USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 833 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 59 ASN : amide:sc= 3.47 K(o=4.3,f=-7.9!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.786 K(o=4.3,f=2.4) USER MOD Set 2.1: A 32 CYS SG : rot -145:sc= 0.334 USER MOD Set 2.2: A 35 CYS SG : rot 75:sc= -0.576 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 1.47 USER MOD Set 3.2: A 11 SER OG : rot -78:sc= 1.8 USER MOD Set 4.1: A 1 SER OG : rot -144:sc= 1.36 USER MOD Set 4.2: A 6 HIS : no HE2:sc= 1.15 K(o=2.5,f=-6.1!) USER MOD Single : A 1 SER N :NH3+ 164:sc= 1.14 (180deg=0.648) USER MOD Single : A 3 LYS NZ :NH3+ -140:sc= 0.274 (180deg=0.099) USER MOD Single : A 14 THR OG1 : rot -29:sc= 0.411 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 118:sc= 0.0184 USER MOD Single : A 50 GLN : amide:sc= 1.07 K(o=1.1,f=-0.0041) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0.987 (180deg=0.953) USER MOD Single : A 63 ASN : amide:sc= 1.7 K(o=1.7,f=-5.2!) USER MOD Single : A 66 THR OG1 : rot -71:sc= 1.06 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0.674 (180deg=0.595) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -69:sc= 0.803 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.566) USER MOD Single : A 83 ASN : amide:sc= 1.23 K(o=1.2,f=-4.4!) USER MOD Single : A 89 THR OG1 : rot 34:sc= 1.25 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0476 USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0.996 (180deg=0.987) USER MOD Single : A 98 GLN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 173:sc= 0.879 (180deg=0.859) USER MOD Single : A 106 ASN : amide:sc= 0.729 K(o=0.73,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.323 -4.187 -4.074 1.00 0.00 N ATOM 2 CA SER A 1 -10.616 -4.319 -5.339 1.00 0.00 C ATOM 3 C SER A 1 -11.538 -4.198 -6.556 1.00 0.00 C ATOM 4 O SER A 1 -11.135 -4.562 -7.661 1.00 0.00 O ATOM 5 CB SER A 1 -9.851 -5.641 -5.351 1.00 0.00 C ATOM 6 OG SER A 1 -8.948 -5.649 -4.261 1.00 0.00 O ATOM 0 H1 SER A 1 -10.722 -4.540 -3.302 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.550 -3.186 -3.906 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.203 -4.741 -4.109 1.00 0.00 H new ATOM 0 HA SER A 1 -9.915 -3.488 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.543 -6.480 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.311 -5.757 -6.291 1.00 0.00 H new ATOM 0 HG SER A 1 -8.120 -6.102 -4.525 1.00 0.00 H new ATOM 12 N ASP A 2 -12.754 -3.677 -6.348 1.00 0.00 N ATOM 13 CA ASP A 2 -13.797 -3.453 -7.346 1.00 0.00 C ATOM 14 C ASP A 2 -13.235 -3.053 -8.711 1.00 0.00 C ATOM 15 O ASP A 2 -13.651 -3.602 -9.729 1.00 0.00 O ATOM 16 CB ASP A 2 -14.775 -2.374 -6.853 1.00 0.00 C ATOM 17 CG ASP A 2 -15.375 -2.703 -5.491 1.00 0.00 C ATOM 18 OD1 ASP A 2 -14.605 -2.622 -4.506 1.00 0.00 O ATOM 19 OD2 ASP A 2 -16.579 -3.031 -5.456 1.00 0.00 O ATOM 0 H ASP A 2 -13.050 -3.383 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.318 -4.401 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.256 -1.417 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.578 -2.257 -7.581 1.00 0.00 H new ATOM 24 N LYS A 3 -12.302 -2.097 -8.727 1.00 0.00 N ATOM 25 CA LYS A 3 -11.654 -1.630 -9.947 1.00 0.00 C ATOM 26 C LYS A 3 -10.131 -1.639 -9.783 1.00 0.00 C ATOM 27 O LYS A 3 -9.468 -0.680 -10.169 1.00 0.00 O ATOM 28 CB LYS A 3 -12.173 -0.232 -10.312 1.00 0.00 C ATOM 29 CG LYS A 3 -13.687 -0.202 -10.558 1.00 0.00 C ATOM 30 CD LYS A 3 -14.081 1.153 -11.160 1.00 0.00 C ATOM 31 CE LYS A 3 -15.584 1.243 -11.445 1.00 0.00 C ATOM 32 NZ LYS A 3 -16.375 1.318 -10.203 1.00 0.00 N ATOM 0 H LYS A 3 -11.975 -1.624 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.899 -2.307 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.927 0.462 -9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.658 0.119 -11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.972 -1.009 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.222 -0.365 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.794 1.951 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.527 1.313 -12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.785 2.122 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.897 0.373 -12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.233 0.739 -10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.807 0.962 -9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.643 2.306 -10.021 1.00 0.00 H new ATOM 46 N ILE A 4 -9.563 -2.710 -9.213 1.00 0.00 N ATOM 47 CA ILE A 4 -8.119 -2.821 -9.009 1.00 0.00 C ATOM 48 C ILE A 4 -7.572 -4.052 -9.727 1.00 0.00 C ATOM 49 O ILE A 4 -8.180 -5.121 -9.699 1.00 0.00 O ATOM 50 CB ILE A 4 -7.789 -2.839 -7.509 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.272 -1.522 -6.877 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.286 -3.038 -7.287 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.820 -1.326 -5.429 1.00 0.00 C ATOM 0 H ILE A 4 -10.091 -3.518 -8.883 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.631 -1.947 -9.441 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.301 -3.675 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.908 -0.688 -7.477 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.361 -1.490 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.074 -3.048 -6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.976 -3.986 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.737 -2.222 -7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.200 -0.376 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.206 -2.139 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.731 -1.324 -5.385 1.00 0.00 H new ATOM 65 N ILE A 5 -6.403 -3.901 -10.355 1.00 0.00 N ATOM 66 CA ILE A 5 -5.735 -4.979 -11.074 1.00 0.00 C ATOM 67 C ILE A 5 -4.840 -5.763 -10.105 1.00 0.00 C ATOM 68 O ILE A 5 -3.840 -5.236 -9.624 1.00 0.00 O ATOM 69 CB ILE A 5 -4.925 -4.401 -12.251 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.760 -3.491 -13.173 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.261 -5.526 -13.060 1.00 0.00 C ATOM 72 CD1 ILE A 5 -7.011 -4.154 -13.760 1.00 0.00 C ATOM 0 H ILE A 5 -5.893 -3.018 -10.376 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.475 -5.666 -11.485 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.151 -3.772 -11.811 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.063 -2.607 -12.612 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.128 -3.148 -13.992 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.695 -5.095 -13.886 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.588 -6.090 -12.414 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.028 -6.192 -13.455 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.537 -3.441 -14.395 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.719 -5.021 -14.352 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.668 -4.472 -12.951 1.00 0.00 H new ATOM 84 N HIS A 6 -5.176 -7.024 -9.820 1.00 0.00 N ATOM 85 CA HIS A 6 -4.362 -7.867 -8.951 1.00 0.00 C ATOM 86 C HIS A 6 -3.227 -8.497 -9.761 1.00 0.00 C ATOM 87 O HIS A 6 -3.464 -9.406 -10.554 1.00 0.00 O ATOM 88 CB HIS A 6 -5.223 -8.911 -8.232 1.00 0.00 C ATOM 89 CG HIS A 6 -5.831 -8.353 -6.971 1.00 0.00 C ATOM 90 ND1 HIS A 6 -5.427 -8.656 -5.684 1.00 0.00 N ATOM 91 CD2 HIS A 6 -6.747 -7.338 -6.901 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.102 -7.850 -4.844 1.00 0.00 C ATOM 93 NE2 HIS A 6 -6.906 -7.048 -5.561 1.00 0.00 N ATOM 0 H HIS A 6 -6.012 -7.482 -10.183 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.912 -7.254 -8.170 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.015 -9.252 -8.899 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.614 -9.781 -7.989 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -4.741 -9.363 -5.419 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.246 -6.859 -7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.012 -7.848 -3.768 1.00 0.00 H new ATOM 102 N LEU A 7 -2.000 -8.011 -9.565 1.00 0.00 N ATOM 103 CA LEU A 7 -0.807 -8.470 -10.254 1.00 0.00 C ATOM 104 C LEU A 7 -0.147 -9.624 -9.503 1.00 0.00 C ATOM 105 O LEU A 7 -0.399 -9.840 -8.316 1.00 0.00 O ATOM 106 CB LEU A 7 0.185 -7.304 -10.325 1.00 0.00 C ATOM 107 CG LEU A 7 -0.333 -6.108 -11.134 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.532 -4.897 -10.794 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.274 -6.391 -12.637 1.00 0.00 C ATOM 0 H LEU A 7 -1.810 -7.262 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.086 -8.817 -11.249 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.419 -6.974 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.116 -7.656 -10.768 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.375 -5.919 -10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.184 -4.031 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.461 -4.688 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.569 -5.106 -11.055 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.647 -5.526 -13.185 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.757 -6.589 -12.930 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.890 -7.260 -12.868 1.00 0.00 H new ATOM 121 N THR A 8 0.745 -10.328 -10.202 1.00 0.00 N ATOM 122 CA THR A 8 1.561 -11.404 -9.674 1.00 0.00 C ATOM 123 C THR A 8 2.968 -11.196 -10.230 1.00 0.00 C ATOM 124 O THR A 8 3.137 -10.423 -11.171 1.00 0.00 O ATOM 125 CB THR A 8 1.005 -12.763 -10.118 1.00 0.00 C ATOM 126 OG1 THR A 8 1.185 -12.919 -11.516 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.478 -12.933 -9.774 1.00 0.00 C ATOM 0 H THR A 8 0.920 -10.151 -11.191 1.00 0.00 H new ATOM 0 HA THR A 8 1.565 -11.396 -8.584 1.00 0.00 H new ATOM 0 HB THR A 8 1.557 -13.530 -9.574 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.830 -13.788 -11.796 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.820 -13.912 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.613 -12.853 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.058 -12.156 -10.271 1.00 0.00 H new ATOM 135 N ASP A 9 3.973 -11.893 -9.698 1.00 0.00 N ATOM 136 CA ASP A 9 5.339 -11.800 -10.192 1.00 0.00 C ATOM 137 C ASP A 9 5.370 -12.185 -11.671 1.00 0.00 C ATOM 138 O ASP A 9 5.950 -11.482 -12.495 1.00 0.00 O ATOM 139 CB ASP A 9 6.247 -12.711 -9.359 1.00 0.00 C ATOM 140 CG ASP A 9 7.713 -12.526 -9.737 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.150 -13.220 -10.680 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.375 -11.700 -9.071 1.00 0.00 O ATOM 0 H ASP A 9 3.859 -12.536 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 9 5.705 -10.778 -10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.112 -12.493 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.959 -13.751 -9.509 1.00 0.00 H new ATOM 147 N ASP A 10 4.700 -13.294 -11.994 1.00 0.00 N ATOM 148 CA ASP A 10 4.584 -13.807 -13.348 1.00 0.00 C ATOM 149 C ASP A 10 3.969 -12.767 -14.286 1.00 0.00 C ATOM 150 O ASP A 10 4.479 -12.548 -15.382 1.00 0.00 O ATOM 151 CB ASP A 10 3.742 -15.085 -13.336 1.00 0.00 C ATOM 152 CG ASP A 10 3.513 -15.612 -14.750 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.425 -16.303 -15.252 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.432 -15.307 -15.298 1.00 0.00 O ATOM 0 H ASP A 10 4.216 -13.867 -11.303 1.00 0.00 H new ATOM 0 HA ASP A 10 5.582 -14.034 -13.722 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.242 -15.847 -12.738 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.782 -14.886 -12.860 1.00 0.00 H new ATOM 159 N SER A 11 2.874 -12.126 -13.865 1.00 0.00 N ATOM 160 CA SER A 11 2.192 -11.173 -14.733 1.00 0.00 C ATOM 161 C SER A 11 2.908 -9.820 -14.771 1.00 0.00 C ATOM 162 O SER A 11 2.784 -9.096 -15.756 1.00 0.00 O ATOM 163 CB SER A 11 0.715 -11.049 -14.338 1.00 0.00 C ATOM 164 OG SER A 11 0.531 -10.680 -12.982 1.00 0.00 O ATOM 0 H SER A 11 2.450 -12.249 -12.945 1.00 0.00 H new ATOM 0 HA SER A 11 2.226 -11.556 -15.753 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.235 -10.309 -14.978 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.215 -12.000 -14.520 1.00 0.00 H new ATOM 0 HG SER A 11 0.670 -11.462 -12.408 1.00 0.00 H new ATOM 170 N PHE A 12 3.656 -9.483 -13.716 1.00 0.00 N ATOM 171 CA PHE A 12 4.404 -8.239 -13.568 1.00 0.00 C ATOM 172 C PHE A 12 5.153 -7.834 -14.838 1.00 0.00 C ATOM 173 O PHE A 12 5.102 -6.677 -15.254 1.00 0.00 O ATOM 174 CB PHE A 12 5.398 -8.378 -12.411 1.00 0.00 C ATOM 175 CG PHE A 12 5.832 -7.053 -11.838 1.00 0.00 C ATOM 176 CD1 PHE A 12 5.018 -6.426 -10.881 1.00 0.00 C ATOM 177 CD2 PHE A 12 7.024 -6.441 -12.262 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.457 -5.252 -10.252 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.414 -5.217 -11.695 1.00 0.00 C ATOM 180 CZ PHE A 12 6.662 -4.656 -10.650 1.00 0.00 C ATOM 0 H PHE A 12 3.759 -10.099 -12.909 1.00 0.00 H new ATOM 0 HA PHE A 12 3.678 -7.452 -13.363 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.945 -8.977 -11.621 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.277 -8.921 -12.759 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.056 -6.847 -10.630 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.636 -6.909 -13.019 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.868 -4.808 -9.463 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.292 -4.707 -12.063 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.013 -3.764 -10.152 1.00 0.00 H new ATOM 190 N ASP A 13 5.858 -8.791 -15.449 1.00 0.00 N ATOM 191 CA ASP A 13 6.612 -8.559 -16.672 1.00 0.00 C ATOM 192 C ASP A 13 5.745 -7.843 -17.707 1.00 0.00 C ATOM 193 O ASP A 13 6.017 -6.716 -18.110 1.00 0.00 O ATOM 194 CB ASP A 13 7.116 -9.898 -17.233 1.00 0.00 C ATOM 195 CG ASP A 13 7.577 -9.763 -18.685 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.716 -9.289 -18.879 1.00 0.00 O ATOM 197 OD2 ASP A 13 6.765 -10.110 -19.575 1.00 0.00 O ATOM 0 H ASP A 13 5.918 -9.749 -15.104 1.00 0.00 H new ATOM 0 HA ASP A 13 7.468 -7.924 -16.444 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.941 -10.262 -16.621 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.321 -10.641 -17.171 1.00 0.00 H new ATOM 202 N THR A 14 4.709 -8.533 -18.168 1.00 0.00 N ATOM 203 CA THR A 14 3.863 -8.046 -19.231 1.00 0.00 C ATOM 204 C THR A 14 2.981 -6.886 -18.776 1.00 0.00 C ATOM 205 O THR A 14 2.824 -5.900 -19.491 1.00 0.00 O ATOM 206 CB THR A 14 3.057 -9.232 -19.773 1.00 0.00 C ATOM 207 OG1 THR A 14 3.863 -10.399 -19.736 1.00 0.00 O ATOM 208 CG2 THR A 14 2.594 -8.985 -21.211 1.00 0.00 C ATOM 0 H THR A 14 4.438 -9.448 -17.809 1.00 0.00 H new ATOM 0 HA THR A 14 4.473 -7.632 -20.034 1.00 0.00 H new ATOM 0 HB THR A 14 2.173 -9.358 -19.148 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.806 -10.148 -19.829 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.026 -9.846 -21.563 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.964 -8.096 -21.243 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.463 -8.837 -21.853 1.00 0.00 H new ATOM 216 N ASP A 15 2.379 -7.023 -17.597 1.00 0.00 N ATOM 217 CA ASP A 15 1.412 -6.064 -17.091 1.00 0.00 C ATOM 218 C ASP A 15 2.032 -4.752 -16.630 1.00 0.00 C ATOM 219 O ASP A 15 1.402 -3.712 -16.801 1.00 0.00 O ATOM 220 CB ASP A 15 0.597 -6.675 -15.943 1.00 0.00 C ATOM 221 CG ASP A 15 -0.303 -7.844 -16.341 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.130 -8.380 -17.458 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.153 -8.199 -15.495 1.00 0.00 O ATOM 0 H ASP A 15 2.552 -7.806 -16.967 1.00 0.00 H new ATOM 0 HA ASP A 15 0.762 -5.828 -17.934 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.285 -7.013 -15.169 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.021 -5.894 -15.501 1.00 0.00 H new ATOM 228 N VAL A 16 3.216 -4.791 -16.012 1.00 0.00 N ATOM 229 CA VAL A 16 3.873 -3.606 -15.471 1.00 0.00 C ATOM 230 C VAL A 16 5.092 -3.237 -16.307 1.00 0.00 C ATOM 231 O VAL A 16 5.163 -2.134 -16.844 1.00 0.00 O ATOM 232 CB VAL A 16 4.245 -3.811 -13.989 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.862 -2.538 -13.398 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.009 -4.176 -13.164 1.00 0.00 C ATOM 0 H VAL A 16 3.745 -5.652 -15.874 1.00 0.00 H new ATOM 0 HA VAL A 16 3.172 -2.773 -15.520 1.00 0.00 H new ATOM 0 HB VAL A 16 4.970 -4.624 -13.948 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.116 -2.708 -12.352 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.764 -2.280 -13.953 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.146 -1.720 -13.469 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.296 -4.316 -12.122 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.275 -3.373 -13.234 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.575 -5.099 -13.548 1.00 0.00 H new ATOM 244 N LEU A 17 6.075 -4.133 -16.409 1.00 0.00 N ATOM 245 CA LEU A 17 7.314 -3.783 -17.097 1.00 0.00 C ATOM 246 C LEU A 17 7.098 -3.484 -18.579 1.00 0.00 C ATOM 247 O LEU A 17 7.731 -2.571 -19.103 1.00 0.00 O ATOM 248 CB LEU A 17 8.431 -4.794 -16.810 1.00 0.00 C ATOM 249 CG LEU A 17 8.753 -4.878 -15.307 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.882 -5.887 -15.078 1.00 0.00 C ATOM 251 CD2 LEU A 17 9.178 -3.521 -14.722 1.00 0.00 C ATOM 0 H LEU A 17 6.039 -5.081 -16.034 1.00 0.00 H new ATOM 0 HA LEU A 17 7.665 -2.840 -16.679 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.133 -5.778 -17.174 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.329 -4.509 -17.359 1.00 0.00 H new ATOM 0 HG LEU A 17 7.841 -5.194 -14.801 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.108 -5.945 -14.013 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.571 -6.868 -15.437 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.771 -5.567 -15.621 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.394 -3.634 -13.660 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.070 -3.166 -15.238 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.372 -2.800 -14.853 1.00 0.00 H new ATOM 263 N LYS A 18 6.190 -4.197 -19.251 1.00 0.00 N ATOM 264 CA LYS A 18 5.874 -3.923 -20.650 1.00 0.00 C ATOM 265 C LYS A 18 4.580 -3.102 -20.749 1.00 0.00 C ATOM 266 O LYS A 18 3.864 -3.189 -21.744 1.00 0.00 O ATOM 267 CB LYS A 18 5.808 -5.237 -21.443 1.00 0.00 C ATOM 268 CG LYS A 18 7.128 -6.018 -21.351 1.00 0.00 C ATOM 269 CD LYS A 18 7.052 -7.420 -21.971 1.00 0.00 C ATOM 270 CE LYS A 18 6.690 -7.390 -23.460 1.00 0.00 C ATOM 271 NZ LYS A 18 6.748 -8.740 -24.047 1.00 0.00 N ATOM 0 H LYS A 18 5.661 -4.969 -18.845 1.00 0.00 H new ATOM 0 HA LYS A 18 6.666 -3.321 -21.097 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.993 -5.852 -21.062 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.584 -5.022 -22.488 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.913 -5.450 -21.850 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.416 -6.107 -20.304 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.012 -7.921 -21.845 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.311 -8.011 -21.433 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.689 -6.978 -23.586 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.375 -6.729 -23.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.499 -8.691 -25.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.710 -9.121 -23.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.076 -9.362 -23.554 1.00 0.00 H new ATOM 285 N ALA A 19 4.270 -2.302 -19.720 1.00 0.00 N ATOM 286 CA ALA A 19 3.069 -1.483 -19.701 1.00 0.00 C ATOM 287 C ALA A 19 3.185 -0.266 -20.613 1.00 0.00 C ATOM 288 O ALA A 19 4.260 0.086 -21.095 1.00 0.00 O ATOM 289 CB ALA A 19 2.822 -0.981 -18.276 1.00 0.00 C ATOM 0 H ALA A 19 4.848 -2.210 -18.884 1.00 0.00 H new ATOM 0 HA ALA A 19 2.248 -2.106 -20.055 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.922 -0.366 -18.258 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.694 -1.832 -17.607 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.674 -0.386 -17.947 1.00 0.00 H new ATOM 295 N ASP A 20 2.057 0.432 -20.753 1.00 0.00 N ATOM 296 CA ASP A 20 1.921 1.707 -21.417 1.00 0.00 C ATOM 297 C ASP A 20 0.915 2.472 -20.567 1.00 0.00 C ATOM 298 O ASP A 20 -0.121 1.914 -20.211 1.00 0.00 O ATOM 299 CB ASP A 20 1.450 1.548 -22.864 1.00 0.00 C ATOM 300 CG ASP A 20 1.260 2.914 -23.518 1.00 0.00 C ATOM 301 OD1 ASP A 20 2.245 3.686 -23.519 1.00 0.00 O ATOM 302 OD2 ASP A 20 0.132 3.167 -23.993 1.00 0.00 O ATOM 0 H ASP A 20 1.170 0.094 -20.381 1.00 0.00 H new ATOM 0 HA ASP A 20 2.872 2.234 -21.496 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.179 0.967 -23.428 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.512 0.993 -22.888 1.00 0.00 H new ATOM 307 N GLY A 21 1.244 3.704 -20.187 1.00 0.00 N ATOM 308 CA GLY A 21 0.428 4.516 -19.302 1.00 0.00 C ATOM 309 C GLY A 21 0.948 4.415 -17.868 1.00 0.00 C ATOM 310 O GLY A 21 2.019 3.855 -17.622 1.00 0.00 O ATOM 0 H GLY A 21 2.099 4.169 -20.492 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.445 5.555 -19.631 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.609 4.185 -19.345 1.00 0.00 H new ATOM 314 N ALA A 22 0.184 4.984 -16.930 1.00 0.00 N ATOM 315 CA ALA A 22 0.509 5.048 -15.511 1.00 0.00 C ATOM 316 C ALA A 22 -0.203 3.940 -14.729 1.00 0.00 C ATOM 317 O ALA A 22 -1.436 3.883 -14.715 1.00 0.00 O ATOM 318 CB ALA A 22 0.101 6.427 -14.986 1.00 0.00 C ATOM 0 H ALA A 22 -0.708 5.427 -17.151 1.00 0.00 H new ATOM 0 HA ALA A 22 1.580 4.898 -15.376 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.336 6.496 -13.924 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.646 7.199 -15.529 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.970 6.569 -15.131 1.00 0.00 H new ATOM 324 N ILE A 23 0.575 3.078 -14.066 1.00 0.00 N ATOM 325 CA ILE A 23 0.089 1.988 -13.239 1.00 0.00 C ATOM 326 C ILE A 23 0.557 2.208 -11.799 1.00 0.00 C ATOM 327 O ILE A 23 1.761 2.237 -11.542 1.00 0.00 O ATOM 328 CB ILE A 23 0.560 0.629 -13.792 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.255 0.512 -15.299 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.078 -0.505 -12.977 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.314 -0.924 -15.823 1.00 0.00 C ATOM 0 H ILE A 23 1.593 3.129 -14.097 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.001 1.974 -13.254 1.00 0.00 H new ATOM 0 HB ILE A 23 1.642 0.550 -13.689 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.736 0.921 -15.494 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.967 1.123 -15.854 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.255 -1.466 -13.368 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.221 -0.415 -11.933 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.164 -0.440 -13.051 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.089 -0.932 -16.890 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.312 -1.330 -15.660 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.417 -1.535 -15.294 1.00 0.00 H new ATOM 343 N LEU A 24 -0.381 2.324 -10.852 1.00 0.00 N ATOM 344 CA LEU A 24 -0.064 2.453 -9.434 1.00 0.00 C ATOM 345 C LEU A 24 -0.094 1.045 -8.861 1.00 0.00 C ATOM 346 O LEU A 24 -1.168 0.473 -8.720 1.00 0.00 O ATOM 347 CB LEU A 24 -1.071 3.374 -8.734 1.00 0.00 C ATOM 348 CG LEU A 24 -0.778 3.673 -7.250 1.00 0.00 C ATOM 349 CD1 LEU A 24 -0.944 2.492 -6.292 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.589 4.341 -7.052 1.00 0.00 C ATOM 0 H LEU A 24 -1.381 2.331 -11.052 1.00 0.00 H new ATOM 0 HA LEU A 24 0.915 2.907 -9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.110 4.319 -9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.061 2.923 -8.807 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.564 4.377 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.713 2.812 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.972 2.131 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.265 1.690 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.750 4.532 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.373 3.683 -7.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.616 5.284 -7.599 1.00 0.00 H new ATOM 362 N VAL A 25 1.070 0.491 -8.539 1.00 0.00 N ATOM 363 CA VAL A 25 1.198 -0.858 -8.006 1.00 0.00 C ATOM 364 C VAL A 25 1.328 -0.793 -6.487 1.00 0.00 C ATOM 365 O VAL A 25 2.368 -0.373 -5.982 1.00 0.00 O ATOM 366 CB VAL A 25 2.407 -1.573 -8.632 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.505 -3.007 -8.092 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.305 -1.611 -10.162 1.00 0.00 C ATOM 0 H VAL A 25 1.962 0.974 -8.643 1.00 0.00 H new ATOM 0 HA VAL A 25 0.306 -1.432 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 25 3.302 -1.013 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.364 -3.507 -8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.625 -2.981 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.596 -3.553 -8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.175 -2.123 -10.572 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.400 -2.144 -10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.267 -0.593 -10.550 1.00 0.00 H new ATOM 378 N ASP A 26 0.292 -1.227 -5.766 1.00 0.00 N ATOM 379 CA ASP A 26 0.290 -1.288 -4.311 1.00 0.00 C ATOM 380 C ASP A 26 0.729 -2.685 -3.874 1.00 0.00 C ATOM 381 O ASP A 26 -0.040 -3.633 -3.997 1.00 0.00 O ATOM 382 CB ASP A 26 -1.107 -0.976 -3.760 1.00 0.00 C ATOM 383 CG ASP A 26 -1.212 -1.367 -2.291 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.220 -1.913 -1.856 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.139 -1.125 -1.494 1.00 0.00 O ATOM 0 H ASP A 26 -0.579 -1.550 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 26 0.982 -0.544 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.318 0.087 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.859 -1.513 -4.338 1.00 0.00 H new ATOM 391 N PHE A 27 1.929 -2.814 -3.318 1.00 0.00 N ATOM 392 CA PHE A 27 2.413 -4.084 -2.801 1.00 0.00 C ATOM 393 C PHE A 27 1.739 -4.262 -1.436 1.00 0.00 C ATOM 394 O PHE A 27 1.775 -3.331 -0.629 1.00 0.00 O ATOM 395 CB PHE A 27 3.942 -4.060 -2.666 1.00 0.00 C ATOM 396 CG PHE A 27 4.753 -4.097 -3.953 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.595 -3.114 -4.951 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.780 -5.051 -4.093 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.379 -3.157 -6.119 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.636 -5.017 -5.205 1.00 0.00 C ATOM 401 CZ PHE A 27 6.392 -4.120 -6.255 1.00 0.00 C ATOM 0 H PHE A 27 2.589 -2.043 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 27 2.174 -4.912 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.219 -3.160 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.241 -4.911 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.870 -2.325 -4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.910 -5.814 -3.340 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.201 -2.447 -6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.485 -5.683 -5.252 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.978 -4.169 -7.161 1.00 0.00 H new ATOM 411 N TRP A 28 1.099 -5.411 -1.188 1.00 0.00 N ATOM 412 CA TRP A 28 0.349 -5.671 0.039 1.00 0.00 C ATOM 413 C TRP A 28 0.435 -7.131 0.489 1.00 0.00 C ATOM 414 O TRP A 28 0.942 -7.985 -0.235 1.00 0.00 O ATOM 415 CB TRP A 28 -1.127 -5.314 -0.183 1.00 0.00 C ATOM 416 CG TRP A 28 -1.895 -6.228 -1.087 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.809 -6.252 -2.430 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.849 -7.273 -0.733 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.598 -7.265 -2.933 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.269 -7.928 -1.929 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.408 -7.733 0.478 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.176 -8.996 -1.922 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.340 -8.786 0.493 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.715 -9.429 -0.701 1.00 0.00 C ATOM 0 H TRP A 28 1.089 -6.193 -1.843 1.00 0.00 H new ATOM 0 HA TRP A 28 0.793 -5.055 0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.625 -5.292 0.787 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.179 -4.304 -0.591 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.211 -5.578 -3.025 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.675 -7.495 -3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.115 -7.269 1.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.457 -9.480 -2.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.772 -9.104 1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.414 -10.252 -0.678 1.00 0.00 H new ATOM 435 N ALA A 29 -0.119 -7.412 1.674 1.00 0.00 N ATOM 436 CA ALA A 29 -0.227 -8.736 2.265 1.00 0.00 C ATOM 437 C ALA A 29 -1.431 -8.731 3.206 1.00 0.00 C ATOM 438 O ALA A 29 -1.690 -7.712 3.842 1.00 0.00 O ATOM 439 CB ALA A 29 1.037 -9.070 3.048 1.00 0.00 C ATOM 0 H ALA A 29 -0.520 -6.686 2.267 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.352 -9.486 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.942 -10.064 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.896 -9.049 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.178 -8.337 3.842 1.00 0.00 H new ATOM 445 N GLU A 30 -2.161 -9.848 3.291 1.00 0.00 N ATOM 446 CA GLU A 30 -3.366 -9.990 4.105 1.00 0.00 C ATOM 447 C GLU A 30 -3.171 -9.462 5.529 1.00 0.00 C ATOM 448 O GLU A 30 -3.977 -8.681 6.030 1.00 0.00 O ATOM 449 CB GLU A 30 -3.825 -11.459 4.160 1.00 0.00 C ATOM 450 CG GLU A 30 -4.046 -12.129 2.792 1.00 0.00 C ATOM 451 CD GLU A 30 -2.792 -12.827 2.269 1.00 0.00 C ATOM 452 OE1 GLU A 30 -1.940 -12.105 1.707 1.00 0.00 O ATOM 453 OE2 GLU A 30 -2.701 -14.061 2.441 1.00 0.00 O ATOM 0 H GLU A 30 -1.921 -10.698 2.781 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.136 -9.387 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.082 -12.034 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.755 -11.511 4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.854 -12.856 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.366 -11.377 2.071 1.00 0.00 H new ATOM 460 N TRP A 31 -2.102 -9.919 6.181 1.00 0.00 N ATOM 461 CA TRP A 31 -1.774 -9.558 7.552 1.00 0.00 C ATOM 462 C TRP A 31 -1.435 -8.072 7.705 1.00 0.00 C ATOM 463 O TRP A 31 -1.544 -7.523 8.802 1.00 0.00 O ATOM 464 CB TRP A 31 -0.608 -10.437 8.028 1.00 0.00 C ATOM 465 CG TRP A 31 0.627 -10.404 7.172 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.947 -11.318 6.229 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.706 -9.417 7.153 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.123 -10.952 5.607 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.636 -9.785 6.134 1.00 0.00 C ATOM 470 CE3 TRP A 31 1.991 -8.243 7.883 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.774 -9.020 5.843 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.132 -7.468 7.601 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.021 -7.853 6.583 1.00 0.00 C ATOM 0 H TRP A 31 -1.431 -10.561 5.760 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.653 -9.732 8.172 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.336 -10.131 9.038 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.957 -11.468 8.090 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.370 -12.201 5.997 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.559 -11.479 4.851 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.322 -7.934 8.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.452 -9.325 5.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.325 -6.571 8.171 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.893 -7.252 6.370 1.00 0.00 H new ATOM 484 N CYS A 32 -1.002 -7.406 6.632 1.00 0.00 N ATOM 485 CA CYS A 32 -0.585 -6.017 6.710 1.00 0.00 C ATOM 486 C CYS A 32 -1.786 -5.071 6.709 1.00 0.00 C ATOM 487 O CYS A 32 -2.053 -4.383 5.725 1.00 0.00 O ATOM 488 CB CYS A 32 0.405 -5.707 5.593 1.00 0.00 C ATOM 489 SG CYS A 32 1.082 -4.060 5.893 1.00 0.00 S ATOM 0 H CYS A 32 -0.933 -7.814 5.700 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.074 -5.855 7.659 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.203 -6.450 5.573 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.090 -5.745 4.623 1.00 0.00 H new ATOM 0 HG CYS A 32 1.291 -3.463 4.757 1.00 0.00 H new ATOM 495 N GLY A 33 -2.499 -5.048 7.841 1.00 0.00 N ATOM 496 CA GLY A 33 -3.674 -4.228 8.139 1.00 0.00 C ATOM 497 C GLY A 33 -3.849 -2.963 7.283 1.00 0.00 C ATOM 498 O GLY A 33 -4.833 -2.873 6.549 1.00 0.00 O ATOM 0 H GLY A 33 -2.250 -5.646 8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.563 -4.847 8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.628 -3.930 9.187 1.00 0.00 H new ATOM 502 N PRO A 34 -2.937 -1.974 7.355 1.00 0.00 N ATOM 503 CA PRO A 34 -3.035 -0.732 6.592 1.00 0.00 C ATOM 504 C PRO A 34 -3.331 -0.926 5.097 1.00 0.00 C ATOM 505 O PRO A 34 -3.981 -0.079 4.491 1.00 0.00 O ATOM 506 CB PRO A 34 -1.739 0.044 6.848 1.00 0.00 C ATOM 507 CG PRO A 34 -0.796 -0.981 7.479 1.00 0.00 C ATOM 508 CD PRO A 34 -1.744 -1.946 8.186 1.00 0.00 C ATOM 0 HA PRO A 34 -3.902 -0.166 6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.327 0.445 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.908 0.890 7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.193 -1.489 6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.104 -0.513 8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.302 -2.938 8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.974 -1.606 9.196 1.00 0.00 H new ATOM 516 N CYS A 35 -2.911 -2.042 4.499 1.00 0.00 N ATOM 517 CA CYS A 35 -3.219 -2.344 3.102 1.00 0.00 C ATOM 518 C CYS A 35 -4.734 -2.396 2.912 1.00 0.00 C ATOM 519 O CYS A 35 -5.284 -1.828 1.968 1.00 0.00 O ATOM 520 CB CYS A 35 -2.632 -3.690 2.672 1.00 0.00 C ATOM 521 SG CYS A 35 -0.829 -3.664 2.780 1.00 0.00 S ATOM 0 H CYS A 35 -2.352 -2.756 4.966 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.777 -1.558 2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.028 -4.484 3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.937 -3.916 1.650 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.468 -3.743 4.026 1.00 0.00 H new ATOM 527 N LYS A 36 -5.412 -3.065 3.845 1.00 0.00 N ATOM 528 CA LYS A 36 -6.858 -3.195 3.848 1.00 0.00 C ATOM 529 C LYS A 36 -7.481 -1.821 4.092 1.00 0.00 C ATOM 530 O LYS A 36 -8.510 -1.502 3.505 1.00 0.00 O ATOM 531 CB LYS A 36 -7.305 -4.229 4.892 1.00 0.00 C ATOM 532 CG LYS A 36 -6.617 -5.588 4.684 1.00 0.00 C ATOM 533 CD LYS A 36 -7.016 -6.621 5.746 1.00 0.00 C ATOM 534 CE LYS A 36 -8.489 -7.038 5.637 1.00 0.00 C ATOM 535 NZ LYS A 36 -8.802 -8.133 6.571 1.00 0.00 N ATOM 0 H LYS A 36 -4.960 -3.536 4.628 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.202 -3.560 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.079 -3.857 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.386 -4.357 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.871 -5.972 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.536 -5.451 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.384 -7.503 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.831 -6.208 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.129 -6.181 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.706 -7.353 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.804 -8.395 6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.207 -8.957 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.617 -7.821 7.546 1.00 0.00 H new ATOM 549 N MET A 37 -6.845 -0.998 4.933 1.00 0.00 N ATOM 550 CA MET A 37 -7.315 0.353 5.200 1.00 0.00 C ATOM 551 C MET A 37 -7.276 1.197 3.921 1.00 0.00 C ATOM 552 O MET A 37 -8.242 1.898 3.626 1.00 0.00 O ATOM 553 CB MET A 37 -6.508 0.986 6.339 1.00 0.00 C ATOM 554 CG MET A 37 -7.141 2.294 6.828 1.00 0.00 C ATOM 555 SD MET A 37 -6.238 3.092 8.178 1.00 0.00 S ATOM 556 CE MET A 37 -7.278 4.545 8.433 1.00 0.00 C ATOM 0 H MET A 37 -5.998 -1.253 5.441 1.00 0.00 H new ATOM 0 HA MET A 37 -8.354 0.311 5.526 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.439 0.283 7.169 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.490 1.180 5.999 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.208 2.988 5.990 1.00 0.00 H new ATOM 0 HG3 MET A 37 -8.160 2.091 7.157 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.863 5.153 9.237 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.314 5.132 7.516 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.286 4.228 8.701 1.00 0.00 H new ATOM 566 N ILE A 38 -6.175 1.150 3.160 1.00 0.00 N ATOM 567 CA ILE A 38 -6.081 1.928 1.926 1.00 0.00 C ATOM 568 C ILE A 38 -6.905 1.316 0.786 1.00 0.00 C ATOM 569 O ILE A 38 -7.331 2.059 -0.089 1.00 0.00 O ATOM 570 CB ILE A 38 -4.636 2.242 1.499 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.846 0.983 1.122 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.908 3.056 2.579 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.521 1.310 0.431 1.00 0.00 C ATOM 0 H ILE A 38 -5.350 0.589 3.375 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.529 2.894 2.160 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.698 2.850 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.649 0.398 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.452 0.361 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.889 3.264 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.436 3.995 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.882 2.487 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.001 0.384 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.716 1.871 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.901 1.909 1.098 1.00 0.00 H new ATOM 585 N ALA A 39 -7.128 -0.005 0.761 1.00 0.00 N ATOM 586 CA ALA A 39 -7.908 -0.677 -0.286 1.00 0.00 C ATOM 587 C ALA A 39 -9.129 0.121 -0.798 1.00 0.00 C ATOM 588 O ALA A 39 -9.184 0.415 -1.995 1.00 0.00 O ATOM 589 CB ALA A 39 -8.276 -2.100 0.143 1.00 0.00 C ATOM 0 H ALA A 39 -6.769 -0.642 1.472 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.253 -0.735 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.854 -2.580 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.366 -2.672 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.871 -2.063 1.056 1.00 0.00 H new ATOM 595 N PRO A 40 -10.107 0.502 0.046 1.00 0.00 N ATOM 596 CA PRO A 40 -11.247 1.291 -0.399 1.00 0.00 C ATOM 597 C PRO A 40 -10.800 2.614 -1.026 1.00 0.00 C ATOM 598 O PRO A 40 -11.323 3.002 -2.067 1.00 0.00 O ATOM 599 CB PRO A 40 -12.133 1.510 0.832 1.00 0.00 C ATOM 600 CG PRO A 40 -11.179 1.302 2.004 1.00 0.00 C ATOM 601 CD PRO A 40 -10.213 0.246 1.472 1.00 0.00 C ATOM 0 HA PRO A 40 -11.802 0.771 -1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.566 2.510 0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.962 0.803 0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.663 2.223 2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.703 0.958 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.240 0.323 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.586 -0.760 1.664 1.00 0.00 H new ATOM 609 N ILE A 41 -9.807 3.284 -0.434 1.00 0.00 N ATOM 610 CA ILE A 41 -9.269 4.528 -0.974 1.00 0.00 C ATOM 611 C ILE A 41 -8.772 4.255 -2.395 1.00 0.00 C ATOM 612 O ILE A 41 -9.155 4.951 -3.330 1.00 0.00 O ATOM 613 CB ILE A 41 -8.155 5.123 -0.086 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.549 5.132 1.403 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.848 6.551 -0.561 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.451 5.730 2.284 1.00 0.00 C ATOM 0 H ILE A 41 -9.358 2.978 0.429 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.058 5.280 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.269 4.496 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.468 5.704 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.760 4.113 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.062 6.980 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.517 6.526 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.747 7.162 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.772 5.716 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.539 5.143 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.258 6.758 1.978 1.00 0.00 H new ATOM 628 N LEU A 42 -7.948 3.218 -2.566 1.00 0.00 N ATOM 629 CA LEU A 42 -7.436 2.816 -3.867 1.00 0.00 C ATOM 630 C LEU A 42 -8.593 2.555 -4.838 1.00 0.00 C ATOM 631 O LEU A 42 -8.517 2.973 -5.989 1.00 0.00 O ATOM 632 CB LEU A 42 -6.488 1.614 -3.733 1.00 0.00 C ATOM 633 CG LEU A 42 -5.109 1.970 -3.146 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.403 0.672 -2.740 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.219 2.710 -4.153 1.00 0.00 C ATOM 0 H LEU A 42 -7.619 2.634 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.846 3.631 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.958 0.861 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.348 1.162 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.270 2.628 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.424 0.906 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.001 0.151 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.281 0.035 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.259 2.938 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.060 2.081 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.705 3.637 -4.456 1.00 0.00 H new ATOM 647 N ASP A 43 -9.679 1.908 -4.401 1.00 0.00 N ATOM 648 CA ASP A 43 -10.840 1.703 -5.269 1.00 0.00 C ATOM 649 C ASP A 43 -11.473 3.040 -5.667 1.00 0.00 C ATOM 650 O ASP A 43 -11.784 3.253 -6.840 1.00 0.00 O ATOM 651 CB ASP A 43 -11.882 0.787 -4.616 1.00 0.00 C ATOM 652 CG ASP A 43 -11.601 -0.680 -4.905 1.00 0.00 C ATOM 653 OD1 ASP A 43 -11.696 -1.045 -6.097 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.308 -1.413 -3.935 1.00 0.00 O ATOM 0 H ASP A 43 -9.777 1.522 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.483 1.208 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.887 0.951 -3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.875 1.046 -4.982 1.00 0.00 H new ATOM 659 N GLU A 44 -11.667 3.948 -4.706 1.00 0.00 N ATOM 660 CA GLU A 44 -12.235 5.262 -4.986 1.00 0.00 C ATOM 661 C GLU A 44 -11.366 5.959 -6.032 1.00 0.00 C ATOM 662 O GLU A 44 -11.867 6.420 -7.054 1.00 0.00 O ATOM 663 CB GLU A 44 -12.345 6.100 -3.708 1.00 0.00 C ATOM 664 CG GLU A 44 -13.359 5.519 -2.715 1.00 0.00 C ATOM 665 CD GLU A 44 -13.178 6.116 -1.323 1.00 0.00 C ATOM 666 OE1 GLU A 44 -13.402 7.339 -1.202 1.00 0.00 O ATOM 667 OE2 GLU A 44 -12.808 5.347 -0.410 1.00 0.00 O ATOM 0 H GLU A 44 -11.437 3.792 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.246 5.145 -5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.367 6.161 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.637 7.118 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.371 5.716 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.244 4.436 -2.666 1.00 0.00 H new ATOM 674 N ILE A 45 -10.055 5.992 -5.790 1.00 0.00 N ATOM 675 CA ILE A 45 -9.082 6.555 -6.712 1.00 0.00 C ATOM 676 C ILE A 45 -9.242 5.895 -8.080 1.00 0.00 C ATOM 677 O ILE A 45 -9.338 6.589 -9.085 1.00 0.00 O ATOM 678 CB ILE A 45 -7.661 6.370 -6.150 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.407 7.206 -4.883 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.577 6.634 -7.201 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.348 8.721 -5.091 1.00 0.00 C ATOM 0 H ILE A 45 -9.639 5.622 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.252 7.625 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.597 5.320 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.194 6.987 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.466 6.882 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.594 6.490 -6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.702 5.942 -8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.664 7.658 -7.564 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.165 9.213 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.542 8.962 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.296 9.069 -5.502 1.00 0.00 H new ATOM 693 N ALA A 46 -9.275 4.562 -8.133 1.00 0.00 N ATOM 694 CA ALA A 46 -9.430 3.835 -9.383 1.00 0.00 C ATOM 695 C ALA A 46 -10.641 4.353 -10.148 1.00 0.00 C ATOM 696 O ALA A 46 -10.535 4.659 -11.331 1.00 0.00 O ATOM 697 CB ALA A 46 -9.549 2.335 -9.119 1.00 0.00 C ATOM 0 H ALA A 46 -9.195 3.963 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.544 3.999 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.664 1.807 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.650 1.982 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.418 2.144 -8.489 1.00 0.00 H new ATOM 703 N ASP A 47 -11.782 4.475 -9.462 1.00 0.00 N ATOM 704 CA ASP A 47 -13.005 4.983 -10.065 1.00 0.00 C ATOM 705 C ASP A 47 -12.801 6.414 -10.581 1.00 0.00 C ATOM 706 O ASP A 47 -13.042 6.698 -11.755 1.00 0.00 O ATOM 707 CB ASP A 47 -14.158 4.899 -9.060 1.00 0.00 C ATOM 708 CG ASP A 47 -15.478 5.266 -9.727 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.776 6.479 -9.773 1.00 0.00 O ATOM 710 OD2 ASP A 47 -16.161 4.325 -10.186 1.00 0.00 O ATOM 0 H ASP A 47 -11.877 4.224 -8.478 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.263 4.364 -10.925 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.219 3.890 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.968 5.571 -8.223 1.00 0.00 H new ATOM 715 N GLU A 48 -12.358 7.312 -9.699 1.00 0.00 N ATOM 716 CA GLU A 48 -12.129 8.717 -10.009 1.00 0.00 C ATOM 717 C GLU A 48 -11.200 8.901 -11.217 1.00 0.00 C ATOM 718 O GLU A 48 -11.466 9.734 -12.080 1.00 0.00 O ATOM 719 CB GLU A 48 -11.549 9.423 -8.776 1.00 0.00 C ATOM 720 CG GLU A 48 -12.554 9.558 -7.623 1.00 0.00 C ATOM 721 CD GLU A 48 -11.867 10.084 -6.367 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.214 9.261 -5.690 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.994 11.300 -6.108 1.00 0.00 O ATOM 0 H GLU A 48 -12.145 7.074 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.087 9.163 -10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.678 8.870 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.202 10.415 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.359 10.233 -7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.009 8.590 -7.416 1.00 0.00 H new ATOM 730 N TYR A 49 -10.100 8.146 -11.265 1.00 0.00 N ATOM 731 CA TYR A 49 -9.084 8.236 -12.307 1.00 0.00 C ATOM 732 C TYR A 49 -9.267 7.153 -13.383 1.00 0.00 C ATOM 733 O TYR A 49 -8.286 6.740 -14.007 1.00 0.00 O ATOM 734 CB TYR A 49 -7.685 8.184 -11.664 1.00 0.00 C ATOM 735 CG TYR A 49 -7.300 9.383 -10.810 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.830 9.529 -9.516 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.321 10.293 -11.256 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.387 10.559 -8.675 1.00 0.00 C ATOM 739 CE2 TYR A 49 -5.850 11.308 -10.398 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.374 11.429 -9.100 1.00 0.00 C ATOM 741 OH TYR A 49 -5.895 12.369 -8.236 1.00 0.00 O ATOM 0 H TYR A 49 -9.889 7.439 -10.561 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.194 9.190 -12.823 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.624 7.288 -11.046 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.946 8.075 -12.458 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.586 8.841 -9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.930 10.213 -12.259 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.828 10.683 -7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.087 11.992 -10.738 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.944 12.203 -8.067 1.00 0.00 H new ATOM 751 N GLN A 50 -10.501 6.700 -13.644 1.00 0.00 N ATOM 752 CA GLN A 50 -10.751 5.713 -14.690 1.00 0.00 C ATOM 753 C GLN A 50 -10.170 6.204 -16.020 1.00 0.00 C ATOM 754 O GLN A 50 -10.432 7.327 -16.441 1.00 0.00 O ATOM 755 CB GLN A 50 -12.258 5.447 -14.830 1.00 0.00 C ATOM 756 CG GLN A 50 -12.698 4.291 -13.930 1.00 0.00 C ATOM 757 CD GLN A 50 -14.215 4.171 -13.831 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.805 3.216 -14.325 1.00 0.00 O ATOM 759 NE2 GLN A 50 -14.856 5.130 -13.174 1.00 0.00 N ATOM 0 H GLN A 50 -11.336 7.004 -13.144 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.263 4.778 -14.415 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.815 6.347 -14.570 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.495 5.214 -15.868 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.288 3.358 -14.316 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.282 4.433 -12.932 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.335 5.911 -12.775 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.870 5.086 -13.068 1.00 0.00 H new ATOM 768 N GLY A 51 -9.348 5.371 -16.664 1.00 0.00 N ATOM 769 CA GLY A 51 -8.705 5.704 -17.928 1.00 0.00 C ATOM 770 C GLY A 51 -7.489 6.623 -17.763 1.00 0.00 C ATOM 771 O GLY A 51 -6.711 6.763 -18.703 1.00 0.00 O ATOM 0 H GLY A 51 -9.112 4.442 -16.317 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.393 4.784 -18.423 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.431 6.187 -18.582 1.00 0.00 H new ATOM 775 N LYS A 52 -7.306 7.237 -16.589 1.00 0.00 N ATOM 776 CA LYS A 52 -6.196 8.134 -16.303 1.00 0.00 C ATOM 777 C LYS A 52 -5.111 7.391 -15.524 1.00 0.00 C ATOM 778 O LYS A 52 -3.927 7.611 -15.768 1.00 0.00 O ATOM 779 CB LYS A 52 -6.701 9.350 -15.512 1.00 0.00 C ATOM 780 CG LYS A 52 -7.760 10.145 -16.289 1.00 0.00 C ATOM 781 CD LYS A 52 -8.385 11.264 -15.445 1.00 0.00 C ATOM 782 CE LYS A 52 -7.358 12.299 -14.970 1.00 0.00 C ATOM 783 NZ LYS A 52 -8.011 13.416 -14.268 1.00 0.00 N ATOM 0 H LYS A 52 -7.941 7.118 -15.800 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.764 8.486 -17.240 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.123 9.016 -14.564 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.860 10.002 -15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.305 10.577 -17.181 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.544 9.467 -16.627 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.155 11.766 -16.030 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.879 10.825 -14.578 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.637 11.821 -14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.800 12.680 -15.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.291 14.100 -13.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.681 13.885 -14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.523 13.053 -13.439 1.00 0.00 H new ATOM 797 N LEU A 53 -5.503 6.525 -14.582 1.00 0.00 N ATOM 798 CA LEU A 53 -4.570 5.773 -13.754 1.00 0.00 C ATOM 799 C LEU A 53 -5.038 4.331 -13.608 1.00 0.00 C ATOM 800 O LEU A 53 -6.181 4.086 -13.226 1.00 0.00 O ATOM 801 CB LEU A 53 -4.492 6.437 -12.374 1.00 0.00 C ATOM 802 CG LEU A 53 -3.482 5.784 -11.421 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.037 6.088 -11.833 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.737 6.324 -10.015 1.00 0.00 C ATOM 0 H LEU A 53 -6.483 6.330 -14.376 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.586 5.770 -14.223 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.228 7.487 -12.502 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.480 6.410 -11.913 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.612 4.702 -11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.351 5.609 -11.135 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.857 5.706 -12.838 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.874 7.166 -11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.030 5.874 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.609 7.406 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.754 6.078 -9.710 1.00 0.00 H new ATOM 816 N THR A 54 -4.145 3.373 -13.862 1.00 0.00 N ATOM 817 CA THR A 54 -4.441 1.964 -13.670 1.00 0.00 C ATOM 818 C THR A 54 -4.055 1.607 -12.233 1.00 0.00 C ATOM 819 O THR A 54 -2.876 1.432 -11.926 1.00 0.00 O ATOM 820 CB THR A 54 -3.671 1.138 -14.707 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.022 1.576 -16.003 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.954 -0.362 -14.598 1.00 0.00 C ATOM 0 H THR A 54 -3.202 3.557 -14.205 1.00 0.00 H new ATOM 0 HA THR A 54 -5.499 1.745 -13.814 1.00 0.00 H new ATOM 0 HB THR A 54 -2.609 1.287 -14.514 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.531 1.052 -16.670 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.382 -0.896 -15.357 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.664 -0.716 -13.609 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.018 -0.544 -14.751 1.00 0.00 H new ATOM 830 N VAL A 55 -5.035 1.512 -11.336 1.00 0.00 N ATOM 831 CA VAL A 55 -4.763 1.152 -9.953 1.00 0.00 C ATOM 832 C VAL A 55 -4.590 -0.365 -9.886 1.00 0.00 C ATOM 833 O VAL A 55 -5.406 -1.122 -10.417 1.00 0.00 O ATOM 834 CB VAL A 55 -5.876 1.663 -9.032 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.608 1.259 -7.580 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.947 3.194 -9.091 1.00 0.00 C ATOM 0 H VAL A 55 -6.019 1.679 -11.545 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.845 1.624 -9.602 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.814 1.223 -9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.411 1.632 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.563 0.172 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.659 1.684 -7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.741 3.547 -8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.995 3.615 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.156 3.509 -10.113 1.00 0.00 H new ATOM 846 N ALA A 56 -3.507 -0.812 -9.253 1.00 0.00 N ATOM 847 CA ALA A 56 -3.160 -2.213 -9.148 1.00 0.00 C ATOM 848 C ALA A 56 -2.714 -2.564 -7.734 1.00 0.00 C ATOM 849 O ALA A 56 -2.215 -1.716 -6.992 1.00 0.00 O ATOM 850 CB ALA A 56 -2.071 -2.533 -10.175 1.00 0.00 C ATOM 0 H ALA A 56 -2.839 -0.193 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.039 -2.821 -9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.802 -3.587 -10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.442 -2.320 -11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.192 -1.920 -9.976 1.00 0.00 H new ATOM 856 N LYS A 57 -2.876 -3.833 -7.370 1.00 0.00 N ATOM 857 CA LYS A 57 -2.475 -4.397 -6.096 1.00 0.00 C ATOM 858 C LYS A 57 -1.620 -5.623 -6.389 1.00 0.00 C ATOM 859 O LYS A 57 -1.880 -6.333 -7.354 1.00 0.00 O ATOM 860 CB LYS A 57 -3.703 -4.782 -5.263 1.00 0.00 C ATOM 861 CG LYS A 57 -4.162 -3.625 -4.370 1.00 0.00 C ATOM 862 CD LYS A 57 -5.409 -4.037 -3.574 1.00 0.00 C ATOM 863 CE LYS A 57 -5.846 -2.953 -2.583 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.901 -2.810 -1.459 1.00 0.00 N ATOM 0 H LYS A 57 -3.310 -4.521 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.909 -3.666 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.516 -5.075 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.467 -5.648 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.361 -3.343 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.383 -2.750 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.226 -4.247 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.204 -4.961 -3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.933 -2.000 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.835 -3.196 -2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.287 -2.140 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.758 -3.735 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.991 -2.454 -1.814 1.00 0.00 H new ATOM 878 N LEU A 58 -0.595 -5.868 -5.578 1.00 0.00 N ATOM 879 CA LEU A 58 0.303 -6.996 -5.742 1.00 0.00 C ATOM 880 C LEU A 58 0.477 -7.690 -4.397 1.00 0.00 C ATOM 881 O LEU A 58 0.997 -7.103 -3.450 1.00 0.00 O ATOM 882 CB LEU A 58 1.607 -6.480 -6.344 1.00 0.00 C ATOM 883 CG LEU A 58 2.505 -7.624 -6.831 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.381 -7.070 -7.950 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.392 -8.202 -5.725 1.00 0.00 C ATOM 0 H LEU A 58 -0.366 -5.278 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.095 -7.746 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.383 -5.814 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.142 -5.890 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 58 1.870 -8.441 -7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.036 -7.857 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.749 -6.708 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.985 -6.248 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.003 -9.007 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.039 -7.419 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.766 -8.592 -4.923 1.00 0.00 H new ATOM 897 N ASN A 59 0.014 -8.937 -4.298 1.00 0.00 N ATOM 898 CA ASN A 59 0.083 -9.697 -3.061 1.00 0.00 C ATOM 899 C ASN A 59 1.482 -10.291 -2.869 1.00 0.00 C ATOM 900 O ASN A 59 1.826 -11.274 -3.532 1.00 0.00 O ATOM 901 CB ASN A 59 -0.981 -10.792 -3.070 1.00 0.00 C ATOM 902 CG ASN A 59 -0.988 -11.479 -1.715 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.319 -12.486 -1.517 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.723 -10.931 -0.758 1.00 0.00 N ATOM 0 H ASN A 59 -0.417 -9.442 -5.073 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.111 -9.029 -2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.961 -10.364 -3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.772 -11.515 -3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.742 -11.348 0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.270 -10.092 -0.952 1.00 0.00 H new ATOM 911 N ILE A 60 2.287 -9.707 -1.975 1.00 0.00 N ATOM 912 CA ILE A 60 3.651 -10.165 -1.737 1.00 0.00 C ATOM 913 C ILE A 60 3.703 -11.520 -1.030 1.00 0.00 C ATOM 914 O ILE A 60 4.655 -12.261 -1.235 1.00 0.00 O ATOM 915 CB ILE A 60 4.534 -9.113 -1.042 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.205 -8.896 0.446 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.492 -7.791 -1.819 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.358 -8.214 1.190 1.00 0.00 C ATOM 0 H ILE A 60 2.010 -8.910 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 60 4.083 -10.312 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 60 5.549 -9.511 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.305 -8.287 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.988 -9.856 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.120 -7.054 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.860 -7.953 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.466 -7.425 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.086 -8.079 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.251 -8.835 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.558 -7.242 0.739 1.00 0.00 H new ATOM 930 N ASP A 61 2.699 -11.868 -0.213 1.00 0.00 N ATOM 931 CA ASP A 61 2.694 -13.174 0.450 1.00 0.00 C ATOM 932 C ASP A 61 2.771 -14.271 -0.617 1.00 0.00 C ATOM 933 O ASP A 61 3.561 -15.203 -0.503 1.00 0.00 O ATOM 934 CB ASP A 61 1.453 -13.360 1.338 1.00 0.00 C ATOM 935 CG ASP A 61 1.498 -12.624 2.675 1.00 0.00 C ATOM 936 OD1 ASP A 61 2.585 -12.141 3.064 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.423 -12.559 3.311 1.00 0.00 O ATOM 0 H ASP A 61 1.897 -11.275 0.000 1.00 0.00 H new ATOM 0 HA ASP A 61 3.561 -13.237 1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.576 -13.024 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.320 -14.424 1.531 1.00 0.00 H new ATOM 942 N GLN A 62 1.960 -14.133 -1.667 1.00 0.00 N ATOM 943 CA GLN A 62 1.951 -15.053 -2.793 1.00 0.00 C ATOM 944 C GLN A 62 3.173 -14.801 -3.684 1.00 0.00 C ATOM 945 O GLN A 62 3.734 -15.746 -4.234 1.00 0.00 O ATOM 946 CB GLN A 62 0.662 -14.859 -3.608 1.00 0.00 C ATOM 947 CG GLN A 62 -0.652 -15.376 -2.987 1.00 0.00 C ATOM 948 CD GLN A 62 -0.559 -15.927 -1.565 1.00 0.00 C ATOM 949 OE1 GLN A 62 -0.383 -17.124 -1.367 1.00 0.00 O ATOM 950 NE2 GLN A 62 -0.697 -15.069 -0.560 1.00 0.00 N ATOM 0 H GLN A 62 1.287 -13.371 -1.755 1.00 0.00 H new ATOM 0 HA GLN A 62 1.990 -16.076 -2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.545 -13.794 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.795 -15.350 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.376 -14.561 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.050 -16.159 -3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.842 -14.078 -0.752 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.657 -15.401 0.403 1.00 0.00 H new ATOM 959 N ASN A 63 3.559 -13.532 -3.873 1.00 0.00 N ATOM 960 CA ASN A 63 4.641 -13.125 -4.771 1.00 0.00 C ATOM 961 C ASN A 63 5.797 -12.455 -4.018 1.00 0.00 C ATOM 962 O ASN A 63 6.030 -11.259 -4.212 1.00 0.00 O ATOM 963 CB ASN A 63 4.059 -12.157 -5.809 1.00 0.00 C ATOM 964 CG ASN A 63 2.896 -12.779 -6.567 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.093 -13.461 -7.565 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.672 -12.540 -6.113 1.00 0.00 N ATOM 0 H ASN A 63 3.117 -12.746 -3.395 1.00 0.00 H new ATOM 0 HA ASN A 63 5.051 -14.013 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.724 -11.247 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.839 -11.866 -6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.863 -12.928 -6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.540 -11.968 -5.279 1.00 0.00 H new ATOM 973 N PRO A 64 6.543 -13.184 -3.175 1.00 0.00 N ATOM 974 CA PRO A 64 7.609 -12.603 -2.373 1.00 0.00 C ATOM 975 C PRO A 64 8.678 -11.927 -3.226 1.00 0.00 C ATOM 976 O PRO A 64 9.054 -10.798 -2.930 1.00 0.00 O ATOM 977 CB PRO A 64 8.161 -13.738 -1.507 1.00 0.00 C ATOM 978 CG PRO A 64 7.725 -15.011 -2.235 1.00 0.00 C ATOM 979 CD PRO A 64 6.404 -14.601 -2.884 1.00 0.00 C ATOM 0 HA PRO A 64 7.229 -11.798 -1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.246 -13.681 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.757 -13.700 -0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.460 -15.323 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.594 -15.845 -1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.218 -15.173 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.563 -14.784 -2.215 1.00 0.00 H new ATOM 987 N GLY A 65 9.154 -12.610 -4.274 1.00 0.00 N ATOM 988 CA GLY A 65 10.200 -12.155 -5.190 1.00 0.00 C ATOM 989 C GLY A 65 10.124 -10.676 -5.586 1.00 0.00 C ATOM 990 O GLY A 65 11.155 -10.022 -5.748 1.00 0.00 O ATOM 0 H GLY A 65 8.803 -13.537 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.170 -12.342 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.155 -12.760 -6.096 1.00 0.00 H new ATOM 994 N THR A 66 8.915 -10.130 -5.722 1.00 0.00 N ATOM 995 CA THR A 66 8.737 -8.733 -6.077 1.00 0.00 C ATOM 996 C THR A 66 9.347 -7.801 -5.026 1.00 0.00 C ATOM 997 O THR A 66 9.936 -6.780 -5.379 1.00 0.00 O ATOM 998 CB THR A 66 7.255 -8.432 -6.311 1.00 0.00 C ATOM 999 OG1 THR A 66 6.485 -8.692 -5.152 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.724 -9.214 -7.511 1.00 0.00 C ATOM 0 H THR A 66 8.043 -10.643 -5.589 1.00 0.00 H new ATOM 0 HA THR A 66 9.273 -8.546 -7.008 1.00 0.00 H new ATOM 0 HB THR A 66 7.163 -7.369 -6.533 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.433 -9.659 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.669 -8.984 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.284 -8.935 -8.404 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.840 -10.282 -7.329 1.00 0.00 H new ATOM 1008 N ALA A 67 9.221 -8.140 -3.738 1.00 0.00 N ATOM 1009 CA ALA A 67 9.757 -7.307 -2.675 1.00 0.00 C ATOM 1010 C ALA A 67 11.263 -7.073 -2.847 1.00 0.00 C ATOM 1011 O ALA A 67 11.649 -5.926 -3.072 1.00 0.00 O ATOM 1012 CB ALA A 67 9.274 -7.742 -1.288 1.00 0.00 C ATOM 0 H ALA A 67 8.752 -8.986 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 67 9.334 -6.306 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.704 -7.086 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.187 -7.681 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.587 -8.769 -1.099 1.00 0.00 H new ATOM 1018 N PRO A 68 12.113 -8.113 -2.801 1.00 0.00 N ATOM 1019 CA PRO A 68 13.530 -7.986 -3.098 1.00 0.00 C ATOM 1020 C PRO A 68 13.764 -7.232 -4.413 1.00 0.00 C ATOM 1021 O PRO A 68 14.541 -6.280 -4.438 1.00 0.00 O ATOM 1022 CB PRO A 68 14.070 -9.419 -3.194 1.00 0.00 C ATOM 1023 CG PRO A 68 13.100 -10.237 -2.347 1.00 0.00 C ATOM 1024 CD PRO A 68 11.780 -9.493 -2.505 1.00 0.00 C ATOM 0 HA PRO A 68 14.039 -7.413 -2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 68 14.092 -9.769 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.089 -9.488 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.026 -11.265 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.415 -10.280 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.184 -9.928 -3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.186 -9.561 -1.594 1.00 0.00 H new ATOM 1032 N LYS A 69 13.091 -7.646 -5.499 1.00 0.00 N ATOM 1033 CA LYS A 69 13.267 -7.028 -6.812 1.00 0.00 C ATOM 1034 C LYS A 69 13.108 -5.508 -6.773 1.00 0.00 C ATOM 1035 O LYS A 69 13.877 -4.809 -7.428 1.00 0.00 O ATOM 1036 CB LYS A 69 12.309 -7.637 -7.843 1.00 0.00 C ATOM 1037 CG LYS A 69 12.744 -9.041 -8.282 1.00 0.00 C ATOM 1038 CD LYS A 69 11.656 -9.661 -9.167 1.00 0.00 C ATOM 1039 CE LYS A 69 12.047 -11.073 -9.608 1.00 0.00 C ATOM 1040 NZ LYS A 69 11.000 -11.675 -10.453 1.00 0.00 N ATOM 0 H LYS A 69 12.417 -8.412 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 69 14.292 -7.239 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.306 -7.685 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.256 -6.986 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.685 -8.987 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.918 -9.669 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.713 -9.695 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.494 -9.034 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.987 -11.038 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.214 -11.698 -8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.226 -12.675 -10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.082 -11.606 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.953 -11.169 -11.361 1.00 0.00 H new ATOM 1054 N TYR A 70 12.127 -4.992 -6.023 1.00 0.00 N ATOM 1055 CA TYR A 70 11.900 -3.554 -5.932 1.00 0.00 C ATOM 1056 C TYR A 70 12.403 -2.984 -4.606 1.00 0.00 C ATOM 1057 O TYR A 70 11.981 -1.899 -4.214 1.00 0.00 O ATOM 1058 CB TYR A 70 10.425 -3.257 -6.238 1.00 0.00 C ATOM 1059 CG TYR A 70 10.122 -3.491 -7.707 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.591 -2.553 -8.646 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.726 -4.770 -8.144 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.790 -2.932 -9.986 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.938 -5.153 -9.479 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.529 -4.254 -10.379 1.00 0.00 C ATOM 1065 OH TYR A 70 10.849 -4.671 -11.636 1.00 0.00 O ATOM 0 H TYR A 70 11.479 -5.554 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 70 12.491 -3.033 -6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.786 -3.893 -5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.195 -2.225 -5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.799 -1.539 -8.337 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.259 -5.456 -7.453 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.142 -2.210 -10.708 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.646 -6.138 -9.812 1.00 0.00 H new ATOM 0 HH TYR A 70 10.602 -5.613 -11.741 1.00 0.00 H new ATOM 1075 N GLY A 71 13.316 -3.695 -3.928 1.00 0.00 N ATOM 1076 CA GLY A 71 13.896 -3.284 -2.655 1.00 0.00 C ATOM 1077 C GLY A 71 12.831 -2.762 -1.694 1.00 0.00 C ATOM 1078 O GLY A 71 13.033 -1.744 -1.029 1.00 0.00 O ATOM 0 H GLY A 71 13.675 -4.589 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.414 -4.129 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.642 -2.508 -2.828 1.00 0.00 H new ATOM 1082 N ILE A 72 11.685 -3.440 -1.639 1.00 0.00 N ATOM 1083 CA ILE A 72 10.571 -3.015 -0.808 1.00 0.00 C ATOM 1084 C ILE A 72 11.010 -2.925 0.652 1.00 0.00 C ATOM 1085 O ILE A 72 11.487 -3.896 1.233 1.00 0.00 O ATOM 1086 CB ILE A 72 9.373 -3.951 -1.009 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.832 -3.901 -2.448 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.257 -3.652 0.000 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.267 -2.576 -2.925 1.00 0.00 C ATOM 0 H ILE A 72 11.508 -4.294 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 72 10.249 -2.018 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 72 9.733 -4.964 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.638 -4.189 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.052 -4.656 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.422 -4.332 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.636 -3.787 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.918 -2.624 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.921 -2.677 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.432 -2.286 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.042 -1.811 -2.877 1.00 0.00 H new ATOM 1101 N ARG A 73 10.841 -1.734 1.228 1.00 0.00 N ATOM 1102 CA ARG A 73 11.231 -1.442 2.594 1.00 0.00 C ATOM 1103 C ARG A 73 10.187 -1.971 3.578 1.00 0.00 C ATOM 1104 O ARG A 73 10.533 -2.492 4.634 1.00 0.00 O ATOM 1105 CB ARG A 73 11.403 0.072 2.750 1.00 0.00 C ATOM 1106 CG ARG A 73 12.423 0.701 1.790 1.00 0.00 C ATOM 1107 CD ARG A 73 13.817 0.076 1.909 1.00 0.00 C ATOM 1108 NE ARG A 73 14.852 0.978 1.381 1.00 0.00 N ATOM 1109 CZ ARG A 73 15.123 1.200 0.085 1.00 0.00 C ATOM 1110 NH1 ARG A 73 14.496 0.523 -0.883 1.00 0.00 N ATOM 1111 NH2 ARG A 73 16.040 2.117 -0.237 1.00 0.00 N ATOM 0 H ARG A 73 10.423 -0.939 0.746 1.00 0.00 H new ATOM 0 HA ARG A 73 12.176 -1.939 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.436 0.552 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.708 0.286 3.774 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.067 0.590 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.491 1.770 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.028 -0.152 2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.842 -0.868 1.365 1.00 0.00 H new ATOM 0 HE ARG A 73 15.417 1.482 2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.796 -0.179 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.718 0.708 -1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.522 2.636 0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.258 2.298 -1.217 1.00 0.00 H new ATOM 1125 N GLY A 74 8.904 -1.829 3.237 1.00 0.00 N ATOM 1126 CA GLY A 74 7.801 -2.269 4.072 1.00 0.00 C ATOM 1127 C GLY A 74 6.497 -1.946 3.353 1.00 0.00 C ATOM 1128 O GLY A 74 6.428 -0.951 2.634 1.00 0.00 O ATOM 0 H GLY A 74 8.606 -1.399 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.874 -3.340 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.835 -1.769 5.040 1.00 0.00 H new ATOM 1132 N ILE A 75 5.481 -2.794 3.529 1.00 0.00 N ATOM 1133 CA ILE A 75 4.177 -2.642 2.896 1.00 0.00 C ATOM 1134 C ILE A 75 3.207 -1.887 3.820 1.00 0.00 C ATOM 1135 O ILE A 75 3.382 -1.940 5.038 1.00 0.00 O ATOM 1136 CB ILE A 75 3.636 -4.012 2.447 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.802 -5.088 3.531 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.343 -4.451 1.157 1.00 0.00 C ATOM 1139 CD1 ILE A 75 2.885 -6.280 3.258 1.00 0.00 C ATOM 0 H ILE A 75 5.547 -3.618 4.126 1.00 0.00 H new ATOM 0 HA ILE A 75 4.283 -2.034 1.997 1.00 0.00 H new ATOM 0 HB ILE A 75 2.567 -3.900 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.839 -5.421 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.573 -4.664 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.957 -5.421 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.159 -3.716 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.415 -4.528 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.020 -7.029 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.847 -5.947 3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.133 -6.716 2.290 1.00 0.00 H new ATOM 1151 N PRO A 76 2.189 -1.183 3.285 1.00 0.00 N ATOM 1152 CA PRO A 76 1.885 -1.018 1.869 1.00 0.00 C ATOM 1153 C PRO A 76 2.956 -0.176 1.174 1.00 0.00 C ATOM 1154 O PRO A 76 3.443 0.795 1.752 1.00 0.00 O ATOM 1155 CB PRO A 76 0.526 -0.311 1.811 1.00 0.00 C ATOM 1156 CG PRO A 76 0.471 0.458 3.128 1.00 0.00 C ATOM 1157 CD PRO A 76 1.223 -0.457 4.093 1.00 0.00 C ATOM 0 HA PRO A 76 1.861 -1.980 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.457 0.357 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.294 -1.024 1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.947 1.435 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.555 0.630 3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.721 0.121 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.539 -1.142 4.594 1.00 0.00 H new ATOM 1165 N THR A 77 3.337 -0.559 -0.047 1.00 0.00 N ATOM 1166 CA THR A 77 4.342 0.155 -0.828 1.00 0.00 C ATOM 1167 C THR A 77 3.714 0.458 -2.182 1.00 0.00 C ATOM 1168 O THR A 77 3.440 -0.469 -2.940 1.00 0.00 O ATOM 1169 CB THR A 77 5.618 -0.687 -1.001 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.809 -1.554 0.092 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.847 0.219 -1.114 1.00 0.00 C ATOM 0 H THR A 77 2.954 -1.377 -0.521 1.00 0.00 H new ATOM 0 HA THR A 77 4.639 1.071 -0.318 1.00 0.00 H new ATOM 0 HB THR A 77 5.496 -1.272 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.027 -1.030 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.740 -0.393 -1.236 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.737 0.876 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.940 0.821 -0.210 1.00 0.00 H new ATOM 1179 N LEU A 78 3.473 1.733 -2.486 1.00 0.00 N ATOM 1180 CA LEU A 78 2.884 2.140 -3.748 1.00 0.00 C ATOM 1181 C LEU A 78 4.031 2.496 -4.691 1.00 0.00 C ATOM 1182 O LEU A 78 4.840 3.362 -4.359 1.00 0.00 O ATOM 1183 CB LEU A 78 1.902 3.317 -3.581 1.00 0.00 C ATOM 1184 CG LEU A 78 1.171 3.386 -2.230 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.280 4.630 -2.193 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.292 2.159 -1.978 1.00 0.00 C ATOM 0 H LEU A 78 3.683 2.509 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 78 2.291 1.323 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.451 4.248 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.157 3.260 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 78 1.936 3.424 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.238 4.678 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.894 5.521 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.452 4.577 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.202 2.257 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.460 2.083 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.911 1.262 -1.980 1.00 0.00 H new ATOM 1198 N LEU A 79 4.122 1.837 -5.845 1.00 0.00 N ATOM 1199 CA LEU A 79 5.120 2.098 -6.876 1.00 0.00 C ATOM 1200 C LEU A 79 4.335 2.611 -8.076 1.00 0.00 C ATOM 1201 O LEU A 79 3.494 1.885 -8.603 1.00 0.00 O ATOM 1202 CB LEU A 79 5.839 0.802 -7.282 1.00 0.00 C ATOM 1203 CG LEU A 79 6.944 0.241 -6.371 1.00 0.00 C ATOM 1204 CD1 LEU A 79 8.249 1.022 -6.514 1.00 0.00 C ATOM 1205 CD2 LEU A 79 6.531 0.152 -4.903 1.00 0.00 C ATOM 0 H LEU A 79 3.482 1.083 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 79 5.872 2.803 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.081 0.027 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.277 0.964 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 79 7.112 -0.780 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.003 0.594 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.596 0.966 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.080 2.065 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.356 -0.252 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.277 1.146 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.664 -0.502 -4.808 1.00 0.00 H new ATOM 1217 N LEU A 80 4.584 3.846 -8.509 1.00 0.00 N ATOM 1218 CA LEU A 80 3.877 4.430 -9.635 1.00 0.00 C ATOM 1219 C LEU A 80 4.709 4.213 -10.896 1.00 0.00 C ATOM 1220 O LEU A 80 5.648 4.957 -11.162 1.00 0.00 O ATOM 1221 CB LEU A 80 3.581 5.893 -9.315 1.00 0.00 C ATOM 1222 CG LEU A 80 2.758 6.637 -10.381 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.761 5.765 -11.156 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.942 7.705 -9.655 1.00 0.00 C ATOM 0 H LEU A 80 5.279 4.463 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 80 2.914 3.954 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.047 5.941 -8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.526 6.417 -9.176 1.00 0.00 H new ATOM 0 HG LEU A 80 3.471 7.024 -11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.229 6.379 -11.883 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.298 4.971 -11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.046 5.325 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.342 8.258 -10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.286 7.229 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.616 8.391 -9.142 1.00 0.00 H new ATOM 1236 N PHE A 81 4.360 3.175 -11.655 1.00 0.00 N ATOM 1237 CA PHE A 81 5.038 2.762 -12.871 1.00 0.00 C ATOM 1238 C PHE A 81 4.443 3.450 -14.099 1.00 0.00 C ATOM 1239 O PHE A 81 3.341 3.100 -14.517 1.00 0.00 O ATOM 1240 CB PHE A 81 4.909 1.241 -13.023 1.00 0.00 C ATOM 1241 CG PHE A 81 5.849 0.437 -12.146 1.00 0.00 C ATOM 1242 CD1 PHE A 81 7.117 0.077 -12.636 1.00 0.00 C ATOM 1243 CD2 PHE A 81 5.429 -0.035 -10.891 1.00 0.00 C ATOM 1244 CE1 PHE A 81 7.953 -0.773 -11.893 1.00 0.00 C ATOM 1245 CE2 PHE A 81 6.263 -0.892 -10.150 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.544 -1.214 -10.625 1.00 0.00 C ATOM 0 H PHE A 81 3.565 2.579 -11.426 1.00 0.00 H new ATOM 0 HA PHE A 81 6.087 3.049 -12.798 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.883 0.952 -12.794 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.090 0.977 -14.065 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.451 0.457 -13.590 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.468 0.260 -10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.905 -1.085 -12.295 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.917 -1.303 -9.213 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.215 -1.801 -10.015 1.00 0.00 H new ATOM 1256 N LYS A 82 5.191 4.361 -14.721 1.00 0.00 N ATOM 1257 CA LYS A 82 4.837 4.971 -15.994 1.00 0.00 C ATOM 1258 C LYS A 82 5.586 4.176 -17.059 1.00 0.00 C ATOM 1259 O LYS A 82 6.814 4.201 -17.074 1.00 0.00 O ATOM 1260 CB LYS A 82 5.266 6.443 -16.042 1.00 0.00 C ATOM 1261 CG LYS A 82 4.253 7.370 -15.369 1.00 0.00 C ATOM 1262 CD LYS A 82 4.695 8.826 -15.583 1.00 0.00 C ATOM 1263 CE LYS A 82 3.628 9.840 -15.168 1.00 0.00 C ATOM 1264 NZ LYS A 82 2.463 9.808 -16.069 1.00 0.00 N ATOM 0 H LYS A 82 6.076 4.699 -14.344 1.00 0.00 H new ATOM 0 HA LYS A 82 3.758 4.950 -16.149 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.234 6.552 -15.553 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.397 6.746 -17.081 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.260 7.212 -15.789 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.188 7.148 -14.304 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.606 9.011 -15.013 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.941 8.975 -16.634 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.305 9.631 -14.148 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.059 10.841 -15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.980 10.729 -16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.780 9.608 -17.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.805 9.064 -15.760 1.00 0.00 H new ATOM 1278 N ASN A 83 4.873 3.459 -17.933 1.00 0.00 N ATOM 1279 CA ASN A 83 5.486 2.658 -18.998 1.00 0.00 C ATOM 1280 C ASN A 83 6.643 1.800 -18.463 1.00 0.00 C ATOM 1281 O ASN A 83 7.737 1.788 -19.022 1.00 0.00 O ATOM 1282 CB ASN A 83 5.939 3.555 -20.168 1.00 0.00 C ATOM 1283 CG ASN A 83 4.764 4.067 -20.993 1.00 0.00 C ATOM 1284 OD1 ASN A 83 3.859 4.716 -20.477 1.00 0.00 O ATOM 1285 ND2 ASN A 83 4.738 3.758 -22.287 1.00 0.00 N ATOM 0 H ASN A 83 3.854 3.417 -17.922 1.00 0.00 H new ATOM 0 HA ASN A 83 4.729 1.972 -19.378 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.502 4.402 -19.776 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.615 2.994 -20.813 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.957 4.061 -22.868 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.500 3.218 -22.698 1.00 0.00 H new ATOM 1292 N GLY A 84 6.408 1.085 -17.360 1.00 0.00 N ATOM 1293 CA GLY A 84 7.410 0.211 -16.761 1.00 0.00 C ATOM 1294 C GLY A 84 8.504 0.928 -15.964 1.00 0.00 C ATOM 1295 O GLY A 84 9.290 0.254 -15.300 1.00 0.00 O ATOM 0 H GLY A 84 5.519 1.098 -16.861 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.906 -0.496 -16.102 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.881 -0.372 -17.552 1.00 0.00 H new ATOM 1299 N GLU A 85 8.562 2.264 -15.977 1.00 0.00 N ATOM 1300 CA GLU A 85 9.551 3.033 -15.232 1.00 0.00 C ATOM 1301 C GLU A 85 8.908 3.606 -13.970 1.00 0.00 C ATOM 1302 O GLU A 85 7.888 4.287 -14.051 1.00 0.00 O ATOM 1303 CB GLU A 85 10.096 4.164 -16.111 1.00 0.00 C ATOM 1304 CG GLU A 85 10.841 3.597 -17.323 1.00 0.00 C ATOM 1305 CD GLU A 85 11.320 4.710 -18.248 1.00 0.00 C ATOM 1306 OE1 GLU A 85 10.527 5.098 -19.133 1.00 0.00 O ATOM 1307 OE2 GLU A 85 12.467 5.161 -18.043 1.00 0.00 O ATOM 0 H GLU A 85 7.915 2.843 -16.512 1.00 0.00 H new ATOM 0 HA GLU A 85 10.377 2.383 -14.945 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.275 4.798 -16.446 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.767 4.794 -15.527 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.694 3.009 -16.986 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.185 2.921 -17.872 1.00 0.00 H new ATOM 1314 N VAL A 86 9.507 3.350 -12.805 1.00 0.00 N ATOM 1315 CA VAL A 86 9.012 3.893 -11.545 1.00 0.00 C ATOM 1316 C VAL A 86 9.185 5.416 -11.581 1.00 0.00 C ATOM 1317 O VAL A 86 10.305 5.914 -11.498 1.00 0.00 O ATOM 1318 CB VAL A 86 9.743 3.263 -10.342 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.253 3.873 -9.020 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.497 1.750 -10.275 1.00 0.00 C ATOM 0 H VAL A 86 10.339 2.767 -12.712 1.00 0.00 H new ATOM 0 HA VAL A 86 7.956 3.651 -11.423 1.00 0.00 H new ATOM 0 HB VAL A 86 10.805 3.464 -10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.784 3.412 -8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.443 4.946 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.183 3.695 -8.911 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.025 1.333 -9.417 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.429 1.559 -10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.863 1.281 -11.189 1.00 0.00 H new ATOM 1330 N ALA A 87 8.079 6.152 -11.698 1.00 0.00 N ATOM 1331 CA ALA A 87 8.071 7.607 -11.734 1.00 0.00 C ATOM 1332 C ALA A 87 8.207 8.150 -10.312 1.00 0.00 C ATOM 1333 O ALA A 87 8.941 9.108 -10.075 1.00 0.00 O ATOM 1334 CB ALA A 87 6.766 8.084 -12.372 1.00 0.00 C ATOM 0 H ALA A 87 7.148 5.741 -11.771 1.00 0.00 H new ATOM 0 HA ALA A 87 8.908 7.974 -12.328 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.753 9.173 -12.402 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.692 7.692 -13.386 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.921 7.727 -11.783 1.00 0.00 H new ATOM 1340 N ALA A 88 7.513 7.518 -9.365 1.00 0.00 N ATOM 1341 CA ALA A 88 7.550 7.863 -7.955 1.00 0.00 C ATOM 1342 C ALA A 88 7.114 6.639 -7.163 1.00 0.00 C ATOM 1343 O ALA A 88 6.654 5.647 -7.735 1.00 0.00 O ATOM 1344 CB ALA A 88 6.630 9.051 -7.663 1.00 0.00 C ATOM 0 H ALA A 88 6.895 6.732 -9.569 1.00 0.00 H new ATOM 0 HA ALA A 88 8.560 8.157 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.673 9.292 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.954 9.914 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.606 8.794 -7.935 1.00 0.00 H new ATOM 1350 N THR A 89 7.246 6.713 -5.840 1.00 0.00 N ATOM 1351 CA THR A 89 6.858 5.644 -4.950 1.00 0.00 C ATOM 1352 C THR A 89 6.495 6.242 -3.593 1.00 0.00 C ATOM 1353 O THR A 89 6.821 7.398 -3.321 1.00 0.00 O ATOM 1354 CB THR A 89 7.981 4.597 -4.866 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.572 3.503 -4.072 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.289 5.156 -4.299 1.00 0.00 C ATOM 0 H THR A 89 7.630 7.528 -5.361 1.00 0.00 H new ATOM 0 HA THR A 89 5.978 5.123 -5.328 1.00 0.00 H new ATOM 0 HB THR A 89 8.175 4.280 -5.891 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.612 3.351 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.039 4.366 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.644 5.967 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.117 5.534 -3.291 1.00 0.00 H new ATOM 1364 N LYS A 90 5.809 5.458 -2.763 1.00 0.00 N ATOM 1365 CA LYS A 90 5.369 5.824 -1.431 1.00 0.00 C ATOM 1366 C LYS A 90 5.449 4.573 -0.565 1.00 0.00 C ATOM 1367 O LYS A 90 4.864 3.550 -0.913 1.00 0.00 O ATOM 1368 CB LYS A 90 3.930 6.350 -1.511 1.00 0.00 C ATOM 1369 CG LYS A 90 3.220 6.435 -0.153 1.00 0.00 C ATOM 1370 CD LYS A 90 3.875 7.365 0.878 1.00 0.00 C ATOM 1371 CE LYS A 90 4.046 8.794 0.353 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.506 9.700 1.419 1.00 0.00 N ATOM 0 H LYS A 90 5.536 4.509 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 90 5.993 6.607 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.941 7.340 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.353 5.702 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.196 6.769 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.164 5.433 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.268 7.384 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.850 6.964 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.763 8.800 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.099 9.153 -0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.613 10.661 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.808 9.711 2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.422 9.369 1.785 1.00 0.00 H new ATOM 1386 N VAL A 91 6.136 4.668 0.573 1.00 0.00 N ATOM 1387 CA VAL A 91 6.224 3.609 1.563 1.00 0.00 C ATOM 1388 C VAL A 91 5.249 4.010 2.670 1.00 0.00 C ATOM 1389 O VAL A 91 5.369 5.111 3.208 1.00 0.00 O ATOM 1390 CB VAL A 91 7.667 3.501 2.090 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.804 2.318 3.057 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.686 3.338 0.955 1.00 0.00 C ATOM 0 H VAL A 91 6.657 5.505 0.833 1.00 0.00 H new ATOM 0 HA VAL A 91 5.971 2.631 1.155 1.00 0.00 H new ATOM 0 HB VAL A 91 7.879 4.434 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.831 2.260 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.130 2.459 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.548 1.393 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.689 3.266 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.462 2.432 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.632 4.200 0.291 1.00 0.00 H new ATOM 1402 N GLY A 92 4.276 3.156 2.990 1.00 0.00 N ATOM 1403 CA GLY A 92 3.270 3.432 4.003 1.00 0.00 C ATOM 1404 C GLY A 92 1.965 3.928 3.378 1.00 0.00 C ATOM 1405 O GLY A 92 1.862 4.107 2.165 1.00 0.00 O ATOM 0 H GLY A 92 4.168 2.245 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.077 2.528 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.649 4.181 4.699 1.00 0.00 H new ATOM 1409 N ALA A 93 0.952 4.119 4.226 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.373 4.560 3.813 1.00 0.00 C ATOM 1411 C ALA A 93 -0.389 6.051 3.454 1.00 0.00 C ATOM 1412 O ALA A 93 0.595 6.763 3.647 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.372 4.247 4.933 1.00 0.00 C ATOM 0 H ALA A 93 1.035 3.968 5.231 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.660 4.021 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.368 4.573 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.383 3.173 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.076 4.771 5.842 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.535 6.516 2.950 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.794 7.893 2.560 1.00 0.00 C ATOM 1421 C LEU A 94 -3.264 8.190 2.832 1.00 0.00 C ATOM 1422 O LEU A 94 -4.090 7.278 2.806 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.576 8.053 1.048 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.169 8.502 0.641 1.00 0.00 C ATOM 1425 CD1 LEU A 94 0.060 8.149 -0.828 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -0.083 10.025 0.759 1.00 0.00 C ATOM 0 H LEU A 94 -2.341 5.910 2.798 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.131 8.559 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.792 7.101 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.297 8.777 0.667 1.00 0.00 H new ATOM 0 HG LEU A 94 0.567 8.015 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.060 8.465 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.035 7.072 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.681 8.658 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.915 10.356 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.821 10.483 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.281 10.322 1.789 1.00 0.00 H new ATOM 1438 N SER A 95 -3.596 9.469 3.017 1.00 0.00 N ATOM 1439 CA SER A 95 -4.966 9.931 3.117 1.00 0.00 C ATOM 1440 C SER A 95 -5.437 10.199 1.683 1.00 0.00 C ATOM 1441 O SER A 95 -4.617 10.449 0.798 1.00 0.00 O ATOM 1442 CB SER A 95 -4.996 11.194 3.984 1.00 0.00 C ATOM 1443 OG SER A 95 -3.993 12.095 3.555 1.00 0.00 O ATOM 0 H SER A 95 -2.906 10.216 3.102 1.00 0.00 H new ATOM 0 HA SER A 95 -5.628 9.203 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.975 11.668 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.838 10.932 5.030 1.00 0.00 H new ATOM 0 HG SER A 95 -4.018 12.901 4.112 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.750 10.133 1.437 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.303 10.320 0.099 1.00 0.00 C ATOM 1451 C LYS A 96 -6.754 11.586 -0.568 1.00 0.00 C ATOM 1452 O LYS A 96 -6.258 11.521 -1.687 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.837 10.306 0.155 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.435 10.213 -1.256 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.960 10.079 -1.194 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.525 9.948 -2.612 1.00 0.00 C ATOM 1457 NZ LYS A 96 -12.992 9.816 -2.602 1.00 0.00 N ATOM 0 H LYS A 96 -7.451 9.950 2.155 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.986 9.487 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.175 9.461 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.195 11.210 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.167 11.101 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.011 9.356 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.234 9.207 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.391 10.949 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.242 10.822 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.084 9.079 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.344 9.781 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.258 8.941 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.411 10.633 -2.113 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.832 12.730 0.116 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.344 13.997 -0.413 1.00 0.00 C ATOM 1473 C GLY A 97 -4.884 13.904 -0.860 1.00 0.00 C ATOM 1474 O GLY A 97 -4.567 14.142 -2.024 1.00 0.00 O ATOM 0 H GLY A 97 -7.235 12.800 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.963 14.301 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.442 14.770 0.349 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.992 13.533 0.064 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.572 13.402 -0.221 1.00 0.00 C ATOM 1480 C GLN A 98 -2.335 12.435 -1.379 1.00 0.00 C ATOM 1481 O GLN A 98 -1.503 12.698 -2.245 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.839 12.954 1.046 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.895 13.989 2.178 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.962 15.173 1.942 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.149 15.198 2.461 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.384 16.168 1.166 1.00 0.00 N ATOM 0 H GLN A 98 -4.241 13.316 1.029 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.176 14.370 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.274 12.018 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.797 12.749 0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.917 14.353 2.282 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.631 13.506 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.312 16.127 0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.780 16.971 0.993 1.00 0.00 H new ATOM 1495 N LEU A 99 -3.068 11.323 -1.413 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.949 10.356 -2.490 1.00 0.00 C ATOM 1497 C LEU A 99 -3.346 11.007 -3.818 1.00 0.00 C ATOM 1498 O LEU A 99 -2.587 10.932 -4.782 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.752 9.102 -2.132 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.726 7.970 -3.169 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.312 7.523 -3.562 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.438 6.767 -2.546 1.00 0.00 C ATOM 0 H LEU A 99 -3.753 11.073 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.916 10.031 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.376 8.711 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.789 9.393 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.207 8.342 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.375 6.721 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.770 8.366 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.785 7.164 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.441 5.939 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.916 6.466 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.465 7.039 -2.302 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.497 11.688 -3.876 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.917 12.390 -5.083 1.00 0.00 C ATOM 1516 C LYS A 100 -3.833 13.372 -5.532 1.00 0.00 C ATOM 1517 O LYS A 100 -3.475 13.392 -6.709 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.260 13.108 -4.884 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.411 12.101 -4.783 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.797 12.753 -4.719 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.157 13.484 -6.019 1.00 0.00 C ATOM 1522 NZ LYS A 100 -10.583 13.853 -6.045 1.00 0.00 N ATOM 0 H LYS A 100 -5.151 11.765 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.061 11.648 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.222 13.714 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.439 13.789 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.373 11.432 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.267 11.486 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.547 11.988 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.826 13.458 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.545 14.381 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.928 12.847 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.773 14.447 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.164 12.992 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.821 14.381 -5.181 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.298 14.167 -4.599 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.231 15.121 -4.881 1.00 0.00 C ATOM 1538 C GLU A 101 -1.016 14.402 -5.484 1.00 0.00 C ATOM 1539 O GLU A 101 -0.542 14.771 -6.554 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.851 15.877 -3.600 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.974 16.798 -3.104 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.703 17.273 -1.679 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.836 18.161 -1.534 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.344 16.727 -0.753 1.00 0.00 O ATOM 0 H GLU A 101 -3.597 14.163 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.585 15.847 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.603 15.159 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.955 16.469 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.063 17.658 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.926 16.268 -3.140 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.520 13.368 -4.796 1.00 0.00 N ATOM 1552 CA PHE A 102 0.621 12.557 -5.213 1.00 0.00 C ATOM 1553 C PHE A 102 0.425 12.032 -6.639 1.00 0.00 C ATOM 1554 O PHE A 102 1.286 12.199 -7.506 1.00 0.00 O ATOM 1555 CB PHE A 102 0.795 11.414 -4.200 1.00 0.00 C ATOM 1556 CG PHE A 102 1.799 10.331 -4.559 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.143 10.443 -4.155 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.349 9.133 -5.147 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.013 9.345 -4.285 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.221 8.042 -5.292 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.545 8.137 -4.833 1.00 0.00 C ATOM 0 H PHE A 102 -0.917 13.066 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 102 1.528 13.162 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.090 11.848 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.176 10.942 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.507 11.373 -3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.327 9.053 -5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.041 9.430 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.874 7.131 -5.756 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.203 7.283 -4.901 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.719 11.394 -6.888 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.034 10.837 -8.192 1.00 0.00 C ATOM 1573 C LEU A 103 -1.107 11.947 -9.239 1.00 0.00 C ATOM 1574 O LEU A 103 -0.458 11.856 -10.277 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.346 10.047 -8.121 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.256 8.833 -7.186 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.662 8.286 -6.951 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.321 7.738 -7.712 1.00 0.00 C ATOM 0 H LEU A 103 -1.448 11.252 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.242 10.151 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.144 10.706 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.618 9.711 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.820 9.165 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.610 7.423 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.281 9.058 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.100 7.986 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.300 6.907 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.682 7.385 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.315 8.142 -7.826 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.873 13.006 -8.965 1.00 0.00 N ATOM 1591 CA ASP A 104 -2.022 14.142 -9.866 1.00 0.00 C ATOM 1592 C ASP A 104 -0.657 14.711 -10.251 1.00 0.00 C ATOM 1593 O ASP A 104 -0.382 14.911 -11.430 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.899 15.218 -9.216 1.00 0.00 C ATOM 1595 CG ASP A 104 -3.068 16.413 -10.149 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.911 16.298 -11.063 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.348 17.411 -9.930 1.00 0.00 O ATOM 0 H ASP A 104 -2.410 13.096 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.511 13.801 -10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.876 14.800 -8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.449 15.543 -8.278 1.00 0.00 H new ATOM 1602 N ALA A 105 0.200 14.950 -9.256 1.00 0.00 N ATOM 1603 CA ALA A 105 1.543 15.475 -9.453 1.00 0.00 C ATOM 1604 C ALA A 105 2.360 14.592 -10.398 1.00 0.00 C ATOM 1605 O ALA A 105 3.167 15.102 -11.171 1.00 0.00 O ATOM 1606 CB ALA A 105 2.243 15.621 -8.099 1.00 0.00 C ATOM 0 H ALA A 105 -0.028 14.780 -8.277 1.00 0.00 H new ATOM 0 HA ALA A 105 1.463 16.456 -9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.248 16.014 -8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.676 16.306 -7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.303 14.647 -7.614 1.00 0.00 H new ATOM 1612 N ASN A 106 2.147 13.273 -10.355 1.00 0.00 N ATOM 1613 CA ASN A 106 2.866 12.346 -11.222 1.00 0.00 C ATOM 1614 C ASN A 106 2.251 12.358 -12.618 1.00 0.00 C ATOM 1615 O ASN A 106 2.969 12.445 -13.610 1.00 0.00 O ATOM 1616 CB ASN A 106 2.811 10.923 -10.654 1.00 0.00 C ATOM 1617 CG ASN A 106 3.920 10.669 -9.646 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.960 10.123 -10.002 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.711 11.037 -8.385 1.00 0.00 N ATOM 0 H ASN A 106 1.480 12.826 -9.726 1.00 0.00 H new ATOM 0 HA ASN A 106 3.907 12.664 -11.278 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.844 10.760 -10.178 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.890 10.204 -11.469 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.427 10.868 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.834 11.489 -8.124 1.00 0.00 H new ATOM 1626 N LEU A 107 0.925 12.253 -12.702 1.00 0.00 N ATOM 1627 CA LEU A 107 0.202 12.236 -13.962 1.00 0.00 C ATOM 1628 C LEU A 107 0.480 13.508 -14.766 1.00 0.00 C ATOM 1629 O LEU A 107 0.730 13.437 -15.967 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.295 12.064 -13.682 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.641 10.658 -13.156 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.015 10.695 -12.486 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.659 9.622 -14.287 1.00 0.00 C ATOM 0 H LEU A 107 0.320 12.177 -11.884 1.00 0.00 H new ATOM 0 HA LEU A 107 0.544 11.395 -14.566 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.612 12.809 -12.953 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.856 12.254 -14.597 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.874 10.365 -12.439 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.264 9.702 -12.112 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.996 11.401 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.765 11.008 -13.212 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.907 8.642 -13.879 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.406 9.906 -15.028 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.677 9.581 -14.759 1.00 0.00 H new ATOM 1645 N ALA A 108 0.435 14.667 -14.103 1.00 0.00 N ATOM 1646 CA ALA A 108 0.689 15.975 -14.694 1.00 0.00 C ATOM 1647 C ALA A 108 -0.002 16.127 -16.050 1.00 0.00 C ATOM 1648 O ALA A 108 -0.910 16.941 -16.203 1.00 0.00 O ATOM 1649 CB ALA A 108 2.198 16.207 -14.804 1.00 0.00 C ATOM 0 H ALA A 108 0.213 14.718 -13.109 1.00 0.00 H new ATOM 0 HA ALA A 108 0.264 16.738 -14.041 1.00 0.00 H new ATOM 0 HB1 ALA A 108 2.384 17.186 -15.246 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.646 16.166 -13.811 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.640 15.434 -15.433 1.00 0.00 H new TER 1655 ALA A 108