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 70 ASN : amide:sc= 0.256 K(o=0.42,f=-2.9!) USER MOD Set 1.2: A 71 SER OG : rot 87:sc= 0.161 USER MOD Set 2.1: A 21 SER OG : rot -97:sc= 1.24 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.0889 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.051) USER MOD Single : A 8 THR OG1 : rot -61:sc= 0.793 USER MOD Single : A 10 SER OG : rot 180:sc= 0.132 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00797 X(o=-0.008,f=-0.17) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -1.21 USER MOD Single : A 28 SER OG : rot -86:sc= 1.39 USER MOD Single : A 33 ASN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 40 SER OG : rot 121:sc= 1.26 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00199 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= -0.162 (180deg=-1.43!) USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= 1.23 (180deg=-0.287) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 76 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 79 ASN : amide:sc= 1.15 K(o=1.1,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.641 7.060 5.617 1.00 0.00 N ATOM 2 CA ALA A 1 -7.768 5.865 5.653 1.00 0.00 C ATOM 3 C ALA A 1 -8.606 4.599 5.741 1.00 0.00 C ATOM 4 O ALA A 1 -9.771 4.644 6.132 1.00 0.00 O ATOM 5 CB ALA A 1 -6.805 5.943 6.831 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.722 7.401 4.638 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.585 6.811 5.976 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.230 7.808 6.212 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.187 5.835 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.171 5.056 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.183 6.833 6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.371 5.996 7.761 1.00 0.00 H new ATOM 13 N THR A 2 -8.021 3.473 5.368 1.00 0.00 N ATOM 14 CA THR A 2 -8.718 2.203 5.431 1.00 0.00 C ATOM 15 C THR A 2 -8.309 1.425 6.679 1.00 0.00 C ATOM 16 O THR A 2 -7.141 1.068 6.841 1.00 0.00 O ATOM 17 CB THR A 2 -8.435 1.356 4.177 1.00 0.00 C ATOM 18 OG1 THR A 2 -7.785 2.160 3.180 1.00 0.00 O ATOM 19 CG2 THR A 2 -9.723 0.780 3.609 1.00 0.00 C ATOM 0 H THR A 2 -7.065 3.414 5.018 1.00 0.00 H new ATOM 0 HA THR A 2 -9.786 2.414 5.477 1.00 0.00 H new ATOM 0 HB THR A 2 -7.783 0.531 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.606 1.615 2.386 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.497 0.186 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.200 0.148 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.397 1.593 3.338 1.00 0.00 H new ATOM 27 N THR A 3 -9.261 1.198 7.570 1.00 0.00 N ATOM 28 CA THR A 3 -9.015 0.405 8.766 1.00 0.00 C ATOM 29 C THR A 3 -9.065 -1.080 8.427 1.00 0.00 C ATOM 30 O THR A 3 -10.079 -1.582 7.938 1.00 0.00 O ATOM 31 CB THR A 3 -10.044 0.725 9.869 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.352 2.125 9.853 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.509 0.336 11.237 1.00 0.00 C ATOM 0 H THR A 3 -10.214 1.552 7.488 1.00 0.00 H new ATOM 0 HA THR A 3 -8.023 0.659 9.141 1.00 0.00 H new ATOM 0 HB THR A 3 -10.948 0.148 9.674 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.007 2.324 10.554 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.252 0.571 11.999 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.297 -0.733 11.254 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.593 0.891 11.441 1.00 0.00 H new ATOM 41 N ILE A 4 -7.969 -1.778 8.687 1.00 0.00 N ATOM 42 CA ILE A 4 -7.831 -3.167 8.277 1.00 0.00 C ATOM 43 C ILE A 4 -8.547 -4.108 9.239 1.00 0.00 C ATOM 44 O ILE A 4 -8.324 -4.068 10.452 1.00 0.00 O ATOM 45 CB ILE A 4 -6.345 -3.566 8.162 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.604 -2.563 7.272 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.214 -4.978 7.609 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.145 -2.900 7.043 1.00 0.00 C ATOM 0 H ILE A 4 -7.160 -1.403 9.182 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.297 -3.259 7.296 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.896 -3.550 9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.109 -2.507 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.671 -1.574 7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.159 -5.243 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.718 -5.678 8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.671 -5.025 6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.693 -2.142 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.623 -2.926 8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.068 -3.874 6.561 1.00 0.00 H new ATOM 60 N GLY A 5 -9.421 -4.941 8.684 1.00 0.00 N ATOM 61 CA GLY A 5 -10.131 -5.927 9.474 1.00 0.00 C ATOM 62 C GLY A 5 -9.627 -7.333 9.203 1.00 0.00 C ATOM 63 O GLY A 5 -8.875 -7.540 8.249 1.00 0.00 O ATOM 0 H GLY A 5 -9.651 -4.949 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.015 -5.697 10.533 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.197 -5.873 9.251 1.00 0.00 H new ATOM 67 N PRO A 6 -10.045 -8.322 10.015 1.00 0.00 N ATOM 68 CA PRO A 6 -9.566 -9.713 9.910 1.00 0.00 C ATOM 69 C PRO A 6 -9.908 -10.345 8.566 1.00 0.00 C ATOM 70 O PRO A 6 -9.105 -11.071 7.980 1.00 0.00 O ATOM 71 CB PRO A 6 -10.309 -10.443 11.037 1.00 0.00 C ATOM 72 CG PRO A 6 -10.772 -9.370 11.961 1.00 0.00 C ATOM 73 CD PRO A 6 -11.024 -8.165 11.103 1.00 0.00 C ATOM 0 HA PRO A 6 -8.480 -9.768 9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.150 -11.016 10.647 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.653 -11.147 11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.678 -9.672 12.486 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.020 -9.158 12.720 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.047 -8.145 10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.869 -7.238 11.654 1.00 0.00 H new ATOM 81 N ASN A 7 -11.107 -10.066 8.088 1.00 0.00 N ATOM 82 CA ASN A 7 -11.554 -10.567 6.801 1.00 0.00 C ATOM 83 C ASN A 7 -11.864 -9.399 5.883 1.00 0.00 C ATOM 84 O ASN A 7 -13.017 -9.148 5.532 1.00 0.00 O ATOM 85 CB ASN A 7 -12.786 -11.467 6.957 1.00 0.00 C ATOM 86 CG ASN A 7 -13.601 -11.135 8.193 1.00 0.00 C ATOM 87 OD1 ASN A 7 -14.343 -10.154 8.215 1.00 0.00 O ATOM 88 ND2 ASN A 7 -13.466 -11.944 9.232 1.00 0.00 N ATOM 0 H ASN A 7 -11.793 -9.491 8.576 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.757 -11.169 6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.417 -11.369 6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.467 -12.508 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.988 -11.764 10.090 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.840 -12.748 9.175 1.00 0.00 H new ATOM 95 N THR A 8 -10.816 -8.675 5.519 1.00 0.00 N ATOM 96 CA THR A 8 -10.940 -7.503 4.668 1.00 0.00 C ATOM 97 C THR A 8 -11.499 -7.874 3.299 1.00 0.00 C ATOM 98 O THR A 8 -12.390 -7.207 2.772 1.00 0.00 O ATOM 99 CB THR A 8 -9.573 -6.825 4.494 1.00 0.00 C ATOM 100 OG1 THR A 8 -8.618 -7.425 5.383 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.668 -5.335 4.765 1.00 0.00 C ATOM 0 H THR A 8 -9.859 -8.883 5.805 1.00 0.00 H new ATOM 0 HA THR A 8 -11.631 -6.813 5.151 1.00 0.00 H new ATOM 0 HB THR A 8 -9.247 -6.964 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.906 -7.293 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.687 -4.878 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.374 -4.883 4.068 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.012 -5.172 5.787 1.00 0.00 H new ATOM 109 N CYS A 9 -10.968 -8.943 2.737 1.00 0.00 N ATOM 110 CA CYS A 9 -11.420 -9.430 1.449 1.00 0.00 C ATOM 111 C CYS A 9 -11.959 -10.849 1.594 1.00 0.00 C ATOM 112 O CYS A 9 -11.322 -11.700 2.220 1.00 0.00 O ATOM 113 CB CYS A 9 -10.269 -9.387 0.444 1.00 0.00 C ATOM 114 SG CYS A 9 -8.629 -9.157 1.211 1.00 0.00 S ATOM 0 H CYS A 9 -10.218 -9.493 3.156 1.00 0.00 H new ATOM 0 HA CYS A 9 -12.223 -8.791 1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -10.265 -10.314 -0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.446 -8.576 -0.263 1.00 0.00 H new ATOM 119 N SER A 10 -13.133 -11.097 1.034 1.00 0.00 N ATOM 120 CA SER A 10 -13.784 -12.394 1.146 1.00 0.00 C ATOM 121 C SER A 10 -13.192 -13.403 0.161 1.00 0.00 C ATOM 122 O SER A 10 -13.825 -13.776 -0.830 1.00 0.00 O ATOM 123 CB SER A 10 -15.281 -12.224 0.900 1.00 0.00 C ATOM 124 OG SER A 10 -15.590 -10.861 0.650 1.00 0.00 O ATOM 0 H SER A 10 -13.659 -10.411 0.493 1.00 0.00 H new ATOM 0 HA SER A 10 -13.618 -12.784 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.588 -12.835 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.841 -12.577 1.766 1.00 0.00 H new ATOM 0 HG SER A 10 -16.553 -10.767 0.492 1.00 0.00 H new ATOM 130 N ILE A 11 -11.969 -13.836 0.434 1.00 0.00 N ATOM 131 CA ILE A 11 -11.300 -14.826 -0.396 1.00 0.00 C ATOM 132 C ILE A 11 -10.785 -15.964 0.473 1.00 0.00 C ATOM 133 O ILE A 11 -11.080 -16.015 1.670 1.00 0.00 O ATOM 134 CB ILE A 11 -10.126 -14.222 -1.203 1.00 0.00 C ATOM 135 CG1 ILE A 11 -9.988 -12.719 -0.938 1.00 0.00 C ATOM 136 CG2 ILE A 11 -10.327 -14.485 -2.689 1.00 0.00 C ATOM 137 CD1 ILE A 11 -8.784 -12.092 -1.609 1.00 0.00 C ATOM 0 H ILE A 11 -11.418 -13.514 1.229 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.034 -15.198 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.203 -14.703 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.890 -12.214 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.921 -12.553 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.496 -14.057 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.368 -15.560 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.260 -14.027 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.751 -11.027 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.875 -12.571 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.858 -12.226 -2.688 1.00 0.00 H new ATOM 149 N ASP A 12 -10.014 -16.864 -0.120 1.00 0.00 N ATOM 150 CA ASP A 12 -9.516 -18.033 0.596 1.00 0.00 C ATOM 151 C ASP A 12 -8.298 -17.679 1.452 1.00 0.00 C ATOM 152 O ASP A 12 -8.301 -16.661 2.144 1.00 0.00 O ATOM 153 CB ASP A 12 -9.198 -19.170 -0.390 1.00 0.00 C ATOM 154 CG ASP A 12 -8.130 -18.815 -1.409 1.00 0.00 C ATOM 155 OD1 ASP A 12 -8.370 -17.917 -2.241 1.00 0.00 O ATOM 156 OD2 ASP A 12 -7.054 -19.453 -1.389 1.00 0.00 O ATOM 0 H ASP A 12 -9.719 -16.809 -1.095 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.297 -18.380 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.874 -20.046 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.111 -19.448 -0.916 1.00 0.00 H new ATOM 161 N ASP A 13 -7.267 -18.516 1.419 1.00 0.00 N ATOM 162 CA ASP A 13 -6.075 -18.291 2.233 1.00 0.00 C ATOM 163 C ASP A 13 -5.329 -17.055 1.758 1.00 0.00 C ATOM 164 O ASP A 13 -4.614 -17.097 0.760 1.00 0.00 O ATOM 165 CB ASP A 13 -5.148 -19.510 2.194 1.00 0.00 C ATOM 166 CG ASP A 13 -4.051 -19.433 3.240 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.360 -19.118 4.410 1.00 0.00 O ATOM 168 OD2 ASP A 13 -2.879 -19.700 2.901 1.00 0.00 O ATOM 0 H ASP A 13 -7.231 -19.355 0.840 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.397 -18.134 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.735 -20.415 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.698 -19.590 1.204 1.00 0.00 H new ATOM 173 N TYR A 14 -5.512 -15.953 2.471 1.00 0.00 N ATOM 174 CA TYR A 14 -4.884 -14.698 2.104 1.00 0.00 C ATOM 175 C TYR A 14 -4.539 -13.892 3.343 1.00 0.00 C ATOM 176 O TYR A 14 -5.202 -14.004 4.378 1.00 0.00 O ATOM 177 CB TYR A 14 -5.807 -13.884 1.191 1.00 0.00 C ATOM 178 CG TYR A 14 -5.686 -14.270 -0.265 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.577 -13.900 -1.011 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.671 -15.025 -0.884 1.00 0.00 C ATOM 181 CE1 TYR A 14 -4.448 -14.277 -2.331 1.00 0.00 C ATOM 182 CE2 TYR A 14 -6.553 -15.402 -2.206 1.00 0.00 C ATOM 183 CZ TYR A 14 -5.442 -15.025 -2.927 1.00 0.00 C ATOM 184 OH TYR A 14 -5.319 -15.412 -4.242 1.00 0.00 O ATOM 0 H TYR A 14 -6.092 -15.906 3.309 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.964 -14.922 1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.840 -14.020 1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.576 -12.825 1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.801 -13.306 -0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.544 -15.323 -0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.574 -13.988 -2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.329 -15.990 -2.673 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.106 -15.933 -4.505 1.00 0.00 H new ATOM 194 N LYS A 15 -3.492 -13.090 3.236 1.00 0.00 N ATOM 195 CA LYS A 15 -3.085 -12.221 4.324 1.00 0.00 C ATOM 196 C LYS A 15 -3.219 -10.763 3.901 1.00 0.00 C ATOM 197 O LYS A 15 -2.847 -10.403 2.782 1.00 0.00 O ATOM 198 CB LYS A 15 -1.643 -12.523 4.739 1.00 0.00 C ATOM 199 CG LYS A 15 -1.529 -13.596 5.814 1.00 0.00 C ATOM 200 CD LYS A 15 -1.722 -13.016 7.206 1.00 0.00 C ATOM 201 CE LYS A 15 -0.506 -12.217 7.652 1.00 0.00 C ATOM 202 NZ LYS A 15 0.061 -12.728 8.926 1.00 0.00 N ATOM 0 H LYS A 15 -2.908 -13.024 2.403 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.734 -12.403 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.080 -12.839 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.179 -11.606 5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.274 -14.371 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.551 -14.073 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.603 -12.374 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.908 -13.823 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.257 -12.255 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.785 -11.170 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.887 -12.155 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.658 -12.668 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.352 -13.719 8.804 1.00 0.00 H new ATOM 216 N PRO A 16 -3.777 -9.917 4.777 1.00 0.00 N ATOM 217 CA PRO A 16 -3.921 -8.487 4.511 1.00 0.00 C ATOM 218 C PRO A 16 -2.584 -7.760 4.605 1.00 0.00 C ATOM 219 O PRO A 16 -1.847 -7.905 5.584 1.00 0.00 O ATOM 220 CB PRO A 16 -4.883 -7.998 5.606 1.00 0.00 C ATOM 221 CG PRO A 16 -5.383 -9.229 6.289 1.00 0.00 C ATOM 222 CD PRO A 16 -4.328 -10.276 6.087 1.00 0.00 C ATOM 0 HA PRO A 16 -4.289 -8.294 3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.372 -7.341 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.706 -7.427 5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.551 -9.045 7.350 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.335 -9.549 5.867 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.570 -10.245 6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.748 -11.282 6.090 1.00 0.00 H new ATOM 230 N TYR A 17 -2.271 -6.995 3.578 1.00 0.00 N ATOM 231 CA TYR A 17 -1.021 -6.262 3.521 1.00 0.00 C ATOM 232 C TYR A 17 -1.279 -4.778 3.324 1.00 0.00 C ATOM 233 O TYR A 17 -2.241 -4.393 2.665 1.00 0.00 O ATOM 234 CB TYR A 17 -0.152 -6.783 2.378 1.00 0.00 C ATOM 235 CG TYR A 17 0.575 -8.061 2.710 1.00 0.00 C ATOM 236 CD1 TYR A 17 1.816 -8.033 3.327 1.00 0.00 C ATOM 237 CD2 TYR A 17 0.017 -9.295 2.414 1.00 0.00 C ATOM 238 CE1 TYR A 17 2.482 -9.200 3.637 1.00 0.00 C ATOM 239 CE2 TYR A 17 0.674 -10.467 2.723 1.00 0.00 C ATOM 240 CZ TYR A 17 1.907 -10.416 3.335 1.00 0.00 C ATOM 241 OH TYR A 17 2.567 -11.584 3.647 1.00 0.00 O ATOM 0 H TYR A 17 -2.872 -6.864 2.764 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.499 -6.409 4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.779 -6.948 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.577 -6.019 2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.268 -7.082 3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.949 -9.339 1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.450 -9.162 4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.224 -11.420 2.486 1.00 0.00 H new ATOM 0 HH TYR A 17 2.024 -12.351 3.368 1.00 0.00 H new ATOM 251 N CYS A 18 -0.425 -3.953 3.903 1.00 0.00 N ATOM 252 CA CYS A 18 -0.505 -2.522 3.691 1.00 0.00 C ATOM 253 C CYS A 18 0.471 -2.119 2.597 1.00 0.00 C ATOM 254 O CYS A 18 1.687 -2.225 2.768 1.00 0.00 O ATOM 255 CB CYS A 18 -0.194 -1.766 4.985 1.00 0.00 C ATOM 256 SG CYS A 18 -0.761 -0.031 4.993 1.00 0.00 S ATOM 0 H CYS A 18 0.329 -4.250 4.522 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.519 -2.264 3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.657 -2.292 5.820 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.883 -1.785 5.154 1.00 0.00 H new ATOM 261 N CYS A 19 -0.064 -1.681 1.467 1.00 0.00 N ATOM 262 CA CYS A 19 0.764 -1.245 0.354 1.00 0.00 C ATOM 263 C CYS A 19 0.389 0.173 -0.049 1.00 0.00 C ATOM 264 O CYS A 19 -0.753 0.588 0.130 1.00 0.00 O ATOM 265 CB CYS A 19 0.603 -2.196 -0.834 1.00 0.00 C ATOM 266 SG CYS A 19 0.560 -3.962 -0.377 1.00 0.00 S ATOM 0 H CYS A 19 -1.068 -1.618 1.297 1.00 0.00 H new ATOM 0 HA CYS A 19 1.808 -1.257 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.317 -1.946 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.425 -2.032 -1.530 1.00 0.00 H new ATOM 271 N GLN A 20 1.347 0.914 -0.591 1.00 0.00 N ATOM 272 CA GLN A 20 1.119 2.307 -0.954 1.00 0.00 C ATOM 273 C GLN A 20 0.405 2.405 -2.299 1.00 0.00 C ATOM 274 O GLN A 20 0.682 1.633 -3.220 1.00 0.00 O ATOM 275 CB GLN A 20 2.443 3.069 -1.002 1.00 0.00 C ATOM 276 CG GLN A 20 2.926 3.536 0.364 1.00 0.00 C ATOM 277 CD GLN A 20 3.850 2.534 1.029 1.00 0.00 C ATOM 278 OE1 GLN A 20 4.820 2.070 0.429 1.00 0.00 O ATOM 279 NE2 GLN A 20 3.559 2.190 2.274 1.00 0.00 N ATOM 0 H GLN A 20 2.288 0.574 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 20 0.483 2.758 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.205 2.430 -1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.331 3.935 -1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.446 4.488 0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.065 3.714 1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.747 2.596 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.147 1.519 2.769 1.00 0.00 H new ATOM 288 N SER A 21 -0.513 3.355 -2.403 1.00 0.00 N ATOM 289 CA SER A 21 -1.296 3.535 -3.615 1.00 0.00 C ATOM 290 C SER A 21 -0.744 4.676 -4.463 1.00 0.00 C ATOM 291 O SER A 21 -0.118 5.601 -3.945 1.00 0.00 O ATOM 292 CB SER A 21 -2.751 3.826 -3.252 1.00 0.00 C ATOM 293 OG SER A 21 -2.978 3.625 -1.864 1.00 0.00 O ATOM 0 H SER A 21 -0.734 4.016 -1.658 1.00 0.00 H new ATOM 0 HA SER A 21 -1.237 2.615 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.998 4.853 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.410 3.178 -3.830 1.00 0.00 H new ATOM 0 HG SER A 21 -3.349 2.729 -1.720 1.00 0.00 H new ATOM 299 N MET A 22 -0.992 4.613 -5.760 1.00 0.00 N ATOM 300 CA MET A 22 -0.570 5.663 -6.676 1.00 0.00 C ATOM 301 C MET A 22 -1.778 6.471 -7.123 1.00 0.00 C ATOM 302 O MET A 22 -1.967 6.746 -8.309 1.00 0.00 O ATOM 303 CB MET A 22 0.137 5.066 -7.886 1.00 0.00 C ATOM 304 CG MET A 22 1.490 5.694 -8.160 1.00 0.00 C ATOM 305 SD MET A 22 1.691 6.198 -9.883 1.00 0.00 S ATOM 306 CE MET A 22 2.379 4.705 -10.597 1.00 0.00 C ATOM 0 H MET A 22 -1.487 3.841 -6.206 1.00 0.00 H new ATOM 0 HA MET A 22 0.130 6.319 -6.158 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.266 3.995 -7.731 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.497 5.187 -8.765 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.620 6.563 -7.515 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.275 4.984 -7.900 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.559 4.860 -11.661 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.320 4.465 -10.101 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.678 3.881 -10.464 1.00 0.00 H new ATOM 316 N SER A 23 -2.590 6.839 -6.154 1.00 0.00 N ATOM 317 CA SER A 23 -3.838 7.541 -6.401 1.00 0.00 C ATOM 318 C SER A 23 -3.598 9.030 -6.644 1.00 0.00 C ATOM 319 O SER A 23 -3.881 9.867 -5.787 1.00 0.00 O ATOM 320 CB SER A 23 -4.778 7.341 -5.210 1.00 0.00 C ATOM 321 OG SER A 23 -4.154 6.566 -4.193 1.00 0.00 O ATOM 0 H SER A 23 -2.404 6.660 -5.167 1.00 0.00 H new ATOM 0 HA SER A 23 -4.296 7.130 -7.301 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.070 8.310 -4.806 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.691 6.846 -5.541 1.00 0.00 H new ATOM 0 HG SER A 23 -4.773 6.453 -3.442 1.00 0.00 H new ATOM 327 N GLY A 24 -3.060 9.348 -7.811 1.00 0.00 N ATOM 328 CA GLY A 24 -2.861 10.733 -8.181 1.00 0.00 C ATOM 329 C GLY A 24 -4.057 11.297 -8.919 1.00 0.00 C ATOM 330 O GLY A 24 -5.161 11.338 -8.372 1.00 0.00 O ATOM 0 H GLY A 24 -2.757 8.670 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.675 11.325 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.974 10.817 -8.809 1.00 0.00 H new ATOM 334 N PRO A 25 -3.874 11.723 -10.178 1.00 0.00 N ATOM 335 CA PRO A 25 -4.951 12.280 -11.001 1.00 0.00 C ATOM 336 C PRO A 25 -5.911 11.200 -11.500 1.00 0.00 C ATOM 337 O PRO A 25 -5.782 10.710 -12.624 1.00 0.00 O ATOM 338 CB PRO A 25 -4.211 12.930 -12.186 1.00 0.00 C ATOM 339 CG PRO A 25 -2.757 12.863 -11.847 1.00 0.00 C ATOM 340 CD PRO A 25 -2.601 11.708 -10.904 1.00 0.00 C ATOM 0 HA PRO A 25 -5.569 12.980 -10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.420 12.400 -13.115 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.532 13.962 -12.328 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.154 12.718 -12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.422 13.791 -11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.446 10.768 -11.434 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.750 11.841 -10.236 1.00 0.00 H new ATOM 348 N ALA A 26 -6.864 10.827 -10.657 1.00 0.00 N ATOM 349 CA ALA A 26 -7.835 9.803 -11.009 1.00 0.00 C ATOM 350 C ALA A 26 -8.864 10.340 -11.995 1.00 0.00 C ATOM 351 O ALA A 26 -9.183 11.530 -11.986 1.00 0.00 O ATOM 352 CB ALA A 26 -8.526 9.277 -9.764 1.00 0.00 C ATOM 0 H ALA A 26 -6.985 11.220 -9.723 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.300 8.983 -11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.249 8.512 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.785 8.846 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.041 10.095 -9.260 1.00 0.00 H new ATOM 358 N GLY A 27 -9.377 9.457 -12.841 1.00 0.00 N ATOM 359 CA GLY A 27 -10.363 9.857 -13.824 1.00 0.00 C ATOM 360 C GLY A 27 -9.721 10.296 -15.122 1.00 0.00 C ATOM 361 O GLY A 27 -10.338 11.000 -15.924 1.00 0.00 O ATOM 0 H GLY A 27 -9.127 8.468 -12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.041 9.025 -14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.965 10.672 -13.423 1.00 0.00 H new ATOM 365 N SER A 28 -8.481 9.876 -15.325 1.00 0.00 N ATOM 366 CA SER A 28 -7.731 10.230 -16.519 1.00 0.00 C ATOM 367 C SER A 28 -8.216 9.421 -17.723 1.00 0.00 C ATOM 368 O SER A 28 -8.055 8.202 -17.771 1.00 0.00 O ATOM 369 CB SER A 28 -6.243 9.988 -16.271 1.00 0.00 C ATOM 370 OG SER A 28 -6.029 9.456 -14.968 1.00 0.00 O ATOM 0 H SER A 28 -7.970 9.284 -14.671 1.00 0.00 H new ATOM 0 HA SER A 28 -7.891 11.285 -16.742 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.852 9.298 -17.019 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.694 10.923 -16.382 1.00 0.00 H new ATOM 0 HG SER A 28 -5.952 10.190 -14.324 1.00 0.00 H new ATOM 376 N PRO A 29 -8.817 10.096 -18.716 1.00 0.00 N ATOM 377 CA PRO A 29 -9.388 9.437 -19.891 1.00 0.00 C ATOM 378 C PRO A 29 -8.355 9.157 -20.978 1.00 0.00 C ATOM 379 O PRO A 29 -8.699 8.759 -22.090 1.00 0.00 O ATOM 380 CB PRO A 29 -10.419 10.451 -20.376 1.00 0.00 C ATOM 381 CG PRO A 29 -9.865 11.781 -19.985 1.00 0.00 C ATOM 382 CD PRO A 29 -8.999 11.560 -18.768 1.00 0.00 C ATOM 0 HA PRO A 29 -9.800 8.457 -19.652 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.561 10.384 -21.455 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.391 10.277 -19.915 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.282 12.210 -20.800 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.669 12.483 -19.764 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.044 12.077 -18.859 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.479 11.934 -17.864 1.00 0.00 H new ATOM 390 N GLY A 30 -7.093 9.365 -20.648 1.00 0.00 N ATOM 391 CA GLY A 30 -6.034 9.140 -21.609 1.00 0.00 C ATOM 392 C GLY A 30 -5.118 8.012 -21.192 1.00 0.00 C ATOM 393 O GLY A 30 -3.904 8.189 -21.097 1.00 0.00 O ATOM 0 H GLY A 30 -6.781 9.686 -19.732 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.470 8.912 -22.582 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.452 10.054 -21.727 1.00 0.00 H new ATOM 397 N LEU A 31 -5.700 6.851 -20.938 1.00 0.00 N ATOM 398 CA LEU A 31 -4.934 5.687 -20.521 1.00 0.00 C ATOM 399 C LEU A 31 -4.701 4.760 -21.702 1.00 0.00 C ATOM 400 O LEU A 31 -3.593 4.256 -21.905 1.00 0.00 O ATOM 401 CB LEU A 31 -5.673 4.938 -19.408 1.00 0.00 C ATOM 402 CG LEU A 31 -5.014 5.001 -18.031 1.00 0.00 C ATOM 403 CD1 LEU A 31 -6.000 4.581 -16.951 1.00 0.00 C ATOM 404 CD2 LEU A 31 -3.775 4.120 -17.996 1.00 0.00 C ATOM 0 H LEU A 31 -6.704 6.689 -21.014 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.970 6.024 -20.141 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.682 5.342 -19.329 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.770 3.892 -19.699 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.710 6.030 -17.838 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.515 4.631 -15.976 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.860 5.250 -16.963 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.332 3.560 -17.139 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.317 4.176 -17.009 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.056 3.088 -18.208 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.063 4.464 -18.746 1.00 0.00 H new ATOM 416 N LEU A 32 -5.760 4.553 -22.484 1.00 0.00 N ATOM 417 CA LEU A 32 -5.735 3.635 -23.618 1.00 0.00 C ATOM 418 C LEU A 32 -5.384 2.226 -23.148 1.00 0.00 C ATOM 419 O LEU A 32 -5.526 1.906 -21.964 1.00 0.00 O ATOM 420 CB LEU A 32 -4.745 4.118 -24.688 1.00 0.00 C ATOM 421 CG LEU A 32 -5.315 5.129 -25.687 1.00 0.00 C ATOM 422 CD1 LEU A 32 -5.033 6.550 -25.232 1.00 0.00 C ATOM 423 CD2 LEU A 32 -4.736 4.890 -27.070 1.00 0.00 C ATOM 0 H LEU A 32 -6.658 5.017 -22.348 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.728 3.611 -24.068 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.885 4.567 -24.190 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.378 3.252 -25.239 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.395 4.993 -25.734 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.446 7.253 -25.956 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.494 6.719 -24.259 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.956 6.700 -25.155 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.151 5.617 -27.769 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.652 4.999 -27.034 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.989 3.883 -27.401 1.00 0.00 H new ATOM 435 N ASN A 33 -4.961 1.383 -24.071 1.00 0.00 N ATOM 436 CA ASN A 33 -4.496 0.045 -23.735 1.00 0.00 C ATOM 437 C ASN A 33 -3.627 -0.497 -24.857 1.00 0.00 C ATOM 438 O ASN A 33 -3.962 -1.498 -25.496 1.00 0.00 O ATOM 439 CB ASN A 33 -5.665 -0.916 -23.454 1.00 0.00 C ATOM 440 CG ASN A 33 -6.906 -0.618 -24.273 1.00 0.00 C ATOM 441 OD1 ASN A 33 -7.897 -0.105 -23.751 1.00 0.00 O ATOM 442 ND2 ASN A 33 -6.876 -0.958 -25.549 1.00 0.00 N ATOM 0 H ASN A 33 -4.929 1.601 -25.067 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.907 0.117 -22.821 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.342 -1.937 -23.658 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.918 -0.867 -22.395 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.693 -0.798 -26.139 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.036 -1.381 -25.945 1.00 0.00 H new ATOM 449 N LEU A 34 -2.515 0.184 -25.104 1.00 0.00 N ATOM 450 CA LEU A 34 -1.580 -0.231 -26.136 1.00 0.00 C ATOM 451 C LEU A 34 -0.838 -1.486 -25.694 1.00 0.00 C ATOM 452 O LEU A 34 -0.921 -2.535 -26.333 1.00 0.00 O ATOM 453 CB LEU A 34 -0.584 0.891 -26.434 1.00 0.00 C ATOM 454 CG LEU A 34 -0.267 1.095 -27.915 1.00 0.00 C ATOM 455 CD1 LEU A 34 -0.974 2.330 -28.448 1.00 0.00 C ATOM 456 CD2 LEU A 34 1.233 1.207 -28.127 1.00 0.00 C ATOM 0 H LEU A 34 -2.240 1.028 -24.601 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.139 -0.452 -27.046 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.978 1.824 -26.030 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.345 0.682 -25.904 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.630 0.228 -28.467 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.736 2.458 -29.504 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.051 2.212 -28.331 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.643 3.207 -27.892 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.441 1.352 -29.187 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.618 2.056 -27.562 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.718 0.293 -27.784 1.00 0.00 H new ATOM 468 N ILE A 35 -0.115 -1.366 -24.594 1.00 0.00 N ATOM 469 CA ILE A 35 0.583 -2.494 -23.998 1.00 0.00 C ATOM 470 C ILE A 35 0.195 -2.598 -22.529 1.00 0.00 C ATOM 471 O ILE A 35 0.293 -1.616 -21.794 1.00 0.00 O ATOM 472 CB ILE A 35 2.119 -2.353 -24.115 1.00 0.00 C ATOM 473 CG1 ILE A 35 2.522 -2.039 -25.558 1.00 0.00 C ATOM 474 CG2 ILE A 35 2.811 -3.623 -23.637 1.00 0.00 C ATOM 475 CD1 ILE A 35 3.521 -0.911 -25.678 1.00 0.00 C ATOM 0 H ILE A 35 0.005 -0.488 -24.090 1.00 0.00 H new ATOM 0 HA ILE A 35 0.292 -3.395 -24.538 1.00 0.00 H new ATOM 0 HB ILE A 35 2.435 -1.526 -23.479 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.944 -2.936 -26.011 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.629 -1.784 -26.128 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.891 -3.505 -23.727 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.552 -3.808 -22.595 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.486 -4.466 -24.247 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.759 -0.746 -26.729 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.095 -0.001 -25.255 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.431 -1.171 -25.137 1.00 0.00 H new ATOM 487 N PRO A 36 -0.282 -3.772 -22.090 1.00 0.00 N ATOM 488 CA PRO A 36 -0.690 -3.984 -20.699 1.00 0.00 C ATOM 489 C PRO A 36 0.447 -3.718 -19.716 1.00 0.00 C ATOM 490 O PRO A 36 1.526 -4.306 -19.816 1.00 0.00 O ATOM 491 CB PRO A 36 -1.103 -5.463 -20.655 1.00 0.00 C ATOM 492 CG PRO A 36 -0.519 -6.075 -21.886 1.00 0.00 C ATOM 493 CD PRO A 36 -0.466 -4.979 -22.908 1.00 0.00 C ATOM 0 HA PRO A 36 -1.489 -3.303 -20.406 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.724 -5.950 -19.756 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.188 -5.568 -20.641 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.476 -6.473 -21.689 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.131 -6.906 -22.237 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.357 -5.121 -23.609 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.382 -4.932 -23.497 1.00 0.00 H new ATOM 501 N VAL A 37 0.202 -2.821 -18.771 1.00 0.00 N ATOM 502 CA VAL A 37 1.189 -2.498 -17.753 1.00 0.00 C ATOM 503 C VAL A 37 0.749 -3.061 -16.410 1.00 0.00 C ATOM 504 O VAL A 37 -0.088 -2.475 -15.719 1.00 0.00 O ATOM 505 CB VAL A 37 1.411 -0.976 -17.618 1.00 0.00 C ATOM 506 CG1 VAL A 37 2.710 -0.692 -16.878 1.00 0.00 C ATOM 507 CG2 VAL A 37 1.409 -0.302 -18.984 1.00 0.00 C ATOM 0 H VAL A 37 -0.673 -2.304 -18.689 1.00 0.00 H new ATOM 0 HA VAL A 37 2.132 -2.948 -18.062 1.00 0.00 H new ATOM 0 HB VAL A 37 0.586 -0.561 -17.039 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.851 0.385 -16.791 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.666 -1.133 -15.882 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.545 -1.124 -17.429 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.567 0.769 -18.861 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.208 -0.719 -19.597 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.450 -0.473 -19.473 1.00 0.00 H new ATOM 517 N ASP A 38 1.306 -4.207 -16.052 1.00 0.00 N ATOM 518 CA ASP A 38 0.938 -4.884 -14.817 1.00 0.00 C ATOM 519 C ASP A 38 1.992 -4.665 -13.742 1.00 0.00 C ATOM 520 O ASP A 38 3.189 -4.620 -14.034 1.00 0.00 O ATOM 521 CB ASP A 38 0.757 -6.384 -15.059 1.00 0.00 C ATOM 522 CG ASP A 38 0.295 -7.110 -13.813 1.00 0.00 C ATOM 523 OD1 ASP A 38 -0.924 -7.121 -13.551 1.00 0.00 O ATOM 524 OD2 ASP A 38 1.144 -7.655 -13.080 1.00 0.00 O ATOM 0 H ASP A 38 2.017 -4.690 -16.601 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.006 -4.460 -14.475 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.031 -6.537 -15.857 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.700 -6.812 -15.399 1.00 0.00 H new ATOM 529 N LEU A 39 1.540 -4.516 -12.507 1.00 0.00 N ATOM 530 CA LEU A 39 2.432 -4.385 -11.365 1.00 0.00 C ATOM 531 C LEU A 39 1.899 -5.217 -10.205 1.00 0.00 C ATOM 532 O LEU A 39 2.022 -4.842 -9.039 1.00 0.00 O ATOM 533 CB LEU A 39 2.551 -2.916 -10.953 1.00 0.00 C ATOM 534 CG LEU A 39 3.958 -2.324 -11.061 1.00 0.00 C ATOM 535 CD1 LEU A 39 4.152 -1.643 -12.407 1.00 0.00 C ATOM 536 CD2 LEU A 39 4.210 -1.344 -9.927 1.00 0.00 C ATOM 0 H LEU A 39 0.549 -4.482 -12.268 1.00 0.00 H new ATOM 0 HA LEU A 39 3.423 -4.747 -11.640 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.876 -2.325 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.209 -2.815 -9.923 1.00 0.00 H new ATOM 0 HG LEU A 39 4.679 -3.137 -10.982 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.159 -1.229 -12.463 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.014 -2.371 -13.206 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.423 -0.840 -12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.215 -0.932 -10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.481 -0.535 -9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.115 -1.861 -8.972 1.00 0.00 H new ATOM 548 N SER A 40 1.295 -6.350 -10.539 1.00 0.00 N ATOM 549 CA SER A 40 0.627 -7.177 -9.544 1.00 0.00 C ATOM 550 C SER A 40 1.470 -8.392 -9.166 1.00 0.00 C ATOM 551 O SER A 40 1.152 -9.096 -8.211 1.00 0.00 O ATOM 552 CB SER A 40 -0.732 -7.625 -10.081 1.00 0.00 C ATOM 553 OG SER A 40 -1.257 -6.672 -10.995 1.00 0.00 O ATOM 0 H SER A 40 1.254 -6.717 -11.490 1.00 0.00 H new ATOM 0 HA SER A 40 0.487 -6.580 -8.643 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.631 -8.591 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.427 -7.762 -9.253 1.00 0.00 H new ATOM 0 HG SER A 40 -1.401 -7.098 -11.866 1.00 0.00 H new ATOM 559 N ALA A 41 2.548 -8.622 -9.905 1.00 0.00 N ATOM 560 CA ALA A 41 3.411 -9.772 -9.656 1.00 0.00 C ATOM 561 C ALA A 41 4.634 -9.367 -8.842 1.00 0.00 C ATOM 562 O ALA A 41 5.590 -10.131 -8.701 1.00 0.00 O ATOM 563 CB ALA A 41 3.831 -10.416 -10.968 1.00 0.00 C ATOM 0 H ALA A 41 2.846 -8.030 -10.680 1.00 0.00 H new ATOM 0 HA ALA A 41 2.846 -10.503 -9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.474 -11.272 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.946 -10.749 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.375 -9.690 -11.572 1.00 0.00 H new ATOM 569 N SER A 42 4.595 -8.153 -8.319 1.00 0.00 N ATOM 570 CA SER A 42 5.673 -7.626 -7.496 1.00 0.00 C ATOM 571 C SER A 42 5.100 -6.792 -6.360 1.00 0.00 C ATOM 572 O SER A 42 4.599 -5.690 -6.586 1.00 0.00 O ATOM 573 CB SER A 42 6.615 -6.764 -8.339 1.00 0.00 C ATOM 574 OG SER A 42 6.780 -7.305 -9.641 1.00 0.00 O ATOM 0 H SER A 42 3.818 -7.506 -8.452 1.00 0.00 H new ATOM 0 HA SER A 42 6.234 -8.464 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.219 -5.751 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.585 -6.692 -7.847 1.00 0.00 H new ATOM 0 HG SER A 42 7.385 -6.734 -10.158 1.00 0.00 H new ATOM 580 N LEU A 43 5.154 -7.317 -5.146 1.00 0.00 N ATOM 581 CA LEU A 43 4.597 -6.611 -4.006 1.00 0.00 C ATOM 582 C LEU A 43 5.609 -6.511 -2.877 1.00 0.00 C ATOM 583 O LEU A 43 6.161 -7.511 -2.420 1.00 0.00 O ATOM 584 CB LEU A 43 3.316 -7.302 -3.519 1.00 0.00 C ATOM 585 CG LEU A 43 2.011 -6.636 -3.973 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.096 -5.127 -3.825 1.00 0.00 C ATOM 587 CD2 LEU A 43 1.692 -7.005 -5.414 1.00 0.00 C ATOM 0 H LEU A 43 5.574 -8.220 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 43 4.347 -5.599 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.321 -8.334 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.330 -7.335 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 43 1.207 -7.002 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.159 -4.676 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.275 -4.873 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.915 -4.747 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.763 -6.522 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.502 -6.671 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.583 -8.086 -5.497 1.00 0.00 H new ATOM 599 N GLY A 44 5.864 -5.289 -2.450 1.00 0.00 N ATOM 600 CA GLY A 44 6.727 -5.062 -1.317 1.00 0.00 C ATOM 601 C GLY A 44 5.962 -4.403 -0.194 1.00 0.00 C ATOM 602 O GLY A 44 5.980 -3.181 -0.054 1.00 0.00 O ATOM 0 H GLY A 44 5.484 -4.442 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.144 -6.009 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.566 -4.432 -1.612 1.00 0.00 H new ATOM 606 N CYS A 45 5.276 -5.210 0.600 1.00 0.00 N ATOM 607 CA CYS A 45 4.379 -4.688 1.617 1.00 0.00 C ATOM 608 C CYS A 45 4.675 -5.272 2.985 1.00 0.00 C ATOM 609 O CYS A 45 5.498 -6.174 3.129 1.00 0.00 O ATOM 610 CB CYS A 45 2.928 -4.983 1.233 1.00 0.00 C ATOM 611 SG CYS A 45 2.506 -4.530 -0.483 1.00 0.00 S ATOM 0 H CYS A 45 5.324 -6.228 0.559 1.00 0.00 H new ATOM 0 HA CYS A 45 4.535 -3.611 1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.735 -6.046 1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.267 -4.445 1.913 1.00 0.00 H new ATOM 616 N VAL A 46 3.995 -4.739 3.984 1.00 0.00 N ATOM 617 CA VAL A 46 4.107 -5.232 5.342 1.00 0.00 C ATOM 618 C VAL A 46 2.752 -5.727 5.819 1.00 0.00 C ATOM 619 O VAL A 46 1.716 -5.340 5.269 1.00 0.00 O ATOM 620 CB VAL A 46 4.627 -4.146 6.308 1.00 0.00 C ATOM 621 CG1 VAL A 46 6.148 -4.098 6.289 1.00 0.00 C ATOM 622 CG2 VAL A 46 4.042 -2.783 5.961 1.00 0.00 C ATOM 0 H VAL A 46 3.352 -3.955 3.876 1.00 0.00 H new ATOM 0 HA VAL A 46 4.827 -6.050 5.339 1.00 0.00 H new ATOM 0 HB VAL A 46 4.303 -4.405 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.496 -3.327 6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.546 -5.065 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.492 -3.868 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.424 -2.035 6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.328 -2.513 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.955 -2.824 6.034 1.00 0.00 H new ATOM 632 N VAL A 47 2.763 -6.580 6.830 1.00 0.00 N ATOM 633 CA VAL A 47 1.541 -7.202 7.319 1.00 0.00 C ATOM 634 C VAL A 47 0.586 -6.158 7.891 1.00 0.00 C ATOM 635 O VAL A 47 0.977 -5.330 8.713 1.00 0.00 O ATOM 636 CB VAL A 47 1.840 -8.262 8.396 1.00 0.00 C ATOM 637 CG1 VAL A 47 0.576 -9.021 8.766 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.923 -9.219 7.919 1.00 0.00 C ATOM 0 H VAL A 47 3.607 -6.859 7.330 1.00 0.00 H new ATOM 0 HA VAL A 47 1.070 -7.691 6.466 1.00 0.00 H new ATOM 0 HB VAL A 47 2.204 -7.752 9.288 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.808 -9.765 9.528 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.167 -8.324 9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.179 -9.519 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.120 -9.960 8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.590 -9.722 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.836 -8.661 7.710 1.00 0.00 H new ATOM 648 N GLY A 48 -0.657 -6.198 7.437 1.00 0.00 N ATOM 649 CA GLY A 48 -1.652 -5.271 7.922 1.00 0.00 C ATOM 650 C GLY A 48 -2.099 -5.601 9.327 1.00 0.00 C ATOM 651 O GLY A 48 -2.384 -6.761 9.645 1.00 0.00 O ATOM 0 H GLY A 48 -0.994 -6.860 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.246 -4.260 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.514 -5.284 7.255 1.00 0.00 H new ATOM 655 N VAL A 49 -2.145 -4.588 10.172 1.00 0.00 N ATOM 656 CA VAL A 49 -2.552 -4.770 11.552 1.00 0.00 C ATOM 657 C VAL A 49 -4.061 -4.643 11.684 1.00 0.00 C ATOM 658 O VAL A 49 -4.630 -3.578 11.439 1.00 0.00 O ATOM 659 CB VAL A 49 -1.872 -3.756 12.493 1.00 0.00 C ATOM 660 CG1 VAL A 49 -1.905 -4.257 13.930 1.00 0.00 C ATOM 661 CG2 VAL A 49 -0.444 -3.476 12.047 1.00 0.00 C ATOM 0 H VAL A 49 -1.905 -3.628 9.925 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.239 -5.772 11.846 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.427 -2.819 12.446 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.421 -3.529 14.580 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.940 -4.393 14.244 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.378 -5.209 13.996 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.015 -2.758 12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.129 -4.403 12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.452 -3.066 11.037 1.00 0.00 H new ATOM 671 N ILE A 50 -4.706 -5.742 12.048 1.00 0.00 N ATOM 672 CA ILE A 50 -6.145 -5.749 12.248 1.00 0.00 C ATOM 673 C ILE A 50 -6.518 -4.842 13.414 1.00 0.00 C ATOM 674 O ILE A 50 -6.092 -5.064 14.549 1.00 0.00 O ATOM 675 CB ILE A 50 -6.670 -7.178 12.499 1.00 0.00 C ATOM 676 CG1 ILE A 50 -6.621 -7.985 11.201 1.00 0.00 C ATOM 677 CG2 ILE A 50 -8.087 -7.149 13.056 1.00 0.00 C ATOM 678 CD1 ILE A 50 -5.747 -9.217 11.280 1.00 0.00 C ATOM 0 H ILE A 50 -4.253 -6.641 12.211 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.612 -5.373 11.338 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.030 -7.657 13.240 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.634 -8.286 10.933 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.256 -7.343 10.399 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.433 -8.169 13.224 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.096 -6.603 13.999 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.748 -6.654 12.344 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.763 -9.737 10.322 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.724 -8.923 11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.123 -9.880 12.059 1.00 0.00 H new ATOM 690 N GLY A 51 -7.297 -3.813 13.122 1.00 0.00 N ATOM 691 CA GLY A 51 -7.668 -2.849 14.135 1.00 0.00 C ATOM 692 C GLY A 51 -6.973 -1.521 13.926 1.00 0.00 C ATOM 693 O GLY A 51 -7.357 -0.507 14.512 1.00 0.00 O ATOM 0 H GLY A 51 -7.681 -3.628 12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.748 -2.701 14.118 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.415 -3.241 15.120 1.00 0.00 H new ATOM 697 N SER A 52 -5.945 -1.531 13.089 1.00 0.00 N ATOM 698 CA SER A 52 -5.214 -0.322 12.765 1.00 0.00 C ATOM 699 C SER A 52 -5.625 0.187 11.387 1.00 0.00 C ATOM 700 O SER A 52 -6.236 -0.544 10.599 1.00 0.00 O ATOM 701 CB SER A 52 -3.712 -0.592 12.818 1.00 0.00 C ATOM 702 OG SER A 52 -3.329 -1.060 14.102 1.00 0.00 O ATOM 0 H SER A 52 -5.600 -2.369 12.622 1.00 0.00 H new ATOM 0 HA SER A 52 -5.453 0.448 13.499 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.444 -1.330 12.062 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.165 0.321 12.581 1.00 0.00 H new ATOM 0 HG SER A 52 -2.364 -1.229 14.114 1.00 0.00 H new ATOM 708 N GLN A 53 -5.288 1.433 11.093 1.00 0.00 N ATOM 709 CA GLN A 53 -5.685 2.047 9.838 1.00 0.00 C ATOM 710 C GLN A 53 -4.486 2.222 8.921 1.00 0.00 C ATOM 711 O GLN A 53 -3.357 2.402 9.378 1.00 0.00 O ATOM 712 CB GLN A 53 -6.353 3.403 10.087 1.00 0.00 C ATOM 713 CG GLN A 53 -5.580 4.304 11.037 1.00 0.00 C ATOM 714 CD GLN A 53 -6.112 5.720 11.059 1.00 0.00 C ATOM 715 OE1 GLN A 53 -5.386 6.674 10.776 1.00 0.00 O ATOM 716 NE2 GLN A 53 -7.383 5.866 11.390 1.00 0.00 N ATOM 0 H GLN A 53 -4.741 2.037 11.706 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.403 1.385 9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.476 3.917 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.352 3.237 10.491 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.624 3.888 12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.530 4.319 10.744 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.948 5.048 11.617 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.799 6.797 11.418 1.00 0.00 H new ATOM 725 N CYS A 54 -4.733 2.152 7.626 1.00 0.00 N ATOM 726 CA CYS A 54 -3.694 2.368 6.637 1.00 0.00 C ATOM 727 C CYS A 54 -4.076 3.509 5.705 1.00 0.00 C ATOM 728 O CYS A 54 -5.118 3.461 5.046 1.00 0.00 O ATOM 729 CB CYS A 54 -3.452 1.090 5.828 1.00 0.00 C ATOM 730 SG CYS A 54 -2.126 0.031 6.493 1.00 0.00 S ATOM 0 H CYS A 54 -5.651 1.946 7.233 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.774 2.633 7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.377 0.515 5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.205 1.363 4.802 1.00 0.00 H new ATOM 735 N GLY A 55 -3.243 4.541 5.667 1.00 0.00 N ATOM 736 CA GLY A 55 -3.444 5.637 4.732 1.00 0.00 C ATOM 737 C GLY A 55 -2.931 5.289 3.347 1.00 0.00 C ATOM 738 O GLY A 55 -2.206 6.067 2.724 1.00 0.00 O ATOM 0 H GLY A 55 -2.426 4.641 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.505 5.880 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.932 6.527 5.098 1.00 0.00 H new ATOM 742 N ALA A 56 -3.317 4.114 2.875 1.00 0.00 N ATOM 743 CA ALA A 56 -2.848 3.593 1.605 1.00 0.00 C ATOM 744 C ALA A 56 -3.826 2.543 1.082 1.00 0.00 C ATOM 745 O ALA A 56 -5.036 2.762 1.100 1.00 0.00 O ATOM 746 CB ALA A 56 -1.450 3.014 1.769 1.00 0.00 C ATOM 0 H ALA A 56 -3.965 3.496 3.364 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.797 4.401 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.103 2.624 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.771 3.795 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.474 2.208 2.502 1.00 0.00 H new ATOM 752 N SER A 57 -3.317 1.411 0.621 1.00 0.00 N ATOM 753 CA SER A 57 -4.176 0.339 0.145 1.00 0.00 C ATOM 754 C SER A 57 -4.068 -0.884 1.042 1.00 0.00 C ATOM 755 O SER A 57 -3.001 -1.182 1.581 1.00 0.00 O ATOM 756 CB SER A 57 -3.806 -0.059 -1.286 1.00 0.00 C ATOM 757 OG SER A 57 -3.219 1.018 -1.995 1.00 0.00 O ATOM 0 H SER A 57 -2.318 1.212 0.567 1.00 0.00 H new ATOM 0 HA SER A 57 -5.201 0.710 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.113 -0.900 -1.262 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.699 -0.397 -1.812 1.00 0.00 H new ATOM 0 HG SER A 57 -2.995 0.728 -2.904 1.00 0.00 H new ATOM 763 N VAL A 58 -5.181 -1.581 1.202 1.00 0.00 N ATOM 764 CA VAL A 58 -5.188 -2.854 1.894 1.00 0.00 C ATOM 765 C VAL A 58 -5.268 -3.969 0.868 1.00 0.00 C ATOM 766 O VAL A 58 -6.292 -4.149 0.207 1.00 0.00 O ATOM 767 CB VAL A 58 -6.368 -2.975 2.878 1.00 0.00 C ATOM 768 CG1 VAL A 58 -6.239 -4.235 3.720 1.00 0.00 C ATOM 769 CG2 VAL A 58 -6.449 -1.746 3.769 1.00 0.00 C ATOM 0 H VAL A 58 -6.094 -1.283 0.859 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.269 -2.928 2.476 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.289 -3.043 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.082 -4.301 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.233 -5.109 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.309 -4.199 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.288 -1.850 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.524 -1.647 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.593 -0.859 3.153 1.00 0.00 H new ATOM 779 N LYS A 59 -4.179 -4.696 0.717 1.00 0.00 N ATOM 780 CA LYS A 59 -4.082 -5.713 -0.308 1.00 0.00 C ATOM 781 C LYS A 59 -4.209 -7.107 0.289 1.00 0.00 C ATOM 782 O LYS A 59 -3.946 -7.313 1.472 1.00 0.00 O ATOM 783 CB LYS A 59 -2.751 -5.587 -1.049 1.00 0.00 C ATOM 784 CG LYS A 59 -2.872 -5.852 -2.536 1.00 0.00 C ATOM 785 CD LYS A 59 -1.605 -5.486 -3.287 1.00 0.00 C ATOM 786 CE LYS A 59 -1.906 -4.552 -4.449 1.00 0.00 C ATOM 787 NZ LYS A 59 -1.394 -5.080 -5.742 1.00 0.00 N ATOM 0 H LYS A 59 -3.345 -4.599 1.296 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.903 -5.564 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.350 -4.585 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.034 -6.286 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.097 -6.906 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.709 -5.281 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.900 -5.009 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.125 -6.391 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.983 -4.400 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.459 -3.577 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.002 -4.747 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.422 -4.743 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.400 -6.120 -5.719 1.00 0.00 H new ATOM 801 N CYS A 60 -4.614 -8.056 -0.538 1.00 0.00 N ATOM 802 CA CYS A 60 -4.706 -9.444 -0.126 1.00 0.00 C ATOM 803 C CYS A 60 -3.726 -10.270 -0.940 1.00 0.00 C ATOM 804 O CYS A 60 -3.946 -10.525 -2.125 1.00 0.00 O ATOM 805 CB CYS A 60 -6.131 -9.971 -0.308 1.00 0.00 C ATOM 806 SG CYS A 60 -7.416 -8.677 -0.346 1.00 0.00 S ATOM 0 H CYS A 60 -4.886 -7.887 -1.506 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.455 -9.521 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.179 -10.540 -1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.355 -10.664 0.503 1.00 0.00 H new ATOM 811 N CYS A 61 -2.632 -10.665 -0.315 1.00 0.00 N ATOM 812 CA CYS A 61 -1.592 -11.386 -1.017 1.00 0.00 C ATOM 813 C CYS A 61 -1.293 -12.710 -0.336 1.00 0.00 C ATOM 814 O CYS A 61 -1.256 -12.802 0.893 1.00 0.00 O ATOM 815 CB CYS A 61 -0.321 -10.537 -1.111 1.00 0.00 C ATOM 816 SG CYS A 61 0.499 -10.608 -2.736 1.00 0.00 S ATOM 0 H CYS A 61 -2.443 -10.499 0.673 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.948 -11.595 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.572 -9.500 -0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.382 -10.867 -0.346 1.00 0.00 H new ATOM 821 N LYS A 62 -1.122 -13.737 -1.148 1.00 0.00 N ATOM 822 CA LYS A 62 -0.736 -15.046 -0.674 1.00 0.00 C ATOM 823 C LYS A 62 0.593 -15.443 -1.296 1.00 0.00 C ATOM 824 O LYS A 62 0.749 -15.444 -2.525 1.00 0.00 O ATOM 825 CB LYS A 62 -1.808 -16.086 -1.004 1.00 0.00 C ATOM 826 CG LYS A 62 -1.556 -17.446 -0.373 1.00 0.00 C ATOM 827 CD LYS A 62 -1.508 -17.361 1.144 1.00 0.00 C ATOM 828 CE LYS A 62 -0.181 -17.861 1.687 1.00 0.00 C ATOM 829 NZ LYS A 62 -0.323 -19.144 2.423 1.00 0.00 N ATOM 0 H LYS A 62 -1.248 -13.683 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.629 -15.006 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.777 -15.714 -0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.867 -16.203 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.342 -18.138 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.615 -17.851 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.665 -16.329 1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.321 -17.950 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.520 -17.993 0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.245 -17.109 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.432 -19.222 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.248 -19.172 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.252 -19.937 1.754 1.00 0.00 H new ATOM 843 N ASP A 63 1.539 -15.744 -0.430 1.00 0.00 N ATOM 844 CA ASP A 63 2.868 -16.191 -0.825 1.00 0.00 C ATOM 845 C ASP A 63 3.681 -16.477 0.429 1.00 0.00 C ATOM 846 O ASP A 63 3.379 -15.938 1.496 1.00 0.00 O ATOM 847 CB ASP A 63 3.572 -15.126 -1.672 1.00 0.00 C ATOM 848 CG ASP A 63 5.002 -15.497 -2.014 1.00 0.00 C ATOM 849 OD1 ASP A 63 5.220 -16.581 -2.592 1.00 0.00 O ATOM 850 OD2 ASP A 63 5.910 -14.701 -1.712 1.00 0.00 O ATOM 0 H ASP A 63 1.410 -15.686 0.580 1.00 0.00 H new ATOM 0 HA ASP A 63 2.778 -17.095 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.011 -14.972 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.566 -14.178 -1.134 1.00 0.00 H new ATOM 855 N ASP A 64 4.686 -17.326 0.316 1.00 0.00 N ATOM 856 CA ASP A 64 5.552 -17.608 1.446 1.00 0.00 C ATOM 857 C ASP A 64 6.586 -16.500 1.586 1.00 0.00 C ATOM 858 O ASP A 64 7.623 -16.511 0.917 1.00 0.00 O ATOM 859 CB ASP A 64 6.230 -18.969 1.289 1.00 0.00 C ATOM 860 CG ASP A 64 5.759 -19.964 2.332 1.00 0.00 C ATOM 861 OD1 ASP A 64 4.541 -20.241 2.388 1.00 0.00 O ATOM 862 OD2 ASP A 64 6.598 -20.474 3.103 1.00 0.00 O ATOM 0 H ASP A 64 4.922 -17.829 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 64 4.948 -17.645 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.025 -19.363 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.310 -18.847 1.367 1.00 0.00 H new ATOM 867 N VAL A 65 6.263 -15.524 2.433 1.00 0.00 N ATOM 868 CA VAL A 65 7.109 -14.352 2.642 1.00 0.00 C ATOM 869 C VAL A 65 8.541 -14.750 2.965 1.00 0.00 C ATOM 870 O VAL A 65 8.791 -15.537 3.879 1.00 0.00 O ATOM 871 CB VAL A 65 6.581 -13.450 3.778 1.00 0.00 C ATOM 872 CG1 VAL A 65 5.912 -12.209 3.205 1.00 0.00 C ATOM 873 CG2 VAL A 65 5.624 -14.214 4.685 1.00 0.00 C ATOM 0 H VAL A 65 5.410 -15.524 2.992 1.00 0.00 H new ATOM 0 HA VAL A 65 7.086 -13.794 1.706 1.00 0.00 H new ATOM 0 HB VAL A 65 7.430 -13.134 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.546 -11.584 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.634 -11.647 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.076 -12.506 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.268 -13.554 5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.776 -14.571 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.143 -15.064 5.128 1.00 0.00 H new ATOM 883 N THR A 66 9.471 -14.206 2.205 1.00 0.00 N ATOM 884 CA THR A 66 10.868 -14.535 2.377 1.00 0.00 C ATOM 885 C THR A 66 11.633 -13.368 3.001 1.00 0.00 C ATOM 886 O THR A 66 11.416 -12.208 2.645 1.00 0.00 O ATOM 887 CB THR A 66 11.501 -14.917 1.028 1.00 0.00 C ATOM 888 OG1 THR A 66 10.474 -15.024 0.031 1.00 0.00 O ATOM 889 CG2 THR A 66 12.241 -16.239 1.143 1.00 0.00 C ATOM 0 H THR A 66 9.282 -13.533 1.462 1.00 0.00 H new ATOM 0 HA THR A 66 10.931 -15.388 3.052 1.00 0.00 H new ATOM 0 HB THR A 66 12.213 -14.143 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.877 -15.266 -0.829 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.683 -16.494 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.029 -16.151 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.543 -17.022 1.441 1.00 0.00 H new ATOM 897 N ASN A 67 12.506 -13.683 3.947 1.00 0.00 N ATOM 898 CA ASN A 67 13.317 -12.671 4.609 1.00 0.00 C ATOM 899 C ASN A 67 14.650 -12.517 3.892 1.00 0.00 C ATOM 900 O ASN A 67 15.264 -11.448 3.897 1.00 0.00 O ATOM 901 CB ASN A 67 13.523 -13.042 6.089 1.00 0.00 C ATOM 902 CG ASN A 67 14.986 -13.149 6.493 1.00 0.00 C ATOM 903 OD1 ASN A 67 15.628 -12.146 6.817 1.00 0.00 O ATOM 904 ND2 ASN A 67 15.521 -14.363 6.481 1.00 0.00 N ATOM 0 H ASN A 67 12.671 -14.635 4.274 1.00 0.00 H new ATOM 0 HA ASN A 67 12.797 -11.714 4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.036 -12.293 6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.029 -13.993 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.497 -14.493 6.746 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.956 -15.167 6.207 1.00 0.00 H new ATOM 911 N THR A 68 15.069 -13.586 3.250 1.00 0.00 N ATOM 912 CA THR A 68 16.331 -13.612 2.540 1.00 0.00 C ATOM 913 C THR A 68 16.201 -12.924 1.185 1.00 0.00 C ATOM 914 O THR A 68 15.912 -13.569 0.173 1.00 0.00 O ATOM 915 CB THR A 68 16.801 -15.061 2.341 1.00 0.00 C ATOM 916 OG1 THR A 68 15.695 -15.957 2.553 1.00 0.00 O ATOM 917 CG2 THR A 68 17.931 -15.400 3.300 1.00 0.00 C ATOM 0 H THR A 68 14.546 -14.461 3.205 1.00 0.00 H new ATOM 0 HA THR A 68 17.068 -13.075 3.137 1.00 0.00 H new ATOM 0 HB THR A 68 17.173 -15.171 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.994 -16.881 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 68 18.247 -16.431 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 68 18.773 -14.731 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 68 17.585 -15.282 4.327 1.00 0.00 H new ATOM 925 N GLY A 69 16.382 -11.610 1.178 1.00 0.00 N ATOM 926 CA GLY A 69 16.312 -10.860 -0.060 1.00 0.00 C ATOM 927 C GLY A 69 16.194 -9.371 0.172 1.00 0.00 C ATOM 928 O GLY A 69 16.887 -8.581 -0.467 1.00 0.00 O ATOM 0 H GLY A 69 16.576 -11.050 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.203 -11.062 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.456 -11.203 -0.641 1.00 0.00 H new ATOM 932 N ASN A 70 15.325 -8.982 1.092 1.00 0.00 N ATOM 933 CA ASN A 70 15.113 -7.572 1.386 1.00 0.00 C ATOM 934 C ASN A 70 15.076 -7.333 2.889 1.00 0.00 C ATOM 935 O ASN A 70 15.022 -8.281 3.675 1.00 0.00 O ATOM 936 CB ASN A 70 13.819 -7.071 0.735 1.00 0.00 C ATOM 937 CG ASN A 70 13.959 -5.668 0.170 1.00 0.00 C ATOM 938 OD1 ASN A 70 14.038 -4.688 0.912 1.00 0.00 O ATOM 939 ND2 ASN A 70 13.984 -5.562 -1.150 1.00 0.00 N ATOM 0 H ASN A 70 14.756 -9.621 1.647 1.00 0.00 H new ATOM 0 HA ASN A 70 15.949 -7.011 0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.530 -7.754 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.016 -7.084 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.071 -4.644 -1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.916 -6.398 -1.730 1.00 0.00 H new ATOM 946 N SER A 71 15.104 -6.066 3.280 1.00 0.00 N ATOM 947 CA SER A 71 15.119 -5.687 4.686 1.00 0.00 C ATOM 948 C SER A 71 13.779 -5.981 5.357 1.00 0.00 C ATOM 949 O SER A 71 13.691 -6.062 6.585 1.00 0.00 O ATOM 950 CB SER A 71 15.458 -4.204 4.804 1.00 0.00 C ATOM 951 OG SER A 71 15.867 -3.680 3.548 1.00 0.00 O ATOM 0 H SER A 71 15.117 -5.276 2.635 1.00 0.00 H new ATOM 0 HA SER A 71 15.878 -6.279 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.589 -3.655 5.167 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.252 -4.065 5.538 1.00 0.00 H new ATOM 0 HG SER A 71 15.079 -3.389 3.043 1.00 0.00 H new ATOM 957 N PHE A 72 12.742 -6.134 4.551 1.00 0.00 N ATOM 958 CA PHE A 72 11.419 -6.467 5.052 1.00 0.00 C ATOM 959 C PHE A 72 10.913 -7.732 4.373 1.00 0.00 C ATOM 960 O PHE A 72 11.512 -8.205 3.404 1.00 0.00 O ATOM 961 CB PHE A 72 10.439 -5.306 4.823 1.00 0.00 C ATOM 962 CG PHE A 72 10.118 -5.046 3.377 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.991 -4.333 2.568 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.941 -5.518 2.827 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.690 -4.096 1.241 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.634 -5.285 1.503 1.00 0.00 C ATOM 967 CZ PHE A 72 9.511 -4.576 0.706 1.00 0.00 C ATOM 0 H PHE A 72 12.792 -6.032 3.537 1.00 0.00 H new ATOM 0 HA PHE A 72 11.487 -6.643 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.512 -5.517 5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.859 -4.400 5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.916 -3.959 2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.252 -6.077 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.376 -3.536 0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.708 -5.657 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.275 -4.397 -0.333 1.00 0.00 H new ATOM 977 N LEU A 73 9.823 -8.277 4.890 1.00 0.00 N ATOM 978 CA LEU A 73 9.219 -9.474 4.323 1.00 0.00 C ATOM 979 C LEU A 73 8.678 -9.190 2.923 1.00 0.00 C ATOM 980 O LEU A 73 7.649 -8.535 2.765 1.00 0.00 O ATOM 981 CB LEU A 73 8.091 -9.986 5.230 1.00 0.00 C ATOM 982 CG LEU A 73 7.345 -8.904 6.019 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.892 -8.815 5.571 1.00 0.00 C ATOM 984 CD2 LEU A 73 7.426 -9.184 7.514 1.00 0.00 C ATOM 0 H LEU A 73 9.336 -7.907 5.706 1.00 0.00 H new ATOM 0 HA LEU A 73 9.988 -10.243 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.371 -10.527 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.511 -10.703 5.936 1.00 0.00 H new ATOM 0 HG LEU A 73 7.823 -7.945 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.381 -8.041 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.853 -8.567 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.401 -9.774 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.891 -8.406 8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.975 -10.153 7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.470 -9.193 7.826 1.00 0.00 H new ATOM 996 N ILE A 74 9.380 -9.677 1.914 1.00 0.00 N ATOM 997 CA ILE A 74 8.974 -9.460 0.538 1.00 0.00 C ATOM 998 C ILE A 74 7.981 -10.534 0.097 1.00 0.00 C ATOM 999 O ILE A 74 8.107 -11.706 0.465 1.00 0.00 O ATOM 1000 CB ILE A 74 10.193 -9.427 -0.418 1.00 0.00 C ATOM 1001 CG1 ILE A 74 9.773 -8.950 -1.812 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.865 -10.790 -0.497 1.00 0.00 C ATOM 1003 CD1 ILE A 74 10.243 -7.548 -2.135 1.00 0.00 C ATOM 0 H ILE A 74 10.233 -10.225 2.023 1.00 0.00 H new ATOM 0 HA ILE A 74 8.486 -8.487 0.488 1.00 0.00 H new ATOM 0 HB ILE A 74 10.917 -8.719 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.169 -9.639 -2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.686 -8.988 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.717 -10.737 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.208 -11.084 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.152 -11.526 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.911 -7.275 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.826 -6.848 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 74 11.331 -7.510 -2.091 1.00 0.00 H new ATOM 1015 N ILE A 75 6.983 -10.117 -0.663 1.00 0.00 N ATOM 1016 CA ILE A 75 5.983 -11.032 -1.187 1.00 0.00 C ATOM 1017 C ILE A 75 6.207 -11.223 -2.678 1.00 0.00 C ATOM 1018 O ILE A 75 6.360 -10.251 -3.418 1.00 0.00 O ATOM 1019 CB ILE A 75 4.527 -10.540 -0.955 1.00 0.00 C ATOM 1020 CG1 ILE A 75 4.498 -9.109 -0.389 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.769 -11.499 -0.042 1.00 0.00 C ATOM 1022 CD1 ILE A 75 4.700 -9.019 1.111 1.00 0.00 C ATOM 0 H ILE A 75 6.843 -9.143 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 75 6.099 -11.972 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 75 4.028 -10.522 -1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.272 -8.521 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.541 -8.652 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.753 -11.134 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.736 -12.488 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.276 -11.561 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.664 -7.975 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.912 -9.575 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.669 -9.443 1.374 1.00 0.00 H new ATOM 1034 N ASN A 76 6.240 -12.470 -3.116 1.00 0.00 N ATOM 1035 CA ASN A 76 6.441 -12.779 -4.527 1.00 0.00 C ATOM 1036 C ASN A 76 5.202 -12.420 -5.327 1.00 0.00 C ATOM 1037 O ASN A 76 5.235 -12.388 -6.557 1.00 0.00 O ATOM 1038 CB ASN A 76 6.777 -14.258 -4.715 1.00 0.00 C ATOM 1039 CG ASN A 76 8.199 -14.585 -4.299 1.00 0.00 C ATOM 1040 OD1 ASN A 76 9.129 -14.519 -5.106 1.00 0.00 O ATOM 1041 ND2 ASN A 76 8.377 -14.938 -3.035 1.00 0.00 N ATOM 0 H ASN A 76 6.130 -13.288 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 76 7.280 -12.185 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.082 -14.863 -4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.636 -14.530 -5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.311 -15.168 -2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.580 -14.980 -2.400 1.00 0.00 H new ATOM 1048 N ALA A 77 4.108 -12.170 -4.604 1.00 0.00 N ATOM 1049 CA ALA A 77 2.847 -11.732 -5.196 1.00 0.00 C ATOM 1050 C ALA A 77 2.314 -12.748 -6.200 1.00 0.00 C ATOM 1051 O ALA A 77 1.610 -12.392 -7.141 1.00 0.00 O ATOM 1052 CB ALA A 77 3.009 -10.364 -5.845 1.00 0.00 C ATOM 0 H ALA A 77 4.074 -12.267 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 77 2.114 -11.652 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.060 -10.053 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.317 -9.638 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.766 -10.420 -6.627 1.00 0.00 H new ATOM 1058 N ALA A 78 2.647 -14.015 -5.981 1.00 0.00 N ATOM 1059 CA ALA A 78 2.175 -15.088 -6.846 1.00 0.00 C ATOM 1060 C ALA A 78 0.655 -15.173 -6.805 1.00 0.00 C ATOM 1061 O ALA A 78 0.004 -15.453 -7.814 1.00 0.00 O ATOM 1062 CB ALA A 78 2.798 -16.410 -6.427 1.00 0.00 C ATOM 0 H ALA A 78 3.242 -14.323 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 78 2.477 -14.872 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.438 -17.205 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.883 -16.341 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.520 -16.633 -5.397 1.00 0.00 H new ATOM 1068 N ASN A 79 0.099 -14.932 -5.624 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.343 -14.896 -5.442 1.00 0.00 C ATOM 1070 C ASN A 79 -1.736 -13.555 -4.844 1.00 0.00 C ATOM 1071 O ASN A 79 -1.876 -13.431 -3.635 1.00 0.00 O ATOM 1072 CB ASN A 79 -1.797 -16.026 -4.506 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.087 -17.342 -4.771 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -1.568 -18.178 -5.536 1.00 0.00 O ATOM 1075 ND2 ASN A 79 0.062 -17.538 -4.136 1.00 0.00 N ATOM 0 H ASN A 79 0.632 -14.757 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.826 -15.030 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.620 -15.727 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.872 -16.171 -4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.579 -18.406 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.428 -16.820 -3.510 1.00 0.00 H new ATOM 1082 N CYS A 80 -1.886 -12.539 -5.671 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.192 -11.213 -5.161 1.00 0.00 C ATOM 1084 C CYS A 80 -3.438 -10.636 -5.816 1.00 0.00 C ATOM 1085 O CYS A 80 -3.583 -10.667 -7.039 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.000 -10.276 -5.364 1.00 0.00 C ATOM 1087 SG CYS A 80 -0.568 -9.309 -3.878 1.00 0.00 S ATOM 0 H CYS A 80 -1.803 -12.602 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.391 -11.306 -4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.134 -10.864 -5.669 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.223 -9.590 -6.181 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.339 -10.125 -4.987 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.563 -9.496 -5.467 1.00 0.00 C ATOM 1094 C VAL A 81 -5.830 -8.202 -4.710 1.00 0.00 C ATOM 1095 O VAL A 81 -5.467 -8.070 -3.538 1.00 0.00 O ATOM 1096 CB VAL A 81 -6.798 -10.420 -5.319 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -7.304 -10.856 -6.684 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.482 -11.631 -4.450 1.00 0.00 C ATOM 0 H VAL A 81 -4.244 -10.134 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.411 -9.291 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.585 -9.851 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.171 -11.504 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.587 -9.978 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.517 -11.399 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.369 -12.259 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.673 -12.204 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.178 -11.297 -3.458 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.446 -7.249 -5.395 1.00 0.00 N ATOM 1109 CA ALA A 82 -6.813 -5.975 -4.797 1.00 0.00 C ATOM 1110 C ALA A 82 -7.871 -5.291 -5.652 1.00 0.00 C ATOM 1111 O ALA A 82 -7.612 -4.185 -6.171 1.00 0.00 O ATOM 1112 CB ALA A 82 -5.595 -5.080 -4.633 1.00 0.00 C ATOM 1113 OXT ALA A 82 -8.950 -5.889 -5.830 1.00 0.00 O ATOM 0 H ALA A 82 -6.704 -7.337 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.224 -6.161 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.897 -4.134 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.866 -5.572 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.148 -4.892 -5.609 1.00 0.00 H new TER 1119 ALA A 82