USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 26 THR OG1 : rot 128:sc= 1.56 USER MOD Set 1.2: A 29 SER OG : rot 59:sc= 0.758 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -170:sc= -7.86! (180deg=-4.26) USER MOD Set 2.2: A 47 ASN : amide:sc= -5.27! C(o=-13!,f=-19!) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.132 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0167 (180deg=-0.364) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= 0.351 (180deg=0.0646) USER MOD Single : A 10 SER OG : rot 81:sc= -0.986! USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 0.161 (180deg=-0.388) USER MOD Single : A 41 THR OG1 : rot 32:sc= 0.251 USER MOD Single : A 46 MET CE :methyl -155:sc= -0.273 (180deg=-1.36) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.2! C(o=-6!,f=-1.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.743 K(o=-0.74,f=-3!) USER MOD Single : A 65 SER OG : rot 111:sc= -1.59! USER MOD Single : A 66 THR OG1 : rot -97:sc= -2.27 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.53 F(o=-5.2!,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.857 -4.086 7.081 1.00 1.00 N ATOM 2 CA ALA A 1 -9.964 -4.200 5.599 1.00 1.00 C ATOM 3 C ALA A 1 -10.180 -5.668 5.219 1.00 1.00 C ATOM 4 O ALA A 1 -9.993 -6.564 6.042 1.00 1.00 O ATOM 5 CB ALA A 1 -8.679 -3.661 4.954 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.702 -3.609 7.454 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.783 -5.036 7.498 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.011 -3.534 7.326 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.810 -3.615 5.239 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.754 -3.743 3.870 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.544 -2.615 5.230 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.825 -4.242 5.303 1.00 1.00 H new ATOM 13 N LYS A 2 -10.572 -5.898 3.971 1.00 1.00 N ATOM 14 CA LYS A 2 -10.809 -7.252 3.486 1.00 1.00 C ATOM 15 C LYS A 2 -9.489 -7.942 3.172 1.00 1.00 C ATOM 16 O LYS A 2 -8.511 -7.293 2.815 1.00 1.00 O ATOM 17 CB LYS A 2 -11.679 -7.215 2.230 1.00 1.00 C ATOM 18 CG LYS A 2 -13.083 -6.733 2.592 1.00 1.00 C ATOM 19 CD LYS A 2 -13.941 -6.664 1.327 1.00 1.00 C ATOM 20 CE LYS A 2 -15.334 -6.144 1.683 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.035 -7.146 2.535 1.00 1.00 N ATOM 0 H LYS A 2 -10.732 -5.166 3.279 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.325 -7.812 4.266 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.236 -6.551 1.488 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.729 -8.207 1.781 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.536 -7.411 3.315 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.032 -5.752 3.063 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.473 -6.008 0.593 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -14.015 -7.651 0.871 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.255 -5.194 2.211 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.908 -5.958 0.775 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.055 -6.944 2.541 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.873 -8.100 2.153 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -15.666 -7.095 3.506 1.00 1.00 H new ATOM 35 N LYS A 3 -9.470 -9.260 3.308 1.00 1.00 N ATOM 36 CA LYS A 3 -8.260 -10.026 3.044 1.00 1.00 C ATOM 37 C LYS A 3 -7.826 -9.867 1.594 1.00 1.00 C ATOM 38 O LYS A 3 -6.634 -9.773 1.298 1.00 1.00 O ATOM 39 CB LYS A 3 -8.508 -11.504 3.334 1.00 1.00 C ATOM 40 CG LYS A 3 -8.813 -11.688 4.820 1.00 1.00 C ATOM 41 CD LYS A 3 -8.890 -13.182 5.154 1.00 1.00 C ATOM 42 CE LYS A 3 -10.099 -13.818 4.462 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.404 -15.128 5.108 1.00 1.00 N ATOM 0 H LYS A 3 -10.273 -9.819 3.598 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.470 -9.649 3.693 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.341 -11.869 2.733 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.633 -12.092 3.056 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.039 -11.211 5.421 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.756 -11.201 5.070 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.975 -13.681 4.834 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -8.967 -13.317 6.233 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.962 -13.156 4.531 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.892 -13.962 3.402 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.225 -15.563 4.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.581 -15.758 5.020 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.619 -14.977 6.114 1.00 1.00 H new ATOM 57 N GLU A 4 -8.798 -9.847 0.690 1.00 1.00 N ATOM 58 CA GLU A 4 -8.499 -9.711 -0.727 1.00 1.00 C ATOM 59 C GLU A 4 -7.693 -8.440 -0.986 1.00 1.00 C ATOM 60 O GLU A 4 -6.697 -8.462 -1.709 1.00 1.00 O ATOM 61 CB GLU A 4 -9.808 -9.671 -1.530 1.00 1.00 C ATOM 62 CG GLU A 4 -10.544 -8.352 -1.262 1.00 1.00 C ATOM 63 CD GLU A 4 -11.982 -8.439 -1.761 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.306 -9.417 -2.414 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.742 -7.525 -1.481 1.00 1.00 O ATOM 0 H GLU A 4 -9.791 -9.923 0.911 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.905 -10.568 -1.043 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.595 -9.769 -2.594 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.441 -10.514 -1.253 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.535 -8.133 -0.194 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.028 -7.532 -1.760 1.00 1.00 H new ATOM 72 N THR A 5 -8.139 -7.333 -0.399 1.00 1.00 N ATOM 73 CA THR A 5 -7.460 -6.056 -0.577 1.00 1.00 C ATOM 74 C THR A 5 -6.093 -6.071 0.099 1.00 1.00 C ATOM 75 O THR A 5 -5.109 -5.588 -0.454 1.00 1.00 O ATOM 76 CB THR A 5 -8.310 -4.918 -0.007 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.665 -5.104 -0.395 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.811 -3.591 -0.580 1.00 1.00 C ATOM 0 H THR A 5 -8.963 -7.295 0.201 1.00 1.00 H new ATOM 0 HA THR A 5 -7.318 -5.894 -1.645 1.00 1.00 H new ATOM 0 HB THR A 5 -8.234 -4.911 1.080 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.212 -4.378 -0.030 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.411 -2.773 -0.180 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.767 -3.445 -0.303 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.899 -3.608 -1.666 1.00 1.00 H new ATOM 86 N ILE A 6 -6.047 -6.632 1.302 1.00 1.00 N ATOM 87 CA ILE A 6 -4.805 -6.709 2.060 1.00 1.00 C ATOM 88 C ILE A 6 -3.758 -7.516 1.299 1.00 1.00 C ATOM 89 O ILE A 6 -2.594 -7.125 1.230 1.00 1.00 O ATOM 90 CB ILE A 6 -5.073 -7.376 3.418 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.916 -6.440 4.293 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.747 -7.688 4.122 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.416 -7.203 5.526 1.00 1.00 C ATOM 0 H ILE A 6 -6.855 -7.040 1.773 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.427 -5.698 2.210 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.615 -8.308 3.256 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.322 -5.580 4.601 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.762 -6.055 3.723 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.948 -8.160 5.084 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.156 -8.363 3.503 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.193 -6.763 4.281 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.015 -6.537 6.148 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.025 -8.049 5.208 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.563 -7.566 6.100 1.00 1.00 H new ATOM 105 N ASP A 7 -4.173 -8.638 0.733 1.00 1.00 N ATOM 106 CA ASP A 7 -3.247 -9.477 -0.012 1.00 1.00 C ATOM 107 C ASP A 7 -2.703 -8.717 -1.211 1.00 1.00 C ATOM 108 O ASP A 7 -1.533 -8.849 -1.569 1.00 1.00 O ATOM 109 CB ASP A 7 -3.964 -10.739 -0.490 1.00 1.00 C ATOM 110 CG ASP A 7 -2.949 -11.779 -0.951 1.00 1.00 C ATOM 111 OD1 ASP A 7 -1.795 -11.661 -0.576 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.343 -12.681 -1.672 1.00 1.00 O ATOM 0 H ASP A 7 -5.131 -8.986 0.773 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.419 -9.755 0.640 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.573 -11.147 0.316 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -4.641 -10.494 -1.308 1.00 1.00 H new ATOM 117 N LYS A 8 -3.567 -7.928 -1.827 1.00 1.00 N ATOM 118 CA LYS A 8 -3.175 -7.144 -2.993 1.00 1.00 C ATOM 119 C LYS A 8 -2.158 -6.073 -2.618 1.00 1.00 C ATOM 120 O LYS A 8 -1.147 -5.901 -3.295 1.00 1.00 O ATOM 121 CB LYS A 8 -4.414 -6.474 -3.603 1.00 1.00 C ATOM 122 CG LYS A 8 -5.259 -7.503 -4.369 1.00 1.00 C ATOM 123 CD LYS A 8 -4.729 -7.679 -5.810 1.00 1.00 C ATOM 124 CE LYS A 8 -5.368 -6.640 -6.741 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.885 -6.858 -8.136 1.00 1.00 N ATOM 0 H LYS A 8 -4.540 -7.811 -1.544 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.718 -7.817 -3.718 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.013 -6.017 -2.815 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.108 -5.673 -4.276 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.236 -8.460 -3.848 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.300 -7.179 -4.396 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.644 -7.570 -5.822 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.953 -8.684 -6.167 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.454 -6.722 -6.704 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.113 -5.633 -6.410 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.559 -6.437 -8.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.954 -6.411 -8.255 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.805 -7.878 -8.320 1.00 1.00 H new ATOM 139 N VAL A 9 -2.436 -5.354 -1.537 1.00 1.00 N ATOM 140 CA VAL A 9 -1.544 -4.291 -1.092 1.00 1.00 C ATOM 141 C VAL A 9 -0.168 -4.851 -0.765 1.00 1.00 C ATOM 142 O VAL A 9 0.854 -4.292 -1.165 1.00 1.00 O ATOM 143 CB VAL A 9 -2.123 -3.613 0.152 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.124 -2.587 0.691 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.430 -2.908 -0.212 1.00 1.00 C ATOM 0 H VAL A 9 -3.265 -5.486 -0.957 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.448 -3.562 -1.897 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.316 -4.366 0.916 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.539 -2.106 1.577 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.193 -3.089 0.953 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.928 -1.834 -0.073 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.842 -2.425 0.674 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.237 -2.157 -0.978 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.144 -3.639 -0.592 1.00 1.00 H new ATOM 155 N SER A 10 -0.147 -5.952 -0.030 1.00 1.00 N ATOM 156 CA SER A 10 1.111 -6.573 0.350 1.00 1.00 C ATOM 157 C SER A 10 1.908 -6.989 -0.882 1.00 1.00 C ATOM 158 O SER A 10 3.117 -6.788 -0.941 1.00 1.00 O ATOM 159 CB SER A 10 0.843 -7.811 1.207 1.00 1.00 C ATOM 160 OG SER A 10 -0.023 -7.464 2.277 1.00 1.00 O ATOM 0 H SER A 10 -0.980 -6.430 0.313 1.00 1.00 H new ATOM 0 HA SER A 10 1.689 -5.843 0.917 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.393 -8.597 0.600 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.781 -8.207 1.597 1.00 1.00 H new ATOM 0 HG SER A 10 -0.949 -7.447 1.956 1.00 1.00 H new ATOM 166 N ASP A 11 1.218 -7.571 -1.859 1.00 1.00 N ATOM 167 CA ASP A 11 1.870 -8.036 -3.081 1.00 1.00 C ATOM 168 C ASP A 11 2.660 -6.916 -3.735 1.00 1.00 C ATOM 169 O ASP A 11 3.807 -7.107 -4.135 1.00 1.00 O ATOM 170 CB ASP A 11 0.823 -8.554 -4.069 1.00 1.00 C ATOM 171 CG ASP A 11 1.503 -9.314 -5.204 1.00 1.00 C ATOM 172 OD1 ASP A 11 2.495 -9.974 -4.941 1.00 1.00 O ATOM 173 OD2 ASP A 11 1.021 -9.226 -6.322 1.00 1.00 O ATOM 0 H ASP A 11 0.211 -7.732 -1.829 1.00 1.00 H new ATOM 0 HA ASP A 11 2.555 -8.840 -2.812 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.118 -9.207 -3.555 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.249 -7.720 -4.472 1.00 1.00 H new ATOM 178 N ILE A 12 2.054 -5.744 -3.834 1.00 1.00 N ATOM 179 CA ILE A 12 2.728 -4.615 -4.447 1.00 1.00 C ATOM 180 C ILE A 12 4.098 -4.425 -3.807 1.00 1.00 C ATOM 181 O ILE A 12 5.092 -4.212 -4.502 1.00 1.00 O ATOM 182 CB ILE A 12 1.862 -3.339 -4.269 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.866 -3.180 -5.433 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.738 -2.084 -4.190 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.278 -4.179 -5.289 1.00 1.00 C ATOM 0 H ILE A 12 1.109 -5.552 -3.502 1.00 1.00 H new ATOM 0 HA ILE A 12 2.865 -4.802 -5.512 1.00 1.00 H new ATOM 0 HB ILE A 12 1.311 -3.453 -3.335 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.471 -2.164 -5.447 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.378 -3.337 -6.383 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.105 -1.206 -4.065 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.416 -2.166 -3.340 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.317 -1.986 -5.108 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.975 -4.056 -6.118 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.121 -5.193 -5.298 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.799 -4.002 -4.348 1.00 1.00 H new ATOM 197 N VAL A 13 4.147 -4.487 -2.494 1.00 1.00 N ATOM 198 CA VAL A 13 5.408 -4.303 -1.807 1.00 1.00 C ATOM 199 C VAL A 13 6.383 -5.418 -2.151 1.00 1.00 C ATOM 200 O VAL A 13 7.526 -5.155 -2.471 1.00 1.00 O ATOM 201 CB VAL A 13 5.172 -4.285 -0.297 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.502 -4.086 0.429 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.220 -3.143 0.054 1.00 1.00 C ATOM 0 H VAL A 13 3.344 -4.660 -1.889 1.00 1.00 H new ATOM 0 HA VAL A 13 5.838 -3.354 -2.128 1.00 1.00 H new ATOM 0 HB VAL A 13 4.732 -5.233 0.013 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.331 -4.074 1.505 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.179 -4.903 0.179 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.946 -3.139 0.121 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.050 -3.129 1.131 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.659 -2.195 -0.257 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.271 -3.290 -0.461 1.00 1.00 H new ATOM 213 N LYS A 14 5.924 -6.660 -2.074 1.00 1.00 N ATOM 214 CA LYS A 14 6.786 -7.803 -2.367 1.00 1.00 C ATOM 215 C LYS A 14 7.199 -7.814 -3.833 1.00 1.00 C ATOM 216 O LYS A 14 8.347 -8.109 -4.167 1.00 1.00 O ATOM 217 CB LYS A 14 6.050 -9.106 -2.035 1.00 1.00 C ATOM 218 CG LYS A 14 5.394 -8.996 -0.641 1.00 1.00 C ATOM 219 CD LYS A 14 5.371 -10.364 0.066 1.00 1.00 C ATOM 220 CE LYS A 14 6.701 -10.609 0.801 1.00 1.00 C ATOM 221 NZ LYS A 14 6.532 -10.276 2.242 1.00 1.00 N ATOM 0 H LYS A 14 4.968 -6.903 -1.814 1.00 1.00 H new ATOM 0 HA LYS A 14 7.684 -7.719 -1.754 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.290 -9.307 -2.790 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.748 -9.943 -2.054 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.942 -8.277 -0.032 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.377 -8.618 -0.742 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.544 -10.400 0.775 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.200 -11.155 -0.664 1.00 1.00 H new ATOM 0 HE2 LYS A 14 7.006 -11.650 0.689 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.490 -9.997 0.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 7.455 -10.026 2.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.881 -9.470 2.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 6.141 -11.098 2.745 1.00 1.00 H new ATOM 235 N GLU A 15 6.247 -7.497 -4.703 1.00 1.00 N ATOM 236 CA GLU A 15 6.505 -7.483 -6.136 1.00 1.00 C ATOM 237 C GLU A 15 7.690 -6.595 -6.468 1.00 1.00 C ATOM 238 O GLU A 15 8.500 -6.921 -7.338 1.00 1.00 O ATOM 239 CB GLU A 15 5.261 -6.999 -6.893 1.00 1.00 C ATOM 240 CG GLU A 15 4.194 -8.105 -6.915 1.00 1.00 C ATOM 241 CD GLU A 15 4.623 -9.236 -7.843 1.00 1.00 C ATOM 242 OE1 GLU A 15 5.448 -8.989 -8.705 1.00 1.00 O ATOM 243 OE2 GLU A 15 4.111 -10.333 -7.681 1.00 1.00 O ATOM 0 H GLU A 15 5.293 -7.247 -4.441 1.00 1.00 H new ATOM 0 HA GLU A 15 6.741 -8.501 -6.447 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.860 -6.105 -6.415 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.530 -6.722 -7.912 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.040 -8.491 -5.907 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.241 -7.694 -7.248 1.00 1.00 H new ATOM 250 N LYS A 16 7.802 -5.486 -5.769 1.00 1.00 N ATOM 251 CA LYS A 16 8.903 -4.571 -6.000 1.00 1.00 C ATOM 252 C LYS A 16 10.239 -5.274 -5.770 1.00 1.00 C ATOM 253 O LYS A 16 11.183 -5.099 -6.537 1.00 1.00 O ATOM 254 CB LYS A 16 8.744 -3.395 -5.064 1.00 1.00 C ATOM 255 CG LYS A 16 7.611 -2.516 -5.596 1.00 1.00 C ATOM 256 CD LYS A 16 7.181 -1.535 -4.514 1.00 1.00 C ATOM 257 CE LYS A 16 6.571 -0.269 -5.134 1.00 1.00 C ATOM 258 NZ LYS A 16 5.131 -0.501 -5.415 1.00 1.00 N ATOM 0 H LYS A 16 7.150 -5.196 -5.040 1.00 1.00 H new ATOM 0 HA LYS A 16 8.891 -4.223 -7.033 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.517 -3.739 -4.055 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.672 -2.826 -5.006 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.942 -1.975 -6.482 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.766 -3.135 -5.897 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.453 -2.009 -3.856 1.00 1.00 H new ATOM 0 HD3 LYS A 16 8.040 -1.266 -3.899 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.689 0.575 -4.454 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.096 -0.013 -6.054 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 4.758 0.285 -5.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 5.019 -1.393 -5.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 4.607 -0.558 -4.518 1.00 1.00 H new ATOM 272 N LEU A 17 10.298 -6.074 -4.709 1.00 1.00 N ATOM 273 CA LEU A 17 11.507 -6.814 -4.366 1.00 1.00 C ATOM 274 C LEU A 17 11.492 -8.183 -5.024 1.00 1.00 C ATOM 275 O LEU A 17 12.437 -8.958 -4.881 1.00 1.00 O ATOM 276 CB LEU A 17 11.583 -7.001 -2.849 1.00 1.00 C ATOM 277 CG LEU A 17 11.782 -5.651 -2.192 1.00 1.00 C ATOM 278 CD1 LEU A 17 10.576 -4.737 -2.453 1.00 1.00 C ATOM 279 CD2 LEU A 17 11.996 -5.837 -0.688 1.00 1.00 C ATOM 0 H LEU A 17 9.518 -6.226 -4.070 1.00 1.00 H new ATOM 0 HA LEU A 17 12.370 -6.250 -4.719 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.669 -7.467 -2.481 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.406 -7.668 -2.593 1.00 1.00 H new ATOM 0 HG LEU A 17 12.664 -5.177 -2.622 1.00 1.00 H new ATOM 0 HD11 LEU A 17 10.740 -3.773 -1.972 1.00 1.00 H new ATOM 0 HD12 LEU A 17 10.455 -4.592 -3.526 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.676 -5.197 -2.046 1.00 1.00 H new ATOM 0 HD21 LEU A 17 12.139 -4.864 -0.218 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.123 -6.325 -0.254 1.00 1.00 H new ATOM 0 HD23 LEU A 17 12.878 -6.454 -0.520 1.00 1.00 H new ATOM 291 N ALA A 18 10.406 -8.481 -5.720 1.00 1.00 N ATOM 292 CA ALA A 18 10.264 -9.772 -6.376 1.00 1.00 C ATOM 293 C ALA A 18 10.087 -10.867 -5.341 1.00 1.00 C ATOM 294 O ALA A 18 10.461 -12.022 -5.559 1.00 1.00 O ATOM 295 CB ALA A 18 11.493 -10.061 -7.236 1.00 1.00 C ATOM 0 H ALA A 18 9.614 -7.851 -5.845 1.00 1.00 H new ATOM 0 HA ALA A 18 9.382 -9.745 -7.016 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.377 -11.029 -7.723 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.598 -9.284 -7.994 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.382 -10.076 -6.606 1.00 1.00 H new ATOM 301 N LEU A 19 9.512 -10.493 -4.210 1.00 1.00 N ATOM 302 CA LEU A 19 9.281 -11.433 -3.125 1.00 1.00 C ATOM 303 C LEU A 19 7.908 -12.097 -3.274 1.00 1.00 C ATOM 304 O LEU A 19 7.279 -12.015 -4.329 1.00 1.00 O ATOM 305 CB LEU A 19 9.395 -10.667 -1.798 1.00 1.00 C ATOM 306 CG LEU A 19 10.814 -10.791 -1.226 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.827 -10.299 -2.275 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.906 -9.937 0.046 1.00 1.00 C ATOM 0 H LEU A 19 9.196 -9.542 -4.019 1.00 1.00 H new ATOM 0 HA LEU A 19 10.024 -12.230 -3.148 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.151 -9.617 -1.956 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.672 -11.059 -1.082 1.00 1.00 H new ATOM 0 HG LEU A 19 11.038 -11.829 -0.981 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.837 -10.385 -1.874 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.742 -10.906 -3.176 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.621 -9.257 -2.519 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.909 -10.015 0.465 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.695 -8.896 -0.199 1.00 1.00 H new ATOM 0 HD23 LEU A 19 10.179 -10.293 0.776 1.00 1.00 H new ATOM 320 N GLY A 20 7.463 -12.764 -2.211 1.00 1.00 N ATOM 321 CA GLY A 20 6.178 -13.460 -2.218 1.00 1.00 C ATOM 322 C GLY A 20 6.367 -14.938 -2.552 1.00 1.00 C ATOM 323 O GLY A 20 5.407 -15.708 -2.567 1.00 1.00 O ATOM 0 H GLY A 20 7.975 -12.837 -1.332 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.699 -13.360 -1.244 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.513 -12.999 -2.948 1.00 1.00 H new ATOM 327 N ALA A 21 7.613 -15.331 -2.811 1.00 1.00 N ATOM 328 CA ALA A 21 7.914 -16.722 -3.139 1.00 1.00 C ATOM 329 C ALA A 21 8.072 -17.548 -1.867 1.00 1.00 C ATOM 330 O ALA A 21 7.231 -18.392 -1.554 1.00 1.00 O ATOM 331 CB ALA A 21 9.203 -16.800 -3.962 1.00 1.00 C ATOM 0 H ALA A 21 8.423 -14.712 -2.800 1.00 1.00 H new ATOM 0 HA ALA A 21 7.086 -17.125 -3.723 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.419 -17.841 -4.202 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.080 -16.233 -4.885 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.028 -16.381 -3.386 1.00 1.00 H new ATOM 337 N ASP A 22 9.162 -17.304 -1.136 1.00 1.00 N ATOM 338 CA ASP A 22 9.437 -18.032 0.107 1.00 1.00 C ATOM 339 C ASP A 22 9.445 -17.080 1.299 1.00 1.00 C ATOM 340 O ASP A 22 10.115 -17.332 2.301 1.00 1.00 O ATOM 341 CB ASP A 22 10.794 -18.731 0.014 1.00 1.00 C ATOM 342 CG ASP A 22 10.998 -19.629 1.230 1.00 1.00 C ATOM 343 OD1 ASP A 22 10.039 -19.832 1.957 1.00 1.00 O ATOM 344 OD2 ASP A 22 12.106 -20.101 1.414 1.00 1.00 O ATOM 0 H ASP A 22 9.868 -16.610 -1.382 1.00 1.00 H new ATOM 0 HA ASP A 22 8.650 -18.773 0.249 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.846 -19.323 -0.900 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.592 -17.990 -0.040 1.00 1.00 H new ATOM 349 N VAL A 23 8.698 -15.983 1.186 1.00 1.00 N ATOM 350 CA VAL A 23 8.622 -14.990 2.260 1.00 1.00 C ATOM 351 C VAL A 23 7.193 -14.893 2.786 1.00 1.00 C ATOM 352 O VAL A 23 6.239 -14.813 2.013 1.00 1.00 O ATOM 353 CB VAL A 23 9.068 -13.620 1.738 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.805 -12.547 2.800 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.561 -13.659 1.405 1.00 1.00 C ATOM 0 H VAL A 23 8.137 -15.758 0.364 1.00 1.00 H new ATOM 0 HA VAL A 23 9.282 -15.301 3.070 1.00 1.00 H new ATOM 0 HB VAL A 23 8.502 -13.378 0.838 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.124 -11.576 2.423 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.740 -12.515 3.029 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.364 -12.786 3.705 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.877 -12.684 1.034 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.128 -13.906 2.303 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.744 -14.415 0.641 1.00 1.00 H new ATOM 365 N VAL A 24 7.062 -14.899 4.105 1.00 1.00 N ATOM 366 CA VAL A 24 5.755 -14.810 4.740 1.00 1.00 C ATOM 367 C VAL A 24 5.148 -13.431 4.516 1.00 1.00 C ATOM 368 O VAL A 24 5.868 -12.434 4.420 1.00 1.00 O ATOM 369 CB VAL A 24 5.880 -15.073 6.240 1.00 1.00 C ATOM 370 CG1 VAL A 24 4.499 -14.975 6.893 1.00 1.00 C ATOM 371 CG2 VAL A 24 6.454 -16.473 6.466 1.00 1.00 C ATOM 0 H VAL A 24 7.845 -14.965 4.756 1.00 1.00 H new ATOM 0 HA VAL A 24 5.104 -15.562 4.294 1.00 1.00 H new ATOM 0 HB VAL A 24 6.544 -14.332 6.685 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.588 -15.163 7.963 1.00 1.00 H new ATOM 0 HG12 VAL A 24 4.091 -13.977 6.732 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.833 -15.715 6.449 1.00 1.00 H new ATOM 0 HG21 VAL A 24 6.543 -16.661 7.536 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.790 -17.215 6.021 1.00 1.00 H new ATOM 0 HG23 VAL A 24 7.438 -16.542 6.002 1.00 1.00 H new ATOM 381 N VAL A 25 3.820 -13.378 4.431 1.00 1.00 N ATOM 382 CA VAL A 25 3.111 -12.114 4.216 1.00 1.00 C ATOM 383 C VAL A 25 2.086 -11.889 5.322 1.00 1.00 C ATOM 384 O VAL A 25 1.306 -12.784 5.653 1.00 1.00 O ATOM 385 CB VAL A 25 2.401 -12.138 2.857 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.512 -13.383 2.761 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.540 -10.880 2.703 1.00 1.00 C ATOM 0 H VAL A 25 3.212 -14.194 4.507 1.00 1.00 H new ATOM 0 HA VAL A 25 3.836 -11.300 4.232 1.00 1.00 H new ATOM 0 HB VAL A 25 3.147 -12.165 2.063 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.009 -13.397 1.794 1.00 1.00 H new ATOM 0 HG12 VAL A 25 2.126 -14.278 2.863 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.768 -13.361 3.557 1.00 1.00 H new ATOM 0 HG21 VAL A 25 1.037 -10.900 1.736 1.00 1.00 H new ATOM 0 HG22 VAL A 25 0.796 -10.849 3.499 1.00 1.00 H new ATOM 0 HG23 VAL A 25 2.174 -9.995 2.764 1.00 1.00 H new ATOM 397 N THR A 26 2.096 -10.684 5.889 1.00 1.00 N ATOM 398 CA THR A 26 1.165 -10.324 6.960 1.00 1.00 C ATOM 399 C THR A 26 0.570 -8.946 6.708 1.00 1.00 C ATOM 400 O THR A 26 1.119 -8.147 5.949 1.00 1.00 O ATOM 401 CB THR A 26 1.886 -10.338 8.312 1.00 1.00 C ATOM 402 OG1 THR A 26 3.068 -9.558 8.226 1.00 1.00 O ATOM 403 CG2 THR A 26 2.243 -11.773 8.688 1.00 1.00 C ATOM 0 H THR A 26 2.740 -9.938 5.625 1.00 1.00 H new ATOM 0 HA THR A 26 0.359 -11.057 6.977 1.00 1.00 H new ATOM 0 HB THR A 26 1.231 -9.919 9.076 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.083 -8.905 8.957 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.756 -11.780 9.650 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.332 -12.368 8.758 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.896 -12.197 7.925 1.00 1.00 H new ATOM 411 N ALA A 27 -0.562 -8.678 7.350 1.00 1.00 N ATOM 412 CA ALA A 27 -1.242 -7.400 7.200 1.00 1.00 C ATOM 413 C ALA A 27 -0.596 -6.345 8.089 1.00 1.00 C ATOM 414 O ALA A 27 -0.979 -5.181 8.064 1.00 1.00 O ATOM 415 CB ALA A 27 -2.719 -7.554 7.577 1.00 1.00 C ATOM 0 H ALA A 27 -1.027 -9.331 7.980 1.00 1.00 H new ATOM 0 HA ALA A 27 -1.161 -7.081 6.161 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -3.225 -6.595 7.464 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -3.186 -8.291 6.924 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.798 -7.886 8.612 1.00 1.00 H new ATOM 421 N ASP A 28 0.380 -6.764 8.885 1.00 1.00 N ATOM 422 CA ASP A 28 1.076 -5.850 9.795 1.00 1.00 C ATOM 423 C ASP A 28 2.563 -5.798 9.454 1.00 1.00 C ATOM 424 O ASP A 28 3.381 -5.384 10.274 1.00 1.00 O ATOM 425 CB ASP A 28 0.895 -6.322 11.240 1.00 1.00 C ATOM 426 CG ASP A 28 1.511 -7.704 11.435 1.00 1.00 C ATOM 427 OD1 ASP A 28 2.202 -8.158 10.539 1.00 1.00 O ATOM 428 OD2 ASP A 28 1.283 -8.286 12.483 1.00 1.00 O ATOM 0 H ASP A 28 0.710 -7.728 8.922 1.00 1.00 H new ATOM 0 HA ASP A 28 0.652 -4.852 9.684 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.361 -5.611 11.922 1.00 1.00 H new ATOM 0 HB3 ASP A 28 -0.166 -6.353 11.488 1.00 1.00 H new ATOM 433 N SER A 29 2.908 -6.240 8.248 1.00 1.00 N ATOM 434 CA SER A 29 4.303 -6.257 7.823 1.00 1.00 C ATOM 435 C SER A 29 4.828 -4.846 7.601 1.00 1.00 C ATOM 436 O SER A 29 6.036 -4.632 7.509 1.00 1.00 O ATOM 437 CB SER A 29 4.462 -7.085 6.538 1.00 1.00 C ATOM 438 OG SER A 29 4.628 -8.454 6.880 1.00 1.00 O ATOM 0 H SER A 29 2.247 -6.588 7.554 1.00 1.00 H new ATOM 0 HA SER A 29 4.888 -6.718 8.619 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.586 -6.961 5.901 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.323 -6.733 5.969 1.00 1.00 H new ATOM 0 HG SER A 29 3.851 -8.759 7.394 1.00 1.00 H new ATOM 444 N GLU A 30 3.918 -3.896 7.506 1.00 1.00 N ATOM 445 CA GLU A 30 4.301 -2.513 7.291 1.00 1.00 C ATOM 446 C GLU A 30 5.121 -2.378 6.014 1.00 1.00 C ATOM 447 O GLU A 30 5.702 -3.350 5.528 1.00 1.00 O ATOM 448 CB GLU A 30 5.120 -1.999 8.480 1.00 1.00 C ATOM 449 CG GLU A 30 4.306 -2.139 9.762 1.00 1.00 C ATOM 450 CD GLU A 30 5.171 -1.815 10.972 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.320 -1.462 10.774 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.672 -1.925 12.082 1.00 1.00 O ATOM 0 H GLU A 30 2.913 -4.055 7.574 1.00 1.00 H new ATOM 0 HA GLU A 30 3.392 -1.919 7.195 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.050 -2.562 8.564 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.392 -0.955 8.323 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.446 -1.469 9.731 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.917 -3.154 9.845 1.00 1.00 H new ATOM 600 N THR A 41 7.234 5.788 -1.165 1.00 1.00 N ATOM 601 CA THR A 41 5.830 6.173 -1.085 1.00 1.00 C ATOM 602 C THR A 41 5.312 6.570 -2.460 1.00 1.00 C ATOM 603 O THR A 41 4.195 6.224 -2.827 1.00 1.00 O ATOM 604 CB THR A 41 5.657 7.343 -0.111 1.00 1.00 C ATOM 605 OG1 THR A 41 6.307 7.035 1.114 1.00 1.00 O ATOM 606 CG2 THR A 41 4.168 7.590 0.147 1.00 1.00 C ATOM 0 HA THR A 41 5.258 5.319 -0.723 1.00 1.00 H new ATOM 0 HB THR A 41 6.098 8.241 -0.544 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.084 6.464 0.938 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.052 8.423 0.840 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.670 7.828 -0.793 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.720 6.695 0.578 1.00 1.00 H new ATOM 614 N VAL A 42 6.134 7.298 -3.215 1.00 1.00 N ATOM 615 CA VAL A 42 5.749 7.736 -4.554 1.00 1.00 C ATOM 616 C VAL A 42 5.545 6.535 -5.476 1.00 1.00 C ATOM 617 O VAL A 42 4.600 6.489 -6.258 1.00 1.00 O ATOM 618 CB VAL A 42 6.833 8.644 -5.137 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.464 9.027 -6.571 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.948 9.909 -4.283 1.00 1.00 C ATOM 0 H VAL A 42 7.065 7.595 -2.924 1.00 1.00 H new ATOM 0 HA VAL A 42 4.811 8.286 -4.478 1.00 1.00 H new ATOM 0 HB VAL A 42 7.787 8.117 -5.139 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.237 9.674 -6.985 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.381 8.126 -7.178 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.510 9.555 -6.573 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.720 10.558 -4.696 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.994 10.435 -4.282 1.00 1.00 H new ATOM 0 HG23 VAL A 42 7.212 9.636 -3.262 1.00 1.00 H new ATOM 630 N GLU A 43 6.450 5.573 -5.395 1.00 1.00 N ATOM 631 CA GLU A 43 6.345 4.383 -6.223 1.00 1.00 C ATOM 632 C GLU A 43 5.251 3.447 -5.695 1.00 1.00 C ATOM 633 O GLU A 43 4.511 2.843 -6.470 1.00 1.00 O ATOM 634 CB GLU A 43 7.682 3.640 -6.253 1.00 1.00 C ATOM 635 CG GLU A 43 7.641 2.556 -7.334 1.00 1.00 C ATOM 636 CD GLU A 43 7.675 3.202 -8.717 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.858 4.405 -8.784 1.00 1.00 O ATOM 638 OE2 GLU A 43 7.515 2.480 -9.688 1.00 1.00 O ATOM 0 H GLU A 43 7.257 5.592 -4.772 1.00 1.00 H new ATOM 0 HA GLU A 43 6.082 4.696 -7.233 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.494 4.339 -6.455 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.882 3.191 -5.280 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.489 1.881 -7.217 1.00 1.00 H new ATOM 0 HG3 GLU A 43 6.738 1.955 -7.225 1.00 1.00 H new ATOM 645 N ILE A 44 5.191 3.305 -4.368 1.00 1.00 N ATOM 646 CA ILE A 44 4.220 2.406 -3.738 1.00 1.00 C ATOM 647 C ILE A 44 2.784 2.875 -3.968 1.00 1.00 C ATOM 648 O ILE A 44 1.908 2.073 -4.286 1.00 1.00 O ATOM 649 CB ILE A 44 4.484 2.330 -2.223 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.855 1.673 -1.946 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.373 1.520 -1.539 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.780 0.138 -2.013 1.00 1.00 C ATOM 0 H ILE A 44 5.799 3.797 -3.713 1.00 1.00 H new ATOM 0 HA ILE A 44 4.339 1.423 -4.194 1.00 1.00 H new ATOM 0 HB ILE A 44 4.493 3.343 -1.820 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.583 2.033 -2.673 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.211 1.976 -0.961 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.566 1.470 -0.467 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.411 2.003 -1.712 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.352 0.511 -1.951 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.765 -0.284 -1.812 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.072 -0.225 -1.268 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.450 -0.167 -3.006 1.00 1.00 H new ATOM 664 N VAL A 45 2.544 4.168 -3.799 1.00 1.00 N ATOM 665 CA VAL A 45 1.205 4.707 -3.982 1.00 1.00 C ATOM 666 C VAL A 45 0.732 4.480 -5.407 1.00 1.00 C ATOM 667 O VAL A 45 -0.423 4.128 -5.643 1.00 1.00 O ATOM 668 CB VAL A 45 1.199 6.206 -3.674 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.166 6.927 -4.620 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.214 6.764 -3.862 1.00 1.00 C ATOM 0 H VAL A 45 3.251 4.856 -3.538 1.00 1.00 H new ATOM 0 HA VAL A 45 0.529 4.193 -3.299 1.00 1.00 H new ATOM 0 HB VAL A 45 1.515 6.364 -2.643 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.162 7.995 -4.400 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.173 6.532 -4.482 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.852 6.767 -5.652 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.216 7.832 -3.642 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.534 6.605 -4.892 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.900 6.253 -3.186 1.00 1.00 H new ATOM 680 N MET A 46 1.632 4.688 -6.354 1.00 1.00 N ATOM 681 CA MET A 46 1.294 4.508 -7.756 1.00 1.00 C ATOM 682 C MET A 46 0.954 3.049 -8.046 1.00 1.00 C ATOM 683 O MET A 46 0.032 2.758 -8.806 1.00 1.00 O ATOM 684 CB MET A 46 2.461 4.961 -8.644 1.00 1.00 C ATOM 685 CG MET A 46 2.559 6.501 -8.705 1.00 1.00 C ATOM 686 SD MET A 46 1.006 7.247 -9.283 1.00 1.00 S ATOM 687 CE MET A 46 0.840 6.316 -10.823 1.00 1.00 C ATOM 0 H MET A 46 2.594 4.979 -6.180 1.00 1.00 H new ATOM 0 HA MET A 46 0.419 5.118 -7.979 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.394 4.551 -8.258 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.330 4.563 -9.650 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.805 6.890 -7.717 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.372 6.788 -9.372 1.00 1.00 H new ATOM 0 HE1 MET A 46 0.240 6.888 -11.531 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.828 6.135 -11.247 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.352 5.363 -10.621 1.00 1.00 H new ATOM 697 N ASN A 47 1.696 2.133 -7.443 1.00 1.00 N ATOM 698 CA ASN A 47 1.444 0.721 -7.661 1.00 1.00 C ATOM 699 C ASN A 47 0.031 0.364 -7.199 1.00 1.00 C ATOM 700 O ASN A 47 -0.703 -0.333 -7.899 1.00 1.00 O ATOM 701 CB ASN A 47 2.488 -0.090 -6.880 1.00 1.00 C ATOM 702 CG ASN A 47 3.780 -0.200 -7.682 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.615 0.706 -7.653 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.993 -1.267 -8.395 1.00 1.00 N ATOM 0 H ASN A 47 2.467 2.340 -6.808 1.00 1.00 H new ATOM 0 HA ASN A 47 1.522 0.487 -8.723 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.687 0.388 -5.921 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.099 -1.085 -6.665 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.854 -1.357 -8.934 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.299 -2.014 -8.415 1.00 1.00 H new ATOM 711 N LEU A 48 -0.347 0.858 -6.030 1.00 1.00 N ATOM 712 CA LEU A 48 -1.679 0.598 -5.492 1.00 1.00 C ATOM 713 C LEU A 48 -2.733 1.355 -6.294 1.00 1.00 C ATOM 714 O LEU A 48 -3.768 0.803 -6.664 1.00 1.00 O ATOM 715 CB LEU A 48 -1.735 1.024 -4.019 1.00 1.00 C ATOM 716 CG LEU A 48 -0.563 0.386 -3.244 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.312 1.162 -1.955 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.902 -1.060 -2.881 1.00 1.00 C ATOM 0 H LEU A 48 0.245 1.439 -5.436 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.886 -0.470 -5.566 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.684 2.110 -3.943 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.684 0.718 -3.578 1.00 1.00 H new ATOM 0 HG LEU A 48 0.325 0.412 -3.875 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.516 0.707 -1.412 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.064 2.196 -2.195 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.209 1.138 -1.336 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.069 -1.503 -2.334 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.796 -1.079 -2.258 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.082 -1.631 -3.792 1.00 1.00 H new ATOM 730 N GLU A 49 -2.457 2.622 -6.569 1.00 1.00 N ATOM 731 CA GLU A 49 -3.391 3.438 -7.327 1.00 1.00 C ATOM 732 C GLU A 49 -3.549 2.870 -8.733 1.00 1.00 C ATOM 733 O GLU A 49 -4.655 2.816 -9.271 1.00 1.00 O ATOM 734 CB GLU A 49 -2.880 4.876 -7.403 1.00 1.00 C ATOM 735 CG GLU A 49 -3.969 5.773 -7.993 1.00 1.00 C ATOM 736 CD GLU A 49 -3.449 7.200 -8.130 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.443 7.504 -7.510 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.059 7.964 -8.858 1.00 1.00 O ATOM 0 H GLU A 49 -1.604 3.102 -6.282 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.360 3.430 -6.827 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.603 5.228 -6.409 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -1.982 4.922 -8.019 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.276 5.394 -8.968 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -4.851 5.758 -7.353 1.00 1.00 H new ATOM 745 N GLU A 50 -2.436 2.444 -9.322 1.00 1.00 N ATOM 746 CA GLU A 50 -2.463 1.877 -10.665 1.00 1.00 C ATOM 747 C GLU A 50 -3.129 0.499 -10.660 1.00 1.00 C ATOM 748 O GLU A 50 -3.948 0.195 -11.527 1.00 1.00 O ATOM 749 CB GLU A 50 -1.040 1.758 -11.217 1.00 1.00 C ATOM 750 CG GLU A 50 -1.093 1.414 -12.708 1.00 1.00 C ATOM 751 CD GLU A 50 -1.610 2.611 -13.502 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.749 3.670 -12.914 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.861 2.449 -14.685 1.00 1.00 O ATOM 0 H GLU A 50 -1.511 2.480 -8.894 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.043 2.544 -11.303 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.502 2.695 -11.069 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.492 0.987 -10.675 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.100 1.135 -13.061 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.742 0.553 -12.868 1.00 1.00 H new ATOM 760 N GLU A 51 -2.768 -0.332 -9.683 1.00 1.00 N ATOM 761 CA GLU A 51 -3.336 -1.675 -9.586 1.00 1.00 C ATOM 762 C GLU A 51 -4.837 -1.604 -9.328 1.00 1.00 C ATOM 763 O GLU A 51 -5.637 -2.119 -10.110 1.00 1.00 O ATOM 764 CB GLU A 51 -2.658 -2.442 -8.445 1.00 1.00 C ATOM 765 CG GLU A 51 -3.108 -3.905 -8.454 1.00 1.00 C ATOM 766 CD GLU A 51 -2.512 -4.623 -9.659 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.682 -4.027 -10.325 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.891 -5.758 -9.896 1.00 1.00 O ATOM 0 H GLU A 51 -2.092 -0.102 -8.955 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.165 -2.193 -10.530 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.575 -2.386 -8.552 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -2.908 -1.982 -7.489 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -2.793 -4.397 -7.534 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.196 -3.960 -8.488 1.00 1.00 H new ATOM 775 N PHE A 52 -5.211 -0.958 -8.231 1.00 1.00 N ATOM 776 CA PHE A 52 -6.619 -0.820 -7.881 1.00 1.00 C ATOM 777 C PHE A 52 -7.345 0.039 -8.909 1.00 1.00 C ATOM 778 O PHE A 52 -8.512 -0.198 -9.217 1.00 1.00 O ATOM 779 CB PHE A 52 -6.766 -0.205 -6.486 1.00 1.00 C ATOM 780 CG PHE A 52 -6.351 -1.218 -5.438 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.082 -2.408 -5.279 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.240 -0.970 -4.622 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.691 -3.343 -4.313 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.853 -1.905 -3.660 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.581 -3.088 -3.502 1.00 1.00 C ATOM 0 H PHE A 52 -4.564 -0.524 -7.572 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.068 -1.813 -7.876 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.149 0.690 -6.405 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.798 0.103 -6.320 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.944 -2.601 -5.901 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.681 -0.053 -4.737 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.247 -4.261 -4.194 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -3.991 -1.714 -3.038 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.285 -3.807 -2.752 1.00 1.00 H new ATOM 795 N GLY A 53 -6.646 1.040 -9.433 1.00 1.00 N ATOM 796 CA GLY A 53 -7.237 1.932 -10.425 1.00 1.00 C ATOM 797 C GLY A 53 -8.029 3.041 -9.747 1.00 1.00 C ATOM 798 O GLY A 53 -9.070 3.473 -10.247 1.00 1.00 O ATOM 0 H GLY A 53 -5.678 1.253 -9.191 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.452 2.365 -11.045 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.890 1.365 -11.088 1.00 1.00 H new ATOM 802 N ILE A 54 -7.528 3.500 -8.602 1.00 1.00 N ATOM 803 CA ILE A 54 -8.184 4.566 -7.840 1.00 1.00 C ATOM 804 C ILE A 54 -7.378 5.859 -7.929 1.00 1.00 C ATOM 805 O ILE A 54 -6.583 6.043 -8.851 1.00 1.00 O ATOM 806 CB ILE A 54 -8.329 4.137 -6.378 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.941 3.798 -5.804 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.249 2.914 -6.298 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.029 3.494 -4.305 1.00 1.00 C ATOM 0 H ILE A 54 -6.668 3.151 -8.179 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.172 4.746 -8.263 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.764 4.949 -5.795 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.526 2.938 -6.330 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.260 4.633 -5.971 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.355 2.606 -5.258 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.229 3.169 -6.702 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.819 2.097 -6.877 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.036 3.257 -3.923 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.422 4.364 -3.780 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.692 2.644 -4.145 1.00 1.00 H new ATOM 821 N ASN A 55 -7.593 6.758 -6.965 1.00 1.00 N ATOM 822 CA ASN A 55 -6.888 8.037 -6.930 1.00 1.00 C ATOM 823 C ASN A 55 -6.417 8.337 -5.512 1.00 1.00 C ATOM 824 O ASN A 55 -7.219 8.641 -4.628 1.00 1.00 O ATOM 825 CB ASN A 55 -7.820 9.149 -7.414 1.00 1.00 C ATOM 826 CG ASN A 55 -8.965 9.343 -6.424 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.523 8.301 -5.872 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -9.357 10.475 -6.141 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.251 6.621 -6.198 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.019 7.983 -7.585 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.262 10.079 -7.524 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.218 8.898 -8.397 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -8.920 11.289 -6.573 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -10.119 10.599 -5.474 1.00 1.00 H new ATOM 835 N VAL A 56 -5.105 8.248 -5.294 1.00 1.00 N ATOM 836 CA VAL A 56 -4.533 8.510 -3.974 1.00 1.00 C ATOM 837 C VAL A 56 -3.840 9.865 -3.960 1.00 1.00 C ATOM 838 O VAL A 56 -3.014 10.161 -4.824 1.00 1.00 O ATOM 839 CB VAL A 56 -3.514 7.424 -3.617 1.00 1.00 C ATOM 840 CG1 VAL A 56 -2.959 7.693 -2.217 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.188 6.050 -3.652 1.00 1.00 C ATOM 0 H VAL A 56 -4.422 7.998 -6.009 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.341 8.508 -3.243 1.00 1.00 H new ATOM 0 HB VAL A 56 -2.699 7.438 -4.340 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.233 6.922 -1.959 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.474 8.669 -2.199 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.774 7.680 -1.494 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.459 5.281 -3.397 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.006 6.028 -2.932 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.580 5.862 -4.652 1.00 1.00 H new ATOM 851 N ASP A 57 -4.182 10.687 -2.972 1.00 1.00 N ATOM 852 CA ASP A 57 -3.590 12.016 -2.842 1.00 1.00 C ATOM 853 C ASP A 57 -2.351 11.962 -1.953 1.00 1.00 C ATOM 854 O ASP A 57 -2.218 11.073 -1.112 1.00 1.00 O ATOM 855 CB ASP A 57 -4.614 12.986 -2.244 1.00 1.00 C ATOM 856 CG ASP A 57 -5.702 13.290 -3.268 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.492 12.993 -4.433 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.731 13.815 -2.874 1.00 1.00 O ATOM 0 H ASP A 57 -4.865 10.457 -2.250 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.297 12.366 -3.832 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.057 12.553 -1.347 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.120 13.909 -1.941 1.00 1.00 H new ATOM 863 N GLU A 58 -1.449 12.917 -2.146 1.00 1.00 N ATOM 864 CA GLU A 58 -0.226 12.970 -1.355 1.00 1.00 C ATOM 865 C GLU A 58 -0.552 13.094 0.129 1.00 1.00 C ATOM 866 O GLU A 58 0.142 12.529 0.974 1.00 1.00 O ATOM 867 CB GLU A 58 0.622 14.166 -1.799 1.00 1.00 C ATOM 868 CG GLU A 58 -0.160 15.464 -1.572 1.00 1.00 C ATOM 869 CD GLU A 58 0.620 16.650 -2.131 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.167 16.517 -3.213 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.658 17.673 -1.467 1.00 1.00 O ATOM 0 H GLU A 58 -1.540 13.660 -2.838 1.00 1.00 H new ATOM 0 HA GLU A 58 0.332 12.047 -1.512 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.557 14.190 -1.238 1.00 1.00 H new ATOM 0 HB3 GLU A 58 0.885 14.067 -2.852 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -1.135 15.400 -2.055 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.341 15.607 -0.507 1.00 1.00 H new ATOM 878 N ASP A 59 -1.608 13.837 0.439 1.00 1.00 N ATOM 879 CA ASP A 59 -2.009 14.028 1.827 1.00 1.00 C ATOM 880 C ASP A 59 -2.553 12.730 2.409 1.00 1.00 C ATOM 881 O ASP A 59 -2.565 12.541 3.624 1.00 1.00 O ATOM 882 CB ASP A 59 -3.080 15.114 1.917 1.00 1.00 C ATOM 883 CG ASP A 59 -2.465 16.478 1.627 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.251 16.548 1.528 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.215 17.432 1.509 1.00 1.00 O ATOM 0 H ASP A 59 -2.197 14.313 -0.245 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.133 14.333 2.399 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.879 14.908 1.205 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.529 15.112 2.910 1.00 1.00 H new ATOM 890 N LYS A 60 -3.005 11.838 1.533 1.00 1.00 N ATOM 891 CA LYS A 60 -3.552 10.556 1.969 1.00 1.00 C ATOM 892 C LYS A 60 -2.442 9.520 2.094 1.00 1.00 C ATOM 893 O LYS A 60 -2.529 8.596 2.902 1.00 1.00 O ATOM 894 CB LYS A 60 -4.607 10.064 0.965 1.00 1.00 C ATOM 895 CG LYS A 60 -5.517 9.013 1.628 1.00 1.00 C ATOM 896 CD LYS A 60 -6.668 9.705 2.370 1.00 1.00 C ATOM 897 CE LYS A 60 -7.607 8.652 2.958 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.713 9.335 3.683 1.00 1.00 N ATOM 0 H LYS A 60 -3.004 11.977 0.523 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.019 10.693 2.944 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.205 10.904 0.613 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.117 9.633 0.092 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -5.916 8.337 0.872 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -4.938 8.406 2.324 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.273 10.338 3.164 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.216 10.354 1.687 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.010 8.023 2.164 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.060 7.998 3.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.356 8.623 4.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.318 9.918 4.449 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.239 9.942 3.022 1.00 1.00 H new ATOM 912 N ALA A 61 -1.400 9.674 1.279 1.00 1.00 N ATOM 913 CA ALA A 61 -0.271 8.744 1.291 1.00 1.00 C ATOM 914 C ALA A 61 0.958 9.400 1.904 1.00 1.00 C ATOM 915 O ALA A 61 2.047 9.339 1.342 1.00 1.00 O ATOM 916 CB ALA A 61 0.050 8.302 -0.138 1.00 1.00 C ATOM 0 H ALA A 61 -1.314 10.433 0.603 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.545 7.877 1.892 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.892 7.609 -0.124 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.820 7.807 -0.570 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.307 9.174 -0.739 1.00 1.00 H new ATOM 922 N GLN A 62 0.774 10.035 3.061 1.00 1.00 N ATOM 923 CA GLN A 62 1.877 10.707 3.755 1.00 1.00 C ATOM 924 C GLN A 62 2.130 10.065 5.117 1.00 1.00 C ATOM 925 O GLN A 62 3.276 9.929 5.545 1.00 1.00 O ATOM 926 CB GLN A 62 1.546 12.191 3.941 1.00 1.00 C ATOM 927 CG GLN A 62 0.292 12.333 4.803 1.00 1.00 C ATOM 928 CD GLN A 62 -0.143 13.794 4.848 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.424 14.633 4.152 1.00 1.00 O ATOM 930 NE2 GLN A 62 -1.125 14.147 5.631 1.00 1.00 N ATOM 0 H GLN A 62 -0.125 10.099 3.538 1.00 1.00 H new ATOM 0 HA GLN A 62 2.777 10.606 3.149 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.384 12.704 4.413 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.388 12.663 2.971 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.511 11.718 4.397 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.491 11.972 5.812 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.594 13.448 6.208 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.424 15.122 5.666 1.00 1.00 H new ATOM 939 N ASP A 63 1.052 9.673 5.802 1.00 1.00 N ATOM 940 CA ASP A 63 1.162 9.053 7.122 1.00 1.00 C ATOM 941 C ASP A 63 0.242 7.838 7.233 1.00 1.00 C ATOM 942 O ASP A 63 -0.589 7.760 8.138 1.00 1.00 O ATOM 943 CB ASP A 63 0.796 10.076 8.200 1.00 1.00 C ATOM 944 CG ASP A 63 1.914 11.104 8.350 1.00 1.00 C ATOM 945 OD1 ASP A 63 3.000 10.847 7.859 1.00 1.00 O ATOM 946 OD2 ASP A 63 1.666 12.135 8.952 1.00 1.00 O ATOM 0 H ASP A 63 0.095 9.775 5.463 1.00 1.00 H new ATOM 0 HA ASP A 63 2.190 8.720 7.263 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -0.136 10.577 7.936 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.627 9.570 9.150 1.00 1.00 H new ATOM 951 N ILE A 64 0.402 6.891 6.313 1.00 1.00 N ATOM 952 CA ILE A 64 -0.410 5.678 6.321 1.00 1.00 C ATOM 953 C ILE A 64 0.241 4.602 7.181 1.00 1.00 C ATOM 954 O ILE A 64 1.417 4.271 7.007 1.00 1.00 O ATOM 955 CB ILE A 64 -0.593 5.162 4.891 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.384 6.194 4.059 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.316 3.812 4.909 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.786 6.442 4.641 1.00 1.00 C ATOM 0 H ILE A 64 1.083 6.939 5.556 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.385 5.918 6.744 1.00 1.00 H new ATOM 0 HB ILE A 64 0.385 5.022 4.431 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.833 7.134 4.026 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.474 5.841 3.032 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.442 3.453 3.888 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.727 3.092 5.477 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.294 3.929 5.375 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.311 7.174 4.027 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.347 5.507 4.650 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.696 6.820 5.659 1.00 1.00 H new ATOM 970 N SER A 65 -0.542 4.057 8.104 1.00 1.00 N ATOM 971 CA SER A 65 -0.056 3.010 8.989 1.00 1.00 C ATOM 972 C SER A 65 0.223 1.763 8.180 1.00 1.00 C ATOM 973 O SER A 65 0.175 1.795 6.967 1.00 1.00 O ATOM 974 CB SER A 65 -1.088 2.723 10.097 1.00 1.00 C ATOM 975 OG SER A 65 -1.371 1.329 10.155 1.00 1.00 O ATOM 0 H SER A 65 -1.515 4.323 8.258 1.00 1.00 H new ATOM 0 HA SER A 65 0.867 3.338 9.467 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.705 3.064 11.059 1.00 1.00 H new ATOM 0 HB3 SER A 65 -2.005 3.280 9.904 1.00 1.00 H new ATOM 0 HG SER A 65 -1.007 0.955 10.985 1.00 1.00 H new ATOM 981 N THR A 66 0.535 0.681 8.868 1.00 1.00 N ATOM 982 CA THR A 66 0.849 -0.576 8.215 1.00 1.00 C ATOM 983 C THR A 66 -0.162 -0.914 7.116 1.00 1.00 C ATOM 984 O THR A 66 -1.023 -0.107 6.774 1.00 1.00 O ATOM 985 CB THR A 66 0.910 -1.694 9.268 1.00 1.00 C ATOM 986 OG1 THR A 66 1.756 -2.733 8.804 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.478 -2.258 9.528 1.00 1.00 C ATOM 0 H THR A 66 0.578 0.648 9.887 1.00 1.00 H new ATOM 0 HA THR A 66 1.821 -0.481 7.730 1.00 1.00 H new ATOM 0 HB THR A 66 1.303 -1.279 10.196 1.00 1.00 H new ATOM 0 HG1 THR A 66 1.213 -3.441 8.400 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.415 -3.048 10.276 1.00 1.00 H new ATOM 0 HG22 THR A 66 -1.131 -1.465 9.892 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.884 -2.666 8.602 1.00 1.00 H new ATOM 995 N ILE A 67 -0.049 -2.118 6.566 1.00 1.00 N ATOM 996 CA ILE A 67 -0.954 -2.535 5.504 1.00 1.00 C ATOM 997 C ILE A 67 -2.399 -2.487 5.986 1.00 1.00 C ATOM 998 O ILE A 67 -3.281 -1.998 5.280 1.00 1.00 O ATOM 999 CB ILE A 67 -0.612 -3.959 5.046 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.743 -3.959 4.330 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.688 -4.465 4.082 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.259 -5.399 4.197 1.00 1.00 C ATOM 0 H ILE A 67 0.649 -2.812 6.833 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.837 -1.849 4.665 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.566 -4.611 5.918 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.644 -3.506 3.344 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.460 -3.356 4.887 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.441 -5.476 3.759 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.654 -4.471 4.586 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.736 -3.809 3.213 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.223 -5.395 3.687 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.375 -5.837 5.188 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.546 -5.989 3.621 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.636 -2.985 7.191 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.981 -2.986 7.753 1.00 1.00 C ATOM 1016 C GLN A 68 -4.666 -1.643 7.496 1.00 1.00 C ATOM 1017 O GLN A 68 -5.872 -1.587 7.267 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.911 -3.269 9.262 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.862 -4.777 9.513 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.238 -5.386 9.267 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.341 -6.545 8.678 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.252 -4.786 9.623 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.921 -3.391 7.795 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.567 -3.768 7.271 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.028 -2.793 9.688 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.779 -2.837 9.761 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.126 -5.241 8.856 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.544 -4.974 10.537 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.173 -3.879 10.084 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.171 -5.195 9.457 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.890 -0.567 7.534 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.432 0.754 7.298 1.00 1.00 C ATOM 1033 C GLN A 69 -4.562 1.030 5.804 1.00 1.00 C ATOM 1034 O GLN A 69 -5.588 1.533 5.344 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.511 1.795 7.925 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.132 3.179 7.812 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.407 3.255 8.645 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.457 2.725 9.755 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -6.447 3.883 8.170 1.00 1.00 N ATOM 0 H GLN A 69 -2.888 -0.588 7.726 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.423 0.808 7.748 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.335 1.552 8.973 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.542 1.781 7.427 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.422 3.933 8.152 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -4.357 3.400 6.769 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -6.402 4.321 7.250 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -7.305 3.936 8.719 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.512 0.716 5.045 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.545 0.967 3.607 1.00 1.00 C ATOM 1050 C ALA A 70 -4.723 0.255 2.961 1.00 1.00 C ATOM 1051 O ALA A 70 -5.424 0.826 2.126 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.250 0.482 2.958 1.00 1.00 C ATOM 0 H ALA A 70 -2.649 0.298 5.392 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.652 2.041 3.455 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.286 0.674 1.886 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.404 1.013 3.394 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.135 -0.588 3.131 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.932 -0.994 3.348 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.027 -1.775 2.795 1.00 1.00 C ATOM 1060 C ALA A 71 -7.366 -1.113 3.100 1.00 1.00 C ATOM 1061 O ALA A 71 -8.210 -0.967 2.219 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.005 -3.180 3.390 1.00 1.00 C ATOM 0 H ALA A 71 -4.363 -1.485 4.037 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.903 -1.831 1.714 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.826 -3.764 2.975 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.058 -3.663 3.148 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.115 -3.118 4.473 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.551 -0.713 4.353 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.794 -0.067 4.758 1.00 1.00 C ATOM 1070 C ASP A 72 -8.974 1.261 4.031 1.00 1.00 C ATOM 1071 O ASP A 72 -10.075 1.593 3.590 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.791 0.173 6.269 1.00 1.00 C ATOM 1073 CG ASP A 72 -10.098 0.834 6.697 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.881 1.175 5.826 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.297 0.991 7.891 1.00 1.00 O ATOM 0 H ASP A 72 -6.864 -0.823 5.099 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.622 -0.725 4.496 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.663 -0.773 6.795 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.947 0.806 6.543 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.888 2.019 3.906 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.946 3.311 3.228 1.00 1.00 C ATOM 1082 C VAL A 73 -8.355 3.127 1.765 1.00 1.00 C ATOM 1083 O VAL A 73 -9.189 3.870 1.249 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.582 4.004 3.315 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.542 5.211 2.369 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.345 4.482 4.750 1.00 1.00 C ATOM 0 H VAL A 73 -6.966 1.765 4.261 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.693 3.935 3.719 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.805 3.296 3.026 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.568 5.696 2.439 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.708 4.876 1.345 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.321 5.920 2.650 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.375 4.975 4.814 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.129 5.185 5.034 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.362 3.627 5.426 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.762 2.137 1.104 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.075 1.869 -0.296 1.00 1.00 C ATOM 1098 C ILE A 74 -9.545 1.494 -0.458 1.00 1.00 C ATOM 1099 O ILE A 74 -10.217 1.970 -1.374 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.181 0.733 -0.818 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.739 1.238 -0.960 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.690 0.232 -2.175 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.765 0.053 -1.004 1.00 1.00 C ATOM 0 H ILE A 74 -7.067 1.511 1.512 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.886 2.773 -0.875 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.210 -0.093 -0.107 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.642 1.832 -1.869 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.491 1.892 -0.124 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.046 -0.572 -2.531 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.709 -0.140 -2.067 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.677 1.052 -2.893 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.745 0.424 -1.105 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.852 -0.524 -0.083 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.005 -0.584 -1.855 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.040 0.649 0.431 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.433 0.231 0.364 1.00 1.00 C ATOM 1117 C GLU A 75 -12.350 1.440 0.208 1.00 1.00 C ATOM 1118 O GLU A 75 -13.396 1.357 -0.434 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.805 -0.553 1.627 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.239 -1.969 1.536 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.533 -2.717 2.827 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.092 -2.111 3.727 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.192 -3.881 2.899 1.00 1.00 O ATOM 0 H GLU A 75 -9.507 0.242 1.199 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.561 -0.413 -0.506 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.411 -0.049 2.509 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.889 -0.590 1.738 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.681 -2.495 0.690 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.164 -1.932 1.362 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.949 2.562 0.792 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.745 3.781 0.702 1.00 1.00 C ATOM 1132 C GLY A 76 -12.516 4.493 -0.629 1.00 1.00 C ATOM 1133 O GLY A 76 -13.366 5.256 -1.089 1.00 1.00 O ATOM 0 H GLY A 76 -11.086 2.654 1.328 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.802 3.537 0.810 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.487 4.449 1.524 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.360 4.245 -1.240 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.023 4.872 -2.520 1.00 1.00 C ATOM 1139 C LEU A 77 -11.548 4.043 -3.683 1.00 1.00 C ATOM 1140 O LEU A 77 -11.580 4.504 -4.823 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.505 5.014 -2.628 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.008 6.073 -1.631 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.487 5.982 -1.504 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.393 7.488 -2.114 1.00 1.00 C ATOM 0 H LEU A 77 -10.643 3.618 -0.874 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.490 5.856 -2.564 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.026 4.056 -2.424 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.229 5.299 -3.643 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.473 5.888 -0.663 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.135 6.733 -0.797 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.210 4.990 -1.147 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.029 6.158 -2.478 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.034 8.227 -1.398 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -8.940 7.676 -3.087 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.477 7.561 -2.199 1.00 1.00 H new ATOM 1156 N LEU A 78 -11.963 2.819 -3.387 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.493 1.932 -4.416 1.00 1.00 C ATOM 1158 C LEU A 78 -13.983 2.189 -4.634 1.00 1.00 C ATOM 1159 O LEU A 78 -14.589 1.623 -5.543 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.274 0.470 -4.003 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.848 0.000 -4.348 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.547 -1.297 -3.590 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.717 -0.272 -5.859 1.00 1.00 C ATOM 0 H LEU A 78 -11.944 2.418 -2.449 1.00 1.00 H new ATOM 0 HA LEU A 78 -11.966 2.130 -5.350 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.446 0.363 -2.932 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.001 -0.166 -4.508 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.146 0.783 -4.062 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.539 -1.634 -3.831 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.623 -1.118 -2.518 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.265 -2.064 -3.881 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.703 -0.603 -6.083 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.425 -1.048 -6.152 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -10.931 0.642 -6.413 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.576 3.032 -3.794 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.990 3.346 -3.903 1.00 1.00 C ATOM 1177 C GLU A 79 -16.175 4.708 -4.510 1.00 1.00 C ATOM 1178 O GLU A 79 -16.755 4.829 -5.583 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.596 3.350 -2.527 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.307 1.997 -1.888 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.878 1.937 -0.479 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.521 2.892 -0.080 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.664 0.932 0.180 1.00 1.00 O ATOM 0 H GLU A 79 -14.096 3.509 -3.031 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.472 2.600 -4.534 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.173 4.155 -1.926 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.670 3.525 -2.583 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.740 1.202 -2.496 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.231 1.826 -1.858 1.00 1.00 H new