USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 21 SER OG : rot -170:sc= 1.06 USER MOD Set 1.2: A 57 SER OG : rot 134:sc= 1.19 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -113:sc= 0.978 (180deg=-0.104) USER MOD Set 2.2: A 66 THR OG1 : rot 122:sc= 0.191 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.184 K(o=-0.18,f=-0.96) USER MOD Single : A 8 THR OG1 : rot -72:sc= 1.4 USER MOD Single : A 10 SER OG : rot 180:sc= 0.095 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.48 K(o=-1.5,f=-4.9!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.143 X(o=0.14,f=-0.092) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 42 SER OG : rot 161:sc= 0.08 USER MOD Single : A 52 SER OG : rot -170:sc= -0.873 USER MOD Single : A 53 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.52) USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= 1.29 (180deg=-0.448) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.15) USER MOD Single : A 67 ASN : amide:sc= -0.0458 K(o=-0.046,f=-3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 70 ASN : amide:sc= -0.837 K(o=-0.84,f=-4!) USER MOD Single : A 71 SER OG : rot 92:sc= 0.0667 USER MOD Single : A 76 ASN : amide:sc= 0.057 K(o=0.057,f=-3.6!) USER MOD Single : A 79 ASN : amide:sc= 0.7 K(o=0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.175 6.413 6.124 1.00 0.00 N ATOM 2 CA ALA A 1 -9.915 5.779 6.561 1.00 0.00 C ATOM 3 C ALA A 1 -9.979 4.276 6.330 1.00 0.00 C ATOM 4 O ALA A 1 -10.926 3.619 6.765 1.00 0.00 O ATOM 5 CB ALA A 1 -9.651 6.077 8.027 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.122 7.439 6.286 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.323 6.229 5.111 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.969 6.018 6.667 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.095 6.191 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.719 5.602 8.333 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.574 7.155 8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.471 5.688 8.631 1.00 0.00 H new ATOM 13 N THR A 2 -8.980 3.739 5.647 1.00 0.00 N ATOM 14 CA THR A 2 -8.943 2.323 5.334 1.00 0.00 C ATOM 15 C THR A 2 -8.471 1.520 6.541 1.00 0.00 C ATOM 16 O THR A 2 -7.308 1.592 6.935 1.00 0.00 O ATOM 17 CB THR A 2 -8.017 2.055 4.132 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.953 3.224 3.299 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.520 0.876 3.317 1.00 0.00 C ATOM 0 H THR A 2 -8.181 4.268 5.298 1.00 0.00 H new ATOM 0 HA THR A 2 -9.954 2.008 5.074 1.00 0.00 H new ATOM 0 HB THR A 2 -7.022 1.818 4.509 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.362 3.051 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.851 0.705 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.548 -0.015 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.523 1.091 2.947 1.00 0.00 H new ATOM 27 N THR A 3 -9.385 0.781 7.147 1.00 0.00 N ATOM 28 CA THR A 3 -9.060 -0.020 8.313 1.00 0.00 C ATOM 29 C THR A 3 -8.860 -1.475 7.922 1.00 0.00 C ATOM 30 O THR A 3 -9.643 -2.030 7.152 1.00 0.00 O ATOM 31 CB THR A 3 -10.172 0.074 9.369 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.834 1.344 9.255 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.610 -0.093 10.772 1.00 0.00 C ATOM 0 H THR A 3 -10.359 0.720 6.850 1.00 0.00 H new ATOM 0 HA THR A 3 -8.135 0.370 8.736 1.00 0.00 H new ATOM 0 HB THR A 3 -10.886 -0.731 9.193 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.545 1.404 9.927 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.419 -0.022 11.499 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.130 -1.068 10.858 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.878 0.691 10.966 1.00 0.00 H new ATOM 41 N ILE A 4 -7.804 -2.079 8.441 1.00 0.00 N ATOM 42 CA ILE A 4 -7.541 -3.483 8.195 1.00 0.00 C ATOM 43 C ILE A 4 -8.042 -4.307 9.373 1.00 0.00 C ATOM 44 O ILE A 4 -7.416 -4.334 10.428 1.00 0.00 O ATOM 45 CB ILE A 4 -6.035 -3.760 7.968 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.545 -3.006 6.724 1.00 0.00 C ATOM 47 CG2 ILE A 4 -5.782 -5.258 7.838 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.272 -3.563 6.113 1.00 0.00 C ATOM 0 H ILE A 4 -7.116 -1.617 9.035 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.069 -3.767 7.285 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.474 -3.400 8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.332 -3.023 5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.379 -1.962 6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.718 -5.435 7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.101 -5.761 8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.346 -5.650 6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.998 -2.971 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.467 -3.521 6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.435 -4.598 5.813 1.00 0.00 H new ATOM 60 N GLY A 5 -9.193 -4.935 9.198 1.00 0.00 N ATOM 61 CA GLY A 5 -9.747 -5.774 10.241 1.00 0.00 C ATOM 62 C GLY A 5 -9.794 -7.228 9.831 1.00 0.00 C ATOM 63 O GLY A 5 -9.197 -7.608 8.821 1.00 0.00 O ATOM 0 H GLY A 5 -9.756 -4.879 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.148 -5.671 11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.753 -5.433 10.485 1.00 0.00 H new ATOM 67 N PRO A 6 -10.507 -8.074 10.595 1.00 0.00 N ATOM 68 CA PRO A 6 -10.639 -9.503 10.287 1.00 0.00 C ATOM 69 C PRO A 6 -11.390 -9.737 8.979 1.00 0.00 C ATOM 70 O PRO A 6 -11.183 -10.744 8.300 1.00 0.00 O ATOM 71 CB PRO A 6 -11.447 -10.053 11.468 1.00 0.00 C ATOM 72 CG PRO A 6 -12.175 -8.872 12.004 1.00 0.00 C ATOM 73 CD PRO A 6 -11.239 -7.710 11.823 1.00 0.00 C ATOM 0 HA PRO A 6 -9.670 -9.984 10.158 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.138 -10.833 11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.796 -10.494 12.223 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.110 -8.710 11.468 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.430 -9.011 13.055 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.778 -6.769 11.710 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.569 -7.593 12.675 1.00 0.00 H new ATOM 81 N ASN A 7 -12.254 -8.794 8.630 1.00 0.00 N ATOM 82 CA ASN A 7 -13.053 -8.899 7.421 1.00 0.00 C ATOM 83 C ASN A 7 -12.564 -7.901 6.384 1.00 0.00 C ATOM 84 O ASN A 7 -13.330 -7.077 5.880 1.00 0.00 O ATOM 85 CB ASN A 7 -14.528 -8.663 7.743 1.00 0.00 C ATOM 86 CG ASN A 7 -15.273 -9.960 7.992 1.00 0.00 C ATOM 87 OD1 ASN A 7 -15.035 -10.964 7.320 1.00 0.00 O ATOM 88 ND2 ASN A 7 -16.181 -9.951 8.954 1.00 0.00 N ATOM 0 H ASN A 7 -12.419 -7.945 9.171 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.947 -9.903 7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.609 -8.025 8.623 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.998 -8.129 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.713 -10.796 9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -16.349 -9.099 9.489 1.00 0.00 H new ATOM 95 N THR A 8 -11.277 -7.975 6.083 1.00 0.00 N ATOM 96 CA THR A 8 -10.662 -7.080 5.118 1.00 0.00 C ATOM 97 C THR A 8 -11.081 -7.433 3.695 1.00 0.00 C ATOM 98 O THR A 8 -11.891 -6.736 3.084 1.00 0.00 O ATOM 99 CB THR A 8 -9.130 -7.139 5.226 1.00 0.00 C ATOM 100 OG1 THR A 8 -8.753 -8.134 6.193 1.00 0.00 O ATOM 101 CG2 THR A 8 -8.563 -5.787 5.625 1.00 0.00 C ATOM 0 H THR A 8 -10.635 -8.651 6.497 1.00 0.00 H new ATOM 0 HA THR A 8 -11.003 -6.070 5.345 1.00 0.00 H new ATOM 0 HB THR A 8 -8.722 -7.405 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.968 -7.813 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.477 -5.854 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.833 -5.044 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.971 -5.492 6.592 1.00 0.00 H new ATOM 109 N CYS A 9 -10.527 -8.518 3.176 1.00 0.00 N ATOM 110 CA CYS A 9 -10.853 -8.970 1.834 1.00 0.00 C ATOM 111 C CYS A 9 -11.775 -10.179 1.904 1.00 0.00 C ATOM 112 O CYS A 9 -11.469 -11.167 2.576 1.00 0.00 O ATOM 113 CB CYS A 9 -9.578 -9.313 1.062 1.00 0.00 C ATOM 114 SG CYS A 9 -8.132 -8.297 1.517 1.00 0.00 S ATOM 0 H CYS A 9 -9.849 -9.102 3.665 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.367 -8.166 1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.337 -10.363 1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.770 -9.195 -0.005 1.00 0.00 H new ATOM 119 N SER A 10 -12.906 -10.091 1.217 1.00 0.00 N ATOM 120 CA SER A 10 -13.904 -11.147 1.232 1.00 0.00 C ATOM 121 C SER A 10 -13.514 -12.294 0.297 1.00 0.00 C ATOM 122 O SER A 10 -14.121 -12.495 -0.757 1.00 0.00 O ATOM 123 CB SER A 10 -15.256 -10.558 0.836 1.00 0.00 C ATOM 124 OG SER A 10 -15.196 -9.138 0.823 1.00 0.00 O ATOM 0 H SER A 10 -13.155 -9.290 0.637 1.00 0.00 H new ATOM 0 HA SER A 10 -13.968 -11.562 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.545 -10.925 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.023 -10.889 1.536 1.00 0.00 H new ATOM 0 HG SER A 10 -16.070 -8.776 0.566 1.00 0.00 H new ATOM 130 N ILE A 11 -12.488 -13.033 0.695 1.00 0.00 N ATOM 131 CA ILE A 11 -12.003 -14.175 -0.068 1.00 0.00 C ATOM 132 C ILE A 11 -11.482 -15.248 0.882 1.00 0.00 C ATOM 133 O ILE A 11 -11.823 -15.247 2.065 1.00 0.00 O ATOM 134 CB ILE A 11 -10.884 -13.778 -1.060 1.00 0.00 C ATOM 135 CG1 ILE A 11 -10.133 -12.532 -0.568 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.472 -13.543 -2.444 1.00 0.00 C ATOM 137 CD1 ILE A 11 -9.086 -12.021 -1.539 1.00 0.00 C ATOM 0 H ILE A 11 -11.969 -12.858 1.555 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.842 -14.561 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.167 -14.597 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.854 -11.738 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.651 -12.762 0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.676 -13.264 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.953 -14.456 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.208 -12.740 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.600 -11.140 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.341 -12.798 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.563 -11.757 -2.483 1.00 0.00 H new ATOM 149 N ASP A 12 -10.671 -16.163 0.363 1.00 0.00 N ATOM 150 CA ASP A 12 -10.042 -17.192 1.188 1.00 0.00 C ATOM 151 C ASP A 12 -9.027 -16.557 2.137 1.00 0.00 C ATOM 152 O ASP A 12 -8.827 -15.339 2.117 1.00 0.00 O ATOM 153 CB ASP A 12 -9.352 -18.235 0.298 1.00 0.00 C ATOM 154 CG ASP A 12 -9.191 -19.593 0.966 1.00 0.00 C ATOM 155 OD1 ASP A 12 -9.459 -19.710 2.179 1.00 0.00 O ATOM 156 OD2 ASP A 12 -8.776 -20.550 0.274 1.00 0.00 O ATOM 0 H ASP A 12 -10.432 -16.214 -0.627 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.812 -17.688 1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.928 -18.356 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.369 -17.862 0.010 1.00 0.00 H new ATOM 161 N ASP A 13 -8.394 -17.376 2.962 1.00 0.00 N ATOM 162 CA ASP A 13 -7.391 -16.893 3.904 1.00 0.00 C ATOM 163 C ASP A 13 -6.195 -16.311 3.161 1.00 0.00 C ATOM 164 O ASP A 13 -5.323 -17.042 2.683 1.00 0.00 O ATOM 165 CB ASP A 13 -6.931 -18.011 4.840 1.00 0.00 C ATOM 166 CG ASP A 13 -5.962 -17.500 5.889 1.00 0.00 C ATOM 167 OD1 ASP A 13 -6.226 -16.432 6.480 1.00 0.00 O ATOM 168 OD2 ASP A 13 -4.933 -18.166 6.132 1.00 0.00 O ATOM 0 H ASP A 13 -8.556 -18.382 3.000 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.850 -16.108 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.797 -18.455 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.455 -18.800 4.258 1.00 0.00 H new ATOM 173 N TYR A 14 -6.179 -14.993 3.055 1.00 0.00 N ATOM 174 CA TYR A 14 -5.118 -14.283 2.363 1.00 0.00 C ATOM 175 C TYR A 14 -4.347 -13.417 3.346 1.00 0.00 C ATOM 176 O TYR A 14 -4.865 -13.068 4.406 1.00 0.00 O ATOM 177 CB TYR A 14 -5.713 -13.411 1.255 1.00 0.00 C ATOM 178 CG TYR A 14 -5.876 -14.130 -0.064 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.826 -14.197 -0.964 1.00 0.00 C ATOM 180 CD2 TYR A 14 -7.076 -14.743 -0.409 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.959 -14.856 -2.168 1.00 0.00 C ATOM 182 CE2 TYR A 14 -7.217 -15.405 -1.614 1.00 0.00 C ATOM 183 CZ TYR A 14 -6.155 -15.458 -2.489 1.00 0.00 C ATOM 184 OH TYR A 14 -6.289 -16.114 -3.691 1.00 0.00 O ATOM 0 H TYR A 14 -6.900 -14.386 3.446 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.436 -15.008 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.686 -13.041 1.579 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.074 -12.541 1.107 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.886 -13.725 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.910 -14.701 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.128 -14.900 -2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.154 -15.878 -1.868 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.194 -16.484 -3.763 1.00 0.00 H new ATOM 194 N LYS A 15 -3.111 -13.081 3.006 1.00 0.00 N ATOM 195 CA LYS A 15 -2.310 -12.209 3.850 1.00 0.00 C ATOM 196 C LYS A 15 -2.515 -10.756 3.434 1.00 0.00 C ATOM 197 O LYS A 15 -2.226 -10.383 2.296 1.00 0.00 O ATOM 198 CB LYS A 15 -0.827 -12.585 3.772 1.00 0.00 C ATOM 199 CG LYS A 15 -0.411 -13.650 4.778 1.00 0.00 C ATOM 200 CD LYS A 15 0.910 -13.302 5.453 1.00 0.00 C ATOM 201 CE LYS A 15 1.965 -14.368 5.200 1.00 0.00 C ATOM 202 NZ LYS A 15 2.642 -14.800 6.453 1.00 0.00 N ATOM 0 H LYS A 15 -2.644 -13.397 2.156 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.633 -12.332 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.604 -12.941 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.226 -11.690 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.188 -13.760 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.319 -14.612 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.267 -12.341 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.753 -13.192 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.499 -15.231 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.708 -13.982 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.638 -14.502 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.169 -14.365 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.592 -15.836 6.535 1.00 0.00 H new ATOM 216 N PRO A 16 -3.053 -9.932 4.344 1.00 0.00 N ATOM 217 CA PRO A 16 -3.306 -8.516 4.092 1.00 0.00 C ATOM 218 C PRO A 16 -2.039 -7.684 4.224 1.00 0.00 C ATOM 219 O PRO A 16 -1.299 -7.811 5.202 1.00 0.00 O ATOM 220 CB PRO A 16 -4.323 -8.124 5.180 1.00 0.00 C ATOM 221 CG PRO A 16 -4.619 -9.378 5.947 1.00 0.00 C ATOM 222 CD PRO A 16 -3.467 -10.309 5.695 1.00 0.00 C ATOM 0 HA PRO A 16 -3.668 -8.340 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.915 -7.354 5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.231 -7.716 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.723 -9.167 7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.558 -9.823 5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.665 -10.170 6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.769 -11.355 5.751 1.00 0.00 H new ATOM 230 N TYR A 17 -1.794 -6.843 3.239 1.00 0.00 N ATOM 231 CA TYR A 17 -0.602 -6.018 3.219 1.00 0.00 C ATOM 232 C TYR A 17 -0.959 -4.551 3.054 1.00 0.00 C ATOM 233 O TYR A 17 -1.888 -4.209 2.320 1.00 0.00 O ATOM 234 CB TYR A 17 0.310 -6.453 2.074 1.00 0.00 C ATOM 235 CG TYR A 17 0.974 -7.788 2.307 1.00 0.00 C ATOM 236 CD1 TYR A 17 2.047 -7.904 3.179 1.00 0.00 C ATOM 237 CD2 TYR A 17 0.524 -8.929 1.659 1.00 0.00 C ATOM 238 CE1 TYR A 17 2.656 -9.123 3.397 1.00 0.00 C ATOM 239 CE2 TYR A 17 1.125 -10.154 1.873 1.00 0.00 C ATOM 240 CZ TYR A 17 2.191 -10.246 2.743 1.00 0.00 C ATOM 241 OH TYR A 17 2.793 -11.464 2.962 1.00 0.00 O ATOM 0 H TYR A 17 -2.410 -6.712 2.436 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.084 -6.144 4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.273 -6.502 1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.079 -5.695 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.411 -7.028 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.310 -8.858 0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.492 -9.198 4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.763 -11.034 1.362 1.00 0.00 H new ATOM 0 HH TYR A 17 2.345 -12.151 2.426 1.00 0.00 H new ATOM 251 N CYS A 18 -0.228 -3.693 3.751 1.00 0.00 N ATOM 252 CA CYS A 18 -0.374 -2.255 3.586 1.00 0.00 C ATOM 253 C CYS A 18 0.669 -1.753 2.599 1.00 0.00 C ATOM 254 O CYS A 18 1.868 -1.805 2.875 1.00 0.00 O ATOM 255 CB CYS A 18 -0.204 -1.529 4.928 1.00 0.00 C ATOM 256 SG CYS A 18 -1.684 -1.547 5.991 1.00 0.00 S ATOM 0 H CYS A 18 0.474 -3.969 4.438 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.375 -2.048 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.623 -1.986 5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.075 -0.494 4.733 1.00 0.00 H new ATOM 261 N CYS A 19 0.220 -1.301 1.439 1.00 0.00 N ATOM 262 CA CYS A 19 1.129 -0.750 0.451 1.00 0.00 C ATOM 263 C CYS A 19 0.609 0.579 -0.075 1.00 0.00 C ATOM 264 O CYS A 19 -0.597 0.750 -0.267 1.00 0.00 O ATOM 265 CB CYS A 19 1.325 -1.726 -0.713 1.00 0.00 C ATOM 266 SG CYS A 19 1.091 -3.481 -0.275 1.00 0.00 S ATOM 0 H CYS A 19 -0.761 -1.305 1.161 1.00 0.00 H new ATOM 0 HA CYS A 19 2.091 -0.586 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.627 -1.467 -1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.330 -1.596 -1.115 1.00 0.00 H new ATOM 271 N GLN A 20 1.511 1.523 -0.298 1.00 0.00 N ATOM 272 CA GLN A 20 1.129 2.821 -0.828 1.00 0.00 C ATOM 273 C GLN A 20 1.192 2.803 -2.347 1.00 0.00 C ATOM 274 O GLN A 20 2.274 2.816 -2.934 1.00 0.00 O ATOM 275 CB GLN A 20 2.049 3.916 -0.281 1.00 0.00 C ATOM 276 CG GLN A 20 1.622 4.458 1.075 1.00 0.00 C ATOM 277 CD GLN A 20 2.110 3.601 2.225 1.00 0.00 C ATOM 278 OE1 GLN A 20 1.344 3.243 3.118 1.00 0.00 O ATOM 279 NE2 GLN A 20 3.391 3.279 2.223 1.00 0.00 N ATOM 0 H GLN A 20 2.510 1.414 -0.120 1.00 0.00 H new ATOM 0 HA GLN A 20 0.107 3.035 -0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.061 3.520 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.084 4.738 -0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.005 5.472 1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.534 4.522 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.995 3.595 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.776 2.714 2.980 1.00 0.00 H new ATOM 288 N SER A 21 0.033 2.760 -2.977 1.00 0.00 N ATOM 289 CA SER A 21 -0.046 2.755 -4.427 1.00 0.00 C ATOM 290 C SER A 21 0.009 4.177 -4.971 1.00 0.00 C ATOM 291 O SER A 21 -0.576 5.096 -4.393 1.00 0.00 O ATOM 292 CB SER A 21 -1.328 2.057 -4.877 1.00 0.00 C ATOM 293 OG SER A 21 -1.727 1.078 -3.932 1.00 0.00 O ATOM 0 H SER A 21 -0.871 2.728 -2.505 1.00 0.00 H new ATOM 0 HA SER A 21 0.809 2.207 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.123 2.792 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.170 1.588 -5.848 1.00 0.00 H new ATOM 0 HG SER A 21 -2.453 0.537 -4.308 1.00 0.00 H new ATOM 299 N MET A 22 0.730 4.360 -6.069 1.00 0.00 N ATOM 300 CA MET A 22 0.848 5.668 -6.694 1.00 0.00 C ATOM 301 C MET A 22 -0.369 5.946 -7.561 1.00 0.00 C ATOM 302 O MET A 22 -0.594 5.284 -8.578 1.00 0.00 O ATOM 303 CB MET A 22 2.132 5.751 -7.513 1.00 0.00 C ATOM 304 CG MET A 22 2.232 6.982 -8.402 1.00 0.00 C ATOM 305 SD MET A 22 3.832 7.108 -9.225 1.00 0.00 S ATOM 306 CE MET A 22 4.728 8.139 -8.063 1.00 0.00 C ATOM 0 H MET A 22 1.242 3.617 -6.545 1.00 0.00 H new ATOM 0 HA MET A 22 0.894 6.429 -5.915 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.984 5.739 -6.833 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.209 4.860 -8.137 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.442 6.950 -9.152 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.064 7.876 -7.801 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.740 8.308 -8.432 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.216 9.095 -7.955 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.774 7.641 -7.095 1.00 0.00 H new ATOM 316 N SER A 23 -1.149 6.923 -7.144 1.00 0.00 N ATOM 317 CA SER A 23 -2.405 7.248 -7.806 1.00 0.00 C ATOM 318 C SER A 23 -2.195 8.212 -8.973 1.00 0.00 C ATOM 319 O SER A 23 -2.888 9.223 -9.093 1.00 0.00 O ATOM 320 CB SER A 23 -3.382 7.845 -6.791 1.00 0.00 C ATOM 321 OG SER A 23 -3.199 7.265 -5.508 1.00 0.00 O ATOM 0 H SER A 23 -0.935 7.514 -6.341 1.00 0.00 H new ATOM 0 HA SER A 23 -2.822 6.327 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.236 8.923 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.406 7.680 -7.126 1.00 0.00 H new ATOM 0 HG SER A 23 -3.833 7.663 -4.876 1.00 0.00 H new ATOM 327 N GLY A 24 -1.242 7.892 -9.836 1.00 0.00 N ATOM 328 CA GLY A 24 -1.000 8.712 -11.003 1.00 0.00 C ATOM 329 C GLY A 24 -1.874 8.293 -12.168 1.00 0.00 C ATOM 330 O GLY A 24 -2.636 7.330 -12.048 1.00 0.00 O ATOM 0 H GLY A 24 -0.632 7.079 -9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.192 9.757 -10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.049 8.639 -11.289 1.00 0.00 H new ATOM 334 N PRO A 25 -1.794 8.997 -13.308 1.00 0.00 N ATOM 335 CA PRO A 25 -2.573 8.659 -14.504 1.00 0.00 C ATOM 336 C PRO A 25 -2.293 7.238 -14.981 1.00 0.00 C ATOM 337 O PRO A 25 -1.149 6.887 -15.287 1.00 0.00 O ATOM 338 CB PRO A 25 -2.110 9.680 -15.552 1.00 0.00 C ATOM 339 CG PRO A 25 -0.833 10.240 -15.019 1.00 0.00 C ATOM 340 CD PRO A 25 -0.945 10.176 -13.523 1.00 0.00 C ATOM 0 HA PRO A 25 -3.646 8.697 -14.314 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.957 9.206 -16.522 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.854 10.464 -15.693 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.023 9.664 -15.371 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.687 11.266 -15.356 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.030 10.063 -13.049 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.396 11.079 -13.113 1.00 0.00 H new ATOM 348 N ALA A 26 -3.337 6.419 -15.016 1.00 0.00 N ATOM 349 CA ALA A 26 -3.219 5.038 -15.459 1.00 0.00 C ATOM 350 C ALA A 26 -2.927 4.966 -16.955 1.00 0.00 C ATOM 351 O ALA A 26 -3.838 4.860 -17.779 1.00 0.00 O ATOM 352 CB ALA A 26 -4.485 4.262 -15.125 1.00 0.00 C ATOM 0 H ALA A 26 -4.281 6.691 -14.741 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.382 4.583 -14.929 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.380 3.231 -15.463 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.646 4.276 -14.047 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.337 4.723 -15.625 1.00 0.00 H new ATOM 358 N GLY A 27 -1.653 5.050 -17.295 1.00 0.00 N ATOM 359 CA GLY A 27 -1.241 4.938 -18.675 1.00 0.00 C ATOM 360 C GLY A 27 -0.537 3.626 -18.939 1.00 0.00 C ATOM 361 O GLY A 27 -0.269 2.862 -18.012 1.00 0.00 O ATOM 0 H GLY A 27 -0.891 5.195 -16.633 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.113 5.021 -19.324 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.577 5.765 -18.926 1.00 0.00 H new ATOM 365 N SER A 28 -0.241 3.356 -20.196 1.00 0.00 N ATOM 366 CA SER A 28 0.435 2.125 -20.564 1.00 0.00 C ATOM 367 C SER A 28 1.912 2.400 -20.833 1.00 0.00 C ATOM 368 O SER A 28 2.245 3.254 -21.654 1.00 0.00 O ATOM 369 CB SER A 28 -0.241 1.512 -21.789 1.00 0.00 C ATOM 370 OG SER A 28 -1.635 1.787 -21.782 1.00 0.00 O ATOM 0 H SER A 28 -0.458 3.972 -20.980 1.00 0.00 H new ATOM 0 HA SER A 28 0.367 1.413 -19.741 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.209 1.912 -22.698 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.078 0.434 -21.800 1.00 0.00 H new ATOM 0 HG SER A 28 -2.051 1.388 -22.575 1.00 0.00 H new ATOM 376 N PRO A 29 2.811 1.705 -20.113 1.00 0.00 N ATOM 377 CA PRO A 29 4.259 1.874 -20.274 1.00 0.00 C ATOM 378 C PRO A 29 4.709 1.670 -21.718 1.00 0.00 C ATOM 379 O PRO A 29 4.564 0.582 -22.279 1.00 0.00 O ATOM 380 CB PRO A 29 4.852 0.788 -19.371 1.00 0.00 C ATOM 381 CG PRO A 29 3.791 0.509 -18.365 1.00 0.00 C ATOM 382 CD PRO A 29 2.484 0.708 -19.081 1.00 0.00 C ATOM 0 HA PRO A 29 4.580 2.883 -20.014 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.102 -0.107 -19.941 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.770 1.129 -18.893 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.875 -0.507 -17.980 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.875 1.181 -17.511 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.121 -0.221 -19.520 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.707 1.067 -18.407 1.00 0.00 H new ATOM 390 N GLY A 30 5.230 2.728 -22.321 1.00 0.00 N ATOM 391 CA GLY A 30 5.681 2.652 -23.694 1.00 0.00 C ATOM 392 C GLY A 30 6.246 3.970 -24.174 1.00 0.00 C ATOM 393 O GLY A 30 5.835 5.036 -23.711 1.00 0.00 O ATOM 0 H GLY A 30 5.349 3.641 -21.882 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.441 1.876 -23.784 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.849 2.359 -24.334 1.00 0.00 H new ATOM 397 N LEU A 31 7.186 3.895 -25.101 1.00 0.00 N ATOM 398 CA LEU A 31 7.844 5.079 -25.638 1.00 0.00 C ATOM 399 C LEU A 31 8.012 4.932 -27.148 1.00 0.00 C ATOM 400 O LEU A 31 7.028 4.758 -27.870 1.00 0.00 O ATOM 401 CB LEU A 31 9.206 5.278 -24.959 1.00 0.00 C ATOM 402 CG LEU A 31 9.442 6.656 -24.333 1.00 0.00 C ATOM 403 CD1 LEU A 31 9.484 7.735 -25.401 1.00 0.00 C ATOM 404 CD2 LEU A 31 8.375 6.966 -23.298 1.00 0.00 C ATOM 0 H LEU A 31 7.515 3.017 -25.502 1.00 0.00 H new ATOM 0 HA LEU A 31 7.229 5.956 -25.437 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.317 4.522 -24.181 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.988 5.095 -25.695 1.00 0.00 H new ATOM 0 HG LEU A 31 10.409 6.638 -23.831 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.653 8.705 -24.932 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.294 7.524 -26.100 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.536 7.752 -25.939 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.562 7.949 -22.866 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.394 6.959 -23.773 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.402 6.213 -22.511 1.00 0.00 H new ATOM 416 N LEU A 32 9.252 4.993 -27.625 1.00 0.00 N ATOM 417 CA LEU A 32 9.542 4.768 -29.032 1.00 0.00 C ATOM 418 C LEU A 32 9.725 3.272 -29.269 1.00 0.00 C ATOM 419 O LEU A 32 9.714 2.786 -30.403 1.00 0.00 O ATOM 420 CB LEU A 32 10.794 5.541 -29.441 1.00 0.00 C ATOM 421 CG LEU A 32 11.134 5.474 -30.925 1.00 0.00 C ATOM 422 CD1 LEU A 32 10.309 6.480 -31.712 1.00 0.00 C ATOM 423 CD2 LEU A 32 12.619 5.709 -31.144 1.00 0.00 C ATOM 0 H LEU A 32 10.072 5.197 -27.054 1.00 0.00 H new ATOM 0 HA LEU A 32 8.713 5.126 -29.642 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.666 6.586 -29.159 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.641 5.159 -28.872 1.00 0.00 H new ATOM 0 HG LEU A 32 10.888 4.476 -31.287 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.568 6.415 -32.769 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.249 6.261 -31.584 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.518 7.486 -31.348 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.842 5.657 -32.210 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.892 6.693 -30.763 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.190 4.945 -30.616 1.00 0.00 H new ATOM 435 N ASN A 33 9.894 2.554 -28.174 1.00 0.00 N ATOM 436 CA ASN A 33 9.987 1.107 -28.195 1.00 0.00 C ATOM 437 C ASN A 33 9.377 0.554 -26.919 1.00 0.00 C ATOM 438 O ASN A 33 9.269 1.275 -25.923 1.00 0.00 O ATOM 439 CB ASN A 33 11.441 0.654 -28.331 1.00 0.00 C ATOM 440 CG ASN A 33 11.634 -0.300 -29.493 1.00 0.00 C ATOM 441 OD1 ASN A 33 12.229 -1.371 -29.344 1.00 0.00 O ATOM 442 ND2 ASN A 33 11.135 0.080 -30.661 1.00 0.00 N ATOM 0 H ASN A 33 9.971 2.960 -27.242 1.00 0.00 H new ATOM 0 HA ASN A 33 9.440 0.727 -29.058 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.081 1.526 -28.468 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.757 0.169 -27.408 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.236 -0.521 -31.479 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.650 0.974 -30.742 1.00 0.00 H new ATOM 449 N LEU A 34 8.965 -0.703 -26.947 1.00 0.00 N ATOM 450 CA LEU A 34 8.302 -1.306 -25.800 1.00 0.00 C ATOM 451 C LEU A 34 9.279 -1.549 -24.655 1.00 0.00 C ATOM 452 O LEU A 34 10.057 -2.503 -24.675 1.00 0.00 O ATOM 453 CB LEU A 34 7.625 -2.620 -26.197 1.00 0.00 C ATOM 454 CG LEU A 34 6.752 -3.257 -25.112 1.00 0.00 C ATOM 455 CD1 LEU A 34 5.565 -2.366 -24.780 1.00 0.00 C ATOM 456 CD2 LEU A 34 6.279 -4.632 -25.554 1.00 0.00 C ATOM 0 H LEU A 34 9.077 -1.325 -27.748 1.00 0.00 H new ATOM 0 HA LEU A 34 7.542 -0.605 -25.456 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.009 -2.441 -27.078 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.396 -3.334 -26.487 1.00 0.00 H new ATOM 0 HG LEU A 34 7.354 -3.369 -24.210 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.960 -2.839 -24.007 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.923 -1.402 -24.420 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.960 -2.218 -25.674 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.660 -5.072 -24.773 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.696 -4.539 -26.470 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.142 -5.272 -25.737 1.00 0.00 H new ATOM 468 N ILE A 35 9.237 -0.671 -23.664 1.00 0.00 N ATOM 469 CA ILE A 35 10.016 -0.845 -22.449 1.00 0.00 C ATOM 470 C ILE A 35 9.078 -1.164 -21.290 1.00 0.00 C ATOM 471 O ILE A 35 8.445 -0.270 -20.726 1.00 0.00 O ATOM 472 CB ILE A 35 10.861 0.406 -22.106 1.00 0.00 C ATOM 473 CG1 ILE A 35 10.375 1.631 -22.885 1.00 0.00 C ATOM 474 CG2 ILE A 35 12.330 0.142 -22.400 1.00 0.00 C ATOM 475 CD1 ILE A 35 9.753 2.694 -22.008 1.00 0.00 C ATOM 0 H ILE A 35 8.667 0.175 -23.679 1.00 0.00 H new ATOM 0 HA ILE A 35 10.710 -1.669 -22.616 1.00 0.00 H new ATOM 0 HB ILE A 35 10.743 0.615 -21.043 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.216 2.064 -23.427 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.645 1.313 -23.630 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.915 1.028 -22.155 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.676 -0.699 -21.799 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.453 -0.093 -23.457 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.431 3.533 -22.625 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.892 2.277 -21.485 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.487 3.040 -21.280 1.00 0.00 H new ATOM 487 N PRO A 36 8.957 -2.452 -20.940 1.00 0.00 N ATOM 488 CA PRO A 36 8.006 -2.912 -19.925 1.00 0.00 C ATOM 489 C PRO A 36 8.342 -2.417 -18.521 1.00 0.00 C ATOM 490 O PRO A 36 9.449 -2.617 -18.020 1.00 0.00 O ATOM 491 CB PRO A 36 8.111 -4.437 -19.997 1.00 0.00 C ATOM 492 CG PRO A 36 9.454 -4.711 -20.581 1.00 0.00 C ATOM 493 CD PRO A 36 9.746 -3.564 -21.505 1.00 0.00 C ATOM 0 HA PRO A 36 7.004 -2.529 -20.117 1.00 0.00 H new ATOM 0 HB2 PRO A 36 8.013 -4.885 -19.008 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.319 -4.857 -20.617 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.211 -4.785 -19.800 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.459 -5.658 -21.121 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.810 -3.329 -21.528 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.447 -3.788 -22.529 1.00 0.00 H new ATOM 501 N VAL A 37 7.380 -1.755 -17.898 1.00 0.00 N ATOM 502 CA VAL A 37 7.525 -1.286 -16.530 1.00 0.00 C ATOM 503 C VAL A 37 6.448 -1.926 -15.662 1.00 0.00 C ATOM 504 O VAL A 37 5.256 -1.770 -15.933 1.00 0.00 O ATOM 505 CB VAL A 37 7.408 0.252 -16.444 1.00 0.00 C ATOM 506 CG1 VAL A 37 7.681 0.741 -15.028 1.00 0.00 C ATOM 507 CG2 VAL A 37 8.352 0.926 -17.431 1.00 0.00 C ATOM 0 H VAL A 37 6.481 -1.529 -18.324 1.00 0.00 H new ATOM 0 HA VAL A 37 8.516 -1.570 -16.175 1.00 0.00 H new ATOM 0 HB VAL A 37 6.386 0.523 -16.708 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.592 1.827 -14.995 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.958 0.297 -14.344 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.688 0.450 -14.730 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.250 2.008 -17.351 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.379 0.640 -17.205 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.103 0.613 -18.445 1.00 0.00 H new ATOM 517 N ASP A 38 6.860 -2.659 -14.643 1.00 0.00 N ATOM 518 CA ASP A 38 5.912 -3.381 -13.801 1.00 0.00 C ATOM 519 C ASP A 38 5.699 -2.671 -12.473 1.00 0.00 C ATOM 520 O ASP A 38 6.617 -2.068 -11.912 1.00 0.00 O ATOM 521 CB ASP A 38 6.387 -4.813 -13.545 1.00 0.00 C ATOM 522 CG ASP A 38 5.241 -5.790 -13.312 1.00 0.00 C ATOM 523 OD1 ASP A 38 4.149 -5.359 -12.869 1.00 0.00 O ATOM 524 OD2 ASP A 38 5.433 -7.000 -13.569 1.00 0.00 O ATOM 0 H ASP A 38 7.838 -2.772 -14.376 1.00 0.00 H new ATOM 0 HA ASP A 38 4.963 -3.411 -14.337 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.978 -5.151 -14.396 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.046 -4.821 -12.677 1.00 0.00 H new ATOM 529 N LEU A 39 4.471 -2.744 -11.998 1.00 0.00 N ATOM 530 CA LEU A 39 4.094 -2.223 -10.697 1.00 0.00 C ATOM 531 C LEU A 39 3.042 -3.149 -10.093 1.00 0.00 C ATOM 532 O LEU A 39 2.635 -3.003 -8.941 1.00 0.00 O ATOM 533 CB LEU A 39 3.549 -0.790 -10.840 1.00 0.00 C ATOM 534 CG LEU A 39 2.774 -0.241 -9.639 1.00 0.00 C ATOM 535 CD1 LEU A 39 3.597 0.806 -8.905 1.00 0.00 C ATOM 536 CD2 LEU A 39 1.443 0.345 -10.089 1.00 0.00 C ATOM 0 H LEU A 39 3.698 -3.171 -12.509 1.00 0.00 H new ATOM 0 HA LEU A 39 4.962 -2.184 -10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.387 -0.123 -11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.897 -0.756 -11.713 1.00 0.00 H new ATOM 0 HG LEU A 39 2.575 -1.063 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.030 1.184 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.525 0.357 -8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.827 1.628 -9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.904 0.731 -9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.623 1.155 -10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.848 -0.431 -10.570 1.00 0.00 H new ATOM 548 N SER A 40 2.646 -4.135 -10.885 1.00 0.00 N ATOM 549 CA SER A 40 1.551 -5.021 -10.533 1.00 0.00 C ATOM 550 C SER A 40 2.066 -6.317 -9.920 1.00 0.00 C ATOM 551 O SER A 40 1.434 -6.889 -9.037 1.00 0.00 O ATOM 552 CB SER A 40 0.724 -5.319 -11.784 1.00 0.00 C ATOM 553 OG SER A 40 1.310 -4.720 -12.933 1.00 0.00 O ATOM 0 H SER A 40 3.075 -4.341 -11.787 1.00 0.00 H new ATOM 0 HA SER A 40 0.927 -4.528 -9.788 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.650 -6.397 -11.928 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.291 -4.945 -11.652 1.00 0.00 H new ATOM 0 HG SER A 40 0.766 -4.925 -13.722 1.00 0.00 H new ATOM 559 N ALA A 41 3.211 -6.783 -10.401 1.00 0.00 N ATOM 560 CA ALA A 41 3.810 -8.005 -9.878 1.00 0.00 C ATOM 561 C ALA A 41 4.911 -7.681 -8.878 1.00 0.00 C ATOM 562 O ALA A 41 5.382 -8.552 -8.146 1.00 0.00 O ATOM 563 CB ALA A 41 4.352 -8.856 -11.012 1.00 0.00 C ATOM 0 H ALA A 41 3.742 -6.336 -11.149 1.00 0.00 H new ATOM 0 HA ALA A 41 3.037 -8.571 -9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.796 -9.765 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.540 -9.121 -11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.110 -8.295 -11.558 1.00 0.00 H new ATOM 569 N SER A 42 5.320 -6.425 -8.856 1.00 0.00 N ATOM 570 CA SER A 42 6.340 -5.962 -7.932 1.00 0.00 C ATOM 571 C SER A 42 5.733 -5.715 -6.556 1.00 0.00 C ATOM 572 O SER A 42 5.226 -4.626 -6.275 1.00 0.00 O ATOM 573 CB SER A 42 6.962 -4.678 -8.471 1.00 0.00 C ATOM 574 OG SER A 42 6.645 -4.500 -9.849 1.00 0.00 O ATOM 0 H SER A 42 4.957 -5.700 -9.475 1.00 0.00 H new ATOM 0 HA SER A 42 7.112 -6.725 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.600 -3.825 -7.897 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.044 -4.712 -8.344 1.00 0.00 H new ATOM 0 HG SER A 42 6.774 -3.560 -10.096 1.00 0.00 H new ATOM 580 N LEU A 43 5.775 -6.723 -5.702 1.00 0.00 N ATOM 581 CA LEU A 43 5.157 -6.623 -4.393 1.00 0.00 C ATOM 582 C LEU A 43 6.208 -6.561 -3.292 1.00 0.00 C ATOM 583 O LEU A 43 7.190 -7.303 -3.299 1.00 0.00 O ATOM 584 CB LEU A 43 4.201 -7.796 -4.157 1.00 0.00 C ATOM 585 CG LEU A 43 2.719 -7.480 -4.400 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.198 -6.506 -3.350 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.512 -6.916 -5.799 1.00 0.00 C ATOM 0 H LEU A 43 6.229 -7.617 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 43 4.583 -5.697 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.493 -8.621 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.320 -8.142 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 43 2.155 -8.409 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.146 -6.295 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.307 -6.947 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.769 -5.579 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.455 -6.699 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.091 -5.999 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.842 -7.646 -6.538 1.00 0.00 H new ATOM 599 N GLY A 44 5.992 -5.656 -2.354 1.00 0.00 N ATOM 600 CA GLY A 44 6.898 -5.485 -1.241 1.00 0.00 C ATOM 601 C GLY A 44 6.246 -4.657 -0.163 1.00 0.00 C ATOM 602 O GLY A 44 6.304 -3.430 -0.193 1.00 0.00 O ATOM 0 H GLY A 44 5.190 -5.026 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.182 -6.458 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.814 -5.000 -1.579 1.00 0.00 H new ATOM 606 N CYS A 45 5.619 -5.325 0.788 1.00 0.00 N ATOM 607 CA CYS A 45 4.770 -4.644 1.747 1.00 0.00 C ATOM 608 C CYS A 45 4.945 -5.202 3.149 1.00 0.00 C ATOM 609 O CYS A 45 5.754 -6.097 3.381 1.00 0.00 O ATOM 610 CB CYS A 45 3.311 -4.790 1.324 1.00 0.00 C ATOM 611 SG CYS A 45 2.962 -4.255 -0.383 1.00 0.00 S ATOM 0 H CYS A 45 5.681 -6.335 0.916 1.00 0.00 H new ATOM 0 HA CYS A 45 5.058 -3.593 1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.018 -5.834 1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.688 -4.212 2.007 1.00 0.00 H new ATOM 616 N VAL A 46 4.175 -4.662 4.080 1.00 0.00 N ATOM 617 CA VAL A 46 4.158 -5.159 5.444 1.00 0.00 C ATOM 618 C VAL A 46 2.759 -5.640 5.793 1.00 0.00 C ATOM 619 O VAL A 46 1.776 -5.170 5.215 1.00 0.00 O ATOM 620 CB VAL A 46 4.598 -4.081 6.458 1.00 0.00 C ATOM 621 CG1 VAL A 46 6.113 -4.046 6.572 1.00 0.00 C ATOM 622 CG2 VAL A 46 4.049 -2.711 6.076 1.00 0.00 C ATOM 0 H VAL A 46 3.550 -3.874 3.913 1.00 0.00 H new ATOM 0 HA VAL A 46 4.868 -5.984 5.505 1.00 0.00 H new ATOM 0 HB VAL A 46 4.186 -4.343 7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.406 -3.281 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.475 -5.018 6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.546 -3.815 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.375 -1.972 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.419 -2.433 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.960 -2.748 6.058 1.00 0.00 H new ATOM 632 N VAL A 47 2.675 -6.581 6.722 1.00 0.00 N ATOM 633 CA VAL A 47 1.399 -7.175 7.104 1.00 0.00 C ATOM 634 C VAL A 47 0.466 -6.128 7.693 1.00 0.00 C ATOM 635 O VAL A 47 0.886 -5.272 8.475 1.00 0.00 O ATOM 636 CB VAL A 47 1.569 -8.321 8.126 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.634 -9.475 7.791 1.00 0.00 C ATOM 638 CG2 VAL A 47 3.013 -8.797 8.178 1.00 0.00 C ATOM 0 H VAL A 47 3.479 -6.952 7.228 1.00 0.00 H new ATOM 0 HA VAL A 47 0.968 -7.586 6.191 1.00 0.00 H new ATOM 0 HB VAL A 47 1.307 -7.938 9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.766 -10.274 8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.398 -9.126 7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.864 -9.852 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.104 -9.604 8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.312 -9.159 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.659 -7.969 8.472 1.00 0.00 H new ATOM 648 N GLY A 48 -0.794 -6.193 7.298 1.00 0.00 N ATOM 649 CA GLY A 48 -1.778 -5.271 7.808 1.00 0.00 C ATOM 650 C GLY A 48 -2.080 -5.516 9.268 1.00 0.00 C ATOM 651 O GLY A 48 -2.339 -6.649 9.677 1.00 0.00 O ATOM 0 H GLY A 48 -1.153 -6.874 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.420 -4.250 7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.696 -5.363 7.228 1.00 0.00 H new ATOM 655 N VAL A 49 -2.027 -4.458 10.056 1.00 0.00 N ATOM 656 CA VAL A 49 -2.319 -4.555 11.476 1.00 0.00 C ATOM 657 C VAL A 49 -3.819 -4.653 11.693 1.00 0.00 C ATOM 658 O VAL A 49 -4.542 -3.666 11.557 1.00 0.00 O ATOM 659 CB VAL A 49 -1.765 -3.355 12.271 1.00 0.00 C ATOM 660 CG1 VAL A 49 -0.777 -3.829 13.321 1.00 0.00 C ATOM 661 CG2 VAL A 49 -1.116 -2.330 11.347 1.00 0.00 C ATOM 0 H VAL A 49 -1.784 -3.520 9.737 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.826 -5.455 11.844 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.601 -2.867 12.772 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.394 -2.971 13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.277 -4.511 14.009 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.051 -4.346 12.835 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.736 -1.497 11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.293 -2.797 10.806 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.855 -1.962 10.635 1.00 0.00 H new ATOM 671 N ILE A 50 -4.277 -5.854 12.016 1.00 0.00 N ATOM 672 CA ILE A 50 -5.696 -6.110 12.201 1.00 0.00 C ATOM 673 C ILE A 50 -6.235 -5.327 13.392 1.00 0.00 C ATOM 674 O ILE A 50 -5.926 -5.629 14.546 1.00 0.00 O ATOM 675 CB ILE A 50 -5.979 -7.620 12.380 1.00 0.00 C ATOM 676 CG1 ILE A 50 -5.545 -8.383 11.126 1.00 0.00 C ATOM 677 CG2 ILE A 50 -7.456 -7.863 12.658 1.00 0.00 C ATOM 678 CD1 ILE A 50 -4.986 -9.757 11.414 1.00 0.00 C ATOM 0 H ILE A 50 -3.681 -6.670 12.156 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.210 -5.775 11.300 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.407 -7.981 13.235 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.400 -8.481 10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.792 -7.798 10.598 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.632 -8.932 12.780 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.745 -7.341 13.570 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.049 -7.491 11.823 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.700 -10.237 10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.111 -9.666 12.057 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.743 -10.360 11.915 1.00 0.00 H new ATOM 690 N GLY A 51 -7.023 -4.306 13.091 1.00 0.00 N ATOM 691 CA GLY A 51 -7.569 -3.448 14.116 1.00 0.00 C ATOM 692 C GLY A 51 -7.044 -2.034 13.996 1.00 0.00 C ATOM 693 O GLY A 51 -7.518 -1.122 14.674 1.00 0.00 O ATOM 0 H GLY A 51 -7.296 -4.056 12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.657 -3.440 14.044 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.318 -3.848 15.098 1.00 0.00 H new ATOM 697 N SER A 52 -6.062 -1.846 13.122 1.00 0.00 N ATOM 698 CA SER A 52 -5.466 -0.539 12.912 1.00 0.00 C ATOM 699 C SER A 52 -5.821 0.013 11.534 1.00 0.00 C ATOM 700 O SER A 52 -6.232 -0.730 10.637 1.00 0.00 O ATOM 701 CB SER A 52 -3.949 -0.621 13.078 1.00 0.00 C ATOM 702 OG SER A 52 -3.602 -1.435 14.188 1.00 0.00 O ATOM 0 H SER A 52 -5.663 -2.588 12.547 1.00 0.00 H new ATOM 0 HA SER A 52 -5.869 0.143 13.660 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.502 -1.027 12.171 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.540 0.380 13.215 1.00 0.00 H new ATOM 0 HG SER A 52 -2.643 -1.347 14.371 1.00 0.00 H new ATOM 708 N GLN A 53 -5.678 1.321 11.374 1.00 0.00 N ATOM 709 CA GLN A 53 -5.966 1.973 10.110 1.00 0.00 C ATOM 710 C GLN A 53 -4.700 2.093 9.266 1.00 0.00 C ATOM 711 O GLN A 53 -3.589 2.132 9.797 1.00 0.00 O ATOM 712 CB GLN A 53 -6.569 3.358 10.355 1.00 0.00 C ATOM 713 CG GLN A 53 -8.046 3.446 10.020 1.00 0.00 C ATOM 714 CD GLN A 53 -8.923 3.670 11.240 1.00 0.00 C ATOM 715 OE1 GLN A 53 -9.829 4.503 11.221 1.00 0.00 O ATOM 716 NE2 GLN A 53 -8.670 2.923 12.305 1.00 0.00 N ATOM 0 H GLN A 53 -5.362 1.952 12.110 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.688 1.364 9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.426 3.627 11.401 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.026 4.092 9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.204 4.260 9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.355 2.527 9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.910 2.243 12.282 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.235 3.028 13.148 1.00 0.00 H new ATOM 725 N CYS A 54 -4.871 2.140 7.955 1.00 0.00 N ATOM 726 CA CYS A 54 -3.755 2.275 7.036 1.00 0.00 C ATOM 727 C CYS A 54 -4.096 3.278 5.941 1.00 0.00 C ATOM 728 O CYS A 54 -5.023 3.058 5.159 1.00 0.00 O ATOM 729 CB CYS A 54 -3.410 0.918 6.414 1.00 0.00 C ATOM 730 SG CYS A 54 -1.736 0.313 6.808 1.00 0.00 S ATOM 0 H CYS A 54 -5.783 2.086 7.501 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.889 2.637 7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.138 0.181 6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.511 0.992 5.331 1.00 0.00 H new ATOM 735 N GLY A 55 -3.353 4.379 5.891 1.00 0.00 N ATOM 736 CA GLY A 55 -3.574 5.379 4.861 1.00 0.00 C ATOM 737 C GLY A 55 -2.952 4.971 3.544 1.00 0.00 C ATOM 738 O GLY A 55 -2.083 5.663 3.008 1.00 0.00 O ATOM 0 H GLY A 55 -2.601 4.597 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.645 5.532 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.154 6.332 5.182 1.00 0.00 H new ATOM 742 N ALA A 56 -3.402 3.842 3.023 1.00 0.00 N ATOM 743 CA ALA A 56 -2.833 3.261 1.821 1.00 0.00 C ATOM 744 C ALA A 56 -3.833 2.317 1.166 1.00 0.00 C ATOM 745 O ALA A 56 -5.044 2.487 1.310 1.00 0.00 O ATOM 746 CB ALA A 56 -1.549 2.524 2.165 1.00 0.00 C ATOM 0 H ALA A 56 -4.171 3.304 3.422 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.602 4.058 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.125 2.089 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.834 3.222 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.765 1.731 2.881 1.00 0.00 H new ATOM 752 N SER A 57 -3.329 1.326 0.451 1.00 0.00 N ATOM 753 CA SER A 57 -4.180 0.337 -0.184 1.00 0.00 C ATOM 754 C SER A 57 -3.941 -1.036 0.433 1.00 0.00 C ATOM 755 O SER A 57 -2.797 -1.427 0.682 1.00 0.00 O ATOM 756 CB SER A 57 -3.917 0.311 -1.690 1.00 0.00 C ATOM 757 OG SER A 57 -3.738 1.626 -2.196 1.00 0.00 O ATOM 0 H SER A 57 -2.331 1.185 0.296 1.00 0.00 H new ATOM 0 HA SER A 57 -5.224 0.606 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.030 -0.287 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.752 -0.169 -2.201 1.00 0.00 H new ATOM 0 HG SER A 57 -2.959 1.644 -2.791 1.00 0.00 H new ATOM 763 N VAL A 58 -5.022 -1.756 0.690 1.00 0.00 N ATOM 764 CA VAL A 58 -4.940 -3.072 1.296 1.00 0.00 C ATOM 765 C VAL A 58 -4.917 -4.149 0.224 1.00 0.00 C ATOM 766 O VAL A 58 -5.866 -4.290 -0.551 1.00 0.00 O ATOM 767 CB VAL A 58 -6.129 -3.340 2.243 1.00 0.00 C ATOM 768 CG1 VAL A 58 -5.951 -4.672 2.960 1.00 0.00 C ATOM 769 CG2 VAL A 58 -6.290 -2.202 3.242 1.00 0.00 C ATOM 0 H VAL A 58 -5.972 -1.446 0.486 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.017 -3.100 1.875 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.039 -3.394 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.799 -4.844 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.896 -5.476 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.031 -4.650 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.134 -2.412 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.381 -2.108 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.471 -1.270 2.706 1.00 0.00 H new ATOM 779 N LYS A 59 -3.829 -4.896 0.171 1.00 0.00 N ATOM 780 CA LYS A 59 -3.707 -5.988 -0.777 1.00 0.00 C ATOM 781 C LYS A 59 -3.751 -7.318 -0.048 1.00 0.00 C ATOM 782 O LYS A 59 -3.176 -7.458 1.029 1.00 0.00 O ATOM 783 CB LYS A 59 -2.407 -5.861 -1.575 1.00 0.00 C ATOM 784 CG LYS A 59 -2.177 -4.465 -2.124 1.00 0.00 C ATOM 785 CD LYS A 59 -2.698 -4.327 -3.548 1.00 0.00 C ATOM 786 CE LYS A 59 -3.988 -3.520 -3.598 1.00 0.00 C ATOM 787 NZ LYS A 59 -4.657 -3.613 -4.926 1.00 0.00 N ATOM 0 H LYS A 59 -3.017 -4.766 0.774 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.544 -5.941 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.568 -6.136 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.425 -6.571 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.672 -3.736 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.111 -4.237 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.942 -3.844 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.871 -5.317 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.668 -3.876 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.770 -2.476 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.689 -3.621 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.388 -2.794 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.361 -4.489 -5.403 1.00 0.00 H new ATOM 801 N CYS A 60 -4.450 -8.283 -0.618 1.00 0.00 N ATOM 802 CA CYS A 60 -4.539 -9.600 -0.022 1.00 0.00 C ATOM 803 C CYS A 60 -3.805 -10.603 -0.896 1.00 0.00 C ATOM 804 O CYS A 60 -4.323 -11.052 -1.919 1.00 0.00 O ATOM 805 CB CYS A 60 -6.004 -10.004 0.163 1.00 0.00 C ATOM 806 SG CYS A 60 -6.662 -9.664 1.830 1.00 0.00 S ATOM 0 H CYS A 60 -4.964 -8.178 -1.493 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.070 -9.583 0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.612 -9.475 -0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.106 -11.069 -0.047 1.00 0.00 H new ATOM 811 N CYS A 61 -2.596 -10.951 -0.495 1.00 0.00 N ATOM 812 CA CYS A 61 -1.756 -11.806 -1.311 1.00 0.00 C ATOM 813 C CYS A 61 -1.380 -13.077 -0.567 1.00 0.00 C ATOM 814 O CYS A 61 -1.041 -13.050 0.616 1.00 0.00 O ATOM 815 CB CYS A 61 -0.488 -11.059 -1.745 1.00 0.00 C ATOM 816 SG CYS A 61 -0.700 -9.257 -1.954 1.00 0.00 S ATOM 0 H CYS A 61 -2.176 -10.656 0.386 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.326 -12.083 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.293 -11.236 -1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.138 -11.482 -2.687 1.00 0.00 H new ATOM 821 N LYS A 62 -1.478 -14.193 -1.262 1.00 0.00 N ATOM 822 CA LYS A 62 -1.069 -15.470 -0.728 1.00 0.00 C ATOM 823 C LYS A 62 0.360 -15.772 -1.146 1.00 0.00 C ATOM 824 O LYS A 62 0.641 -16.082 -2.318 1.00 0.00 O ATOM 825 CB LYS A 62 -2.010 -16.584 -1.186 1.00 0.00 C ATOM 826 CG LYS A 62 -2.825 -17.192 -0.053 1.00 0.00 C ATOM 827 CD LYS A 62 -3.021 -18.688 -0.245 1.00 0.00 C ATOM 828 CE LYS A 62 -3.162 -19.405 1.084 1.00 0.00 C ATOM 829 NZ LYS A 62 -4.573 -19.443 1.544 1.00 0.00 N ATOM 0 H LYS A 62 -1.844 -14.236 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.117 -15.421 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.690 -16.188 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.425 -17.369 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.322 -17.009 0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.797 -16.701 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.910 -18.865 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.174 -19.100 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.783 -20.423 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.549 -18.905 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.649 -20.055 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.885 -18.481 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.176 -19.820 0.785 1.00 0.00 H new ATOM 843 N ASP A 63 1.237 -15.597 -0.182 1.00 0.00 N ATOM 844 CA ASP A 63 2.640 -15.974 -0.270 1.00 0.00 C ATOM 845 C ASP A 63 3.161 -16.065 1.150 1.00 0.00 C ATOM 846 O ASP A 63 2.985 -15.126 1.933 1.00 0.00 O ATOM 847 CB ASP A 63 3.459 -14.953 -1.073 1.00 0.00 C ATOM 848 CG ASP A 63 4.933 -15.321 -1.145 1.00 0.00 C ATOM 849 OD1 ASP A 63 5.247 -16.518 -1.287 1.00 0.00 O ATOM 850 OD2 ASP A 63 5.787 -14.411 -1.070 1.00 0.00 O ATOM 0 H ASP A 63 0.991 -15.176 0.714 1.00 0.00 H new ATOM 0 HA ASP A 63 2.736 -16.926 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.055 -14.881 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.355 -13.968 -0.617 1.00 0.00 H new ATOM 855 N ASP A 64 3.768 -17.185 1.502 1.00 0.00 N ATOM 856 CA ASP A 64 4.102 -17.444 2.896 1.00 0.00 C ATOM 857 C ASP A 64 5.364 -16.714 3.333 1.00 0.00 C ATOM 858 O ASP A 64 6.391 -17.331 3.621 1.00 0.00 O ATOM 859 CB ASP A 64 4.253 -18.941 3.163 1.00 0.00 C ATOM 860 CG ASP A 64 4.014 -19.281 4.622 1.00 0.00 C ATOM 861 OD1 ASP A 64 2.878 -19.083 5.108 1.00 0.00 O ATOM 862 OD2 ASP A 64 4.959 -19.746 5.295 1.00 0.00 O ATOM 0 H ASP A 64 4.038 -17.923 0.852 1.00 0.00 H new ATOM 0 HA ASP A 64 3.270 -17.060 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.549 -19.494 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.254 -19.262 2.874 1.00 0.00 H new ATOM 867 N VAL A 65 5.287 -15.395 3.370 1.00 0.00 N ATOM 868 CA VAL A 65 6.339 -14.599 3.970 1.00 0.00 C ATOM 869 C VAL A 65 6.192 -14.633 5.480 1.00 0.00 C ATOM 870 O VAL A 65 5.332 -13.959 6.047 1.00 0.00 O ATOM 871 CB VAL A 65 6.323 -13.131 3.514 1.00 0.00 C ATOM 872 CG1 VAL A 65 7.742 -12.588 3.436 1.00 0.00 C ATOM 873 CG2 VAL A 65 5.612 -12.974 2.180 1.00 0.00 C ATOM 0 H VAL A 65 4.508 -14.855 2.992 1.00 0.00 H new ATOM 0 HA VAL A 65 7.285 -15.034 3.647 1.00 0.00 H new ATOM 0 HB VAL A 65 5.768 -12.553 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.716 -11.548 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.210 -12.650 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.318 -13.176 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.618 -11.924 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.125 -13.566 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.582 -13.319 2.274 1.00 0.00 H new ATOM 883 N THR A 66 6.997 -15.455 6.116 1.00 0.00 N ATOM 884 CA THR A 66 6.973 -15.582 7.553 1.00 0.00 C ATOM 885 C THR A 66 8.369 -15.412 8.122 1.00 0.00 C ATOM 886 O THR A 66 8.563 -14.886 9.217 1.00 0.00 O ATOM 887 CB THR A 66 6.385 -16.937 7.970 1.00 0.00 C ATOM 888 OG1 THR A 66 5.324 -17.307 7.075 1.00 0.00 O ATOM 889 CG2 THR A 66 5.854 -16.859 9.382 1.00 0.00 C ATOM 0 H THR A 66 7.683 -16.051 5.653 1.00 0.00 H new ATOM 0 HA THR A 66 6.335 -14.795 7.955 1.00 0.00 H new ATOM 0 HB THR A 66 7.172 -17.690 7.925 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.535 -18.167 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.439 -17.825 9.669 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.665 -16.596 10.062 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.075 -16.099 9.436 1.00 0.00 H new ATOM 897 N ASN A 67 9.332 -15.848 7.351 1.00 0.00 N ATOM 898 CA ASN A 67 10.733 -15.680 7.693 1.00 0.00 C ATOM 899 C ASN A 67 11.279 -14.441 6.998 1.00 0.00 C ATOM 900 O ASN A 67 11.178 -14.311 5.776 1.00 0.00 O ATOM 901 CB ASN A 67 11.537 -16.913 7.281 1.00 0.00 C ATOM 902 CG ASN A 67 12.860 -17.021 8.016 1.00 0.00 C ATOM 903 OD1 ASN A 67 13.531 -16.023 8.277 1.00 0.00 O ATOM 904 ND2 ASN A 67 13.243 -18.238 8.354 1.00 0.00 N ATOM 0 H ASN A 67 9.173 -16.331 6.467 1.00 0.00 H new ATOM 0 HA ASN A 67 10.823 -15.558 8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.945 -17.808 7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.724 -16.878 6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.124 -18.376 8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.658 -19.040 8.119 1.00 0.00 H new ATOM 911 N THR A 68 11.848 -13.540 7.774 1.00 0.00 N ATOM 912 CA THR A 68 12.338 -12.280 7.250 1.00 0.00 C ATOM 913 C THR A 68 13.688 -12.450 6.564 1.00 0.00 C ATOM 914 O THR A 68 14.724 -12.560 7.222 1.00 0.00 O ATOM 915 CB THR A 68 12.469 -11.249 8.379 1.00 0.00 C ATOM 916 OG1 THR A 68 12.183 -11.880 9.636 1.00 0.00 O ATOM 917 CG2 THR A 68 11.519 -10.080 8.169 1.00 0.00 C ATOM 0 H THR A 68 11.983 -13.659 8.778 1.00 0.00 H new ATOM 0 HA THR A 68 11.616 -11.928 6.513 1.00 0.00 H new ATOM 0 HB THR A 68 13.489 -10.864 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.268 -11.223 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.635 -9.366 8.985 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.748 -9.590 7.223 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.492 -10.445 8.149 1.00 0.00 H new ATOM 925 N GLY A 69 13.664 -12.483 5.236 1.00 0.00 N ATOM 926 CA GLY A 69 14.890 -12.566 4.472 1.00 0.00 C ATOM 927 C GLY A 69 15.597 -11.232 4.431 1.00 0.00 C ATOM 928 O GLY A 69 16.828 -11.165 4.394 1.00 0.00 O ATOM 0 H GLY A 69 12.812 -12.453 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.547 -13.316 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.668 -12.895 3.457 1.00 0.00 H new ATOM 932 N ASN A 70 14.807 -10.173 4.432 1.00 0.00 N ATOM 933 CA ASN A 70 15.321 -8.816 4.504 1.00 0.00 C ATOM 934 C ASN A 70 14.680 -8.099 5.688 1.00 0.00 C ATOM 935 O ASN A 70 14.141 -8.745 6.585 1.00 0.00 O ATOM 936 CB ASN A 70 15.068 -8.047 3.197 1.00 0.00 C ATOM 937 CG ASN A 70 13.657 -8.214 2.657 1.00 0.00 C ATOM 938 OD1 ASN A 70 12.709 -8.428 3.407 1.00 0.00 O ATOM 939 ND2 ASN A 70 13.506 -8.106 1.345 1.00 0.00 N ATOM 0 H ASN A 70 13.790 -10.229 4.383 1.00 0.00 H new ATOM 0 HA ASN A 70 16.401 -8.858 4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.261 -6.987 3.365 1.00 0.00 H new ATOM 0 HB3 ASN A 70 15.779 -8.384 2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.580 -8.201 0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.316 -7.928 0.751 1.00 0.00 H new ATOM 946 N SER A 71 14.724 -6.777 5.684 1.00 0.00 N ATOM 947 CA SER A 71 14.232 -5.991 6.809 1.00 0.00 C ATOM 948 C SER A 71 12.702 -5.882 6.834 1.00 0.00 C ATOM 949 O SER A 71 12.148 -5.160 7.665 1.00 0.00 O ATOM 950 CB SER A 71 14.853 -4.598 6.755 1.00 0.00 C ATOM 951 OG SER A 71 16.006 -4.595 5.923 1.00 0.00 O ATOM 0 H SER A 71 15.096 -6.222 4.913 1.00 0.00 H new ATOM 0 HA SER A 71 14.525 -6.506 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.123 -3.883 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.123 -4.275 7.761 1.00 0.00 H new ATOM 0 HG SER A 71 15.748 -4.358 5.008 1.00 0.00 H new ATOM 957 N PHE A 72 12.014 -6.592 5.943 1.00 0.00 N ATOM 958 CA PHE A 72 10.556 -6.546 5.907 1.00 0.00 C ATOM 959 C PHE A 72 9.983 -7.799 5.236 1.00 0.00 C ATOM 960 O PHE A 72 10.646 -8.833 5.177 1.00 0.00 O ATOM 961 CB PHE A 72 10.073 -5.250 5.225 1.00 0.00 C ATOM 962 CG PHE A 72 10.100 -5.261 3.719 1.00 0.00 C ATOM 963 CD1 PHE A 72 11.294 -5.389 3.023 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.923 -5.138 3.002 1.00 0.00 C ATOM 965 CE1 PHE A 72 11.306 -5.394 1.642 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.928 -5.145 1.624 1.00 0.00 C ATOM 967 CZ PHE A 72 10.122 -5.273 0.942 1.00 0.00 C ATOM 0 H PHE A 72 12.438 -7.200 5.243 1.00 0.00 H new ATOM 0 HA PHE A 72 10.182 -6.536 6.931 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.053 -5.047 5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.691 -4.423 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.222 -5.486 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.987 -5.035 3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.241 -5.492 1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.001 -5.051 1.079 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.130 -5.278 -0.138 1.00 0.00 H new ATOM 977 N LEU A 73 8.750 -7.715 4.749 1.00 0.00 N ATOM 978 CA LEU A 73 8.089 -8.859 4.136 1.00 0.00 C ATOM 979 C LEU A 73 8.068 -8.733 2.617 1.00 0.00 C ATOM 980 O LEU A 73 7.234 -8.025 2.051 1.00 0.00 O ATOM 981 CB LEU A 73 6.660 -8.988 4.664 1.00 0.00 C ATOM 982 CG LEU A 73 6.510 -9.823 5.933 1.00 0.00 C ATOM 983 CD1 LEU A 73 6.602 -8.937 7.166 1.00 0.00 C ATOM 984 CD2 LEU A 73 5.190 -10.576 5.913 1.00 0.00 C ATOM 0 H LEU A 73 8.188 -6.864 4.767 1.00 0.00 H new ATOM 0 HA LEU A 73 8.654 -9.754 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.269 -7.989 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.039 -9.428 3.883 1.00 0.00 H new ATOM 0 HG LEU A 73 7.322 -10.549 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.493 -9.548 8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.570 -8.437 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.809 -8.190 7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.095 -11.168 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.366 -9.865 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.161 -11.236 5.046 1.00 0.00 H new ATOM 996 N ILE A 74 8.994 -9.411 1.960 1.00 0.00 N ATOM 997 CA ILE A 74 9.022 -9.433 0.504 1.00 0.00 C ATOM 998 C ILE A 74 8.021 -10.465 -0.021 1.00 0.00 C ATOM 999 O ILE A 74 8.147 -11.661 0.243 1.00 0.00 O ATOM 1000 CB ILE A 74 10.445 -9.731 -0.040 1.00 0.00 C ATOM 1001 CG1 ILE A 74 10.406 -9.982 -1.551 1.00 0.00 C ATOM 1002 CG2 ILE A 74 11.075 -10.912 0.688 1.00 0.00 C ATOM 1003 CD1 ILE A 74 10.579 -8.725 -2.374 1.00 0.00 C ATOM 0 H ILE A 74 9.734 -9.952 2.408 1.00 0.00 H new ATOM 0 HA ILE A 74 8.739 -8.443 0.148 1.00 0.00 H new ATOM 0 HB ILE A 74 11.066 -8.854 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.191 -10.691 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.456 -10.449 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 74 12.071 -11.098 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.149 -10.686 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.456 -11.798 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.541 -8.976 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.779 -8.023 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 74 11.542 -8.269 -2.143 1.00 0.00 H new ATOM 1015 N ILE A 75 7.018 -9.990 -0.746 1.00 0.00 N ATOM 1016 CA ILE A 75 5.945 -10.851 -1.228 1.00 0.00 C ATOM 1017 C ILE A 75 6.138 -11.202 -2.690 1.00 0.00 C ATOM 1018 O ILE A 75 6.502 -10.354 -3.504 1.00 0.00 O ATOM 1019 CB ILE A 75 4.555 -10.191 -1.073 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.547 -9.221 0.106 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.463 -11.246 -0.908 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.756 -7.963 -0.166 1.00 0.00 C ATOM 0 H ILE A 75 6.924 -9.010 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 75 5.986 -11.752 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 75 4.347 -9.628 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.130 -9.723 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.574 -8.951 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.496 -10.755 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.446 -11.893 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.666 -11.844 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.789 -7.316 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.186 -7.440 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.721 -8.224 -0.385 1.00 0.00 H new ATOM 1034 N ASN A 76 5.908 -12.459 -3.009 1.00 0.00 N ATOM 1035 CA ASN A 76 5.879 -12.907 -4.387 1.00 0.00 C ATOM 1036 C ASN A 76 4.562 -12.484 -5.025 1.00 0.00 C ATOM 1037 O ASN A 76 3.565 -12.297 -4.323 1.00 0.00 O ATOM 1038 CB ASN A 76 6.018 -14.425 -4.435 1.00 0.00 C ATOM 1039 CG ASN A 76 6.539 -14.941 -5.761 1.00 0.00 C ATOM 1040 OD1 ASN A 76 6.745 -14.184 -6.712 1.00 0.00 O ATOM 1041 ND2 ASN A 76 6.756 -16.242 -5.828 1.00 0.00 N ATOM 0 H ASN A 76 5.737 -13.196 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 76 6.706 -12.458 -4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.690 -14.746 -3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.047 -14.878 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.108 -16.657 -6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.572 -16.832 -5.017 1.00 0.00 H new ATOM 1048 N ALA A 77 4.557 -12.333 -6.341 1.00 0.00 N ATOM 1049 CA ALA A 77 3.340 -11.980 -7.055 1.00 0.00 C ATOM 1050 C ALA A 77 2.296 -13.069 -6.853 1.00 0.00 C ATOM 1051 O ALA A 77 1.120 -12.773 -6.627 1.00 0.00 O ATOM 1052 CB ALA A 77 3.632 -11.773 -8.534 1.00 0.00 C ATOM 0 H ALA A 77 5.379 -12.449 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 77 2.949 -11.043 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.711 -11.510 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.358 -10.969 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.037 -12.692 -8.957 1.00 0.00 H new ATOM 1058 N ALA A 78 2.773 -14.316 -6.949 1.00 0.00 N ATOM 1059 CA ALA A 78 2.020 -15.532 -6.625 1.00 0.00 C ATOM 1060 C ALA A 78 0.502 -15.351 -6.650 1.00 0.00 C ATOM 1061 O ALA A 78 -0.109 -15.311 -7.721 1.00 0.00 O ATOM 1062 CB ALA A 78 2.475 -16.068 -5.274 1.00 0.00 C ATOM 0 H ALA A 78 3.723 -14.512 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 78 2.239 -16.254 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.915 -16.972 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.539 -16.301 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.297 -15.316 -4.505 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.100 -15.234 -5.469 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.553 -15.193 -5.366 1.00 0.00 C ATOM 1070 C ASN A 79 -2.045 -13.912 -4.708 1.00 0.00 C ATOM 1071 O ASN A 79 -2.550 -13.950 -3.598 1.00 0.00 O ATOM 1072 CB ASN A 79 -2.043 -16.379 -4.538 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.397 -17.692 -4.928 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.829 -18.351 -5.873 1.00 0.00 O ATOM 1075 ND2 ASN A 79 -0.359 -18.083 -4.203 1.00 0.00 N ATOM 0 H ASN A 79 0.392 -15.167 -4.578 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.949 -15.235 -6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.845 -16.184 -3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.124 -16.468 -4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.113 -18.960 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.032 -17.507 -3.427 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.946 -12.784 -5.377 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.377 -11.540 -4.760 1.00 0.00 C ATOM 1084 C CYS A 80 -3.582 -10.954 -5.485 1.00 0.00 C ATOM 1085 O CYS A 80 -3.590 -10.833 -6.712 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.233 -10.524 -4.710 1.00 0.00 C ATOM 1087 SG CYS A 80 -1.632 -9.020 -3.752 1.00 0.00 S ATOM 0 H CYS A 80 -1.581 -12.697 -6.325 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.675 -11.767 -3.737 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.354 -11.000 -4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.968 -10.237 -5.728 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.605 -10.614 -4.707 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.825 -10.014 -5.232 1.00 0.00 C ATOM 1094 C VAL A 81 -6.300 -8.902 -4.311 1.00 0.00 C ATOM 1095 O VAL A 81 -6.303 -9.062 -3.086 1.00 0.00 O ATOM 1096 CB VAL A 81 -6.972 -11.037 -5.393 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.279 -11.256 -6.862 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.645 -12.357 -4.708 1.00 0.00 C ATOM 0 H VAL A 81 -4.611 -10.747 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.576 -9.623 -6.218 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.857 -10.627 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.089 -11.979 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.579 -10.311 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.391 -11.635 -7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.474 -13.052 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.742 -12.781 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.485 -12.185 -3.644 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.692 -7.782 -4.907 1.00 0.00 N ATOM 1109 CA ALA A 82 -7.192 -6.626 -4.173 1.00 0.00 C ATOM 1110 C ALA A 82 -7.487 -5.498 -5.148 1.00 0.00 C ATOM 1111 O ALA A 82 -7.264 -4.320 -4.794 1.00 0.00 O ATOM 1112 CB ALA A 82 -6.196 -6.167 -3.118 1.00 0.00 C ATOM 1113 OXT ALA A 82 -7.896 -5.805 -6.286 1.00 0.00 O ATOM 0 H ALA A 82 -6.672 -7.650 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.109 -6.912 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.599 -5.304 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.017 -6.976 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.257 -5.892 -3.599 1.00 0.00 H new TER 1119 ALA A 82