A 33 -2.543 4.452 8.762 1.00 0.77 O ATOM 0 H SER A 33 -5.486 3.667 5.785 1.00 0.41 H new ATOM 0 HA SER A 33 -3.882 5.752 7.040 1.00 0.36 H new ATOM 0 HB2 SER A 33 -4.587 4.271 8.957 1.00 0.45 H new ATOM 0 HB3 SER A 33 -3.794 2.932 8.150 1.00 0.45 H new ATOM 0 HG SER A 33 -2.376 4.030 9.630 1.00 0.77 H new ATOM 507 N ILE A 34 -1.916 4.744 5.731 1.00 0.42 N ATOM 508 CA ILE A 34 -0.920 4.449 4.711 1.00 0.50 C ATOM 509 C ILE A 34 -0.001 3.304 5.120 1.00 0.42 C ATOM 510 O ILE A 34 0.122 2.968 6.295 1.00 0.50 O ATOM 511 CB ILE A 34 -0.087 5.696 4.364 1.00 0.77 C ATOM 512 CG1 ILE A 34 1.003 6.086 5.378 1.00 1.98 C ATOM 513 CG2 ILE A 34 -0.987 6.887 4.039 1.00 0.86 C ATOM 514 CD1 ILE A 34 0.460 6.361 6.775 1.00 3.20 C ATOM 0 H ILE A 34 -1.619 5.481 6.370 1.00 0.42 H new ATOM 0 HA ILE A 34 -1.469 4.137 3.823 1.00 0.50 H new ATOM 0 HB ILE A 34 0.471 5.401 3.475 1.00 0.77 H new ATOM 0 HG12 ILE A 34 1.740 5.285 5.434 1.00 1.98 H new ATOM 0 HG13 ILE A 34 1.523 6.973 5.017 1.00 1.98 H new ATOM 0 HG21 ILE A 34 -0.371 7.753 3.798 1.00 0.86 H new ATOM 0 HG22 ILE A 34 -1.620 6.643 3.186 1.00 0.86 H new ATOM 0 HG23 ILE A 34 -1.613 7.116 4.901 1.00 0.86 H new ATOM 0 HD11 ILE A 34 1.282 6.630 7.438 1.00 3.20 H new ATOM 0 HD12 ILE A 34 -0.255 7.182 6.732 1.00 3.20 H new ATOM 0 HD13 ILE A 34 -0.035 5.468 7.155 1.00 3.20 H new ATOM 526 N LEU A 35 0.677 2.733 4.125 1.00 0.46 N ATOM 527 CA LEU A 35 1.671 1.712 4.272 1.00 0.51 C ATOM 528 C LEU A 35 3.059 2.301 4.514 1.00 0.61 C ATOM 529 O LEU A 35 3.550 3.069 3.698 1.00 0.90 O ATOM 530 CB LEU A 35 1.643 0.798 3.043 1.00 0.62 C ATOM 531 CG LEU A 35 1.923 1.413 1.654 1.00 0.78 C ATOM 532 CD1 LEU A 35 3.394 1.284 1.220 1.00 1.32 C ATOM 533 CD2 LEU A 35 1.074 0.681 0.604 1.00 2.01 C ATOM 0 H LEU A 35 0.528 2.995 3.151 1.00 0.46 H new ATOM 0 HA LEU A 35 1.438 1.118 5.156 1.00 0.51 H new ATOM 0 HB2 LEU A 35 2.371 0.004 3.205 1.00 0.62 H new ATOM 0 HB3 LEU A 35 0.661 0.327 3.004 1.00 0.62 H new ATOM 0 HG LEU A 35 1.678 2.473 1.727 1.00 0.78 H new ATOM 0 HD11 LEU A 35 3.524 1.735 0.236 1.00 1.32 H new ATOM 0 HD12 LEU A 35 4.032 1.795 1.941 1.00 1.32 H new ATOM 0 HD13 LEU A 35 3.669 0.230 1.175 1.00 1.32 H new ATOM 0 HD21 LEU A 35 1.265 1.108 -0.380 1.00 2.01 H new ATOM 0 HD22 LEU A 35 1.336 -0.377 0.597 1.00 2.01 H new ATOM 0 HD23 LEU A 35 0.018 0.791 0.849 1.00 2.01 H new ATOM 545 N VAL A 36 3.699 1.926 5.624 1.00 0.46 N ATOM 546 CA VAL A 36 5.013 2.412 5.995 1.00 0.51 C ATOM 547 C VAL A 36 5.681 1.418 6.952 1.00 0.41 C ATOM 548 O VAL A 36 5.551 1.529 8.168 1.00 0.54 O ATOM 549 CB VAL A 36 4.887 3.842 6.558 1.00 0.70 C ATOM 550 CG1 VAL A 36 3.791 3.988 7.627 1.00 0.80 C ATOM 551 CG2 VAL A 36 6.235 4.361 7.072 1.00 0.76 C ATOM 0 H VAL A 36 3.306 1.266 6.295 1.00 0.46 H new ATOM 0 HA VAL A 36 5.668 2.479 5.126 1.00 0.51 H new ATOM 0 HB VAL A 36 4.574 4.464 5.720 1.00 0.70 H new ATOM 0 HG11 VAL A 36 3.760 5.020 7.978 1.00 0.80 H new ATOM 0 HG12 VAL A 36 2.826 3.721 7.197 1.00 0.80 H new ATOM 0 HG13 VAL A 36 4.010 3.327 8.465 1.00 0.80 H new ATOM 0 HG21 VAL A 36 6.111 5.371 7.462 1.00 0.76 H new ATOM 0 HG22 VAL A 36 6.598 3.708 7.865 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.956 4.374 6.254 1.00 0.76 H new ATOM 561 N ALA A 37 6.428 0.446 6.423 1.00 0.35 N ATOM 562 CA ALA A 37 7.364 -0.331 7.226 1.00 0.36 C ATOM 563 C ALA A 37 8.637 -0.591 6.418 1.00 0.43 C ATOM 564 O ALA A 37 9.192 -1.692 6.434 1.00 0.48 O ATOM 565 CB ALA A 37 6.686 -1.589 7.786 1.00 0.36 C ATOM 0 H ALA A 37 6.400 0.181 5.439 1.00 0.35 H new ATOM 0 HA ALA A 37 7.674 0.232 8.106 1.00 0.36 H new ATOM 0 HB1 ALA A 37 7.403 -2.154 8.382 1.00 0.36 H new ATOM 0 HB2 ALA A 37 5.842 -1.299 8.412 1.00 0.36 H new ATOM 0 HB3 ALA A 37 6.331 -2.208 6.962 1.00 0.36 H new ATOM 571 N LEU A 38 9.131 0.466 5.759 1.00 0.52 N ATOM 572 CA LEU A 38 10.411 0.505 5.050 1.00 0.63 C ATOM 573 C LEU A 38 11.554 0.127 6.001 1.00 0.64 C ATOM 574 O LEU A 38 12.531 -0.484 5.576 1.00 0.71 O ATOM 575 CB LEU A 38 10.588 1.898 4.411 1.00 0.78 C ATOM 576 CG LEU A 38 11.700 2.014 3.344 1.00 0.86 C ATOM 577 CD1 LEU A 38 11.288 3.041 2.279 1.00 1.10 C ATOM 578 CD2 LEU A 38 13.044 2.466 3.930 1.00 1.28 C ATOM 0 H LEU A 38 8.627 1.351 5.705 1.00 0.52 H new ATOM 0 HA LEU A 38 10.428 -0.230 4.245 1.00 0.63 H new ATOM 0 HB2 LEU A 38 9.642 2.190 3.955 1.00 0.78 H new ATOM 0 HB3 LEU A 38 10.795 2.617 5.204 1.00 0.78 H new ATOM 0 HG LEU A 38 11.825 1.018 2.919 1.00 0.86 H new ATOM 0 HD11 LEU A 38 12.074 3.121 1.528 1.00 1.10 H new ATOM 0 HD12 LEU A 38 10.362 2.720 1.803 1.00 1.10 H new ATOM 0 HD13 LEU A 38 11.136 4.012 2.750 1.00 1.10 H new ATOM 0 HD21 LEU A 38 13.785 2.529 3.133 1.00 1.28 H new ATOM 0 HD22 LEU A 38 12.927 3.445 4.396 1.00 1.28 H new ATOM 0 HD23 LEU A 38 13.376 1.746 4.678 1.00 1.28 H new ATOM 590 N MET A 39 11.389 0.435 7.296 1.00 0.63 N ATOM 591 CA MET A 39 12.282 0.053 8.389 1.00 0.69 C ATOM 592 C MET A 39 12.729 -1.410 8.348 1.00 0.70 C ATOM 593 O MET A 39 13.817 -1.726 8.824 1.00 0.86 O ATOM 594 CB MET A 39 11.663 0.451 9.741 1.00 0.79 C ATOM 595 CG MET A 39 10.300 -0.173 10.088 1.00 1.78 C ATOM 596 SD MET A 39 10.308 -1.841 10.800 1.00 3.20 S ATOM 597 CE MET A 39 8.582 -1.963 11.330 1.00 4.40 C ATOM 0 H MET A 39 10.591 0.982 7.620 1.00 0.63 H new ATOM 0 HA MET A 39 13.207 0.613 8.255 1.00 0.69 H new ATOM 0 HB2 MET A 39 12.368 0.187 10.529 1.00 0.79 H new ATOM 0 HB3 MET A 39 11.555 1.536 9.760 1.00 0.79 H new ATOM 0 HG2 MET A 39 9.793 0.491 10.789 1.00 1.78 H new ATOM 0 HG3 MET A 39 9.698 -0.197 9.179 1.00 1.78 H new ATOM 0 HE1 MET A 39 8.319 -3.011 11.476 1.00 4.40 H new ATOM 0 HE2 MET A 39 8.450 -1.422 12.267 1.00 4.40 H new ATOM 0 HE3 MET A 39 7.936 -1.530 10.567 1.00 4.40 H new ATOM 607 N ALA A 40 11.906 -2.295 7.782 1.00 0.62 N ATOM 608 CA ALA A 40 12.292 -3.672 7.501 1.00 0.67 C ATOM 609 C ALA A 40 12.046 -4.005 6.030 1.00 0.67 C ATOM 610 O ALA A 40 12.918 -4.556 5.365 1.00 0.80 O ATOM 611 CB ALA A 40 11.528 -4.599 8.439 1.00 0.73 C ATOM 0 H ALA A 40 10.950 -2.072 7.506 1.00 0.62 H new ATOM 0 HA ALA A 40 13.359 -3.809 7.679 1.00 0.67 H new ATOM 0 HB1 ALA A 40 11.809 -5.633 8.238 1.00 0.73 H new ATOM 0 HB2 ALA A 40 11.771 -4.352 9.472 1.00 0.73 H new ATOM 0 HB3 ALA A 40 10.457 -4.477 8.279 1.00 0.73 H new ATOM 617 N GLY A 41 10.855 -3.671 5.526 1.00 0.68 N ATOM 618 CA GLY A 41 10.510 -3.759 4.118 1.00 0.64 C ATOM 619 C GLY A 41 9.093 -4.292 3.935 1.00 0.58 C ATOM 620 O GLY A 41 8.877 -5.244 3.190 1.00 0.69 O ATOM 0 H GLY A 41 10.091 -3.324 6.106 1.00 0.68 H new ATOM 0 HA2 GLY A 41 10.595 -2.775 3.657 1.00 0.64 H new ATOM 0 HA3 GLY A 41 11.217 -4.412 3.607 1.00 0.64 H new ATOM 624 N LYS A 42 8.129 -3.698 4.644 1.00 0.49 N ATOM 625 CA LYS A 42 6.719 -4.056 4.566 1.00 0.45 C ATOM 626 C LYS A 42 5.863 -2.786 4.526 1.00 0.38 C ATOM 627 O LYS A 42 6.398 -1.674 4.515 1.00 0.37 O ATOM 628 CB LYS A 42 6.312 -5.010 5.699 1.00 0.59 C ATOM 629 CG LYS A 42 7.085 -6.344 5.695 1.00 0.55 C ATOM 630 CD LYS A 42 8.314 -6.410 6.611 1.00 1.60 C ATOM 631 CE LYS A 42 7.937 -5.983 8.035 1.00 1.90 C ATOM 632 NZ LYS A 42 8.781 -6.619 9.068 1.00 2.96 N ATOM 0 H LYS A 42 8.316 -2.940 5.300 1.00 0.49 H new ATOM 0 HA LYS A 42 6.545 -4.605 3.640 1.00 0.45 H new ATOM 0 HB2 LYS A 42 6.470 -4.512 6.656 1.00 0.59 H new ATOM 0 HB3 LYS A 42 5.245 -5.219 5.621 1.00 0.59 H new ATOM 0 HG2 LYS A 42 6.398 -7.140 5.983 1.00 0.55 H new ATOM 0 HG3 LYS A 42 7.405 -6.553 4.674 1.00 0.55 H new ATOM 0 HD2 LYS A 42 8.715 -7.424 6.622 1.00 1.60 H new ATOM 0 HD3 LYS A 42 9.100 -5.761 6.225 1.00 1.60 H new ATOM 0 HE2 LYS A 42 8.023 -4.900 8.119 1.00 1.90 H new ATOM 0 HE3 LYS A 42 6.893 -6.235 8.220 1.00 1.90 H new ATOM 0 HZ1 LYS A 42 8.701 -6.086 9.958 1.00 2.96 H new ATOM 0 HZ2 LYS A 42 8.464 -7.598 9.221 1.00 2.96 H new ATOM 0 HZ3 LYS A 42 9.772 -6.621 8.754 1.00 2.96 H new ATOM 646 N ALA A 43 4.542 -2.957 4.442 1.00 0.38 N ATOM 647 CA ALA A 43 3.600 -1.931 4.052 1.00 0.35 C ATOM 648 C ALA A 43 2.244 -2.177 4.748 1.00 0.44 C ATOM 649 O ALA A 43 1.594 -3.178 4.466 1.00 0.68 O ATOM 650 CB ALA A 43 3.517 -2.012 2.516 1.00 0.41 C ATOM 0 H ALA A 43 4.093 -3.848 4.653 1.00 0.38 H new ATOM 0 HA ALA A 43 3.906 -0.929 4.353 1.00 0.35 H new ATOM 0 HB1 ALA A 43 2.818 -1.260 2.149 1.00 0.41 H new ATOM 0 HB2 ALA A 43 4.503 -1.831 2.088 1.00 0.41 H new ATOM 0 HB3 ALA A 43 3.171 -3.003 2.222 1.00 0.41 H new ATOM 656 N GLU A 44 1.807 -1.286 5.655 1.00 0.36 N ATOM 657 CA GLU A 44 0.659 -1.521 6.540 1.00 0.41 C ATOM 658 C GLU A 44 -0.517 -0.579 6.268 1.00 0.42 C ATOM 659 O GLU A 44 -0.876 0.234 7.119 1.00 0.64 O ATOM 660 CB GLU A 44 1.072 -1.358 8.004 1.00 0.61 C ATOM 661 CG GLU A 44 2.269 -2.224 8.385 1.00 1.92 C ATOM 662 CD GLU A 44 2.360 -2.439 9.895 1.00 1.87 C ATOM 663 OE1 GLU A 44 1.321 -2.250 10.576 1.00 1.69 O ATOM 664 OE2 GLU A 44 3.461 -2.811 10.349 1.00 3.32 O ATOM 0 H GLU A 44 2.246 -0.376 5.793 1.00 0.36 H new ATOM 0 HA GLU A 44 0.331 -2.540 6.336 1.00 0.41 H new ATOM 0 HB2 GLU A 44 1.312 -0.312 8.194 1.00 0.61 H new ATOM 0 HB3 GLU A 44 0.228 -1.613 8.645 1.00 0.61 H new ATOM 0 HG2 GLU A 44 2.192 -3.189 7.885 1.00 1.92 H new ATOM 0 HG3 GLU A 44 3.185 -1.753 8.030 1.00 1.92 H new ATOM 671 N VAL A 45 -1.156 -0.708 5.113 1.00 0.46 N ATOM 672 CA VAL A 45 -2.267 0.166 4.758 1.00 0.46 C ATOM 673 C VAL A 45 -3.553 -0.347 5.422 1.00 0.49 C ATOM 674 O VAL A 45 -3.784 -1.552 5.473 1.00 0.82 O ATOM 675 CB VAL A 45 -2.359 0.316 3.224 1.00 0.55 C ATOM 676 CG1 VAL A 45 -2.204 -0.978 2.425 1.00 1.58 C ATOM 677 CG2 VAL A 45 -3.674 0.959 2.782 1.00 1.65 C ATOM 0 H VAL A 45 -0.925 -1.407 4.407 1.00 0.46 H new ATOM 0 HA VAL A 45 -2.105 1.174 5.140 1.00 0.46 H new ATOM 0 HB VAL A 45 -1.505 0.955 3.002 1.00 0.55 H new ATOM 0 HG11 VAL A 45 -2.285 -0.760 1.360 1.00 1.58 H new ATOM 0 HG12 VAL A 45 -1.229 -1.419 2.632 1.00 1.58 H new ATOM 0 HG13 VAL A 45 -2.988 -1.679 2.712 1.00 1.58 H new ATOM 0 HG21 VAL A 45 -3.691 1.043 1.695 1.00 1.65 H new ATOM 0 HG22 VAL A 45 -4.510 0.342 3.111 1.00 1.65 H new ATOM 0 HG23 VAL A 45 -3.760 1.952 3.224 1.00 1.65 H new ATOM 687 N ARG A 46 -4.398 0.558 5.934 1.00 0.33 N ATOM 688 CA ARG A 46 -5.721 0.205 6.453 1.00 0.35 C ATOM 689 C ARG A 46 -6.759 0.513 5.378 1.00 0.38 C ATOM 690 O ARG A 46 -6.789 1.638 4.891 1.00 0.43 O ATOM 691 CB ARG A 46 -6.027 0.976 7.743 1.00 0.48 C ATOM 692 CG ARG A 46 -7.411 0.607 8.305 1.00 0.69 C ATOM 693 CD ARG A 46 -7.747 1.441 9.545 1.00 1.05 C ATOM 694 NE ARG A 46 -7.064 0.922 10.739 1.00 1.61 N ATOM 695 CZ ARG A 46 -6.876 1.600 11.884 1.00 2.23 C ATOM 696 NH1 ARG A 46 -7.280 2.872 11.987 1.00 1.99 N ATOM 697 NH2 ARG A 46 -6.290 0.998 12.925 1.00 3.93 N ATOM 0 H ARG A 46 -4.182 1.553 5.999 1.00 0.33 H new ATOM 0 HA ARG A 46 -5.748 -0.857 6.698 1.00 0.35 H new ATOM 0 HB2 ARG A 46 -5.261 0.760 8.488 1.00 0.48 H new ATOM 0 HB3 ARG A 46 -5.987 2.047 7.546 1.00 0.48 H new ATOM 0 HG2 ARG A 46 -8.171 0.766 7.540 1.00 0.69 H new ATOM 0 HG3 ARG A 46 -7.432 -0.453 8.560 1.00 0.69 H new ATOM 0 HD2 ARG A 46 -7.455 2.478 9.378 1.00 1.05 H new ATOM 0 HD3 ARG A 46 -8.825 1.435 9.709 1.00 1.05 H new ATOM 0 HE ARG A 46 -6.703 -0.031 10.695 1.00 1.61 H new ATOM 0 HH11 ARG A 46 -7.732 3.329 11.195 1.00 1.99 H new ATOM 0 HH12 ARG A 46 -7.136 3.384 12.857 1.00 1.99 H new ATOM 0 HH21 ARG A 46 -5.987 0.027 12.848 1.00 3.93 H new ATOM 0 HH22 ARG A 46 -6.146 1.510 13.795 1.00 3.93 H new ATOM 711 N TYR A 47 -7.614 -0.453 5.036 1.00 0.50 N ATOM 712 CA TYR A 47 -8.576 -0.377 3.942 1.00 0.55 C ATOM 713 C TYR A 47 -9.962 -0.822 4.421 1.00 0.51 C ATOM 714 O TYR A 47 -10.150 -1.066 5.615 1.00 0.53 O ATOM 715 CB TYR A 47 -8.063 -1.233 2.771 1.00 0.60 C ATOM 716 CG TYR A 47 -8.280 -2.730 2.919 1.00 0.54 C ATOM 717 CD1 TYR A 47 -7.621 -3.448 3.934 1.00 1.70 C ATOM 718 CD2 TYR A 47 -9.219 -3.390 2.104 1.00 1.76 C ATOM 719 CE1 TYR A 47 -7.913 -4.803 4.149 1.00 1.82 C ATOM 720 CE2 TYR A 47 -9.579 -4.717 2.388 1.00 1.73 C ATOM 721 CZ TYR A 47 -8.966 -5.408 3.445 1.00 0.84 C ATOM 722 OH TYR A 47 -9.475 -6.610 3.834 1.00 1.35 O ATOM 0 H TYR A 47 -7.654 -1.342 5.534 1.00 0.50 H new ATOM 0 HA TYR A 47 -8.677 0.652 3.597 1.00 0.55 H new ATOM 0 HB2 TYR A 47 -8.553 -0.900 1.856 1.00 0.60 H new ATOM 0 HB3 TYR A 47 -6.996 -1.047 2.646 1.00 0.60 H new ATOM 0 HD1 TYR A 47 -6.886 -2.953 4.551 1.00 1.70 H new ATOM 0 HD2 TYR A 47 -9.661 -2.877 1.263 1.00 1.76 H new ATOM 0 HE1 TYR A 47 -7.330 -5.378 4.853 1.00 1.82 H new ATOM 0 HE2 TYR A 47 -10.332 -5.209 1.790 1.00 1.73 H new ATOM 0 HH TYR A 47 -8.858 -7.038 4.464 1.00 1.35 H new ATOM 732 N ASN A 48 -10.923 -0.954 3.494 1.00 0.54 N ATOM 733 CA ASN A 48 -12.223 -1.558 3.772 1.00 0.63 C ATOM 734 C ASN A 48 -12.729 -2.388 2.578 1.00 0.64 C ATOM 735 O ASN A 48 -12.827 -1.861 1.469 1.00 0.79 O ATOM 736 CB ASN A 48 -13.241 -0.485 4.186 1.00 0.76 C ATOM 737 CG ASN A 48 -13.827 0.325 3.029 1.00 1.81 C ATOM 738 OD1 ASN A 48 -14.870 -0.030 2.487 1.00 2.81 O ATOM 739 ND2 ASN A 48 -13.204 1.434 2.652 1.00 2.84 N ATOM 0 H ASN A 48 -10.814 -0.642 2.529 1.00 0.54 H new ATOM 0 HA ASN A 48 -12.102 -2.246 4.608 1.00 0.63 H new ATOM 0 HB2 ASN A 48 -14.058 -0.967 4.723 1.00 0.76 H new ATOM 0 HB3 ASN A 48 -12.761 0.201 4.884 1.00 0.76 H new ATOM 0 HD21 ASN A 48 -13.591 2.006 1.901 1.00 2.84 H new ATOM 0 HD22 ASN A 48 -12.338 1.715 3.113 1.00 2.84 H new ATOM 746 N PRO A 49 -13.061 -3.676 2.752 1.00 0.70 N ATOM 747 CA PRO A 49 -13.594 -4.486 1.670 1.00 0.79 C ATOM 748 C PRO A 49 -15.078 -4.180 1.449 1.00 0.86 C ATOM 749 O PRO A 49 -15.941 -5.001 1.745 1.00 1.12 O ATOM 750 CB PRO A 49 -13.356 -5.933 2.096 1.00 1.05 C ATOM 751 CG PRO A 49 -13.449 -5.867 3.620 1.00 1.14 C ATOM 752 CD PRO A 49 -12.887 -4.482 3.954 1.00 0.92 C ATOM 0 HA PRO A 49 -13.110 -4.280 0.716 1.00 0.79 H new ATOM 0 HB2 PRO A 49 -14.104 -6.605 1.675 1.00 1.05 H new ATOM 0 HB3 PRO A 49 -12.382 -6.295 1.767 1.00 1.05 H new ATOM 0 HG2 PRO A 49 -14.477 -5.976 3.964 1.00 1.14 H new ATOM 0 HG3 PRO A 49 -12.869 -6.660 4.092 1.00 1.14 H new ATOM 0 HD2 PRO A 49 -13.415 -4.040 4.799 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -11.835 -4.545 4.233 1.00 0.92 H new ATOM 760 N ALA A 50 -15.376 -3.004 0.891 1.00 0.76 N ATOM 761 CA ALA A 50 -16.707 -2.704 0.380 1.00 1.01 C ATOM 762 C ALA A 50 -16.575 -1.980 -0.955 1.00 1.04 C ATOM 763 O ALA A 50 -16.861 -2.554 -2.002 1.00 1.37 O ATOM 764 CB ALA A 50 -17.522 -1.915 1.413 1.00 1.32 C ATOM 0 H ALA A 50 -14.706 -2.243 0.783 1.00 0.76 H new ATOM 0 HA ALA A 50 -17.260 -3.627 0.205 1.00 1.01 H new ATOM 0 HB1 ALA A 50 -18.512 -1.702 1.010 1.00 1.32 H new ATOM 0 HB2 ALA A 50 -17.620 -2.504 2.325 1.00 1.32 H new ATOM 0 HB3 ALA A 50 -17.013 -0.978 1.639 1.00 1.32 H new ATOM 770 N VAL A 51 -16.124 -0.726 -0.919 1.00 0.96 N ATOM 771 CA VAL A 51 -16.030 0.110 -2.109 1.00 1.08 C ATOM 772 C VAL A 51 -14.674 -0.081 -2.784 1.00 0.92 C ATOM 773 O VAL A 51 -14.603 -0.244 -3.999 1.00 1.22 O ATOM 774 CB VAL A 51 -16.274 1.576 -1.712 1.00 1.26 C ATOM 775 CG1 VAL A 51 -16.060 2.526 -2.897 1.00 1.44 C ATOM 776 CG2 VAL A 51 -17.712 1.746 -1.200 1.00 1.64 C ATOM 0 H VAL A 51 -15.815 -0.264 -0.064 1.00 0.96 H new ATOM 0 HA VAL A 51 -16.791 -0.181 -2.833 1.00 1.08 H new ATOM 0 HB VAL A 51 -15.558 1.826 -0.929 1.00 1.26 H new ATOM 0 HG11 VAL A 51 -16.241 3.552 -2.578 1.00 1.44 H new ATOM 0 HG12 VAL A 51 -15.035 2.434 -3.257 1.00 1.44 H new ATOM 0 HG13 VAL A 51 -16.751 2.268 -3.700 1.00 1.44 H new ATOM 0 HG21 VAL A 51 -17.878 2.786 -0.921 1.00 1.64 H new ATOM 0 HG22 VAL A 51 -18.414 1.465 -1.985 1.00 1.64 H new ATOM 0 HG23 VAL A 51 -17.866 1.108 -0.330 1.00 1.64 H new ATOM 786 N ILE A 52 -13.594 -0.022 -2.001 1.00 0.62 N ATOM 787 CA ILE A 52 -12.253 0.104 -2.560 1.00 0.64 C ATOM 788 C ILE A 52 -11.751 -1.247 -3.055 1.00 0.71 C ATOM 789 O ILE A 52 -11.242 -1.325 -4.164 1.00 1.16 O ATOM 790 CB ILE A 52 -11.298 0.839 -1.601 1.00 0.68 C ATOM 791 CG1 ILE A 52 -9.832 0.676 -2.030 1.00 0.83 C ATOM 792 CG2 ILE A 52 -11.502 0.482 -0.121 1.00 0.88 C ATOM 793 CD1 ILE A 52 -9.107 -0.397 -1.227 1.00 1.85 C ATOM 0 H ILE A 52 -13.625 -0.060 -0.982 1.00 0.62 H new ATOM 0 HA ILE A 52 -12.292 0.745 -3.441 1.00 0.64 H new ATOM 0 HB ILE A 52 -11.559 1.894 -1.681 1.00 0.68 H new ATOM 0 HG12 ILE A 52 -9.792 0.422 -3.089 1.00 0.83 H new ATOM 0 HG13 ILE A 52 -9.314 1.627 -1.911 1.00 0.83 H new ATOM 0 HG21 ILE A 52 -10.792 1.040 0.489 1.00 0.88 H new ATOM 0 HG22 ILE A 52 -12.518 0.738 0.178 1.00 0.88 H new ATOM 0 HG23 ILE A 52 -11.341 -0.587 0.021 1.00 0.88 H new ATOM 0 HD11 ILE A 52 -8.075 -0.472 -1.569 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -9.120 -0.132 -0.170 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -9.607 -1.356 -1.367 1.00 1.85 H new ATOM 805 N GLN A 53 -11.936 -2.296 -2.248 1.00 0.50 N ATOM 806 CA GLN A 53 -11.653 -3.697 -2.555 1.00 0.62 C ATOM 807 C GLN A 53 -10.161 -4.072 -2.379 1.00 0.59 C ATOM 808 O GLN A 53 -9.273 -3.394 -2.897 1.00 0.60 O ATOM 809 CB GLN A 53 -12.206 -4.113 -3.940 1.00 0.71 C ATOM 810 CG GLN A 53 -13.436 -5.037 -3.907 1.00 1.18 C ATOM 811 CD GLN A 53 -13.156 -6.354 -4.623 1.00 1.73 C ATOM 812 OE1 GLN A 53 -12.925 -6.378 -5.827 1.00 2.79 O ATOM 813 NE2 GLN A 53 -13.151 -7.466 -3.894 1.00 2.05 N ATOM 0 H GLN A 53 -12.310 -2.180 -1.306 1.00 0.50 H new ATOM 0 HA GLN A 53 -12.192 -4.281 -1.809 1.00 0.62 H new ATOM 0 HB2 GLN A 53 -12.464 -3.211 -4.495 1.00 0.71 H new ATOM 0 HB3 GLN A 53 -11.412 -4.612 -4.495 1.00 0.71 H new ATOM 0 HG2 GLN A 53 -13.718 -5.235 -2.873 1.00 1.18 H new ATOM 0 HG3 GLN A 53 -14.282 -4.537 -4.378 1.00 1.18 H new ATOM 0 HE21 GLN A 53 -13.346 -7.421 -2.894 1.00 2.05 H new ATOM 0 HE22 GLN A 53 -12.952 -8.364 -4.335 1.00 2.05 H new ATOM 822 N PRO A 54 -9.857 -5.180 -1.673 1.00 0.64 N ATOM 823 CA PRO A 54 -8.493 -5.622 -1.399 1.00 0.73 C ATOM 824 C PRO A 54 -7.620 -5.921 -2.632 1.00 0.79 C ATOM 825 O PRO A 54 -6.430 -5.620 -2.582 1.00 0.92 O ATOM 826 CB PRO A 54 -8.597 -6.816 -0.446 1.00 0.90 C ATOM 827 CG PRO A 54 -10.041 -7.299 -0.572 1.00 0.82 C ATOM 828 CD PRO A 54 -10.818 -6.070 -1.040 1.00 0.71 C ATOM 0 HA PRO A 54 -7.953 -4.790 -0.946 1.00 0.73 H new ATOM 0 HB2 PRO A 54 -7.893 -7.602 -0.720 1.00 0.90 H new ATOM 0 HB3 PRO A 54 -8.367 -6.524 0.579 1.00 0.90 H new ATOM 0 HG2 PRO A 54 -10.125 -8.117 -1.287 1.00 0.82 H new ATOM 0 HG3 PRO A 54 -10.420 -7.669 0.381 1.00 0.82 H new ATOM 0 HD2 PRO A 54 -11.603 -6.353 -1.741 1.00 0.71 H new ATOM 0 HD3 PRO A 54 -11.305 -5.577 -0.199 1.00 0.71 H new ATOM 836 N PRO A 55 -8.111 -6.490 -3.748 1.00 0.78 N ATOM 837 CA PRO A 55 -7.271 -6.574 -4.936 1.00 0.88 C ATOM 838 C PRO A 55 -6.963 -5.180 -5.493 1.00 0.87 C ATOM 839 O PRO A 55 -5.916 -4.984 -6.111 1.00 1.04 O ATOM 840 CB PRO A 55 -8.038 -7.445 -5.934 1.00 0.93 C ATOM 841 CG PRO A 55 -9.496 -7.261 -5.521 1.00 0.85 C ATOM 842 CD PRO A 55 -9.403 -7.110 -4.004 1.00 0.76 C ATOM 0 HA PRO A 55 -6.299 -7.015 -4.714 1.00 0.88 H new ATOM 0 HB2 PRO A 55 -7.868 -7.123 -6.961 1.00 0.93 H new ATOM 0 HB3 PRO A 55 -7.732 -8.489 -5.873 1.00 0.93 H new ATOM 0 HG2 PRO A 55 -9.941 -6.382 -5.988 1.00 0.85 H new ATOM 0 HG3 PRO A 55 -10.108 -8.117 -5.805 1.00 0.85 H new ATOM 0 HD2 PRO A 55 -10.216 -6.493 -3.621 1.00 0.76 H new ATOM 0 HD3 PRO A 55 -9.478 -8.078 -3.509 1.00 0.76 H new ATOM 850 N MET A 56 -7.855 -4.204 -5.287 1.00 0.75 N ATOM 851 CA MET A 56 -7.739 -2.919 -5.935 1.00 0.66 C ATOM 852 C MET A 56 -6.562 -2.162 -5.333 1.00 0.60 C ATOM 853 O MET A 56 -5.732 -1.675 -6.086 1.00 0.59 O ATOM 854 CB MET A 56 -9.061 -2.159 -5.816 1.00 0.77 C ATOM 855 CG MET A 56 -9.658 -1.645 -7.131 1.00 1.22 C ATOM 856 SD MET A 56 -8.987 -0.115 -7.843 1.00 2.55 S ATOM 857 CE MET A 56 -7.605 -0.725 -8.831 1.00 4.23 C ATOM 0 H MET A 56 -8.664 -4.293 -4.672 1.00 0.75 H new ATOM 0 HA MET A 56 -7.540 -3.039 -7.000 1.00 0.66 H new ATOM 0 HB2 MET A 56 -9.792 -2.812 -5.338 1.00 0.77 H new ATOM 0 HB3 MET A 56 -8.910 -1.309 -5.151 1.00 0.77 H new ATOM 0 HG2 MET A 56 -9.549 -2.433 -7.876 1.00 1.22 H new ATOM 0 HG3 MET A 56 -10.727 -1.498 -6.976 1.00 1.22 H new ATOM 0 HE1 MET A 56 -7.604 -0.228 -9.801 1.00 4.23 H new ATOM 0 HE2 MET A 56 -6.668 -0.515 -8.315 1.00 4.23 H new ATOM 0 HE3 MET A 56 -7.707 -1.801 -8.975 1.00 4.23 H new ATOM 867 N ILE A 57 -6.440 -2.091 -3.998 1.00 0.65 N ATOM 868 CA ILE A 57 -5.262 -1.454 -3.391 1.00 0.69 C ATOM 869 C ILE A 57 -3.965 -2.024 -3.976 1.00 0.62 C ATOM 870 O ILE A 57 -3.105 -1.264 -4.419 1.00 0.67 O ATOM 871 CB ILE A 57 -5.234 -1.503 -1.845 1.00 0.97 C ATOM 872 CG1 ILE A 57 -6.075 -2.616 -1.213 1.00 1.27 C ATOM 873 CG2 ILE A 57 -5.528 -0.106 -1.283 1.00 1.90 C ATOM 874 CD1 ILE A 57 -5.661 -2.913 0.231 1.00 1.62 C ATOM 0 H ILE A 57 -7.123 -2.456 -3.334 1.00 0.65 H new ATOM 0 HA ILE A 57 -5.342 -0.398 -3.649 1.00 0.69 H new ATOM 0 HB ILE A 57 -4.224 -1.790 -1.552 1.00 0.97 H new ATOM 0 HG12 ILE A 57 -7.127 -2.330 -1.235 1.00 1.27 H new ATOM 0 HG13 ILE A 57 -5.979 -3.523 -1.809 1.00 1.27 H new ATOM 0 HG21 ILE A 57 -5.508 -0.140 -0.194 1.00 1.90 H new ATOM 0 HG22 ILE A 57 -4.773 0.595 -1.638 1.00 1.90 H new ATOM 0 HG23 ILE A 57 -6.512 0.221 -1.618 1.00 1.90 H new ATOM 0 HD11 ILE A 57 -6.288 -3.709 0.633 1.00 1.62 H new ATOM 0 HD12 ILE A 57 -4.617 -3.227 0.253 1.00 1.62 H new ATOM 0 HD13 ILE A 57 -5.783 -2.015 0.836 1.00 1.62 H new ATOM 886 N ALA A 58 -3.827 -3.356 -3.988 1.00 0.58 N ATOM 887 CA ALA A 58 -2.684 -4.009 -4.607 1.00 0.62 C ATOM 888 C ALA A 58 -2.455 -3.466 -6.018 1.00 0.62 C ATOM 889 O ALA A 58 -1.420 -2.853 -6.269 1.00 0.61 O ATOM 890 CB ALA A 58 -2.871 -5.527 -4.605 1.00 0.72 C ATOM 0 H ALA A 58 -4.501 -3.999 -3.572 1.00 0.58 H new ATOM 0 HA ALA A 58 -1.791 -3.787 -4.023 1.00 0.62 H new ATOM 0 HB1 ALA A 58 -2.007 -6.001 -5.072 1.00 0.72 H new ATOM 0 HB2 ALA A 58 -2.968 -5.880 -3.578 1.00 0.72 H new ATOM 0 HB3 ALA A 58 -3.771 -5.783 -5.164 1.00 0.72 H new ATOM 896 N GLU A 59 -3.419 -3.671 -6.922 1.00 0.68 N ATOM 897 CA GLU A 59 -3.345 -3.206 -8.299 1.00 0.74 C ATOM 898 C GLU A 59 -2.926 -1.739 -8.397 1.00 0.73 C ATOM 899 O GLU A 59 -1.977 -1.426 -9.109 1.00 0.81 O ATOM 900 CB GLU A 59 -4.699 -3.398 -8.959 1.00 0.77 C ATOM 901 CG GLU A 59 -4.967 -4.876 -9.289 1.00 0.95 C ATOM 902 CD GLU A 59 -4.974 -5.123 -10.790 1.00 1.08 C ATOM 903 OE1 GLU A 59 -5.972 -4.715 -11.421 1.00 2.14 O ATOM 904 OE2 GLU A 59 -3.980 -5.703 -11.275 1.00 1.55 O ATOM 0 H GLU A 59 -4.281 -4.172 -6.709 1.00 0.68 H new ATOM 0 HA GLU A 59 -2.582 -3.793 -8.810 1.00 0.74 H new ATOM 0 HB2 GLU A 59 -5.482 -3.025 -8.299 1.00 0.77 H new ATOM 0 HB3 GLU A 59 -4.745 -2.807 -9.874 1.00 0.77 H new ATOM 0 HG2 GLU A 59 -4.204 -5.498 -8.821 1.00 0.95 H new ATOM 0 HG3 GLU A 59 -5.926 -5.176 -8.866 1.00 0.95 H new ATOM 911 N PHE A 60 -3.614 -0.852 -7.673 1.00 0.68 N ATOM 912 CA PHE A 60 -3.280 0.556 -7.550 1.00 0.71 C ATOM 913 C PHE A 60 -1.779 0.732 -7.388 1.00 0.75 C ATOM 914 O PHE A 60 -1.151 1.491 -8.115 1.00 1.04 O ATOM 915 CB PHE A 60 -4.007 1.167 -6.341 1.00 0.69 C ATOM 916 CG PHE A 60 -4.625 2.506 -6.641 1.00 0.77 C ATOM 917 CD1 PHE A 60 -3.812 3.636 -6.833 1.00 1.77 C ATOM 918 CD2 PHE A 60 -6.016 2.600 -6.822 1.00 2.07 C ATOM 919 CE1 PHE A 60 -4.394 4.868 -7.169 1.00 1.74 C ATOM 920 CE2 PHE A 60 -6.596 3.829 -7.165 1.00 2.19 C ATOM 921 CZ PHE A 60 -5.789 4.970 -7.323 1.00 1.01 C ATOM 0 H PHE A 60 -4.445 -1.110 -7.141 1.00 0.68 H new ATOM 0 HA PHE A 60 -3.600 1.068 -8.457 1.00 0.71 H new ATOM 0 HB2 PHE A 60 -4.785 0.481 -6.007 1.00 0.69 H new ATOM 0 HB3 PHE A 60 -3.302 1.275 -5.517 1.00 0.69 H new ATOM 0 HD1 PHE A 60 -2.741 3.556 -6.722 1.00 1.77 H new ATOM 0 HD2 PHE A 60 -6.637 1.726 -6.697 1.00 2.07 H new ATOM 0 HE1 PHE A 60 -3.771 5.739 -7.310 1.00 1.74 H new ATOM 0 HE2 PHE A 60 -7.664 3.900 -7.308 1.00 2.19 H new ATOM 0 HZ PHE A 60 -6.239 5.922 -7.562 1.00 1.01 H new ATOM 931 N ILE A 61 -1.177 -0.003 -6.456 1.00 0.58 N ATOM 932 CA ILE A 61 0.240 0.169 -6.169 1.00 0.54 C ATOM 933 C ILE A 61 1.067 -0.260 -7.391 1.00 0.54 C ATOM 934 O ILE A 61 2.138 0.291 -7.654 1.00 0.59 O ATOM 935 CB ILE A 61 0.614 -0.565 -4.868 1.00 0.55 C ATOM 936 CG1 ILE A 61 -0.124 0.054 -3.665 1.00 0.57 C ATOM 937 CG2 ILE A 61 2.124 -0.467 -4.630 1.00 0.60 C ATOM 938 CD1 ILE A 61 -0.169 -0.888 -2.458 1.00 0.74 C ATOM 0 H ILE A 61 -1.644 -0.715 -5.894 1.00 0.58 H new ATOM 0 HA ILE A 61 0.471 1.219 -5.992 1.00 0.54 H new ATOM 0 HB ILE A 61 0.321 -1.610 -4.969 1.00 0.55 H new ATOM 0 HG12 ILE A 61 0.369 0.983 -3.379 1.00 0.57 H new ATOM 0 HG13 ILE A 61 -1.141 0.311 -3.960 1.00 0.57 H new ATOM 0 HG21 ILE A 61 2.382 -0.988 -3.708 1.00 0.60 H new ATOM 0 HG22 ILE A 61 2.654 -0.924 -5.466 1.00 0.60 H new ATOM 0 HG23 ILE A 61 2.412 0.581 -4.547 1.00 0.60 H new ATOM 0 HD11 ILE A 61 -0.700 -0.404 -1.638 1.00 0.74 H new ATOM 0 HD12 ILE A 61 -0.687 -1.807 -2.733 1.00 0.74 H new ATOM 0 HD13 ILE A 61 0.847 -1.124 -2.143 1.00 0.74 H new ATOM 950 N ARG A 62 0.568 -1.232 -8.161 1.00 0.55 N ATOM 951 CA ARG A 62 1.219 -1.671 -9.381 1.00 0.59 C ATOM 952 C ARG A 62 1.138 -0.631 -10.505 1.00 0.57 C ATOM 953 O ARG A 62 1.847 -0.809 -11.493 1.00 0.64 O ATOM 954 CB ARG A 62 0.656 -3.008 -9.906 1.00 0.67 C ATOM 955 CG ARG A 62 0.300 -4.070 -8.859 1.00 0.72 C ATOM 956 CD ARG A 62 1.466 -4.499 -7.968 1.00 2.16 C ATOM 957 NE ARG A 62 2.471 -5.243 -8.734 1.00 2.49 N ATOM 958 CZ ARG A 62 2.440 -6.553 -9.026 1.00 2.81 C ATOM 959 NH1 ARG A 62 1.449 -7.321 -8.561 1.00 3.33 N ATOM 960 NH2 ARG A 62 3.407 -7.082 -9.782 1.00 3.15 N ATOM 0 H ARG A 62 -0.297 -1.730 -7.950 1.00 0.55 H new ATOM 0 HA ARG A 62 2.263 -1.809 -9.101 1.00 0.59 H new ATOM 0 HB2 ARG A 62 -0.239 -2.793 -10.489 1.00 0.67 H new ATOM 0 HB3 ARG A 62 1.387 -3.438 -10.591 1.00 0.67 H new ATOM 0 HG2 ARG A 62 -0.501 -3.685 -8.227 1.00 0.72 H new ATOM 0 HG3 ARG A 62 -0.092 -4.949 -9.371 1.00 0.72 H new ATOM 0 HD2 ARG A 62 1.926 -3.619 -7.517 1.00 2.16 H new ATOM 0 HD3 ARG A 62 1.095 -5.118 -7.152 1.00 2.16 H new ATOM 0 HE ARG A 62 3.272 -4.714 -9.079 1.00 2.49 H new ATOM 0 HH11 ARG A 62 0.715 -6.912 -7.983 1.00 3.33 H new ATOM 0 HH12 ARG A 62 1.427 -8.316 -8.784 1.00 3.33 H new ATOM 0 HH21 ARG A 62 4.161 -6.491 -10.132 1.00 3.15 H new ATOM 0 HH22 ARG A 62 3.391 -8.076 -10.008 1.00 3.15 H new ATOM 974 N GLU A 63 0.326 0.435 -10.405 1.00 0.54 N ATOM 975 CA GLU A 63 0.237 1.426 -11.480 1.00 0.65 C ATOM 976 C GLU A 63 1.623 2.008 -11.793 1.00 0.68 C ATOM 977 O GLU A 63 1.936 2.347 -12.931 1.00 0.72 O ATOM 978 CB GLU A 63 -0.803 2.512 -11.148 1.00 0.85 C ATOM 979 CG GLU A 63 -0.300 3.595 -10.181 1.00 1.65 C ATOM 980 CD GLU A 63 -1.393 4.574 -9.765 1.00 2.62 C ATOM 981 OE1 GLU A 63 -2.335 4.751 -10.566 1.00 2.84 O ATOM 982 OE2 GLU A 63 -1.243 5.152 -8.666 1.00 3.94 O ATOM 0 H GLU A 63 -0.270 0.628 -9.600 1.00 0.54 H new ATOM 0 HA GLU A 63 -0.113 0.931 -12.386 1.00 0.65 H new ATOM 0 HB2 GLU A 63 -1.122 2.989 -12.075 1.00 0.85 H new ATOM 0 HB3 GLU A 63 -1.683 2.036 -10.716 1.00 0.85 H new ATOM 0 HG2 GLU A 63 0.111 3.118 -9.291 1.00 1.65 H new ATOM 0 HG3 GLU A 63 0.514 4.146 -10.652 1.00 1.65 H new ATOM 989 N LEU A 64 2.468 2.077 -10.759 1.00 0.71 N ATOM 990 CA LEU A 64 3.820 2.610 -10.805 1.00 0.79 C ATOM 991 C LEU A 64 4.837 1.563 -11.284 1.00 0.73 C ATOM 992 O LEU A 64 6.018 1.874 -11.414 1.00 0.81 O ATOM 993 CB LEU A 64 4.194 3.079 -9.392 1.00 1.04 C ATOM 994 CG LEU A 64 3.167 4.032 -8.760 1.00 1.31 C ATOM 995 CD1 LEU A 64 3.489 4.217 -7.281 1.00 1.68 C ATOM 996 CD2 LEU A 64 3.126 5.401 -9.445 1.00 1.74 C ATOM 0 H LEU A 64 2.210 1.746 -9.829 1.00 0.71 H new ATOM 0 HA LEU A 64 3.847 3.435 -11.517 1.00 0.79 H new ATOM 0 HB2 LEU A 64 4.309 2.207 -8.749 1.00 1.04 H new ATOM 0 HB3 LEU A 64 5.163 3.578 -9.430 1.00 1.04 H new ATOM 0 HG LEU A 64 2.185 3.577 -8.888 1.00 1.31 H new ATOM 0 HD11 LEU A 64 2.761 4.893 -6.832 1.00 1.68 H new ATOM 0 HD12 LEU A 64 3.448 3.252 -6.776 1.00 1.68 H new ATOM 0 HD13 LEU A 64 4.489 4.639 -7.176 1.00 1.68 H new ATOM 0 HD21 LEU A 64 2.383 6.031 -8.956 1.00 1.74 H new ATOM 0 HD22 LEU A 64 4.106 5.873 -9.373 1.00 1.74 H new ATOM 0 HD23 LEU A 64 2.860 5.275 -10.495 1.00 1.74 H new ATOM 1008 N GLY A 65 4.409 0.317 -11.509 1.00 0.74 N ATOM 1009 CA GLY A 65 5.268 -0.770 -11.955 1.00 0.77 C ATOM 1010 C GLY A 65 6.013 -1.461 -10.809 1.00 0.69 C ATOM 1011 O GLY A 65 6.944 -2.221 -11.064 1.00 0.67 O ATOM 0 H GLY A 65 3.437 0.036 -11.382 1.00 0.74 H new ATOM 0 HA2 GLY A 65 4.664 -1.508 -12.484 1.00 0.77 H new ATOM 0 HA3 GLY A 65 5.994 -0.381 -12.669 1.00 0.77 H new ATOM 1015 N PHE A 66 5.592 -1.256 -9.556 1.00 0.80 N ATOM 1016 CA PHE A 66 6.197 -1.934 -8.411 1.00 0.85 C ATOM 1017 C PHE A 66 5.615 -3.340 -8.248 1.00 0.82 C ATOM 1018 O PHE A 66 4.628 -3.701 -8.888 1.00 0.97 O ATOM 1019 CB PHE A 66 5.986 -1.112 -7.127 1.00 0.97 C ATOM 1020 CG PHE A 66 7.024 -0.032 -6.904 1.00 0.99 C ATOM 1021 CD1 PHE A 66 8.364 -0.393 -6.664 1.00 1.72 C ATOM 1022 CD2 PHE A 66 6.649 1.324 -6.861 1.00 2.60 C ATOM 1023 CE1 PHE A 66 9.329 0.596 -6.413 1.00 2.06 C ATOM 1024 CE2 PHE A 66 7.618 2.315 -6.630 1.00 2.85 C ATOM 1025 CZ PHE A 66 8.958 1.952 -6.409 1.00 1.91 C ATOM 0 H PHE A 66 4.831 -0.622 -9.312 1.00 0.80 H new ATOM 0 HA PHE A 66 7.268 -2.025 -8.592 1.00 0.85 H new ATOM 0 HB2 PHE A 66 4.999 -0.650 -7.163 1.00 0.97 H new ATOM 0 HB3 PHE A 66 5.991 -1.787 -6.272 1.00 0.97 H new ATOM 0 HD1 PHE A 66 8.651 -1.434 -6.673 1.00 1.72 H new ATOM 0 HD2 PHE A 66 5.616 1.603 -7.006 1.00 2.60 H new ATOM 0 HE1 PHE A 66 10.354 0.315 -6.223 1.00 2.06 H new ATOM 0 HE2 PHE A 66 7.333 3.357 -6.622 1.00 2.85 H new ATOM 0 HZ PHE A 66 9.703 2.715 -6.236 1.00 1.91 H new ATOM 1035 N GLY A 67 6.231 -4.137 -7.368 1.00 0.96 N ATOM 1036 CA GLY A 67 5.801 -5.480 -7.009 1.00 1.02 C ATOM 1037 C GLY A 67 5.201 -5.477 -5.607 1.00 0.96 C ATOM 1038 O GLY A 67 5.894 -5.792 -4.643 1.00 0.99 O ATOM 0 H GLY A 67 7.074 -3.847 -6.871 1.00 0.96 H new ATOM 0 HA2 GLY A 67 5.065 -5.840 -7.728 1.00 1.02 H new ATOM 0 HA3 GLY A 67 6.648 -6.165 -7.050 1.00 1.02 H new ATOM 1042 N ALA A 68 3.918 -5.117 -5.491 1.00 0.92 N ATOM 1043 CA ALA A 68 3.191 -5.207 -4.229 1.00 0.81 C ATOM 1044 C ALA A 68 2.660 -6.627 -4.047 1.00 0.69 C ATOM 1045 O ALA A 68 2.315 -7.284 -5.029 1.00 0.82 O ATOM 1046 CB ALA A 68 2.046 -4.193 -4.204 1.00 0.93 C ATOM 0 H ALA A 68 3.361 -4.758 -6.266 1.00 0.92 H new ATOM 0 HA ALA A 68 3.866 -4.975 -3.405 1.00 0.81 H new ATOM 0 HB1 ALA A 68 1.512 -4.271 -3.257 1.00 0.93 H new ATOM 0 HB2 ALA A 68 2.449 -3.186 -4.312 1.00 0.93 H new ATOM 0 HB3 ALA A 68 1.360 -4.399 -5.026 1.00 0.93 H new ATOM 1052 N THR A 69 2.599 -7.089 -2.796 1.00 0.52 N ATOM 1053 CA THR A 69 2.178 -8.432 -2.427 1.00 0.53 C ATOM 1054 C THR A 69 1.273 -8.303 -1.203 1.00 0.54 C ATOM 1055 O THR A 69 1.747 -8.023 -0.105 1.00 0.67 O ATOM 1056 CB THR A 69 3.405 -9.327 -2.175 1.00 0.77 C ATOM 1057 OG1 THR A 69 4.344 -8.714 -1.316 1.00 2.78 O ATOM 1058 CG2 THR A 69 4.120 -9.670 -3.483 1.00 1.72 C ATOM 0 H THR A 69 2.850 -6.516 -1.990 1.00 0.52 H new ATOM 0 HA THR A 69 1.620 -8.913 -3.230 1.00 0.53 H new ATOM 0 HB THR A 69 3.021 -10.232 -1.705 1.00 0.77 H new ATOM 0 HG1 THR A 69 4.193 -7.746 -1.303 1.00 2.78 H new ATOM 0 HG21 THR A 69 4.982 -10.303 -3.271 1.00 1.72 H new ATOM 0 HG22 THR A 69 3.434 -10.200 -4.144 1.00 1.72 H new ATOM 0 HG23 THR A 69 4.454 -8.752 -3.967 1.00 1.72 H new ATOM 1066 N VAL A 70 -0.037 -8.412 -1.426 1.00 0.56 N ATOM 1067 CA VAL A 70 -1.078 -8.106 -0.459 1.00 0.54 C ATOM 1068 C VAL A 70 -1.454 -9.368 0.325 1.00 0.62 C ATOM 1069 O VAL A 70 -1.834 -10.367 -0.283 1.00 0.71 O ATOM 1070 CB VAL A 70 -2.246 -7.465 -1.234 1.00 0.58 C ATOM 1071 CG1 VAL A 70 -3.000 -8.422 -2.172 1.00 0.72 C ATOM 1072 CG2 VAL A 70 -3.265 -6.821 -0.298 1.00 0.57 C ATOM 0 H VAL A 70 -0.411 -8.728 -2.321 1.00 0.56 H new ATOM 0 HA VAL A 70 -0.748 -7.394 0.297 1.00 0.54 H new ATOM 0 HB VAL A 70 -1.757 -6.712 -1.852 1.00 0.58 H new ATOM 0 HG11 VAL A 70 -3.803 -7.882 -2.673 1.00 0.72 H new ATOM 0 HG12 VAL A 70 -2.311 -8.820 -2.916 1.00 0.72 H new ATOM 0 HG13 VAL A 70 -3.421 -9.243 -1.592 1.00 0.72 H new ATOM 0 HG21 VAL A 70 -4.071 -6.381 -0.885 1.00 0.57 H new ATOM 0 HG22 VAL A 70 -3.674 -7.578 0.371 1.00 0.57 H new ATOM 0 HG23 VAL A 70 -2.778 -6.043 0.290 1.00 0.57 H new ATOM 1082 N ILE A 71 -1.325 -9.353 1.656 1.00 0.68 N ATOM 1083 CA ILE A 71 -1.614 -10.498 2.512 1.00 0.82 C ATOM 1084 C ILE A 71 -2.392 -10.071 3.770 1.00 1.02 C ATOM 1085 O ILE A 71 -2.607 -8.877 4.016 1.00 0.80 O ATOM 1086 CB ILE A 71 -0.343 -11.317 2.800 1.00 0.88 C ATOM 1087 CG1 ILE A 71 0.653 -10.593 3.712 1.00 1.08 C ATOM 1088 CG2 ILE A 71 0.354 -11.744 1.499 1.00 1.57 C ATOM 1089 CD1 ILE A 71 1.562 -11.615 4.382 1.00 1.40 C ATOM 0 H ILE A 71 -1.012 -8.531 2.172 1.00 0.68 H new ATOM 0 HA ILE A 71 -2.278 -11.177 1.977 1.00 0.82 H new ATOM 0 HB ILE A 71 -0.682 -12.204 3.335 1.00 0.88 H new ATOM 0 HG12 ILE A 71 1.247 -9.887 3.132 1.00 1.08 H new ATOM 0 HG13 ILE A 71 0.119 -10.016 4.466 1.00 1.08 H new ATOM 0 HG21 ILE A 71 1.248 -12.320 1.737 1.00 1.57 H new ATOM 0 HG22 ILE A 71 -0.325 -12.356 0.906 1.00 1.57 H new ATOM 0 HG23 ILE A 71 0.635 -10.858 0.929 1.00 1.57 H new ATOM 0 HD11 ILE A 71 2.271 -11.101 5.031 1.00 1.40 H new ATOM 0 HD12 ILE A 71 0.960 -12.304 4.975 1.00 1.40 H new ATOM 0 HD13 ILE A 71 2.106 -12.173 3.620 1.00 1.40 H new ATOM 1101 N GLU A 72 -2.843 -11.070 4.541 1.00 1.59 N ATOM 1102 CA GLU A 72 -3.576 -10.953 5.800 1.00 1.93 C ATOM 1103 C GLU A 72 -4.976 -10.362 5.597 1.00 1.33 C ATOM 1104 O GLU A 72 -5.969 -11.059 5.780 1.00 2.76 O ATOM 1105 CB GLU A 72 -2.756 -10.196 6.855 1.00 4.04 C ATOM 1106 CG GLU A 72 -1.427 -10.906 7.175 1.00 5.74 C ATOM 1107 CD GLU A 72 -1.493 -11.653 8.499 1.00 7.57 C ATOM 1108 OE1 GLU A 72 -1.567 -10.952 9.531 1.00 8.53 O ATOM 1109 OE2 GLU A 72 -1.479 -12.901 8.451 1.00 8.30 O ATOM 0 H GLU A 72 -2.693 -12.045 4.280 1.00 1.59 H new ATOM 0 HA GLU A 72 -3.730 -11.960 6.187 1.00 1.93 H new ATOM 0 HB2 GLU A 72 -2.551 -9.187 6.498 1.00 4.04 H new ATOM 0 HB3 GLU A 72 -3.343 -10.098 7.768 1.00 4.04 H new ATOM 0 HG2 GLU A 72 -1.186 -11.605 6.374 1.00 5.74 H new ATOM 0 HG3 GLU A 72 -0.622 -10.172 7.211 1.00 5.74 H new ATOM 1116 N ASN A 73 -5.059 -9.087 5.205 1.00 2.57 N ATOM 1117 CA ASN A 73 -6.307 -8.393 4.879 1.00 4.54 C ATOM 1118 C ASN A 73 -7.308 -8.391 6.046 1.00 4.39 C ATOM 1119 O ASN A 73 -8.510 -8.259 5.822 1.00 5.30 O ATOM 1120 CB ASN A 73 -6.931 -8.989 3.602 1.00 5.98 C ATOM 1121 CG ASN A 73 -6.075 -8.750 2.365 1.00 7.24 C ATOM 1122 OD1 ASN A 73 -6.205 -7.720 1.713 1.00 8.55 O ATOM 1123 ND2 ASN A 73 -5.203 -9.696 2.023 1.00 7.20 N ATOM 0 H ASN A 73 -4.236 -8.493 5.103 1.00 2.57 H new ATOM 0 HA ASN A 73 -6.059 -7.348 4.693 1.00 4.54 H new ATOM 0 HB2 ASN A 73 -7.074 -10.061 3.738 1.00 5.98 H new ATOM 0 HB3 ASN A 73 -7.918 -8.553 3.446 1.00 5.98 H new ATOM 0 HD21 ASN A 73 -4.618 -9.575 1.196 1.00 7.20 H new ATOM 0 HD22 ASN A 73 -5.120 -10.541 2.588 1.00 7.20 H new ATOM 1130 N ILE A 74 -6.835 -8.537 7.288 1.00 3.71 N ATOM 1131 CA ILE A 74 -7.690 -8.844 8.428 1.00 3.48 C ATOM 1132 C ILE A 74 -8.682 -7.716 8.735 1.00 3.35 C ATOM 1133 O ILE A 74 -8.314 -6.541 8.789 1.00 3.96 O ATOM 1134 CB ILE A 74 -6.852 -9.212 9.665 1.00 3.86 C ATOM 1135 CG1 ILE A 74 -5.778 -8.158 9.991 1.00 4.92 C ATOM 1136 CG2 ILE A 74 -6.207 -10.592 9.475 1.00 4.11 C ATOM 1137 CD1 ILE A 74 -5.447 -8.141 11.485 1.00 5.45 C ATOM 0 H ILE A 74 -5.848 -8.445 7.526 1.00 3.71 H new ATOM 0 HA ILE A 74 -8.286 -9.715 8.155 1.00 3.48 H new ATOM 0 HB ILE A 74 -7.533 -9.241 10.516 1.00 3.86 H new ATOM 0 HG12 ILE A 74 -4.874 -8.368 9.419 1.00 4.92 H new ATOM 0 HG13 ILE A 74 -6.128 -7.173 9.683 1.00 4.92 H new ATOM 0 HG21 ILE A 74 -5.616 -10.842 10.356 1.00 4.11 H new ATOM 0 HG22 ILE A 74 -6.986 -11.342 9.335 1.00 4.11 H new ATOM 0 HG23 ILE A 74 -5.560 -10.574 8.598 1.00 4.11 H new ATOM 0 HD11 ILE A 74 -4.686 -7.386 11.680 1.00 5.45 H new ATOM 0 HD12 ILE A 74 -6.346 -7.905 12.054 1.00 5.45 H new ATOM 0 HD13 ILE A 74 -5.073 -9.120 11.786 1.00 5.45 H new ATOM 1149 N GLU A 75 -9.952 -8.074 8.947 1.00 2.92 N ATOM 1150 CA GLU A 75 -11.041 -7.150 9.259 1.00 2.89 C ATOM 1151 C GLU A 75 -11.227 -6.910 10.762 1.00 3.05 C ATOM 1152 O GLU A 75 -12.162 -6.231 11.180 1.00 4.29 O ATOM 1153 CB GLU A 75 -12.333 -7.687 8.640 1.00 2.87 C ATOM 1154 CG GLU A 75 -12.295 -7.626 7.108 1.00 3.45 C ATOM 1155 CD GLU A 75 -13.643 -8.013 6.521 1.00 4.12 C ATOM 1156 OE1 GLU A 75 -14.556 -7.163 6.614 1.00 5.22 O ATOM 1157 OE2 GLU A 75 -13.734 -9.142 5.997 1.00 4.19 O ATOM 0 H GLU A 75 -10.258 -9.046 8.904 1.00 2.92 H new ATOM 0 HA GLU A 75 -10.782 -6.180 8.834 1.00 2.89 H new ATOM 0 HB2 GLU A 75 -12.489 -8.717 8.960 1.00 2.87 H new ATOM 0 HB3 GLU A 75 -13.181 -7.108 9.007 1.00 2.87 H new ATOM 0 HG2 GLU A 75 -12.028 -6.620 6.786 1.00 3.45 H new ATOM 0 HG3 GLU A 75 -11.523 -8.297 6.731 1.00 3.45 H new ATOM 1164 N GLY A 76 -10.347 -7.482 11.579 1.00 3.09 N ATOM 1165 CA GLY A 76 -10.438 -7.475 13.025 1.00 4.05 C ATOM 1166 C GLY A 76 -9.941 -8.822 13.534 1.00 5.09 C ATOM 1167 O GLY A 76 -10.355 -9.867 13.033 1.00 5.98 O ATOM 0 H GLY A 76 -9.525 -7.978 11.235 1.00 3.09 H new ATOM 0 HA2 GLY A 76 -9.838 -6.665 13.441 1.00 4.05 H new ATOM 0 HA3 GLY A 76 -11.467 -7.304 13.341 1.00 4.05 H new ATOM 1171 N ARG A 77 -9.027 -8.793 14.496 1.00 5.74 N ATOM 1172 CA ARG A 77 -8.487 -9.940 15.197 1.00 7.07 C ATOM 1173 C ARG A 77 -7.866 -9.365 16.472 1.00 8.29 C ATOM 1174 O ARG A 77 -7.678 -8.124 16.475 1.00 8.68 O ATOM 1175 CB ARG A 77 -7.443 -10.652 14.315 1.00 7.65 C ATOM 1176 CG ARG A 77 -7.551 -12.182 14.375 1.00 8.43 C ATOM 1177 CD ARG A 77 -7.119 -12.742 15.733 1.00 9.27 C ATOM 1178 NE ARG A 77 -7.237 -14.207 15.768 1.00 10.18 N ATOM 1179 CZ ARG A 77 -6.815 -14.975 16.784 1.00 11.31 C ATOM 1180 NH1 ARG A 77 -6.184 -14.413 17.822 1.00 11.89 N ATOM 1181 NH2 ARG A 77 -7.029 -16.295 16.757 1.00 12.16 N ATOM 1182 OXT ARG A 77 -7.601 -10.153 17.405 1.00 9.24 O ATOM 0 H ARG A 77 -8.623 -7.915 14.823 1.00 5.74 H new ATOM 0 HA ARG A 77 -9.242 -10.690 15.434 1.00 7.07 H new ATOM 0 HB2 ARG A 77 -7.564 -10.325 13.282 1.00 7.65 H new ATOM 0 HB3 ARG A 77 -6.444 -10.351 14.630 1.00 7.65 H new ATOM 0 HG2 ARG A 77 -8.580 -12.480 14.172 1.00 8.43 H new ATOM 0 HG3 ARG A 77 -6.932 -12.619 13.591 1.00 8.43 H new ATOM 0 HD2 ARG A 77 -6.088 -12.453 15.937 1.00 9.27 H new ATOM 0 HD3 ARG A 77 -7.734 -12.306 16.521 1.00 9.27 H new ATOM 0 HE ARG A 77 -7.668 -14.670 14.968 1.00 10.18 H new ATOM 0 HH11 ARG A 77 -6.026 -13.405 17.838 1.00 11.89 H new ATOM 0 HH12 ARG A 77 -5.861 -14.992 18.597 1.00 11.89 H new ATOM 0 HH21 ARG A 77 -7.513 -16.717 15.964 1.00 12.16 H new ATOM 0 HH22 ARG A 77 -6.708 -16.880 17.529 1.00 12.16 H new TER 1196 ARG A 77