USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 560 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 44 TYR OH : rot 85:sc= 1.07 USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 54 LYS NZ :NH3+ 164:sc= 0.654 (180deg=0) USER MOD Set 1.4: A 57 MET CE :methyl 172:sc= -0.773 (180deg=-1.21) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -149:sc= -0.304 (180deg=-1.58!) USER MOD Set 2.2: A 32 GLN : amide:sc= 2.17 K(o=3,f=-6.1!) USER MOD Set 2.3: A 40 LYS NZ :NH3+ -141:sc= 1.14 (180deg=0) USER MOD Set 3.1: A 10 CYS SG : rot -135:sc= 0 USER MOD Set 3.2: A 14 HIS : no HD1:sc= -2.37! K(o=-2.4!,f=-1.4) USER MOD Set 3.3: A 76 MET CE :methyl 153:sc= -0.0346 (180deg=-1.97) USER MOD Single : A 7 TYR OH : rot 24:sc= 1.11 USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= -0.0104 (180deg=-0.12) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 79:sc= 1.07 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 0.834 (180deg=0.368) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.123 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0.611 (180deg=0.611) USER MOD Single : A 38 TYR OH : rot 13:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0356) USER MOD Single : A 41 MET CE :methyl -132:sc= -0.242 (180deg=-4.09!) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0.394 (180deg=0.345) USER MOD Single : A 48 SER OG : rot -97:sc= 1.26 USER MOD Single : A 56 MET CE :methyl -169:sc=-0.00715 (180deg=-0.185) USER MOD Single : A 58 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 59 ASN : amide:sc= -0.0512! X(o=-0.051!,f=-0.065) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0.885 (180deg=0.858) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0582) USER MOD Single : A 65 SER OG : rot 153:sc= 0.833 USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00121) USER MOD Single : A 75 TYR OH : rot -58:sc= 0.665 USER MOD Single : A 77 SER OG : rot -43:sc= 0.642 USER MOD Single : A 78 LYS NZ :NH3+ -121:sc= -0.117 (180deg=-0.842) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.076 -9.727 -4.391 1.00 0.00 N ATOM 26 CA GLY A 3 1.694 -8.442 -4.084 1.00 0.00 C ATOM 27 C GLY A 3 2.678 -7.936 -5.148 1.00 0.00 C ATOM 28 O GLY A 3 2.601 -6.785 -5.575 1.00 0.00 O ATOM 0 HA2 GLY A 3 0.908 -7.698 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.219 -8.524 -3.132 1.00 0.00 H new ATOM 32 N ALA A 4 3.605 -8.785 -5.586 1.00 0.00 N ATOM 33 CA ALA A 4 4.649 -8.445 -6.541 1.00 0.00 C ATOM 34 C ALA A 4 4.110 -7.757 -7.794 1.00 0.00 C ATOM 35 O ALA A 4 4.657 -6.744 -8.225 1.00 0.00 O ATOM 36 CB ALA A 4 5.441 -9.705 -6.899 1.00 0.00 C ATOM 0 H ALA A 4 3.649 -9.756 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 4 5.310 -7.720 -6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.223 -9.452 -7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.893 -10.119 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.771 -10.443 -7.340 1.00 0.00 H new ATOM 42 N ALA A 5 3.041 -8.292 -8.392 1.00 0.00 N ATOM 43 CA ALA A 5 2.493 -7.676 -9.595 1.00 0.00 C ATOM 44 C ALA A 5 1.919 -6.295 -9.277 1.00 0.00 C ATOM 45 O ALA A 5 2.189 -5.320 -9.973 1.00 0.00 O ATOM 46 CB ALA A 5 1.424 -8.576 -10.213 1.00 0.00 C ATOM 0 H ALA A 5 2.552 -9.127 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 5 3.298 -7.551 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.024 -8.103 -11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.865 -9.537 -10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.619 -8.731 -9.495 1.00 0.00 H new ATOM 52 N LEU A 6 1.121 -6.217 -8.210 1.00 0.00 N ATOM 53 CA LEU A 6 0.450 -5.032 -7.753 1.00 0.00 C ATOM 54 C LEU A 6 1.464 -3.908 -7.547 1.00 0.00 C ATOM 55 O LEU A 6 1.223 -2.769 -7.948 1.00 0.00 O ATOM 56 CB LEU A 6 -0.253 -5.428 -6.461 1.00 0.00 C ATOM 57 CG LEU A 6 -1.567 -6.182 -6.698 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.437 -7.498 -7.477 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.176 -6.498 -5.336 1.00 0.00 C ATOM 0 H LEU A 6 0.926 -7.028 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.275 -4.654 -8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.415 -6.052 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.456 -4.531 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.185 -5.529 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.421 -7.952 -7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.014 -7.298 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.783 -8.180 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.114 -7.036 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.484 -7.115 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.365 -5.569 -4.798 1.00 0.00 H new ATOM 71 N TYR A 7 2.615 -4.253 -6.959 1.00 0.00 N ATOM 72 CA TYR A 7 3.708 -3.329 -6.695 1.00 0.00 C ATOM 73 C TYR A 7 4.084 -2.469 -7.913 1.00 0.00 C ATOM 74 O TYR A 7 4.546 -1.337 -7.754 1.00 0.00 O ATOM 75 CB TYR A 7 4.926 -4.082 -6.145 1.00 0.00 C ATOM 76 CG TYR A 7 5.876 -3.153 -5.420 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.527 -2.697 -4.138 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.935 -2.542 -6.112 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.189 -1.596 -3.570 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.591 -1.436 -5.546 1.00 0.00 C ATOM 81 CZ TYR A 7 7.177 -0.925 -4.307 1.00 0.00 C ATOM 82 OH TYR A 7 7.714 0.235 -3.843 1.00 0.00 O ATOM 0 H TYR A 7 2.810 -5.205 -6.649 1.00 0.00 H new ATOM 0 HA TYR A 7 3.354 -2.631 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.593 -4.866 -5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.451 -4.573 -6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.745 -3.196 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.244 -2.921 -7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.939 -1.268 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.418 -0.977 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 7 7.615 0.274 -2.869 1.00 0.00 H new ATOM 92 N LYS A 8 3.885 -2.974 -9.136 1.00 0.00 N ATOM 93 CA LYS A 8 4.171 -2.195 -10.335 1.00 0.00 C ATOM 94 C LYS A 8 3.433 -0.849 -10.293 1.00 0.00 C ATOM 95 O LYS A 8 3.998 0.172 -10.674 1.00 0.00 O ATOM 96 CB LYS A 8 3.812 -2.999 -11.593 1.00 0.00 C ATOM 97 CG LYS A 8 4.609 -4.307 -11.735 1.00 0.00 C ATOM 98 CD LYS A 8 6.087 -4.067 -12.077 1.00 0.00 C ATOM 99 CE LYS A 8 6.862 -5.387 -12.181 1.00 0.00 C ATOM 100 NZ LYS A 8 6.366 -6.239 -13.277 1.00 0.00 N ATOM 0 H LYS A 8 3.529 -3.913 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 8 5.239 -1.982 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.747 -3.232 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.987 -2.379 -12.472 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.543 -4.871 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.156 -4.921 -12.513 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.160 -3.526 -13.020 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.541 -3.437 -11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.919 -5.174 -12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.783 -5.928 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.010 -7.045 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.416 -6.590 -13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.322 -5.684 -14.155 1.00 0.00 H new ATOM 114 N SER A 9 2.202 -0.827 -9.768 1.00 0.00 N ATOM 115 CA SER A 9 1.402 0.390 -9.631 1.00 0.00 C ATOM 116 C SER A 9 1.627 1.040 -8.258 1.00 0.00 C ATOM 117 O SER A 9 0.685 1.549 -7.654 1.00 0.00 O ATOM 118 CB SER A 9 -0.075 0.028 -9.829 1.00 0.00 C ATOM 119 OG SER A 9 -0.250 -0.629 -11.070 1.00 0.00 O ATOM 0 H SER A 9 1.731 -1.664 -9.424 1.00 0.00 H new ATOM 0 HA SER A 9 1.705 1.115 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.412 -0.616 -9.017 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.687 0.930 -9.796 1.00 0.00 H new ATOM 0 HG SER A 9 -1.195 -0.858 -11.188 1.00 0.00 H new ATOM 125 N CYS A 10 2.865 0.998 -7.757 1.00 0.00 N ATOM 126 CA CYS A 10 3.255 1.462 -6.427 1.00 0.00 C ATOM 127 C CYS A 10 4.579 2.226 -6.445 1.00 0.00 C ATOM 128 O CYS A 10 4.809 3.150 -5.656 1.00 0.00 O ATOM 129 CB CYS A 10 3.360 0.215 -5.559 1.00 0.00 C ATOM 130 SG CYS A 10 2.741 0.316 -3.902 1.00 0.00 S ATOM 0 H CYS A 10 3.651 0.625 -8.289 1.00 0.00 H new ATOM 0 HA CYS A 10 2.518 2.164 -6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.833 -0.593 -6.066 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.410 -0.072 -5.509 1.00 0.00 H new ATOM 0 HG CYS A 10 3.590 -0.236 -3.087 1.00 0.00 H new ATOM 135 N ILE A 11 5.459 1.802 -7.357 1.00 0.00 N ATOM 136 CA ILE A 11 6.734 2.431 -7.662 1.00 0.00 C ATOM 137 C ILE A 11 6.529 3.935 -7.831 1.00 0.00 C ATOM 138 O ILE A 11 5.441 4.407 -8.159 1.00 0.00 O ATOM 139 CB ILE A 11 7.275 1.771 -8.954 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.742 0.338 -8.644 1.00 0.00 C ATOM 141 CG2 ILE A 11 8.393 2.549 -9.671 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.019 -0.495 -9.900 1.00 0.00 C ATOM 0 H ILE A 11 5.288 0.972 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 11 7.457 2.293 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 11 6.439 1.771 -9.654 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.647 0.381 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.982 -0.163 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.702 2.003 -10.563 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.025 3.534 -9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.245 2.661 -9.001 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.344 -1.494 -9.610 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.109 -0.568 -10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.801 -0.016 -10.489 1.00 0.00 H new ATOM 154 N GLY A 12 7.580 4.707 -7.571 1.00 0.00 N ATOM 155 CA GLY A 12 7.502 6.150 -7.688 1.00 0.00 C ATOM 156 C GLY A 12 6.955 6.756 -6.401 1.00 0.00 C ATOM 157 O GLY A 12 7.631 7.595 -5.814 1.00 0.00 O ATOM 0 H GLY A 12 8.491 4.354 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.490 6.559 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.860 6.420 -8.527 1.00 0.00 H new ATOM 161 N CYS A 13 5.778 6.332 -5.914 1.00 0.00 N ATOM 162 CA CYS A 13 5.274 6.891 -4.666 1.00 0.00 C ATOM 163 C CYS A 13 6.038 6.241 -3.523 1.00 0.00 C ATOM 164 O CYS A 13 6.424 6.910 -2.570 1.00 0.00 O ATOM 165 CB CYS A 13 3.769 6.689 -4.521 1.00 0.00 C ATOM 166 SG CYS A 13 2.765 7.800 -5.551 1.00 0.00 S ATOM 0 H CYS A 13 5.182 5.630 -6.352 1.00 0.00 H new ATOM 0 HA CYS A 13 5.432 7.969 -4.655 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.526 5.657 -4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.494 6.833 -3.476 1.00 0.00 H new ATOM 0 HG CYS A 13 1.504 7.549 -5.359 1.00 0.00 H new ATOM 171 N HIS A 14 6.275 4.932 -3.647 1.00 0.00 N ATOM 172 CA HIS A 14 7.040 4.147 -2.687 1.00 0.00 C ATOM 173 C HIS A 14 8.449 3.834 -3.207 1.00 0.00 C ATOM 174 O HIS A 14 9.180 3.023 -2.635 1.00 0.00 O ATOM 175 CB HIS A 14 6.203 2.923 -2.354 1.00 0.00 C ATOM 176 CG HIS A 14 4.954 3.342 -1.619 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.989 3.827 -0.321 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.675 3.592 -2.048 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.747 4.228 -0.009 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.862 3.933 -0.957 1.00 0.00 N ATOM 0 H HIS A 14 5.932 4.382 -4.434 1.00 0.00 H new ATOM 0 HA HIS A 14 7.226 4.703 -1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.937 2.393 -3.269 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.781 2.231 -1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.343 3.535 -3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.494 4.735 0.911 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.844 3.950 -0.904 1.00 0.00 H new ATOM 188 N GLY A 15 8.838 4.504 -4.294 1.00 0.00 N ATOM 189 CA GLY A 15 10.168 4.426 -4.866 1.00 0.00 C ATOM 190 C GLY A 15 10.269 3.102 -5.590 1.00 0.00 C ATOM 191 O GLY A 15 9.719 2.966 -6.678 1.00 0.00 O ATOM 0 H GLY A 15 8.216 5.129 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.340 5.254 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.926 4.497 -4.086 1.00 0.00 H new ATOM 195 N ALA A 16 10.942 2.146 -4.959 1.00 0.00 N ATOM 196 CA ALA A 16 11.032 0.761 -5.385 1.00 0.00 C ATOM 197 C ALA A 16 11.080 -0.090 -4.113 1.00 0.00 C ATOM 198 O ALA A 16 11.711 -1.143 -4.082 1.00 0.00 O ATOM 199 CB ALA A 16 12.272 0.567 -6.263 1.00 0.00 C ATOM 0 H ALA A 16 11.461 2.327 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 16 10.176 0.463 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.334 -0.474 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.201 1.210 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.165 0.827 -5.694 1.00 0.00 H new ATOM 205 N ASP A 17 10.437 0.402 -3.046 1.00 0.00 N ATOM 206 CA ASP A 17 10.472 -0.183 -1.724 1.00 0.00 C ATOM 207 C ASP A 17 9.274 0.374 -0.946 1.00 0.00 C ATOM 208 O ASP A 17 8.139 -0.030 -1.194 1.00 0.00 O ATOM 209 CB ASP A 17 11.851 0.116 -1.093 1.00 0.00 C ATOM 210 CG ASP A 17 12.298 1.572 -1.268 1.00 0.00 C ATOM 211 OD1 ASP A 17 12.816 1.903 -2.357 1.00 0.00 O ATOM 212 OD2 ASP A 17 12.072 2.343 -0.308 1.00 0.00 O ATOM 0 H ASP A 17 9.864 1.244 -3.094 1.00 0.00 H new ATOM 0 HA ASP A 17 10.374 -1.269 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.814 -0.120 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.597 -0.541 -1.540 1.00 0.00 H new ATOM 217 N GLY A 18 9.509 1.328 -0.048 1.00 0.00 N ATOM 218 CA GLY A 18 8.488 1.994 0.740 1.00 0.00 C ATOM 219 C GLY A 18 9.100 2.887 1.816 1.00 0.00 C ATOM 220 O GLY A 18 8.503 3.043 2.880 1.00 0.00 O ATOM 0 H GLY A 18 10.450 1.666 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.856 2.594 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.845 1.248 1.208 1.00 0.00 H new ATOM 224 N SER A 19 10.276 3.469 1.548 1.00 0.00 N ATOM 225 CA SER A 19 10.979 4.325 2.495 1.00 0.00 C ATOM 226 C SER A 19 10.579 5.789 2.324 1.00 0.00 C ATOM 227 O SER A 19 10.382 6.501 3.304 1.00 0.00 O ATOM 228 CB SER A 19 12.495 4.199 2.303 1.00 0.00 C ATOM 229 OG SER A 19 12.883 2.845 2.240 1.00 0.00 O ATOM 0 H SER A 19 10.765 3.354 0.660 1.00 0.00 H new ATOM 0 HA SER A 19 10.703 3.998 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.793 4.710 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.012 4.692 3.126 1.00 0.00 H new ATOM 0 HG SER A 19 12.687 2.490 1.348 1.00 0.00 H new ATOM 235 N LYS A 20 10.517 6.247 1.070 1.00 0.00 N ATOM 236 CA LYS A 20 10.263 7.645 0.774 1.00 0.00 C ATOM 237 C LYS A 20 8.866 8.089 1.196 1.00 0.00 C ATOM 238 O LYS A 20 7.918 7.304 1.176 1.00 0.00 O ATOM 239 CB LYS A 20 10.505 7.934 -0.719 1.00 0.00 C ATOM 240 CG LYS A 20 9.358 7.493 -1.645 1.00 0.00 C ATOM 241 CD LYS A 20 9.655 7.851 -3.109 1.00 0.00 C ATOM 242 CE LYS A 20 9.000 9.168 -3.554 1.00 0.00 C ATOM 243 NZ LYS A 20 9.403 10.322 -2.734 1.00 0.00 N ATOM 0 H LYS A 20 10.641 5.660 0.245 1.00 0.00 H new ATOM 0 HA LYS A 20 10.968 8.230 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.669 9.004 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.421 7.432 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.208 6.417 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.430 7.972 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.734 7.924 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.306 7.043 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.259 9.362 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.916 9.060 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.204 11.202 -3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.869 10.317 -1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.421 10.264 -2.529 1.00 0.00 H new ATOM 257 N ALA A 21 8.742 9.372 1.539 1.00 0.00 N ATOM 258 CA ALA A 21 7.445 9.983 1.749 1.00 0.00 C ATOM 259 C ALA A 21 6.869 10.171 0.344 1.00 0.00 C ATOM 260 O ALA A 21 7.580 10.641 -0.543 1.00 0.00 O ATOM 261 CB ALA A 21 7.607 11.317 2.480 1.00 0.00 C ATOM 0 H ALA A 21 9.532 10.003 1.676 1.00 0.00 H new ATOM 0 HA ALA A 21 6.784 9.376 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.627 11.769 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.084 11.147 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.226 11.986 1.883 1.00 0.00 H new ATOM 267 N ALA A 22 5.626 9.744 0.127 1.00 0.00 N ATOM 268 CA ALA A 22 4.960 9.819 -1.163 1.00 0.00 C ATOM 269 C ALA A 22 4.477 11.249 -1.425 1.00 0.00 C ATOM 270 O ALA A 22 5.276 12.184 -1.445 1.00 0.00 O ATOM 271 CB ALA A 22 3.857 8.759 -1.179 1.00 0.00 C ATOM 0 H ALA A 22 5.048 9.330 0.858 1.00 0.00 H new ATOM 0 HA ALA A 22 5.636 9.598 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.337 8.790 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.298 7.772 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.149 8.959 -0.375 1.00 0.00 H new ATOM 277 N MET A 23 3.174 11.436 -1.650 1.00 0.00 N ATOM 278 CA MET A 23 2.583 12.754 -1.853 1.00 0.00 C ATOM 279 C MET A 23 2.617 13.547 -0.539 1.00 0.00 C ATOM 280 O MET A 23 1.598 13.715 0.129 1.00 0.00 O ATOM 281 CB MET A 23 1.154 12.607 -2.396 1.00 0.00 C ATOM 282 CG MET A 23 1.145 12.233 -3.881 1.00 0.00 C ATOM 283 SD MET A 23 -0.515 12.089 -4.590 1.00 0.00 S ATOM 284 CE MET A 23 -0.144 12.417 -6.327 1.00 0.00 C ATOM 0 H MET A 23 2.500 10.672 -1.696 1.00 0.00 H new ATOM 0 HA MET A 23 3.162 13.309 -2.591 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.625 11.843 -1.826 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.613 13.543 -2.254 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.704 12.985 -4.439 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.668 11.286 -4.010 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.063 12.367 -6.911 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.294 13.410 -6.424 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.561 11.672 -6.696 1.00 0.00 H new ATOM 294 N GLY A 24 3.796 14.051 -0.174 1.00 0.00 N ATOM 295 CA GLY A 24 4.007 14.781 1.063 1.00 0.00 C ATOM 296 C GLY A 24 4.151 13.809 2.232 1.00 0.00 C ATOM 297 O GLY A 24 4.202 12.595 2.038 1.00 0.00 O ATOM 0 H GLY A 24 4.639 13.959 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.902 15.398 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.170 15.456 1.243 1.00 0.00 H new ATOM 301 N SER A 25 4.222 14.355 3.449 1.00 0.00 N ATOM 302 CA SER A 25 4.386 13.650 4.710 1.00 0.00 C ATOM 303 C SER A 25 3.554 12.366 4.788 1.00 0.00 C ATOM 304 O SER A 25 2.345 12.425 5.012 1.00 0.00 O ATOM 305 CB SER A 25 4.008 14.632 5.824 1.00 0.00 C ATOM 306 OG SER A 25 4.566 15.899 5.515 1.00 0.00 O ATOM 0 H SER A 25 4.162 15.365 3.581 1.00 0.00 H new ATOM 0 HA SER A 25 5.420 13.321 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.924 14.707 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.382 14.277 6.785 1.00 0.00 H new ATOM 0 HG SER A 25 4.332 16.540 6.218 1.00 0.00 H new ATOM 312 N ALA A 26 4.197 11.214 4.593 1.00 0.00 N ATOM 313 CA ALA A 26 3.576 9.904 4.632 1.00 0.00 C ATOM 314 C ALA A 26 4.492 8.980 5.424 1.00 0.00 C ATOM 315 O ALA A 26 5.704 8.993 5.212 1.00 0.00 O ATOM 316 CB ALA A 26 3.407 9.397 3.200 1.00 0.00 C ATOM 0 H ALA A 26 5.197 11.174 4.398 1.00 0.00 H new ATOM 0 HA ALA A 26 2.595 9.941 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.941 8.412 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.776 10.088 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.384 9.329 2.721 1.00 0.00 H new ATOM 322 N LYS A 27 3.930 8.206 6.352 1.00 0.00 N ATOM 323 CA LYS A 27 4.619 7.238 7.152 1.00 0.00 C ATOM 324 C LYS A 27 5.294 6.218 6.232 1.00 0.00 C ATOM 325 O LYS A 27 4.596 5.604 5.424 1.00 0.00 O ATOM 326 CB LYS A 27 3.527 6.545 7.964 1.00 0.00 C ATOM 327 CG LYS A 27 3.064 7.373 9.168 1.00 0.00 C ATOM 328 CD LYS A 27 1.746 6.858 9.771 1.00 0.00 C ATOM 329 CE LYS A 27 1.897 5.663 10.724 1.00 0.00 C ATOM 330 NZ LYS A 27 2.399 4.451 10.053 1.00 0.00 N ATOM 0 H LYS A 27 2.933 8.252 6.564 1.00 0.00 H new ATOM 0 HA LYS A 27 5.383 7.687 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.673 6.344 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.897 5.581 8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.839 7.358 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.938 8.412 8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.265 7.675 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.077 6.574 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.578 5.933 11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.931 5.445 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.011 3.608 10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.103 4.459 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.437 4.430 10.106 1.00 0.00 H new ATOM 344 N PRO A 28 6.620 6.019 6.326 1.00 0.00 N ATOM 345 CA PRO A 28 7.301 5.004 5.545 1.00 0.00 C ATOM 346 C PRO A 28 6.598 3.660 5.715 1.00 0.00 C ATOM 347 O PRO A 28 6.222 3.288 6.824 1.00 0.00 O ATOM 348 CB PRO A 28 8.735 4.970 6.074 1.00 0.00 C ATOM 349 CG PRO A 28 8.947 6.404 6.556 1.00 0.00 C ATOM 350 CD PRO A 28 7.574 6.780 7.115 1.00 0.00 C ATOM 0 HA PRO A 28 7.293 5.222 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.851 4.249 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.447 4.694 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.724 6.464 7.318 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.247 7.064 5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.498 6.530 8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.393 7.851 7.026 1.00 0.00 H new ATOM 358 N VAL A 29 6.389 2.959 4.607 1.00 0.00 N ATOM 359 CA VAL A 29 5.664 1.701 4.544 1.00 0.00 C ATOM 360 C VAL A 29 6.596 0.541 4.858 1.00 0.00 C ATOM 361 O VAL A 29 6.180 -0.440 5.474 1.00 0.00 O ATOM 362 CB VAL A 29 5.089 1.564 3.131 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.179 0.344 2.975 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.263 2.805 2.808 1.00 0.00 C ATOM 0 H VAL A 29 6.733 3.264 3.697 1.00 0.00 H new ATOM 0 HA VAL A 29 4.859 1.686 5.279 1.00 0.00 H new ATOM 0 HB VAL A 29 5.935 1.447 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.802 0.300 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.745 -0.562 3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.341 0.424 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.850 2.716 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.450 2.898 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.898 3.689 2.862 1.00 0.00 H new ATOM 374 N LYS A 30 7.845 0.657 4.396 1.00 0.00 N ATOM 375 CA LYS A 30 8.887 -0.336 4.570 1.00 0.00 C ATOM 376 C LYS A 30 8.880 -0.862 6.012 1.00 0.00 C ATOM 377 O LYS A 30 9.358 -0.191 6.925 1.00 0.00 O ATOM 378 CB LYS A 30 10.228 0.305 4.193 1.00 0.00 C ATOM 379 CG LYS A 30 11.397 -0.680 4.325 1.00 0.00 C ATOM 380 CD LYS A 30 12.745 0.033 4.175 1.00 0.00 C ATOM 381 CE LYS A 30 13.904 -0.967 4.083 1.00 0.00 C ATOM 382 NZ LYS A 30 13.895 -1.942 5.188 1.00 0.00 N ATOM 0 H LYS A 30 8.160 1.475 3.875 1.00 0.00 H new ATOM 0 HA LYS A 30 8.716 -1.195 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.178 0.672 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.409 1.169 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.351 -1.175 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.308 -1.457 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.730 0.657 3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.903 0.697 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.847 -1.498 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.849 -0.425 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.697 -2.595 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.976 -1.440 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.005 -2.480 5.169 1.00 0.00 H new ATOM 396 N GLY A 31 8.309 -2.049 6.216 1.00 0.00 N ATOM 397 CA GLY A 31 8.290 -2.710 7.503 1.00 0.00 C ATOM 398 C GLY A 31 7.552 -2.003 8.641 1.00 0.00 C ATOM 399 O GLY A 31 8.042 -2.055 9.766 1.00 0.00 O ATOM 0 H GLY A 31 7.844 -2.577 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.842 -3.695 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.322 -2.869 7.817 1.00 0.00 H new ATOM 403 N GLN A 32 6.382 -1.383 8.408 1.00 0.00 N ATOM 404 CA GLN A 32 5.610 -0.844 9.548 1.00 0.00 C ATOM 405 C GLN A 32 5.312 -1.995 10.513 1.00 0.00 C ATOM 406 O GLN A 32 5.668 -1.996 11.688 1.00 0.00 O ATOM 407 CB GLN A 32 4.296 -0.133 9.159 1.00 0.00 C ATOM 408 CG GLN A 32 4.448 0.802 7.964 1.00 0.00 C ATOM 409 CD GLN A 32 3.262 1.755 7.784 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.133 1.380 8.080 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.491 2.970 7.282 1.00 0.00 N ATOM 0 H GLN A 32 5.963 -1.245 7.488 1.00 0.00 H new ATOM 0 HA GLN A 32 6.226 -0.073 10.010 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.539 -0.883 8.931 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.932 0.437 10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.360 1.387 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.567 0.207 7.059 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.442 3.253 7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.715 3.616 7.135 1.00 0.00 H new ATOM 420 N GLY A 33 4.633 -2.973 9.935 1.00 0.00 N ATOM 421 CA GLY A 33 4.257 -4.256 10.516 1.00 0.00 C ATOM 422 C GLY A 33 3.151 -4.871 9.663 1.00 0.00 C ATOM 423 O GLY A 33 2.271 -4.146 9.220 1.00 0.00 O ATOM 0 H GLY A 33 4.304 -2.885 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.120 -4.921 10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.913 -4.121 11.541 1.00 0.00 H new ATOM 427 N ALA A 34 3.184 -6.176 9.376 1.00 0.00 N ATOM 428 CA ALA A 34 2.205 -6.815 8.496 1.00 0.00 C ATOM 429 C ALA A 34 0.766 -6.517 8.907 1.00 0.00 C ATOM 430 O ALA A 34 -0.050 -6.215 8.046 1.00 0.00 O ATOM 431 CB ALA A 34 2.444 -8.323 8.373 1.00 0.00 C ATOM 0 H ALA A 34 3.887 -6.815 9.746 1.00 0.00 H new ATOM 0 HA ALA A 34 2.352 -6.375 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.695 -8.757 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.438 -8.502 7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.369 -8.785 9.358 1.00 0.00 H new ATOM 437 N GLU A 35 0.446 -6.587 10.200 1.00 0.00 N ATOM 438 CA GLU A 35 -0.893 -6.284 10.678 1.00 0.00 C ATOM 439 C GLU A 35 -1.260 -4.839 10.335 1.00 0.00 C ATOM 440 O GLU A 35 -2.283 -4.586 9.700 1.00 0.00 O ATOM 441 CB GLU A 35 -0.949 -6.518 12.192 1.00 0.00 C ATOM 442 CG GLU A 35 -0.895 -8.010 12.553 1.00 0.00 C ATOM 443 CD GLU A 35 -2.082 -8.784 11.984 1.00 0.00 C ATOM 444 OE1 GLU A 35 -3.223 -8.404 12.324 1.00 0.00 O ATOM 445 OE2 GLU A 35 -1.827 -9.729 11.207 1.00 0.00 O ATOM 0 H GLU A 35 1.103 -6.853 10.934 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.616 -6.938 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.116 -6.001 12.669 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.865 -6.083 12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.032 -8.440 12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.878 -8.119 13.637 1.00 0.00 H new ATOM 452 N GLU A 36 -0.405 -3.908 10.766 1.00 0.00 N ATOM 453 CA GLU A 36 -0.536 -2.474 10.548 1.00 0.00 C ATOM 454 C GLU A 36 -0.840 -2.237 9.073 1.00 0.00 C ATOM 455 O GLU A 36 -1.855 -1.648 8.702 1.00 0.00 O ATOM 456 CB GLU A 36 0.791 -1.783 10.922 1.00 0.00 C ATOM 457 CG GLU A 36 1.064 -1.667 12.425 1.00 0.00 C ATOM 458 CD GLU A 36 1.110 -3.000 13.172 1.00 0.00 C ATOM 459 OE1 GLU A 36 1.641 -3.970 12.586 1.00 0.00 O ATOM 460 OE2 GLU A 36 0.600 -3.031 14.311 1.00 0.00 O ATOM 0 H GLU A 36 0.431 -4.148 11.298 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.339 -2.067 11.163 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.611 -2.333 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.796 -0.782 10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.014 -1.153 12.569 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.292 -1.042 12.873 1.00 0.00 H new ATOM 467 N LEU A 37 0.084 -2.729 8.252 1.00 0.00 N ATOM 468 CA LEU A 37 0.036 -2.658 6.811 1.00 0.00 C ATOM 469 C LEU A 37 -1.310 -3.200 6.327 1.00 0.00 C ATOM 470 O LEU A 37 -2.117 -2.426 5.824 1.00 0.00 O ATOM 471 CB LEU A 37 1.249 -3.414 6.245 1.00 0.00 C ATOM 472 CG LEU A 37 2.559 -2.626 6.425 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.774 -3.555 6.328 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.671 -1.538 5.357 1.00 0.00 C ATOM 0 H LEU A 37 0.917 -3.206 8.596 1.00 0.00 H new ATOM 0 HA LEU A 37 0.102 -1.631 6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.337 -4.380 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.089 -3.613 5.185 1.00 0.00 H new ATOM 0 HG LEU A 37 2.542 -2.169 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.687 -2.974 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.713 -4.316 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.787 -4.036 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.602 -0.987 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.664 -1.997 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.828 -0.853 5.446 1.00 0.00 H new ATOM 486 N TYR A 38 -1.557 -4.506 6.480 1.00 0.00 N ATOM 487 CA TYR A 38 -2.776 -5.201 6.078 1.00 0.00 C ATOM 488 C TYR A 38 -4.006 -4.364 6.326 1.00 0.00 C ATOM 489 O TYR A 38 -4.739 -4.040 5.401 1.00 0.00 O ATOM 490 CB TYR A 38 -2.932 -6.510 6.861 1.00 0.00 C ATOM 491 CG TYR A 38 -4.120 -7.388 6.487 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.638 -7.416 5.174 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.746 -8.154 7.490 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.811 -8.137 4.890 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.903 -8.897 7.197 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.439 -8.885 5.900 1.00 0.00 C ATOM 497 OH TYR A 38 -7.568 -9.599 5.633 1.00 0.00 O ATOM 0 H TYR A 38 -0.877 -5.133 6.909 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.684 -5.400 5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.021 -7.095 6.732 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.008 -6.267 7.921 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.131 -6.881 4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.335 -8.171 8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.230 -8.116 3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.380 -9.478 7.972 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.697 -9.657 4.663 1.00 0.00 H new ATOM 507 N LYS A 39 -4.224 -4.046 7.593 1.00 0.00 N ATOM 508 CA LYS A 39 -5.396 -3.279 7.985 1.00 0.00 C ATOM 509 C LYS A 39 -5.517 -1.971 7.192 1.00 0.00 C ATOM 510 O LYS A 39 -6.615 -1.626 6.766 1.00 0.00 O ATOM 511 CB LYS A 39 -5.420 -3.043 9.503 1.00 0.00 C ATOM 512 CG LYS A 39 -6.128 -4.173 10.270 1.00 0.00 C ATOM 513 CD LYS A 39 -5.374 -5.509 10.213 1.00 0.00 C ATOM 514 CE LYS A 39 -6.095 -6.621 10.982 1.00 0.00 C ATOM 515 NZ LYS A 39 -7.370 -6.995 10.344 1.00 0.00 N ATOM 0 H LYS A 39 -3.608 -4.306 8.364 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.276 -3.871 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.397 -2.948 9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.922 -2.098 9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.249 -3.876 11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.128 -4.310 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.253 -5.810 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.374 -5.376 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.449 -7.497 11.043 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.284 -6.292 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.768 -7.827 10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.039 -6.202 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.204 -7.220 9.342 1.00 0.00 H new ATOM 529 N LYS A 40 -4.425 -1.240 6.966 1.00 0.00 N ATOM 530 CA LYS A 40 -4.454 0.007 6.237 1.00 0.00 C ATOM 531 C LYS A 40 -4.594 -0.203 4.719 1.00 0.00 C ATOM 532 O LYS A 40 -5.406 0.493 4.113 1.00 0.00 O ATOM 533 CB LYS A 40 -3.229 0.802 6.683 1.00 0.00 C ATOM 534 CG LYS A 40 -3.471 1.297 8.122 1.00 0.00 C ATOM 535 CD LYS A 40 -2.381 2.226 8.665 1.00 0.00 C ATOM 536 CE LYS A 40 -1.062 1.488 8.902 1.00 0.00 C ATOM 537 NZ LYS A 40 -0.060 2.370 9.520 1.00 0.00 N ATOM 0 H LYS A 40 -3.495 -1.507 7.290 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.345 0.591 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.336 0.179 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.060 1.646 6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.427 1.820 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.556 0.433 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.218 3.043 7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.719 2.673 9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.236 0.625 9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.680 1.108 7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.875 2.176 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.316 3.363 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.029 2.196 10.545 1.00 0.00 H new ATOM 551 N MET A 41 -3.871 -1.139 4.079 1.00 0.00 N ATOM 552 CA MET A 41 -4.105 -1.400 2.651 1.00 0.00 C ATOM 553 C MET A 41 -5.545 -1.891 2.453 1.00 0.00 C ATOM 554 O MET A 41 -6.199 -1.507 1.484 1.00 0.00 O ATOM 555 CB MET A 41 -3.050 -2.298 1.955 1.00 0.00 C ATOM 556 CG MET A 41 -2.460 -3.508 2.708 1.00 0.00 C ATOM 557 SD MET A 41 -0.741 -3.290 3.224 1.00 0.00 S ATOM 558 CE MET A 41 0.069 -3.001 1.644 1.00 0.00 C ATOM 0 H MET A 41 -3.144 -1.709 4.511 1.00 0.00 H new ATOM 0 HA MET A 41 -3.975 -0.450 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.498 -2.674 1.035 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.217 -1.657 1.665 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.070 -3.707 3.589 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.527 -4.388 2.069 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.956 -3.631 1.569 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.618 -3.244 0.833 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.361 -1.953 1.571 1.00 0.00 H new ATOM 568 N LYS A 42 -6.057 -2.702 3.385 1.00 0.00 N ATOM 569 CA LYS A 42 -7.438 -3.156 3.365 1.00 0.00 C ATOM 570 C LYS A 42 -8.346 -1.938 3.513 1.00 0.00 C ATOM 571 O LYS A 42 -9.300 -1.793 2.760 1.00 0.00 O ATOM 572 CB LYS A 42 -7.684 -4.185 4.478 1.00 0.00 C ATOM 573 CG LYS A 42 -8.985 -4.962 4.246 1.00 0.00 C ATOM 574 CD LYS A 42 -9.150 -6.036 5.330 1.00 0.00 C ATOM 575 CE LYS A 42 -10.425 -6.865 5.134 1.00 0.00 C ATOM 576 NZ LYS A 42 -10.405 -7.630 3.873 1.00 0.00 N ATOM 0 H LYS A 42 -5.518 -3.059 4.174 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.658 -3.654 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.846 -4.881 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.729 -3.677 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.835 -4.280 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.971 -5.427 3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.283 -6.697 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.175 -5.560 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.542 -7.552 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.291 -6.203 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.238 -8.252 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.423 -6.972 3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.540 -8.206 3.830 1.00 0.00 H new ATOM 590 N GLY A 43 -8.037 -1.064 4.474 1.00 0.00 N ATOM 591 CA GLY A 43 -8.746 0.180 4.731 1.00 0.00 C ATOM 592 C GLY A 43 -8.888 0.995 3.448 1.00 0.00 C ATOM 593 O GLY A 43 -9.979 1.461 3.114 1.00 0.00 O ATOM 0 H GLY A 43 -7.257 -1.214 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.732 -0.036 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.209 0.762 5.480 1.00 0.00 H new ATOM 597 N TYR A 44 -7.765 1.175 2.746 1.00 0.00 N ATOM 598 CA TYR A 44 -7.715 1.897 1.487 1.00 0.00 C ATOM 599 C TYR A 44 -8.578 1.174 0.449 1.00 0.00 C ATOM 600 O TYR A 44 -9.529 1.756 -0.063 1.00 0.00 O ATOM 601 CB TYR A 44 -6.256 2.082 1.024 1.00 0.00 C ATOM 602 CG TYR A 44 -5.373 3.028 1.831 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.859 4.286 2.237 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.996 2.755 1.969 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.024 5.187 2.920 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.145 3.687 2.593 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.674 4.866 3.135 1.00 0.00 C ATOM 608 OH TYR A 44 -2.852 5.760 3.756 1.00 0.00 O ATOM 0 H TYR A 44 -6.859 0.816 3.046 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.126 2.898 1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.779 1.102 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.273 2.436 -0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.881 4.560 2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.592 1.826 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.420 6.125 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.084 3.493 2.654 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.930 5.656 4.727 1.00 0.00 H new ATOM 618 N ALA A 45 -8.298 -0.100 0.160 1.00 0.00 N ATOM 619 CA ALA A 45 -9.050 -0.876 -0.829 1.00 0.00 C ATOM 620 C ALA A 45 -10.557 -0.869 -0.557 1.00 0.00 C ATOM 621 O ALA A 45 -11.360 -0.762 -1.478 1.00 0.00 O ATOM 622 CB ALA A 45 -8.507 -2.305 -0.877 1.00 0.00 C ATOM 0 H ALA A 45 -7.543 -0.622 0.605 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.913 -0.403 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.067 -2.882 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.454 -2.285 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.613 -2.768 0.104 1.00 0.00 H new ATOM 628 N ASP A 46 -10.943 -0.984 0.711 1.00 0.00 N ATOM 629 CA ASP A 46 -12.328 -0.959 1.155 1.00 0.00 C ATOM 630 C ASP A 46 -12.937 0.439 1.004 1.00 0.00 C ATOM 631 O ASP A 46 -14.155 0.576 0.935 1.00 0.00 O ATOM 632 CB ASP A 46 -12.374 -1.428 2.614 1.00 0.00 C ATOM 633 CG ASP A 46 -13.775 -1.338 3.205 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.605 -2.200 2.845 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.976 -0.413 4.022 1.00 0.00 O ATOM 0 H ASP A 46 -10.280 -1.100 1.477 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.923 -1.628 0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.022 -2.458 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.691 -0.823 3.210 1.00 0.00 H new ATOM 640 N GLY A 47 -12.104 1.481 0.964 1.00 0.00 N ATOM 641 CA GLY A 47 -12.546 2.859 0.849 1.00 0.00 C ATOM 642 C GLY A 47 -12.957 3.434 2.203 1.00 0.00 C ATOM 643 O GLY A 47 -13.689 4.419 2.249 1.00 0.00 O ATOM 0 H GLY A 47 -11.090 1.382 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.745 3.464 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.388 2.915 0.159 1.00 0.00 H new ATOM 647 N SER A 48 -12.500 2.829 3.306 1.00 0.00 N ATOM 648 CA SER A 48 -12.755 3.330 4.649 1.00 0.00 C ATOM 649 C SER A 48 -11.609 4.268 5.010 1.00 0.00 C ATOM 650 O SER A 48 -11.839 5.403 5.424 1.00 0.00 O ATOM 651 CB SER A 48 -12.892 2.173 5.642 1.00 0.00 C ATOM 652 OG SER A 48 -12.061 1.092 5.273 1.00 0.00 O ATOM 0 H SER A 48 -11.942 1.976 3.285 1.00 0.00 H new ATOM 0 HA SER A 48 -13.698 3.875 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.629 2.514 6.643 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.930 1.842 5.681 1.00 0.00 H new ATOM 0 HG SER A 48 -12.587 0.428 4.781 1.00 0.00 H new ATOM 658 N TYR A 49 -10.369 3.791 4.860 1.00 0.00 N ATOM 659 CA TYR A 49 -9.196 4.631 5.049 1.00 0.00 C ATOM 660 C TYR A 49 -8.984 5.376 3.726 1.00 0.00 C ATOM 661 O TYR A 49 -9.300 4.829 2.671 1.00 0.00 O ATOM 662 CB TYR A 49 -7.968 3.777 5.430 1.00 0.00 C ATOM 663 CG TYR A 49 -6.738 4.524 5.927 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.835 5.783 6.557 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.476 3.908 5.819 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.678 6.458 6.969 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.320 4.572 6.266 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.419 5.862 6.813 1.00 0.00 C ATOM 669 OH TYR A 49 -3.314 6.553 7.208 1.00 0.00 O ATOM 0 H TYR A 49 -10.158 2.825 4.608 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.336 5.338 5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.272 3.071 6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.679 3.190 4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.805 6.228 6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.396 2.920 5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.757 7.441 7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.356 4.090 6.189 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.513 6.013 7.040 1.00 0.00 H new ATOM 679 N GLY A 50 -8.467 6.607 3.741 1.00 0.00 N ATOM 680 CA GLY A 50 -8.249 7.345 2.506 1.00 0.00 C ATOM 681 C GLY A 50 -8.021 8.828 2.770 1.00 0.00 C ATOM 682 O GLY A 50 -7.879 9.245 3.917 1.00 0.00 O ATOM 0 H GLY A 50 -8.196 7.105 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.387 6.932 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.111 7.220 1.850 1.00 0.00 H new ATOM 686 N GLY A 51 -7.965 9.605 1.687 1.00 0.00 N ATOM 687 CA GLY A 51 -7.739 11.040 1.656 1.00 0.00 C ATOM 688 C GLY A 51 -7.514 11.412 0.191 1.00 0.00 C ATOM 689 O GLY A 51 -7.220 10.527 -0.611 1.00 0.00 O ATOM 0 H GLY A 51 -8.085 9.218 0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.595 11.576 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.874 11.310 2.262 1.00 0.00 H new ATOM 693 N GLU A 52 -7.635 12.692 -0.178 1.00 0.00 N ATOM 694 CA GLU A 52 -7.501 13.126 -1.568 1.00 0.00 C ATOM 695 C GLU A 52 -6.232 12.575 -2.234 1.00 0.00 C ATOM 696 O GLU A 52 -6.303 11.894 -3.257 1.00 0.00 O ATOM 697 CB GLU A 52 -7.628 14.656 -1.665 1.00 0.00 C ATOM 698 CG GLU A 52 -6.598 15.453 -0.849 1.00 0.00 C ATOM 699 CD GLU A 52 -6.949 16.938 -0.840 1.00 0.00 C ATOM 700 OE1 GLU A 52 -6.482 17.637 -1.763 1.00 0.00 O ATOM 701 OE2 GLU A 52 -7.687 17.338 0.086 1.00 0.00 O ATOM 0 H GLU A 52 -7.827 13.450 0.476 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.324 12.698 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.540 14.946 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.627 14.943 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.566 15.076 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.604 15.312 -1.272 1.00 0.00 H new ATOM 708 N ARG A 53 -5.070 12.810 -1.618 1.00 0.00 N ATOM 709 CA ARG A 53 -3.787 12.342 -2.133 1.00 0.00 C ATOM 710 C ARG A 53 -3.734 10.816 -2.263 1.00 0.00 C ATOM 711 O ARG A 53 -2.943 10.278 -3.032 1.00 0.00 O ATOM 712 CB ARG A 53 -2.650 12.850 -1.233 1.00 0.00 C ATOM 713 CG ARG A 53 -2.628 12.209 0.166 1.00 0.00 C ATOM 714 CD ARG A 53 -1.436 12.746 0.959 1.00 0.00 C ATOM 715 NE ARG A 53 -1.382 12.185 2.317 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.289 12.219 3.095 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.839 12.790 2.666 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.300 11.679 4.317 1.00 0.00 N ATOM 0 H ARG A 53 -4.996 13.332 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.664 12.747 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.697 12.657 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.740 13.931 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.557 12.429 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.561 11.125 0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.512 12.508 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.499 13.833 1.018 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.223 11.745 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.878 13.208 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.662 12.809 3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.147 11.233 4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.538 11.712 4.897 1.00 0.00 H new ATOM 732 N LYS A 54 -4.569 10.121 -1.490 1.00 0.00 N ATOM 733 CA LYS A 54 -4.618 8.676 -1.420 1.00 0.00 C ATOM 734 C LYS A 54 -5.575 8.102 -2.466 1.00 0.00 C ATOM 735 O LYS A 54 -5.749 6.890 -2.505 1.00 0.00 O ATOM 736 CB LYS A 54 -5.009 8.274 0.007 1.00 0.00 C ATOM 737 CG LYS A 54 -4.190 9.089 1.021 1.00 0.00 C ATOM 738 CD LYS A 54 -4.274 8.473 2.410 1.00 0.00 C ATOM 739 CE LYS A 54 -3.485 9.258 3.459 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.445 8.512 4.730 1.00 0.00 N ATOM 0 H LYS A 54 -5.249 10.572 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.638 8.258 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.074 8.446 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.833 7.209 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.149 9.133 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.558 10.114 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.319 8.418 2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.899 7.450 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.471 9.438 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.945 10.234 3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.700 8.905 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.364 8.594 5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.243 7.510 4.538 1.00 0.00 H new ATOM 754 N ALA A 55 -6.201 8.928 -3.314 1.00 0.00 N ATOM 755 CA ALA A 55 -7.126 8.441 -4.334 1.00 0.00 C ATOM 756 C ALA A 55 -6.450 7.447 -5.288 1.00 0.00 C ATOM 757 O ALA A 55 -6.954 6.346 -5.512 1.00 0.00 O ATOM 758 CB ALA A 55 -7.718 9.627 -5.101 1.00 0.00 C ATOM 0 H ALA A 55 -6.080 9.941 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.932 7.901 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.408 9.261 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.253 10.277 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.915 10.188 -5.579 1.00 0.00 H new ATOM 764 N MET A 56 -5.299 7.831 -5.850 1.00 0.00 N ATOM 765 CA MET A 56 -4.552 6.979 -6.767 1.00 0.00 C ATOM 766 C MET A 56 -4.219 5.653 -6.078 1.00 0.00 C ATOM 767 O MET A 56 -4.479 4.578 -6.617 1.00 0.00 O ATOM 768 CB MET A 56 -3.296 7.722 -7.240 1.00 0.00 C ATOM 769 CG MET A 56 -2.509 6.912 -8.280 1.00 0.00 C ATOM 770 SD MET A 56 -0.996 7.688 -8.909 1.00 0.00 S ATOM 771 CE MET A 56 -1.678 9.144 -9.733 1.00 0.00 C ATOM 0 H MET A 56 -4.865 8.738 -5.680 1.00 0.00 H new ATOM 0 HA MET A 56 -5.151 6.747 -7.648 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.582 8.682 -7.669 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.655 7.933 -6.384 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.245 5.951 -7.839 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.166 6.706 -9.125 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.902 9.619 -10.334 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.504 8.844 -10.378 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.040 9.849 -8.985 1.00 0.00 H new ATOM 781 N MET A 57 -3.657 5.743 -4.870 1.00 0.00 N ATOM 782 CA MET A 57 -3.321 4.587 -4.058 1.00 0.00 C ATOM 783 C MET A 57 -4.553 3.706 -3.873 1.00 0.00 C ATOM 784 O MET A 57 -4.482 2.504 -4.106 1.00 0.00 O ATOM 785 CB MET A 57 -2.766 5.051 -2.711 1.00 0.00 C ATOM 786 CG MET A 57 -2.512 3.862 -1.778 1.00 0.00 C ATOM 787 SD MET A 57 -1.478 4.239 -0.351 1.00 0.00 S ATOM 788 CE MET A 57 -2.209 5.765 0.275 1.00 0.00 C ATOM 0 H MET A 57 -3.423 6.633 -4.430 1.00 0.00 H new ATOM 0 HA MET A 57 -2.555 3.995 -4.560 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.837 5.600 -2.867 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.469 5.740 -2.243 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.471 3.482 -1.426 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.042 3.062 -2.350 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.753 6.021 1.231 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.035 6.571 -0.438 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.282 5.626 0.410 1.00 0.00 H new ATOM 798 N THR A 58 -5.672 4.309 -3.461 1.00 0.00 N ATOM 799 CA THR A 58 -6.937 3.621 -3.261 1.00 0.00 C ATOM 800 C THR A 58 -7.258 2.810 -4.510 1.00 0.00 C ATOM 801 O THR A 58 -7.475 1.607 -4.407 1.00 0.00 O ATOM 802 CB THR A 58 -8.049 4.614 -2.886 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.732 5.213 -1.646 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.413 3.930 -2.764 1.00 0.00 C ATOM 0 H THR A 58 -5.718 5.307 -3.255 1.00 0.00 H new ATOM 0 HA THR A 58 -6.862 2.930 -2.421 1.00 0.00 H new ATOM 0 HB THR A 58 -8.112 5.358 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.969 5.817 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.168 4.669 -2.498 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.676 3.470 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.368 3.163 -1.991 1.00 0.00 H new ATOM 812 N ASN A 59 -7.248 3.435 -5.693 1.00 0.00 N ATOM 813 CA ASN A 59 -7.518 2.691 -6.918 1.00 0.00 C ATOM 814 C ASN A 59 -6.492 1.574 -7.106 1.00 0.00 C ATOM 815 O ASN A 59 -6.876 0.466 -7.471 1.00 0.00 O ATOM 816 CB ASN A 59 -7.549 3.605 -8.145 1.00 0.00 C ATOM 817 CG ASN A 59 -8.217 2.975 -9.377 1.00 0.00 C ATOM 818 OD1 ASN A 59 -8.648 3.708 -10.261 1.00 0.00 O ATOM 819 ND2 ASN A 59 -8.349 1.650 -9.491 1.00 0.00 N ATOM 0 H ASN A 59 -7.060 4.429 -5.823 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.508 2.245 -6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.077 4.523 -7.888 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.528 3.886 -8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.807 1.252 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.992 1.037 -8.758 1.00 0.00 H new ATOM 826 N ALA A 60 -5.204 1.843 -6.873 1.00 0.00 N ATOM 827 CA ALA A 60 -4.162 0.836 -7.038 1.00 0.00 C ATOM 828 C ALA A 60 -4.475 -0.400 -6.191 1.00 0.00 C ATOM 829 O ALA A 60 -4.494 -1.516 -6.706 1.00 0.00 O ATOM 830 CB ALA A 60 -2.781 1.416 -6.714 1.00 0.00 C ATOM 0 H ALA A 60 -4.861 2.754 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.141 0.525 -8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.022 0.644 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.570 2.250 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.767 1.767 -5.682 1.00 0.00 H new ATOM 836 N VAL A 61 -4.755 -0.209 -4.900 1.00 0.00 N ATOM 837 CA VAL A 61 -5.071 -1.326 -4.022 1.00 0.00 C ATOM 838 C VAL A 61 -6.479 -1.881 -4.280 1.00 0.00 C ATOM 839 O VAL A 61 -6.721 -3.047 -3.985 1.00 0.00 O ATOM 840 CB VAL A 61 -4.824 -0.978 -2.546 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.359 -0.594 -2.301 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.730 0.139 -2.031 1.00 0.00 C ATOM 0 H VAL A 61 -4.768 0.704 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.381 -2.135 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.065 -1.884 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.217 -0.353 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.714 -1.429 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.104 0.274 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.505 0.336 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.560 1.044 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.772 -0.165 -2.127 1.00 0.00 H new ATOM 852 N LYS A 62 -7.406 -1.096 -4.847 1.00 0.00 N ATOM 853 CA LYS A 62 -8.760 -1.554 -5.163 1.00 0.00 C ATOM 854 C LYS A 62 -8.697 -2.809 -6.036 1.00 0.00 C ATOM 855 O LYS A 62 -9.552 -3.684 -5.936 1.00 0.00 O ATOM 856 CB LYS A 62 -9.545 -0.445 -5.888 1.00 0.00 C ATOM 857 CG LYS A 62 -11.051 -0.715 -6.045 1.00 0.00 C ATOM 858 CD LYS A 62 -11.862 -0.568 -4.749 1.00 0.00 C ATOM 859 CE LYS A 62 -11.834 0.866 -4.197 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.812 1.042 -3.110 1.00 0.00 N ATOM 0 H LYS A 62 -7.234 -0.123 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.274 -1.794 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.413 0.489 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.111 -0.300 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.454 -0.030 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.188 -1.725 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.895 -0.862 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.467 -1.251 -3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.834 1.097 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.049 1.571 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.841 2.043 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.754 0.747 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.533 0.460 -2.294 1.00 0.00 H new ATOM 874 N LYS A 63 -7.685 -2.895 -6.906 1.00 0.00 N ATOM 875 CA LYS A 63 -7.486 -4.003 -7.795 1.00 0.00 C ATOM 876 C LYS A 63 -7.180 -5.311 -7.044 1.00 0.00 C ATOM 877 O LYS A 63 -7.344 -6.395 -7.600 1.00 0.00 O ATOM 878 CB LYS A 63 -6.302 -3.639 -8.694 1.00 0.00 C ATOM 879 CG LYS A 63 -6.352 -2.273 -9.398 1.00 0.00 C ATOM 880 CD LYS A 63 -7.696 -1.930 -10.057 1.00 0.00 C ATOM 881 CE LYS A 63 -8.107 -2.918 -11.158 1.00 0.00 C ATOM 882 NZ LYS A 63 -7.114 -2.976 -12.245 1.00 0.00 N ATOM 0 H LYS A 63 -6.974 -2.169 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.399 -4.179 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.395 -3.676 -8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.208 -4.410 -9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.113 -1.497 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.573 -2.246 -10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.472 -1.908 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.638 -0.928 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.231 -3.911 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.074 -2.625 -11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.476 -3.575 -13.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.939 -2.017 -12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.225 -3.377 -11.882 1.00 0.00 H new ATOM 896 N ALA A 64 -6.688 -5.214 -5.804 1.00 0.00 N ATOM 897 CA ALA A 64 -6.236 -6.334 -5.000 1.00 0.00 C ATOM 898 C ALA A 64 -7.381 -7.024 -4.259 1.00 0.00 C ATOM 899 O ALA A 64 -8.180 -6.375 -3.587 1.00 0.00 O ATOM 900 CB ALA A 64 -5.216 -5.805 -3.987 1.00 0.00 C ATOM 0 H ALA A 64 -6.594 -4.319 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.794 -7.079 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.858 -6.627 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.375 -5.358 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.688 -5.053 -3.355 1.00 0.00 H new ATOM 906 N SER A 65 -7.440 -8.354 -4.357 1.00 0.00 N ATOM 907 CA SER A 65 -8.370 -9.166 -3.590 1.00 0.00 C ATOM 908 C SER A 65 -7.836 -9.275 -2.154 1.00 0.00 C ATOM 909 O SER A 65 -6.721 -8.835 -1.882 1.00 0.00 O ATOM 910 CB SER A 65 -8.467 -10.542 -4.254 1.00 0.00 C ATOM 911 OG SER A 65 -7.188 -11.153 -4.286 1.00 0.00 O ATOM 0 H SER A 65 -6.837 -8.895 -4.977 1.00 0.00 H new ATOM 0 HA SER A 65 -9.366 -8.723 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.167 -11.172 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.857 -10.440 -5.267 1.00 0.00 H new ATOM 0 HG SER A 65 -7.291 -12.128 -4.285 1.00 0.00 H new ATOM 917 N ASP A 66 -8.586 -9.882 -1.226 1.00 0.00 N ATOM 918 CA ASP A 66 -8.120 -10.031 0.152 1.00 0.00 C ATOM 919 C ASP A 66 -6.763 -10.740 0.198 1.00 0.00 C ATOM 920 O ASP A 66 -5.846 -10.296 0.886 1.00 0.00 O ATOM 921 CB ASP A 66 -9.162 -10.763 1.002 1.00 0.00 C ATOM 922 CG ASP A 66 -8.681 -10.891 2.445 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.526 -9.832 3.095 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.465 -12.045 2.871 1.00 0.00 O ATOM 0 H ASP A 66 -9.510 -10.274 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.986 -9.036 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.108 -10.222 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.349 -11.753 0.586 1.00 0.00 H new ATOM 929 N GLU A 67 -6.638 -11.838 -0.549 1.00 0.00 N ATOM 930 CA GLU A 67 -5.436 -12.618 -0.683 1.00 0.00 C ATOM 931 C GLU A 67 -4.260 -11.724 -1.073 1.00 0.00 C ATOM 932 O GLU A 67 -3.212 -11.714 -0.425 1.00 0.00 O ATOM 933 CB GLU A 67 -5.674 -13.710 -1.738 1.00 0.00 C ATOM 934 CG GLU A 67 -7.040 -14.417 -1.723 1.00 0.00 C ATOM 935 CD GLU A 67 -8.079 -13.671 -2.554 1.00 0.00 C ATOM 936 OE1 GLU A 67 -7.997 -13.755 -3.799 1.00 0.00 O ATOM 937 OE2 GLU A 67 -8.892 -12.963 -1.920 1.00 0.00 O ATOM 0 H GLU A 67 -7.413 -12.213 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.189 -13.086 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.535 -13.264 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.900 -14.468 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.928 -15.431 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.392 -14.504 -0.695 1.00 0.00 H new ATOM 944 N GLU A 68 -4.456 -10.962 -2.147 1.00 0.00 N ATOM 945 CA GLU A 68 -3.454 -10.047 -2.639 1.00 0.00 C ATOM 946 C GLU A 68 -3.135 -8.999 -1.576 1.00 0.00 C ATOM 947 O GLU A 68 -1.967 -8.720 -1.364 1.00 0.00 O ATOM 948 CB GLU A 68 -3.941 -9.391 -3.927 1.00 0.00 C ATOM 949 CG GLU A 68 -3.964 -10.339 -5.134 1.00 0.00 C ATOM 950 CD GLU A 68 -2.595 -10.510 -5.794 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.582 -10.127 -5.169 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.572 -11.011 -6.941 1.00 0.00 O ATOM 0 H GLU A 68 -5.317 -10.969 -2.694 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.538 -10.596 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.945 -8.998 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.298 -8.541 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.330 -11.315 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.671 -9.960 -5.872 1.00 0.00 H new ATOM 959 N LEU A 69 -4.139 -8.421 -0.910 1.00 0.00 N ATOM 960 CA LEU A 69 -3.927 -7.424 0.134 1.00 0.00 C ATOM 961 C LEU A 69 -3.048 -7.994 1.248 1.00 0.00 C ATOM 962 O LEU A 69 -2.102 -7.335 1.682 1.00 0.00 O ATOM 963 CB LEU A 69 -5.266 -6.905 0.682 1.00 0.00 C ATOM 964 CG LEU A 69 -6.005 -6.017 -0.333 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.484 -5.889 0.041 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.389 -4.614 -0.397 1.00 0.00 C ATOM 0 H LEU A 69 -5.121 -8.634 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.404 -6.573 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.899 -7.751 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.087 -6.338 1.596 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.910 -6.493 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.990 -5.257 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.945 -6.877 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.572 -5.442 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.933 -4.010 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.451 -4.144 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.344 -4.689 -0.698 1.00 0.00 H new ATOM 978 N LYS A 70 -3.335 -9.218 1.703 1.00 0.00 N ATOM 979 CA LYS A 70 -2.519 -9.874 2.711 1.00 0.00 C ATOM 980 C LYS A 70 -1.092 -10.018 2.181 1.00 0.00 C ATOM 981 O LYS A 70 -0.130 -9.725 2.888 1.00 0.00 O ATOM 982 CB LYS A 70 -3.132 -11.235 3.043 1.00 0.00 C ATOM 983 CG LYS A 70 -4.459 -11.070 3.794 1.00 0.00 C ATOM 984 CD LYS A 70 -5.360 -12.301 3.650 1.00 0.00 C ATOM 985 CE LYS A 70 -4.631 -13.617 3.921 1.00 0.00 C ATOM 986 NZ LYS A 70 -4.106 -13.680 5.296 1.00 0.00 N ATOM 0 H LYS A 70 -4.131 -9.770 1.383 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.487 -9.282 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.297 -11.798 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.436 -11.813 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.257 -10.890 4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.982 -10.192 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.200 -12.210 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.774 -12.324 2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.313 -14.451 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.810 -13.730 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.633 -14.594 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.423 -12.909 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.890 -13.581 5.972 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.947 -10.452 0.926 1.00 0.00 N ATOM 1001 CA ALA A 71 0.364 -10.585 0.310 1.00 0.00 C ATOM 1002 C ALA A 71 1.066 -9.231 0.166 1.00 0.00 C ATOM 1003 O ALA A 71 2.284 -9.158 0.295 1.00 0.00 O ATOM 1004 CB ALA A 71 0.236 -11.297 -1.037 1.00 0.00 C ATOM 0 H ALA A 71 -1.725 -10.716 0.321 1.00 0.00 H new ATOM 0 HA ALA A 71 0.990 -11.191 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.221 -11.393 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.192 -12.288 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.413 -10.718 -1.694 1.00 0.00 H new ATOM 1010 N LEU A 72 0.320 -8.154 -0.091 1.00 0.00 N ATOM 1011 CA LEU A 72 0.835 -6.807 -0.215 1.00 0.00 C ATOM 1012 C LEU A 72 1.437 -6.451 1.140 1.00 0.00 C ATOM 1013 O LEU A 72 2.605 -6.085 1.234 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.344 -5.901 -0.620 1.00 0.00 C ATOM 1015 CG LEU A 72 -0.054 -4.730 -1.564 1.00 0.00 C ATOM 1016 CD1 LEU A 72 0.601 -5.149 -2.883 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -1.412 -4.101 -1.920 1.00 0.00 C ATOM 0 H LEU A 72 -0.690 -8.207 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 72 1.609 -6.691 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.103 -6.528 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.783 -5.495 0.291 1.00 0.00 H new ATOM 0 HG LEU A 72 0.635 -4.057 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.776 -4.267 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.551 -5.642 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.057 -5.837 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.257 -3.258 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.041 -4.845 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.901 -3.753 -1.010 1.00 0.00 H new ATOM 1029 N ALA A 73 0.644 -6.617 2.200 1.00 0.00 N ATOM 1030 CA ALA A 73 1.102 -6.391 3.562 1.00 0.00 C ATOM 1031 C ALA A 73 2.366 -7.197 3.845 1.00 0.00 C ATOM 1032 O ALA A 73 3.363 -6.646 4.307 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.007 -6.754 4.542 1.00 0.00 C ATOM 0 H ALA A 73 -0.330 -6.911 2.134 1.00 0.00 H new ATOM 0 HA ALA A 73 1.347 -5.336 3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.338 -6.584 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.882 -6.134 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.272 -7.804 4.419 1.00 0.00 H new ATOM 1039 N ASP A 74 2.329 -8.501 3.562 1.00 0.00 N ATOM 1040 CA ASP A 74 3.476 -9.379 3.745 1.00 0.00 C ATOM 1041 C ASP A 74 4.710 -8.812 3.033 1.00 0.00 C ATOM 1042 O ASP A 74 5.763 -8.684 3.649 1.00 0.00 O ATOM 1043 CB ASP A 74 3.137 -10.790 3.255 1.00 0.00 C ATOM 1044 CG ASP A 74 4.309 -11.745 3.438 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.771 -11.870 4.592 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.724 -12.335 2.416 1.00 0.00 O ATOM 0 H ASP A 74 1.501 -8.973 3.200 1.00 0.00 H new ATOM 0 HA ASP A 74 3.714 -9.439 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.272 -11.167 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.859 -10.753 2.202 1.00 0.00 H new ATOM 1051 N TYR A 75 4.575 -8.451 1.752 1.00 0.00 N ATOM 1052 CA TYR A 75 5.644 -7.871 0.948 1.00 0.00 C ATOM 1053 C TYR A 75 6.235 -6.645 1.656 1.00 0.00 C ATOM 1054 O TYR A 75 7.427 -6.615 1.960 1.00 0.00 O ATOM 1055 CB TYR A 75 5.094 -7.543 -0.452 1.00 0.00 C ATOM 1056 CG TYR A 75 6.085 -6.990 -1.460 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.436 -5.626 -1.428 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.497 -7.786 -2.547 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.198 -5.065 -2.466 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.248 -7.219 -3.592 1.00 0.00 C ATOM 1061 CZ TYR A 75 7.590 -5.858 -3.557 1.00 0.00 C ATOM 1062 OH TYR A 75 8.276 -5.305 -4.597 1.00 0.00 O ATOM 0 H TYR A 75 3.700 -8.558 1.240 1.00 0.00 H new ATOM 0 HA TYR A 75 6.461 -8.583 0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.657 -8.451 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.284 -6.822 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.118 -5.009 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.236 -8.833 -2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.482 -4.024 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.562 -7.832 -4.424 1.00 0.00 H new ATOM 0 HH TYR A 75 7.750 -4.574 -4.984 1.00 0.00 H new ATOM 1072 N MET A 76 5.404 -5.637 1.946 1.00 0.00 N ATOM 1073 CA MET A 76 5.808 -4.425 2.621 1.00 0.00 C ATOM 1074 C MET A 76 6.465 -4.732 3.968 1.00 0.00 C ATOM 1075 O MET A 76 7.383 -4.035 4.399 1.00 0.00 O ATOM 1076 CB MET A 76 4.541 -3.606 2.831 1.00 0.00 C ATOM 1077 CG MET A 76 3.864 -3.090 1.564 1.00 0.00 C ATOM 1078 SD MET A 76 4.828 -2.245 0.301 1.00 0.00 S ATOM 1079 CE MET A 76 3.777 -2.775 -1.070 1.00 0.00 C ATOM 0 H MET A 76 4.412 -5.654 1.707 1.00 0.00 H new ATOM 0 HA MET A 76 6.544 -3.884 2.026 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.824 -4.216 3.380 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.784 -2.752 3.464 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.381 -3.942 1.086 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.072 -2.409 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.839 -2.047 -1.879 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.113 -3.747 -1.431 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.745 -2.851 -0.729 1.00 0.00 H new ATOM 1089 N SER A 77 5.975 -5.777 4.631 1.00 0.00 N ATOM 1090 CA SER A 77 6.467 -6.223 5.923 1.00 0.00 C ATOM 1091 C SER A 77 7.721 -7.100 5.826 1.00 0.00 C ATOM 1092 O SER A 77 8.091 -7.687 6.844 1.00 0.00 O ATOM 1093 CB SER A 77 5.356 -6.960 6.677 1.00 0.00 C ATOM 1094 OG SER A 77 5.704 -7.110 8.043 1.00 0.00 O ATOM 0 H SER A 77 5.208 -6.347 4.273 1.00 0.00 H new ATOM 0 HA SER A 77 6.762 -5.330 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.421 -6.407 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.190 -7.939 6.227 1.00 0.00 H new ATOM 0 HG SER A 77 6.644 -7.379 8.114 1.00 0.00 H new ATOM 1100 N LYS A 78 8.363 -7.228 4.658 1.00 0.00 N ATOM 1101 CA LYS A 78 9.580 -8.011 4.503 1.00 0.00 C ATOM 1102 C LYS A 78 10.455 -7.250 3.514 1.00 0.00 C ATOM 1103 O LYS A 78 11.094 -7.838 2.643 1.00 0.00 O ATOM 1104 CB LYS A 78 9.242 -9.412 3.983 1.00 0.00 C ATOM 1105 CG LYS A 78 8.452 -10.248 4.996 1.00 0.00 C ATOM 1106 CD LYS A 78 8.364 -11.732 4.608 1.00 0.00 C ATOM 1107 CE LYS A 78 7.811 -11.956 3.193 1.00 0.00 C ATOM 1108 NZ LYS A 78 8.866 -11.929 2.164 1.00 0.00 N ATOM 0 H LYS A 78 8.046 -6.787 3.795 1.00 0.00 H new ATOM 0 HA LYS A 78 10.100 -8.143 5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.664 -9.323 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.165 -9.933 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.922 -10.161 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.445 -9.841 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.356 -12.179 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.729 -12.251 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.296 -12.916 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.071 -11.188 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.660 -11.178 1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.785 -11.744 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.898 -12.847 1.676 1.00 0.00 H new ATOM 1122 N LEU A 79 10.431 -5.927 3.653 1.00 0.00 N ATOM 1123 CA LEU A 79 11.074 -4.980 2.795 1.00 0.00 C ATOM 1124 C LEU A 79 12.083 -4.193 3.627 1.00 0.00 C ATOM 1125 O LEU A 79 13.223 -4.019 3.146 1.00 0.00 O ATOM 1126 CB LEU A 79 9.941 -4.091 2.261 1.00 0.00 C ATOM 1127 CG LEU A 79 10.063 -3.901 0.756 1.00 0.00 C ATOM 1128 CD1 LEU A 79 8.893 -3.077 0.211 1.00 0.00 C ATOM 1129 CD2 LEU A 79 11.385 -3.219 0.428 1.00 0.00 C ATOM 1130 OXT LEU A 79 11.693 -3.769 4.739 1.00 0.00 O ATOM 0 H LEU A 79 9.928 -5.478 4.418 1.00 0.00 H new ATOM 0 HA LEU A 79 11.621 -5.430 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.977 -4.542 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.970 -3.121 2.758 1.00 0.00 H new ATOM 0 HG LEU A 79 10.036 -4.881 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.004 -2.956 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.956 -3.591 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.885 -2.097 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.468 -3.085 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.424 -2.246 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.211 -3.837 0.781 1.00 0.00 H new