USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 872 hydrogens (12 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 LYS NZ :NH3+ -125:sc= 0.0298 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.099 USER MOD Set 2.1: A 43 TYR OH : rot -120:sc= 0 USER MOD Set 2.2: A 64 MET CE :methyl -148:sc= -0.0205 (180deg=-1.3) USER MOD Set 2.3: A 80 GLN : amide:sc= 0.148 K(o=0.13,f=-1.7) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 150:sc= -0.0835 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.769 K(o=0.77,f=-0.025) USER MOD Single : A 30 TYR OH : rot -175:sc= 1.18 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.794 K(o=0.79,f=-4.3!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= 1.25 (180deg=0.754) USER MOD Single : A 61 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 71 TYR OH : rot -175:sc= 0.479 USER MOD Single : A 77 ASN : amide:sc= 0.224 X(o=0.22,f=-0.0088) USER MOD Single : A 78 MET CE :methyl 156:sc= -0.165 (180deg=-1.04) USER MOD Single : A 81 TYR OH : rot -164:sc= 0.0732 USER MOD Single : A 84 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.048) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0.785) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 66:sc= 0.0584 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ATP O2' : rot 180:sc= 0 USER MOD Single : A 201 ATP O3' : rot 128:sc= 0.0945 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -29.361 16.417 -15.566 1.00 0.00 N ATOM 2 CA PRO A 1 -30.188 15.477 -14.776 1.00 0.00 C ATOM 3 C PRO A 1 -31.562 15.194 -15.406 1.00 0.00 C ATOM 4 O PRO A 1 -31.986 15.893 -16.327 1.00 0.00 O ATOM 5 CB PRO A 1 -30.286 16.077 -13.363 1.00 0.00 C ATOM 6 CG PRO A 1 -29.074 17.014 -13.250 1.00 0.00 C ATOM 7 CD PRO A 1 -28.348 16.856 -14.586 1.00 0.00 C ATOM 0 H2 PRO A 1 -29.910 17.200 -15.920 1.00 0.00 H new ATOM 0 H3 PRO A 1 -28.935 15.962 -16.373 1.00 0.00 H new ATOM 0 HA PRO A 1 -29.721 14.492 -14.747 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -31.221 16.621 -13.228 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -30.257 15.299 -12.600 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -29.383 18.046 -13.085 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -28.433 16.736 -12.414 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -27.893 17.798 -14.894 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -27.544 16.125 -14.506 1.00 0.00 H new ATOM 15 N SER A 2 -32.275 14.185 -14.901 1.00 0.00 N ATOM 16 CA SER A 2 -33.601 13.757 -15.383 1.00 0.00 C ATOM 17 C SER A 2 -34.327 12.889 -14.340 1.00 0.00 C ATOM 18 O SER A 2 -33.706 12.347 -13.420 1.00 0.00 O ATOM 19 CB SER A 2 -33.474 12.997 -16.719 1.00 0.00 C ATOM 20 OG SER A 2 -32.740 11.785 -16.577 1.00 0.00 O ATOM 0 H SER A 2 -31.939 13.622 -14.120 1.00 0.00 H new ATOM 0 HA SER A 2 -34.198 14.654 -15.545 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.469 12.775 -17.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.982 13.635 -17.453 1.00 0.00 H new ATOM 0 HG SER A 2 -32.684 11.333 -17.445 1.00 0.00 H new ATOM 26 N SER A 3 -35.644 12.722 -14.473 1.00 0.00 N ATOM 27 CA SER A 3 -36.499 11.982 -13.522 1.00 0.00 C ATOM 28 C SER A 3 -36.206 10.467 -13.434 1.00 0.00 C ATOM 29 O SER A 3 -36.762 9.776 -12.576 1.00 0.00 O ATOM 30 CB SER A 3 -37.978 12.197 -13.885 1.00 0.00 C ATOM 31 OG SER A 3 -38.288 13.582 -14.029 1.00 0.00 O ATOM 0 H SER A 3 -36.166 13.104 -15.262 1.00 0.00 H new ATOM 0 HA SER A 3 -36.268 12.388 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.205 11.674 -14.814 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.610 11.761 -13.112 1.00 0.00 H new ATOM 0 HG SER A 3 -39.235 13.683 -14.261 1.00 0.00 H new ATOM 37 N GLY A 4 -35.315 9.943 -14.291 1.00 0.00 N ATOM 38 CA GLY A 4 -34.777 8.580 -14.210 1.00 0.00 C ATOM 39 C GLY A 4 -33.649 8.423 -13.179 1.00 0.00 C ATOM 40 O GLY A 4 -33.293 7.293 -12.847 1.00 0.00 O ATOM 0 H GLY A 4 -34.941 10.471 -15.079 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.586 7.894 -13.958 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.404 8.287 -15.191 1.00 0.00 H new ATOM 44 N SER A 5 -33.113 9.527 -12.652 1.00 0.00 N ATOM 45 CA SER A 5 -31.992 9.533 -11.692 1.00 0.00 C ATOM 46 C SER A 5 -32.136 10.576 -10.565 1.00 0.00 C ATOM 47 O SER A 5 -31.733 10.306 -9.435 1.00 0.00 O ATOM 48 CB SER A 5 -30.665 9.783 -12.431 1.00 0.00 C ATOM 49 OG SER A 5 -30.362 8.747 -13.360 1.00 0.00 O ATOM 0 H SER A 5 -33.448 10.463 -12.881 1.00 0.00 H new ATOM 0 HA SER A 5 -32.003 8.550 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.718 10.736 -12.957 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.857 9.865 -11.704 1.00 0.00 H new ATOM 0 HG SER A 5 -29.513 8.947 -13.807 1.00 0.00 H new ATOM 55 N SER A 6 -32.712 11.753 -10.843 1.00 0.00 N ATOM 56 CA SER A 6 -33.090 12.804 -9.869 1.00 0.00 C ATOM 57 C SER A 6 -31.912 13.490 -9.132 1.00 0.00 C ATOM 58 O SER A 6 -32.133 14.295 -8.220 1.00 0.00 O ATOM 59 CB SER A 6 -34.154 12.285 -8.884 1.00 0.00 C ATOM 60 OG SER A 6 -35.320 11.838 -9.575 1.00 0.00 O ATOM 0 H SER A 6 -32.942 12.019 -11.801 1.00 0.00 H new ATOM 0 HA SER A 6 -33.519 13.602 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.740 11.466 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.423 13.076 -8.184 1.00 0.00 H new ATOM 0 HG SER A 6 -35.979 11.512 -8.927 1.00 0.00 H new ATOM 66 N GLY A 7 -30.660 13.211 -9.528 1.00 0.00 N ATOM 67 CA GLY A 7 -29.434 13.753 -8.923 1.00 0.00 C ATOM 68 C GLY A 7 -28.877 12.890 -7.782 1.00 0.00 C ATOM 69 O GLY A 7 -29.551 11.995 -7.266 1.00 0.00 O ATOM 0 H GLY A 7 -30.467 12.580 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.672 13.854 -9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.638 14.754 -8.543 1.00 0.00 H new ATOM 73 N PHE A 8 -27.630 13.174 -7.389 1.00 0.00 N ATOM 74 CA PHE A 8 -26.823 12.364 -6.477 1.00 0.00 C ATOM 75 C PHE A 8 -26.072 13.222 -5.440 1.00 0.00 C ATOM 76 O PHE A 8 -25.868 14.424 -5.632 1.00 0.00 O ATOM 77 CB PHE A 8 -25.841 11.552 -7.334 1.00 0.00 C ATOM 78 CG PHE A 8 -26.493 10.559 -8.281 1.00 0.00 C ATOM 79 CD1 PHE A 8 -27.052 9.368 -7.777 1.00 0.00 C ATOM 80 CD2 PHE A 8 -26.555 10.829 -9.662 1.00 0.00 C ATOM 81 CE1 PHE A 8 -27.669 8.454 -8.650 1.00 0.00 C ATOM 82 CE2 PHE A 8 -27.170 9.912 -10.534 1.00 0.00 C ATOM 83 CZ PHE A 8 -27.728 8.725 -10.029 1.00 0.00 C ATOM 0 H PHE A 8 -27.139 14.008 -7.712 1.00 0.00 H new ATOM 0 HA PHE A 8 -27.474 11.706 -5.901 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -25.232 12.243 -7.917 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -25.164 11.011 -6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -27.007 9.157 -6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -26.130 11.742 -10.052 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -28.098 7.543 -8.261 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -27.213 10.120 -11.593 1.00 0.00 H new ATOM 0 HZ PHE A 8 -28.201 8.022 -10.699 1.00 0.00 H new ATOM 93 N LEU A 9 -25.645 12.584 -4.343 1.00 0.00 N ATOM 94 CA LEU A 9 -24.969 13.197 -3.193 1.00 0.00 C ATOM 95 C LEU A 9 -24.113 12.148 -2.457 1.00 0.00 C ATOM 96 O LEU A 9 -24.449 10.961 -2.447 1.00 0.00 O ATOM 97 CB LEU A 9 -26.047 13.824 -2.280 1.00 0.00 C ATOM 98 CG LEU A 9 -25.529 14.583 -1.040 1.00 0.00 C ATOM 99 CD1 LEU A 9 -24.635 15.776 -1.415 1.00 0.00 C ATOM 100 CD2 LEU A 9 -26.724 15.085 -0.216 1.00 0.00 C ATOM 0 H LEU A 9 -25.767 11.578 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 9 -24.286 13.982 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -26.645 14.512 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -26.714 13.031 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 9 -24.924 13.888 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -24.297 16.276 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.771 15.421 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.202 16.478 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -26.362 15.622 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -27.331 15.754 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -27.329 14.236 0.103 1.00 0.00 H new ATOM 112 N ASP A 10 -23.014 12.582 -1.838 1.00 0.00 N ATOM 113 CA ASP A 10 -22.033 11.732 -1.150 1.00 0.00 C ATOM 114 C ASP A 10 -21.360 12.460 0.028 1.00 0.00 C ATOM 115 O ASP A 10 -21.490 13.674 0.214 1.00 0.00 O ATOM 116 CB ASP A 10 -20.993 11.247 -2.179 1.00 0.00 C ATOM 117 CG ASP A 10 -20.098 10.083 -1.709 1.00 0.00 C ATOM 118 OD1 ASP A 10 -20.522 9.295 -0.831 1.00 0.00 O ATOM 119 OD2 ASP A 10 -18.969 9.956 -2.239 1.00 0.00 O ATOM 0 H ASP A 10 -22.771 13.572 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 10 -22.550 10.875 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -21.517 10.939 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -20.355 12.088 -2.451 1.00 0.00 H new ATOM 124 N LYS A 11 -20.648 11.682 0.838 1.00 0.00 N ATOM 125 CA LYS A 11 -20.010 12.074 2.096 1.00 0.00 C ATOM 126 C LYS A 11 -18.622 12.743 1.920 1.00 0.00 C ATOM 127 O LYS A 11 -18.000 12.606 0.856 1.00 0.00 O ATOM 128 CB LYS A 11 -19.953 10.804 2.974 1.00 0.00 C ATOM 129 CG LYS A 11 -21.289 10.551 3.706 1.00 0.00 C ATOM 130 CD LYS A 11 -21.113 10.331 5.215 1.00 0.00 C ATOM 131 CE LYS A 11 -20.316 9.052 5.517 1.00 0.00 C ATOM 132 NZ LYS A 11 -20.184 8.819 6.979 1.00 0.00 N ATOM 0 H LYS A 11 -20.490 10.698 0.622 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.599 12.856 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.711 9.943 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.151 10.904 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.953 11.400 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.776 9.678 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.601 11.189 5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -22.092 10.270 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.811 8.197 5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.325 9.127 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.641 7.948 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.690 9.623 7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.129 8.723 7.402 1.00 0.00 H new ATOM 146 N PRO A 12 -18.129 13.465 2.953 1.00 0.00 N ATOM 147 CA PRO A 12 -16.833 14.147 2.933 1.00 0.00 C ATOM 148 C PRO A 12 -15.652 13.167 3.031 1.00 0.00 C ATOM 149 O PRO A 12 -15.833 11.952 3.144 1.00 0.00 O ATOM 150 CB PRO A 12 -16.873 15.127 4.114 1.00 0.00 C ATOM 151 CG PRO A 12 -17.796 14.440 5.116 1.00 0.00 C ATOM 152 CD PRO A 12 -18.798 13.701 4.231 1.00 0.00 C ATOM 0 HA PRO A 12 -16.673 14.666 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.880 15.293 4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.260 16.101 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -17.248 13.753 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.291 15.162 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.100 12.760 4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.703 14.293 4.092 1.00 0.00 H new ATOM 160 N THR A 13 -14.433 13.720 2.988 1.00 0.00 N ATOM 161 CA THR A 13 -13.165 12.983 2.913 1.00 0.00 C ATOM 162 C THR A 13 -11.984 13.811 3.408 1.00 0.00 C ATOM 163 O THR A 13 -12.086 15.023 3.609 1.00 0.00 O ATOM 164 CB THR A 13 -12.942 12.447 1.488 1.00 0.00 C ATOM 165 OG1 THR A 13 -11.866 11.533 1.494 1.00 0.00 O ATOM 166 CG2 THR A 13 -12.635 13.568 0.495 1.00 0.00 C ATOM 0 H THR A 13 -14.298 14.731 3.005 1.00 0.00 H new ATOM 0 HA THR A 13 -13.234 12.130 3.587 1.00 0.00 H new ATOM 0 HB THR A 13 -13.863 11.958 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.004 10.861 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.485 13.144 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.470 14.269 0.468 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.731 14.092 0.806 1.00 0.00 H new ATOM 174 N LEU A 14 -10.861 13.121 3.604 1.00 0.00 N ATOM 175 CA LEU A 14 -9.591 13.643 4.114 1.00 0.00 C ATOM 176 C LEU A 14 -8.477 13.576 3.048 1.00 0.00 C ATOM 177 O LEU A 14 -7.357 14.025 3.301 1.00 0.00 O ATOM 178 CB LEU A 14 -9.213 12.850 5.380 1.00 0.00 C ATOM 179 CG LEU A 14 -10.335 12.800 6.450 1.00 0.00 C ATOM 180 CD1 LEU A 14 -10.821 11.357 6.653 1.00 0.00 C ATOM 181 CD2 LEU A 14 -9.848 13.390 7.779 1.00 0.00 C ATOM 0 H LEU A 14 -10.809 12.123 3.399 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.706 14.698 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.952 11.831 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.322 13.295 5.823 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.171 13.402 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.608 11.341 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.212 10.969 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.989 10.736 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.652 13.344 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.993 12.818 8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.552 14.428 7.629 1.00 0.00 H new ATOM 193 N LEU A 15 -8.775 13.011 1.869 1.00 0.00 N ATOM 194 CA LEU A 15 -7.829 12.833 0.761 1.00 0.00 C ATOM 195 C LEU A 15 -7.753 14.070 -0.150 1.00 0.00 C ATOM 196 O LEU A 15 -8.351 15.117 0.103 1.00 0.00 O ATOM 197 CB LEU A 15 -8.190 11.571 -0.058 1.00 0.00 C ATOM 198 CG LEU A 15 -8.425 10.274 0.744 1.00 0.00 C ATOM 199 CD1 LEU A 15 -8.714 9.125 -0.234 1.00 0.00 C ATOM 200 CD2 LEU A 15 -7.227 9.910 1.633 1.00 0.00 C ATOM 0 H LEU A 15 -9.707 12.656 1.655 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.840 12.702 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.091 11.784 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.389 11.389 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.276 10.439 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.881 8.205 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.603 9.360 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.863 8.994 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.443 8.990 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.343 9.766 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.043 10.716 2.343 1.00 0.00 H new ATOM 212 N SER A 16 -7.016 13.923 -1.246 1.00 0.00 N ATOM 213 CA SER A 16 -6.757 14.933 -2.260 1.00 0.00 C ATOM 214 C SER A 16 -7.624 14.720 -3.514 1.00 0.00 C ATOM 215 O SER A 16 -8.035 13.589 -3.799 1.00 0.00 O ATOM 216 CB SER A 16 -5.274 14.820 -2.625 1.00 0.00 C ATOM 217 OG SER A 16 -4.450 15.425 -1.638 1.00 0.00 O ATOM 0 H SER A 16 -6.556 13.039 -1.461 1.00 0.00 H new ATOM 0 HA SER A 16 -7.005 15.921 -1.872 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.003 13.770 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.098 15.296 -3.590 1.00 0.00 H new ATOM 0 HG SER A 16 -3.509 15.336 -1.898 1.00 0.00 H new ATOM 223 N PRO A 17 -7.842 15.775 -4.323 1.00 0.00 N ATOM 224 CA PRO A 17 -8.632 15.706 -5.550 1.00 0.00 C ATOM 225 C PRO A 17 -8.056 14.724 -6.579 1.00 0.00 C ATOM 226 O PRO A 17 -8.814 14.160 -7.360 1.00 0.00 O ATOM 227 CB PRO A 17 -8.674 17.143 -6.086 1.00 0.00 C ATOM 228 CG PRO A 17 -7.401 17.774 -5.523 1.00 0.00 C ATOM 229 CD PRO A 17 -7.263 17.099 -4.163 1.00 0.00 C ATOM 0 HA PRO A 17 -9.631 15.319 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.684 17.164 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.566 17.671 -5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.538 17.581 -6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.493 18.856 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.218 17.036 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.784 17.664 -3.390 1.00 0.00 H new ATOM 237 N GLU A 18 -6.744 14.468 -6.539 1.00 0.00 N ATOM 238 CA GLU A 18 -6.053 13.517 -7.421 1.00 0.00 C ATOM 239 C GLU A 18 -6.089 12.057 -6.918 1.00 0.00 C ATOM 240 O GLU A 18 -5.764 11.144 -7.677 1.00 0.00 O ATOM 241 CB GLU A 18 -4.616 13.996 -7.693 1.00 0.00 C ATOM 242 CG GLU A 18 -3.729 14.070 -6.442 1.00 0.00 C ATOM 243 CD GLU A 18 -2.317 14.555 -6.805 1.00 0.00 C ATOM 244 OE1 GLU A 18 -1.447 13.716 -7.134 1.00 0.00 O ATOM 245 OE2 GLU A 18 -2.067 15.784 -6.760 1.00 0.00 O ATOM 0 H GLU A 18 -6.117 14.926 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.605 13.501 -8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.152 13.324 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.655 14.982 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.175 14.747 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.672 13.088 -5.972 1.00 0.00 H new ATOM 252 N GLU A 19 -6.509 11.820 -5.669 1.00 0.00 N ATOM 253 CA GLU A 19 -6.735 10.485 -5.103 1.00 0.00 C ATOM 254 C GLU A 19 -8.148 9.997 -5.419 1.00 0.00 C ATOM 255 O GLU A 19 -8.346 8.898 -5.934 1.00 0.00 O ATOM 256 CB GLU A 19 -6.578 10.523 -3.577 1.00 0.00 C ATOM 257 CG GLU A 19 -5.128 10.546 -3.104 1.00 0.00 C ATOM 258 CD GLU A 19 -4.395 9.224 -3.386 1.00 0.00 C ATOM 259 OE1 GLU A 19 -4.718 8.201 -2.739 1.00 0.00 O ATOM 260 OE2 GLU A 19 -3.481 9.208 -4.243 1.00 0.00 O ATOM 0 H GLU A 19 -6.706 12.571 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.001 9.810 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.090 11.405 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.076 9.653 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.601 11.362 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.102 10.751 -2.034 1.00 0.00 H new ATOM 267 N LEU A 20 -9.139 10.834 -5.116 1.00 0.00 N ATOM 268 CA LEU A 20 -10.566 10.540 -5.275 1.00 0.00 C ATOM 269 C LEU A 20 -10.904 10.277 -6.741 1.00 0.00 C ATOM 270 O LEU A 20 -11.469 9.238 -7.076 1.00 0.00 O ATOM 271 CB LEU A 20 -11.362 11.742 -4.750 1.00 0.00 C ATOM 272 CG LEU A 20 -11.054 12.094 -3.280 1.00 0.00 C ATOM 273 CD1 LEU A 20 -11.338 13.583 -3.091 1.00 0.00 C ATOM 274 CD2 LEU A 20 -11.842 11.199 -2.318 1.00 0.00 C ATOM 0 H LEU A 20 -8.967 11.767 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.824 9.643 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.148 12.609 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -12.427 11.533 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.006 11.905 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.130 13.865 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.703 14.162 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.385 13.785 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.604 11.471 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.910 11.332 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.574 10.156 -2.489 1.00 0.00 H new ATOM 286 N LYS A 21 -10.482 11.185 -7.624 1.00 0.00 N ATOM 287 CA LYS A 21 -10.634 11.025 -9.083 1.00 0.00 C ATOM 288 C LYS A 21 -9.852 9.826 -9.674 1.00 0.00 C ATOM 289 O LYS A 21 -10.146 9.408 -10.796 1.00 0.00 O ATOM 290 CB LYS A 21 -10.266 12.334 -9.808 1.00 0.00 C ATOM 291 CG LYS A 21 -11.400 13.372 -9.897 1.00 0.00 C ATOM 292 CD LYS A 21 -12.127 13.675 -8.579 1.00 0.00 C ATOM 293 CE LYS A 21 -13.060 14.881 -8.764 1.00 0.00 C ATOM 294 NZ LYS A 21 -13.802 15.206 -7.517 1.00 0.00 N ATOM 0 H LYS A 21 -10.024 12.055 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.686 10.797 -9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.418 12.789 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.936 12.091 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.987 14.303 -10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.133 13.021 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.701 12.805 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.402 13.882 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.476 15.747 -9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.770 14.671 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.420 16.025 -7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.379 14.389 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.126 15.431 -6.760 1.00 0.00 H new ATOM 308 N ALA A 22 -8.901 9.239 -8.936 1.00 0.00 N ATOM 309 CA ALA A 22 -8.200 8.007 -9.318 1.00 0.00 C ATOM 310 C ALA A 22 -8.929 6.750 -8.800 1.00 0.00 C ATOM 311 O ALA A 22 -9.224 5.842 -9.581 1.00 0.00 O ATOM 312 CB ALA A 22 -6.746 8.094 -8.820 1.00 0.00 C ATOM 0 H ALA A 22 -8.592 9.615 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.193 7.911 -10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.212 7.185 -9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.257 8.955 -9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.739 8.203 -7.736 1.00 0.00 H new ATOM 318 N ALA A 23 -9.259 6.708 -7.506 1.00 0.00 N ATOM 319 CA ALA A 23 -9.856 5.546 -6.843 1.00 0.00 C ATOM 320 C ALA A 23 -11.356 5.383 -7.135 1.00 0.00 C ATOM 321 O ALA A 23 -11.810 4.274 -7.413 1.00 0.00 O ATOM 322 CB ALA A 23 -9.588 5.671 -5.337 1.00 0.00 C ATOM 0 H ALA A 23 -9.115 7.498 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.393 4.643 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.023 4.817 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.513 5.695 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.038 6.591 -4.962 1.00 0.00 H new ATOM 328 N SER A 24 -12.133 6.468 -7.111 1.00 0.00 N ATOM 329 CA SER A 24 -13.593 6.437 -7.309 1.00 0.00 C ATOM 330 C SER A 24 -13.983 6.185 -8.775 1.00 0.00 C ATOM 331 O SER A 24 -15.002 5.543 -9.054 1.00 0.00 O ATOM 332 CB SER A 24 -14.210 7.745 -6.788 1.00 0.00 C ATOM 333 OG SER A 24 -15.618 7.629 -6.643 1.00 0.00 O ATOM 0 H SER A 24 -11.767 7.407 -6.952 1.00 0.00 H new ATOM 0 HA SER A 24 -13.991 5.597 -6.740 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.763 8.003 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.979 8.558 -7.476 1.00 0.00 H new ATOM 0 HG SER A 24 -15.983 8.475 -6.309 1.00 0.00 H new ATOM 339 N ARG A 25 -13.125 6.598 -9.722 1.00 0.00 N ATOM 340 CA ARG A 25 -13.254 6.275 -11.151 1.00 0.00 C ATOM 341 C ARG A 25 -13.074 4.772 -11.428 1.00 0.00 C ATOM 342 O ARG A 25 -13.643 4.246 -12.388 1.00 0.00 O ATOM 343 CB ARG A 25 -12.245 7.123 -11.938 1.00 0.00 C ATOM 344 CG ARG A 25 -12.434 7.112 -13.463 1.00 0.00 C ATOM 345 CD ARG A 25 -13.803 7.638 -13.916 1.00 0.00 C ATOM 346 NE ARG A 25 -13.872 7.752 -15.383 1.00 0.00 N ATOM 347 CZ ARG A 25 -14.896 8.219 -16.089 1.00 0.00 C ATOM 348 NH1 ARG A 25 -16.005 8.643 -15.515 1.00 0.00 N ATOM 349 NH2 ARG A 25 -14.818 8.266 -17.401 1.00 0.00 N ATOM 0 H ARG A 25 -12.310 7.174 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.266 6.515 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.308 8.153 -11.587 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.240 6.769 -11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.652 7.716 -13.922 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.306 6.093 -13.829 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -14.587 6.968 -13.564 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.989 8.612 -13.464 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.054 7.442 -15.908 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.095 8.618 -14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.773 8.996 -16.087 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.973 7.944 -17.874 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.602 8.624 -17.946 1.00 0.00 H new ATOM 363 N GLY A 26 -12.327 4.074 -10.562 1.00 0.00 N ATOM 364 CA GLY A 26 -12.204 2.611 -10.537 1.00 0.00 C ATOM 365 C GLY A 26 -13.405 1.964 -9.846 1.00 0.00 C ATOM 366 O GLY A 26 -14.189 1.274 -10.499 1.00 0.00 O ATOM 0 H GLY A 26 -11.773 4.528 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.121 2.233 -11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.288 2.330 -10.018 1.00 0.00 H new ATOM 370 N ASN A 27 -13.555 2.204 -8.538 1.00 0.00 N ATOM 371 CA ASN A 27 -14.648 1.662 -7.710 1.00 0.00 C ATOM 372 C ASN A 27 -14.875 2.404 -6.367 1.00 0.00 C ATOM 373 O ASN A 27 -15.982 2.381 -5.827 1.00 0.00 O ATOM 374 CB ASN A 27 -14.384 0.164 -7.470 1.00 0.00 C ATOM 375 CG ASN A 27 -15.531 -0.536 -6.745 1.00 0.00 C ATOM 376 OD1 ASN A 27 -16.705 -0.357 -7.052 1.00 0.00 O ATOM 377 ND2 ASN A 27 -15.218 -1.348 -5.756 1.00 0.00 N ATOM 0 H ASN A 27 -12.909 2.792 -8.011 1.00 0.00 H new ATOM 0 HA ASN A 27 -15.573 1.815 -8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.214 -0.327 -8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.470 0.051 -6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.954 -1.832 -5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.240 -1.493 -5.505 1.00 0.00 H new ATOM 384 N GLY A 28 -13.846 3.067 -5.817 1.00 0.00 N ATOM 385 CA GLY A 28 -13.888 3.806 -4.537 1.00 0.00 C ATOM 386 C GLY A 28 -13.309 3.039 -3.341 1.00 0.00 C ATOM 387 O GLY A 28 -13.236 3.590 -2.242 1.00 0.00 O ATOM 0 H GLY A 28 -12.929 3.107 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.339 4.741 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.923 4.069 -4.317 1.00 0.00 H new ATOM 391 N GLU A 29 -12.880 1.795 -3.554 1.00 0.00 N ATOM 392 CA GLU A 29 -12.113 0.984 -2.600 1.00 0.00 C ATOM 393 C GLU A 29 -10.605 1.265 -2.700 1.00 0.00 C ATOM 394 O GLU A 29 -10.187 2.111 -3.484 1.00 0.00 O ATOM 395 CB GLU A 29 -12.400 -0.503 -2.859 1.00 0.00 C ATOM 396 CG GLU A 29 -12.976 -1.218 -1.628 1.00 0.00 C ATOM 397 CD GLU A 29 -14.324 -0.628 -1.178 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.328 -0.766 -1.914 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.387 -0.042 -0.071 1.00 0.00 O ATOM 0 H GLU A 29 -13.063 1.303 -4.429 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.424 1.250 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.101 -0.594 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.479 -0.999 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.104 -2.277 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.262 -1.152 -0.807 1.00 0.00 H new ATOM 406 N TYR A 30 -9.789 0.541 -1.923 1.00 0.00 N ATOM 407 CA TYR A 30 -8.321 0.642 -1.886 1.00 0.00 C ATOM 408 C TYR A 30 -7.669 -0.463 -1.032 1.00 0.00 C ATOM 409 O TYR A 30 -8.263 -0.951 -0.067 1.00 0.00 O ATOM 410 CB TYR A 30 -7.878 2.022 -1.373 1.00 0.00 C ATOM 411 CG TYR A 30 -8.239 2.273 0.078 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.574 2.545 0.437 1.00 0.00 C ATOM 413 CD2 TYR A 30 -7.249 2.164 1.074 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.920 2.725 1.789 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.589 2.338 2.427 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.927 2.621 2.790 1.00 0.00 C ATOM 417 OH TYR A 30 -9.266 2.778 4.099 1.00 0.00 O ATOM 0 H TYR A 30 -10.147 -0.161 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.980 0.509 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.799 2.115 -1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.335 2.794 -1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.334 2.616 -0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.228 1.947 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.942 2.942 2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.829 2.256 3.190 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.457 2.755 4.651 1.00 0.00 H new ATOM 427 N ALA A 31 -6.429 -0.828 -1.370 1.00 0.00 N ATOM 428 CA ALA A 31 -5.615 -1.826 -0.664 1.00 0.00 C ATOM 429 C ALA A 31 -4.110 -1.618 -0.888 1.00 0.00 C ATOM 430 O ALA A 31 -3.693 -1.140 -1.943 1.00 0.00 O ATOM 431 CB ALA A 31 -6.046 -3.226 -1.126 1.00 0.00 C ATOM 0 H ALA A 31 -5.945 -0.423 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.783 -1.715 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.450 -3.979 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.100 -3.377 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.894 -3.317 -2.201 1.00 0.00 H new ATOM 437 N TRP A 32 -3.297 -2.024 0.090 1.00 0.00 N ATOM 438 CA TRP A 32 -1.833 -2.084 -0.016 1.00 0.00 C ATOM 439 C TRP A 32 -1.355 -3.505 -0.362 1.00 0.00 C ATOM 440 O TRP A 32 -1.925 -4.501 0.088 1.00 0.00 O ATOM 441 CB TRP A 32 -1.186 -1.599 1.291 1.00 0.00 C ATOM 442 CG TRP A 32 -1.300 -0.136 1.595 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.404 0.492 2.055 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.266 0.898 1.499 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.134 1.830 2.256 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.827 2.135 1.943 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.093 0.916 1.107 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -0.080 3.321 2.001 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.847 2.108 1.153 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.263 3.307 1.596 1.00 0.00 C ATOM 0 H TRP A 32 -3.644 -2.328 1.000 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.525 -1.425 -0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.630 -2.154 2.117 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.128 -1.860 1.264 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.357 0.017 2.238 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.816 2.509 2.594 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.561 0.004 0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.534 4.235 2.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.882 2.099 0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.847 4.215 1.625 1.00 0.00 H new ATOM 461 N TYR A 33 -0.262 -3.593 -1.123 1.00 0.00 N ATOM 462 CA TYR A 33 0.379 -4.837 -1.572 1.00 0.00 C ATOM 463 C TYR A 33 1.913 -4.773 -1.445 1.00 0.00 C ATOM 464 O TYR A 33 2.497 -3.688 -1.416 1.00 0.00 O ATOM 465 CB TYR A 33 0.002 -5.113 -3.040 1.00 0.00 C ATOM 466 CG TYR A 33 -1.409 -5.593 -3.314 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.494 -4.696 -3.260 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.629 -6.929 -3.704 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.798 -5.140 -3.551 1.00 0.00 C ATOM 470 CE2 TYR A 33 -2.930 -7.379 -4.000 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.020 -6.486 -3.919 1.00 0.00 C ATOM 472 OH TYR A 33 -5.277 -6.923 -4.211 1.00 0.00 O ATOM 0 H TYR A 33 0.225 -2.762 -1.460 1.00 0.00 H new ATOM 0 HA TYR A 33 0.021 -5.642 -0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.164 -4.197 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.694 -5.858 -3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.325 -3.663 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.795 -7.612 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.628 -4.452 -3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.094 -8.407 -4.289 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.247 -7.874 -4.445 1.00 0.00 H new ATOM 482 N TYR A 34 2.569 -5.934 -1.440 1.00 0.00 N ATOM 483 CA TYR A 34 4.031 -6.105 -1.438 1.00 0.00 C ATOM 484 C TYR A 34 4.463 -7.242 -2.383 1.00 0.00 C ATOM 485 O TYR A 34 3.721 -8.208 -2.550 1.00 0.00 O ATOM 486 CB TYR A 34 4.520 -6.384 -0.008 1.00 0.00 C ATOM 487 CG TYR A 34 4.094 -7.717 0.585 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.844 -7.843 1.222 1.00 0.00 C ATOM 489 CD2 TYR A 34 4.958 -8.831 0.512 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.447 -9.075 1.777 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.570 -10.065 1.067 1.00 0.00 C ATOM 492 CZ TYR A 34 3.313 -10.191 1.702 1.00 0.00 C ATOM 493 OH TYR A 34 2.943 -11.387 2.239 1.00 0.00 O ATOM 0 H TYR A 34 2.076 -6.827 -1.437 1.00 0.00 H new ATOM 0 HA TYR A 34 4.484 -5.182 -1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.609 -6.335 0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.160 -5.586 0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.186 -6.989 1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.919 -8.736 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.485 -9.167 2.258 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.233 -10.916 1.008 1.00 0.00 H new ATOM 0 HH TYR A 34 3.656 -12.044 2.097 1.00 0.00 H new ATOM 503 N GLU A 35 5.653 -7.158 -2.985 1.00 0.00 N ATOM 504 CA GLU A 35 6.221 -8.279 -3.746 1.00 0.00 C ATOM 505 C GLU A 35 6.846 -9.306 -2.795 1.00 0.00 C ATOM 506 O GLU A 35 7.876 -9.039 -2.169 1.00 0.00 O ATOM 507 CB GLU A 35 7.260 -7.821 -4.786 1.00 0.00 C ATOM 508 CG GLU A 35 6.624 -7.088 -5.970 1.00 0.00 C ATOM 509 CD GLU A 35 7.540 -7.127 -7.203 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.437 -6.262 -7.332 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.375 -8.036 -8.051 1.00 0.00 O ATOM 0 H GLU A 35 6.243 -6.326 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 35 5.399 -8.740 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.986 -7.165 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.808 -8.689 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.665 -7.545 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.423 -6.053 -5.695 1.00 0.00 H new ATOM 518 N GLY A 36 6.232 -10.490 -2.714 1.00 0.00 N ATOM 519 CA GLY A 36 6.764 -11.675 -2.031 1.00 0.00 C ATOM 520 C GLY A 36 7.580 -12.561 -2.978 1.00 0.00 C ATOM 521 O GLY A 36 8.170 -12.079 -3.947 1.00 0.00 O ATOM 0 H GLY A 36 5.319 -10.657 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.391 -11.362 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.940 -12.253 -1.612 1.00 0.00 H new ATOM 525 N ARG A 37 7.627 -13.867 -2.695 1.00 0.00 N ATOM 526 CA ARG A 37 8.392 -14.850 -3.485 1.00 0.00 C ATOM 527 C ARG A 37 7.824 -15.050 -4.905 1.00 0.00 C ATOM 528 O ARG A 37 8.585 -15.133 -5.869 1.00 0.00 O ATOM 529 CB ARG A 37 8.428 -16.178 -2.705 1.00 0.00 C ATOM 530 CG ARG A 37 9.359 -17.228 -3.338 1.00 0.00 C ATOM 531 CD ARG A 37 9.309 -18.565 -2.587 1.00 0.00 C ATOM 532 NE ARG A 37 8.000 -19.221 -2.756 1.00 0.00 N ATOM 533 CZ ARG A 37 7.583 -20.343 -2.186 1.00 0.00 C ATOM 534 NH1 ARG A 37 8.344 -21.041 -1.369 1.00 0.00 N ATOM 535 NH2 ARG A 37 6.369 -20.772 -2.444 1.00 0.00 N ATOM 0 H ARG A 37 7.132 -14.280 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 37 9.403 -14.469 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.753 -15.983 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.419 -16.585 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.074 -17.385 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.382 -16.851 -3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.098 -19.221 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.501 -18.398 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 37 7.340 -18.760 -3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.289 -20.723 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.988 -21.900 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.765 -20.244 -3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.030 -21.633 -2.015 1.00 0.00 H new ATOM 549 N ASN A 38 6.493 -15.121 -5.031 1.00 0.00 N ATOM 550 CA ASN A 38 5.791 -15.499 -6.272 1.00 0.00 C ATOM 551 C ASN A 38 5.089 -14.335 -7.014 1.00 0.00 C ATOM 552 O ASN A 38 4.646 -14.519 -8.151 1.00 0.00 O ATOM 553 CB ASN A 38 4.810 -16.645 -5.959 1.00 0.00 C ATOM 554 CG ASN A 38 5.525 -17.945 -5.617 1.00 0.00 C ATOM 555 OD1 ASN A 38 5.953 -18.170 -4.492 1.00 0.00 O ATOM 556 ND2 ASN A 38 5.672 -18.844 -6.571 1.00 0.00 N ATOM 0 H ASN A 38 5.858 -14.914 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 38 6.556 -15.828 -6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.171 -16.355 -5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.159 -16.807 -6.818 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.142 -19.727 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.315 -18.656 -7.508 1.00 0.00 H new ATOM 563 N GLY A 39 4.997 -13.143 -6.409 1.00 0.00 N ATOM 564 CA GLY A 39 4.387 -11.937 -6.994 1.00 0.00 C ATOM 565 C GLY A 39 3.845 -10.969 -5.942 1.00 0.00 C ATOM 566 O GLY A 39 4.218 -11.047 -4.771 1.00 0.00 O ATOM 0 H GLY A 39 5.356 -12.984 -5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.128 -11.422 -7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.576 -12.233 -7.659 1.00 0.00 H new ATOM 570 N TRP A 40 2.972 -10.049 -6.359 1.00 0.00 N ATOM 571 CA TRP A 40 2.259 -9.135 -5.462 1.00 0.00 C ATOM 572 C TRP A 40 1.242 -9.871 -4.571 1.00 0.00 C ATOM 573 O TRP A 40 0.406 -10.628 -5.070 1.00 0.00 O ATOM 574 CB TRP A 40 1.547 -8.055 -6.286 1.00 0.00 C ATOM 575 CG TRP A 40 2.443 -7.176 -7.099 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.665 -7.297 -8.425 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.249 -6.039 -6.661 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.550 -6.321 -8.838 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.925 -5.498 -7.795 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.471 -5.405 -5.420 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.755 -4.370 -7.710 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.312 -4.281 -5.322 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.943 -3.751 -6.461 1.00 0.00 C ATOM 0 H TRP A 40 2.737 -9.916 -7.343 1.00 0.00 H new ATOM 0 HA TRP A 40 2.996 -8.676 -4.803 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.838 -8.541 -6.956 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.967 -7.428 -5.609 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.218 -8.043 -9.065 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.885 -6.220 -9.796 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.989 -5.788 -4.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.243 -3.982 -8.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.475 -3.820 -4.359 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.568 -2.874 -6.378 1.00 0.00 H new ATOM 594 N TRP A 41 1.273 -9.582 -3.268 1.00 0.00 N ATOM 595 CA TRP A 41 0.362 -10.120 -2.249 1.00 0.00 C ATOM 596 C TRP A 41 -0.181 -8.996 -1.361 1.00 0.00 C ATOM 597 O TRP A 41 0.533 -8.040 -1.052 1.00 0.00 O ATOM 598 CB TRP A 41 1.098 -11.189 -1.426 1.00 0.00 C ATOM 599 CG TRP A 41 1.589 -12.342 -2.244 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.877 -12.727 -2.380 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.819 -13.209 -3.130 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.960 -13.747 -3.308 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.725 -14.049 -3.841 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.552 -13.333 -3.438 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.299 -14.932 -4.842 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.994 -14.223 -4.431 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.074 -15.019 -5.141 1.00 0.00 C ATOM 0 H TRP A 41 1.962 -8.940 -2.875 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.496 -10.586 -2.734 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.945 -10.726 -0.920 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.429 -11.563 -0.651 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.714 -12.302 -1.845 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.827 -14.218 -3.567 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.273 -12.734 -2.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.015 -15.538 -5.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.049 -14.298 -4.652 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.420 -15.693 -5.911 1.00 0.00 H new ATOM 618 N GLN A 42 -1.461 -9.082 -0.992 1.00 0.00 N ATOM 619 CA GLN A 42 -2.148 -8.035 -0.231 1.00 0.00 C ATOM 620 C GLN A 42 -1.763 -8.095 1.258 1.00 0.00 C ATOM 621 O GLN A 42 -1.679 -9.176 1.847 1.00 0.00 O ATOM 622 CB GLN A 42 -3.667 -8.181 -0.430 1.00 0.00 C ATOM 623 CG GLN A 42 -4.431 -6.909 -0.023 1.00 0.00 C ATOM 624 CD GLN A 42 -5.953 -7.060 -0.105 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.507 -7.757 -0.947 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.698 -6.421 0.776 1.00 0.00 N ATOM 0 H GLN A 42 -2.053 -9.883 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.839 -7.057 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.875 -8.409 -1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.029 -9.024 0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.155 -6.639 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.120 -6.086 -0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.259 -5.835 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.713 -6.513 0.747 1.00 0.00 H new ATOM 635 N TYR A 43 -1.560 -6.933 1.883 1.00 0.00 N ATOM 636 CA TYR A 43 -1.374 -6.815 3.336 1.00 0.00 C ATOM 637 C TYR A 43 -2.651 -7.153 4.137 1.00 0.00 C ATOM 638 O TYR A 43 -3.777 -6.960 3.670 1.00 0.00 O ATOM 639 CB TYR A 43 -0.903 -5.394 3.676 1.00 0.00 C ATOM 640 CG TYR A 43 0.579 -5.154 3.480 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.493 -5.625 4.440 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.042 -4.425 2.369 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.867 -5.348 4.307 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.413 -4.146 2.225 1.00 0.00 C ATOM 645 CZ TYR A 43 3.327 -4.605 3.198 1.00 0.00 C ATOM 646 OH TYR A 43 4.653 -4.346 3.050 1.00 0.00 O ATOM 0 H TYR A 43 -1.519 -6.039 1.394 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.620 -7.546 3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.456 -4.685 3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.158 -5.180 4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.139 -6.201 5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.342 -4.078 1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.566 -5.702 5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.765 -3.583 1.373 1.00 0.00 H new ATOM 0 HH TYR A 43 4.798 -3.377 3.041 1.00 0.00 H new ATOM 656 N ASP A 44 -2.468 -7.612 5.380 1.00 0.00 N ATOM 657 CA ASP A 44 -3.550 -7.787 6.361 1.00 0.00 C ATOM 658 C ASP A 44 -4.148 -6.434 6.782 1.00 0.00 C ATOM 659 O ASP A 44 -3.453 -5.418 6.786 1.00 0.00 O ATOM 660 CB ASP A 44 -2.999 -8.547 7.576 1.00 0.00 C ATOM 661 CG ASP A 44 -4.061 -8.847 8.646 1.00 0.00 C ATOM 662 OD1 ASP A 44 -5.230 -9.114 8.283 1.00 0.00 O ATOM 663 OD2 ASP A 44 -3.717 -8.793 9.848 1.00 0.00 O ATOM 0 H ASP A 44 -1.551 -7.877 5.740 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.356 -8.362 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.560 -9.486 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.196 -7.963 8.026 1.00 0.00 H new ATOM 668 N GLU A 45 -5.420 -6.417 7.185 1.00 0.00 N ATOM 669 CA GLU A 45 -6.154 -5.189 7.519 1.00 0.00 C ATOM 670 C GLU A 45 -5.659 -4.526 8.817 1.00 0.00 C ATOM 671 O GLU A 45 -5.878 -3.332 9.027 1.00 0.00 O ATOM 672 CB GLU A 45 -7.669 -5.453 7.550 1.00 0.00 C ATOM 673 CG GLU A 45 -8.111 -6.557 8.520 1.00 0.00 C ATOM 674 CD GLU A 45 -9.642 -6.689 8.534 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.310 -5.949 9.293 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.187 -7.537 7.788 1.00 0.00 O ATOM 0 H GLU A 45 -5.978 -7.264 7.291 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.950 -4.470 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.179 -4.528 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.998 -5.719 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.662 -7.506 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.752 -6.331 9.524 1.00 0.00 H new ATOM 683 N ARG A 46 -4.935 -5.276 9.659 1.00 0.00 N ATOM 684 CA ARG A 46 -4.254 -4.748 10.847 1.00 0.00 C ATOM 685 C ARG A 46 -2.887 -4.127 10.509 1.00 0.00 C ATOM 686 O ARG A 46 -2.352 -3.357 11.314 1.00 0.00 O ATOM 687 CB ARG A 46 -4.092 -5.848 11.913 1.00 0.00 C ATOM 688 CG ARG A 46 -5.341 -6.711 12.186 1.00 0.00 C ATOM 689 CD ARG A 46 -6.639 -5.908 12.338 1.00 0.00 C ATOM 690 NE ARG A 46 -7.757 -6.779 12.739 1.00 0.00 N ATOM 691 CZ ARG A 46 -9.026 -6.411 12.885 1.00 0.00 C ATOM 692 NH1 ARG A 46 -9.420 -5.168 12.693 1.00 0.00 N ATOM 693 NH2 ARG A 46 -9.927 -7.304 13.236 1.00 0.00 N ATOM 0 H ARG A 46 -4.805 -6.280 9.532 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.882 -3.952 11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.279 -6.506 11.607 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.787 -5.378 12.848 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.461 -7.424 11.370 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.177 -7.291 13.094 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.500 -5.124 13.082 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.878 -5.415 11.396 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.537 -7.758 12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.743 -4.454 12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.402 -4.920 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.650 -8.273 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.902 -7.027 13.349 1.00 0.00 H new ATOM 707 N THR A 47 -2.335 -4.434 9.325 1.00 0.00 N ATOM 708 CA THR A 47 -1.039 -3.948 8.829 1.00 0.00 C ATOM 709 C THR A 47 -1.207 -2.799 7.845 1.00 0.00 C ATOM 710 O THR A 47 -0.610 -1.745 8.037 1.00 0.00 O ATOM 711 CB THR A 47 -0.240 -5.100 8.211 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.108 -6.108 9.190 1.00 0.00 O ATOM 713 CG2 THR A 47 1.157 -4.643 7.798 1.00 0.00 C ATOM 0 H THR A 47 -2.799 -5.053 8.660 1.00 0.00 H new ATOM 0 HA THR A 47 -0.478 -3.558 9.678 1.00 0.00 H new ATOM 0 HB THR A 47 -0.762 -5.461 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.399 -6.860 8.819 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.700 -5.482 7.363 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.075 -3.843 7.063 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.694 -4.278 8.673 1.00 0.00 H new ATOM 721 N SER A 48 -2.051 -2.950 6.827 1.00 0.00 N ATOM 722 CA SER A 48 -2.280 -1.913 5.807 1.00 0.00 C ATOM 723 C SER A 48 -2.835 -0.610 6.389 1.00 0.00 C ATOM 724 O SER A 48 -2.522 0.471 5.882 1.00 0.00 O ATOM 725 CB SER A 48 -3.215 -2.434 4.708 1.00 0.00 C ATOM 726 OG SER A 48 -4.490 -2.780 5.229 1.00 0.00 O ATOM 0 H SER A 48 -2.601 -3.796 6.680 1.00 0.00 H new ATOM 0 HA SER A 48 -1.304 -1.682 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.331 -1.673 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.767 -3.306 4.231 1.00 0.00 H new ATOM 0 HG SER A 48 -5.062 -3.107 4.504 1.00 0.00 H new ATOM 732 N ARG A 49 -3.561 -0.682 7.515 1.00 0.00 N ATOM 733 CA ARG A 49 -4.020 0.503 8.239 1.00 0.00 C ATOM 734 C ARG A 49 -2.862 1.361 8.756 1.00 0.00 C ATOM 735 O ARG A 49 -3.015 2.572 8.855 1.00 0.00 O ATOM 736 CB ARG A 49 -5.022 0.123 9.342 1.00 0.00 C ATOM 737 CG ARG A 49 -4.412 -0.508 10.610 1.00 0.00 C ATOM 738 CD ARG A 49 -3.797 0.449 11.653 1.00 0.00 C ATOM 739 NE ARG A 49 -4.657 1.605 11.970 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.241 2.843 12.235 1.00 0.00 C ATOM 741 NH1 ARG A 49 -2.974 3.155 12.401 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.113 3.821 12.343 1.00 0.00 N ATOM 0 H ARG A 49 -3.843 -1.563 7.945 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.552 1.135 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.572 1.018 9.632 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.747 -0.575 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.190 -1.090 11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.638 -1.209 10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.595 -0.106 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.838 0.811 11.282 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.664 1.441 11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.257 2.433 12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.708 4.119 12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.108 3.632 12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.794 4.768 12.546 1.00 0.00 H new ATOM 756 N GLU A 50 -1.699 0.768 9.054 1.00 0.00 N ATOM 757 CA GLU A 50 -0.531 1.524 9.536 1.00 0.00 C ATOM 758 C GLU A 50 0.053 2.362 8.389 1.00 0.00 C ATOM 759 O GLU A 50 0.410 3.525 8.571 1.00 0.00 O ATOM 760 CB GLU A 50 0.551 0.584 10.100 1.00 0.00 C ATOM 761 CG GLU A 50 0.097 -0.328 11.251 1.00 0.00 C ATOM 762 CD GLU A 50 -0.028 0.420 12.589 1.00 0.00 C ATOM 763 OE1 GLU A 50 -0.893 1.318 12.704 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.720 0.098 13.542 1.00 0.00 O ATOM 0 H GLU A 50 -1.539 -0.236 8.970 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.860 2.181 10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.924 -0.041 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.389 1.189 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.865 -0.774 10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.808 -1.146 11.362 1.00 0.00 H new ATOM 771 N LEU A 51 0.077 1.775 7.188 1.00 0.00 N ATOM 772 CA LEU A 51 0.566 2.375 5.949 1.00 0.00 C ATOM 773 C LEU A 51 -0.379 3.488 5.470 1.00 0.00 C ATOM 774 O LEU A 51 0.074 4.578 5.117 1.00 0.00 O ATOM 775 CB LEU A 51 0.716 1.257 4.894 1.00 0.00 C ATOM 776 CG LEU A 51 1.441 -0.023 5.364 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.414 -1.083 4.257 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.883 0.273 5.788 1.00 0.00 C ATOM 0 H LEU A 51 -0.261 0.823 7.050 1.00 0.00 H new ATOM 0 HA LEU A 51 1.537 2.842 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.278 0.980 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.255 1.662 4.038 1.00 0.00 H new ATOM 0 HG LEU A 51 0.913 -0.408 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.928 -1.981 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.380 -1.328 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.914 -0.695 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.363 -0.650 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.432 0.690 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.881 0.990 6.609 1.00 0.00 H new ATOM 790 N GLU A 52 -1.689 3.227 5.530 1.00 0.00 N ATOM 791 CA GLU A 52 -2.765 4.195 5.285 1.00 0.00 C ATOM 792 C GLU A 52 -2.667 5.416 6.222 1.00 0.00 C ATOM 793 O GLU A 52 -2.793 6.558 5.777 1.00 0.00 O ATOM 794 CB GLU A 52 -4.118 3.491 5.501 1.00 0.00 C ATOM 795 CG GLU A 52 -5.343 4.345 5.143 1.00 0.00 C ATOM 796 CD GLU A 52 -6.590 3.882 5.916 1.00 0.00 C ATOM 797 OE1 GLU A 52 -7.025 2.722 5.737 1.00 0.00 O ATOM 798 OE2 GLU A 52 -7.149 4.684 6.702 1.00 0.00 O ATOM 0 H GLU A 52 -2.044 2.299 5.760 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.673 4.558 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.139 2.580 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.194 3.189 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.139 5.391 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.532 4.283 4.071 1.00 0.00 H new ATOM 805 N ASP A 53 -2.437 5.194 7.518 1.00 0.00 N ATOM 806 CA ASP A 53 -2.460 6.244 8.541 1.00 0.00 C ATOM 807 C ASP A 53 -1.228 7.139 8.418 1.00 0.00 C ATOM 808 O ASP A 53 -1.304 8.351 8.559 1.00 0.00 O ATOM 809 CB ASP A 53 -2.507 5.563 9.916 1.00 0.00 C ATOM 810 CG ASP A 53 -2.844 6.466 11.111 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.420 7.563 10.933 1.00 0.00 O ATOM 812 OD2 ASP A 53 -2.593 6.012 12.254 1.00 0.00 O ATOM 0 H ASP A 53 -2.227 4.269 7.892 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.336 6.879 8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.243 4.760 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.539 5.098 10.101 1.00 0.00 H new ATOM 817 N ALA A 54 -0.094 6.531 8.091 1.00 0.00 N ATOM 818 CA ALA A 54 1.202 7.179 7.959 1.00 0.00 C ATOM 819 C ALA A 54 1.266 8.228 6.835 1.00 0.00 C ATOM 820 O ALA A 54 1.662 9.367 7.102 1.00 0.00 O ATOM 821 CB ALA A 54 2.227 6.065 7.783 1.00 0.00 C ATOM 0 H ALA A 54 -0.053 5.529 7.903 1.00 0.00 H new ATOM 0 HA ALA A 54 1.411 7.765 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.222 6.499 7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.206 5.410 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.988 5.488 6.890 1.00 0.00 H new ATOM 827 N PHE A 55 0.832 7.895 5.612 1.00 0.00 N ATOM 828 CA PHE A 55 0.798 8.875 4.514 1.00 0.00 C ATOM 829 C PHE A 55 -0.273 9.956 4.750 1.00 0.00 C ATOM 830 O PHE A 55 -0.179 11.067 4.228 1.00 0.00 O ATOM 831 CB PHE A 55 0.655 8.178 3.145 1.00 0.00 C ATOM 832 CG PHE A 55 -0.748 8.082 2.572 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.557 6.972 2.862 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.231 9.091 1.717 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.842 6.863 2.300 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.517 8.986 1.156 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.322 7.872 1.445 1.00 0.00 C ATOM 0 H PHE A 55 0.502 6.964 5.358 1.00 0.00 H new ATOM 0 HA PHE A 55 1.756 9.395 4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.281 8.708 2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.056 7.168 3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.191 6.198 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.613 9.947 1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.459 6.006 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.886 9.763 0.502 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.308 7.790 1.012 1.00 0.00 H new ATOM 847 N SER A 56 -1.262 9.640 5.587 1.00 0.00 N ATOM 848 CA SER A 56 -2.311 10.569 6.030 1.00 0.00 C ATOM 849 C SER A 56 -1.834 11.525 7.149 1.00 0.00 C ATOM 850 O SER A 56 -2.227 12.694 7.187 1.00 0.00 O ATOM 851 CB SER A 56 -3.533 9.757 6.487 1.00 0.00 C ATOM 852 OG SER A 56 -4.706 10.560 6.516 1.00 0.00 O ATOM 0 H SER A 56 -1.361 8.707 5.988 1.00 0.00 H new ATOM 0 HA SER A 56 -2.577 11.206 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.684 8.913 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.348 9.344 7.479 1.00 0.00 H new ATOM 0 HG SER A 56 -5.467 10.017 6.809 1.00 0.00 H new ATOM 858 N LYS A 57 -0.930 11.068 8.028 1.00 0.00 N ATOM 859 CA LYS A 57 -0.305 11.865 9.095 1.00 0.00 C ATOM 860 C LYS A 57 0.721 12.858 8.531 1.00 0.00 C ATOM 861 O LYS A 57 0.768 14.015 8.961 1.00 0.00 O ATOM 862 CB LYS A 57 0.398 10.918 10.085 1.00 0.00 C ATOM 863 CG LYS A 57 -0.552 10.226 11.077 1.00 0.00 C ATOM 864 CD LYS A 57 0.042 8.900 11.583 1.00 0.00 C ATOM 865 CE LYS A 57 1.451 9.029 12.188 1.00 0.00 C ATOM 866 NZ LYS A 57 1.403 9.395 13.630 1.00 0.00 N ATOM 0 H LYS A 57 -0.603 10.102 8.016 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.087 12.435 9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.936 10.155 9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.142 11.484 10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.744 10.887 11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.511 10.037 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.626 8.479 12.334 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.078 8.192 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.985 8.086 12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.014 9.785 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.372 9.472 14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.916 10.307 13.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.888 8.661 14.157 1.00 0.00 H new ATOM 880 N GLY A 58 1.543 12.398 7.577 1.00 0.00 N ATOM 881 CA GLY A 58 2.589 13.186 6.918 1.00 0.00 C ATOM 882 C GLY A 58 3.982 12.570 7.005 1.00 0.00 C ATOM 883 O GLY A 58 4.900 13.088 6.366 1.00 0.00 O ATOM 0 H GLY A 58 1.495 11.439 7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.325 13.314 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.615 14.180 7.364 1.00 0.00 H new ATOM 887 N LYS A 59 4.170 11.484 7.769 1.00 0.00 N ATOM 888 CA LYS A 59 5.447 10.768 7.787 1.00 0.00 C ATOM 889 C LYS A 59 5.771 10.117 6.431 1.00 0.00 C ATOM 890 O LYS A 59 4.895 9.717 5.663 1.00 0.00 O ATOM 891 CB LYS A 59 5.523 9.758 8.948 1.00 0.00 C ATOM 892 CG LYS A 59 4.285 8.867 9.085 1.00 0.00 C ATOM 893 CD LYS A 59 4.548 7.620 9.940 1.00 0.00 C ATOM 894 CE LYS A 59 5.115 7.910 11.338 1.00 0.00 C ATOM 895 NZ LYS A 59 5.401 6.649 12.077 1.00 0.00 N ATOM 0 H LYS A 59 3.456 11.086 8.379 1.00 0.00 H new ATOM 0 HA LYS A 59 6.222 11.514 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.399 9.125 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.670 10.303 9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.474 9.444 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.951 8.560 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.615 7.067 10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.243 6.971 9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.029 8.497 11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.404 8.512 11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.904 6.661 12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.075 5.836 11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.425 6.568 12.241 1.00 0.00 H new ATOM 909 N LYS A 60 7.071 9.987 6.166 1.00 0.00 N ATOM 910 CA LYS A 60 7.629 9.502 4.895 1.00 0.00 C ATOM 911 C LYS A 60 8.030 8.015 4.936 1.00 0.00 C ATOM 912 O LYS A 60 8.501 7.459 3.946 1.00 0.00 O ATOM 913 CB LYS A 60 8.761 10.458 4.468 1.00 0.00 C ATOM 914 CG LYS A 60 10.122 10.237 5.141 1.00 0.00 C ATOM 915 CD LYS A 60 11.085 11.385 4.795 1.00 0.00 C ATOM 916 CE LYS A 60 12.527 11.149 5.272 1.00 0.00 C ATOM 917 NZ LYS A 60 13.183 10.016 4.563 1.00 0.00 N ATOM 0 H LYS A 60 7.791 10.223 6.849 1.00 0.00 H new ATOM 0 HA LYS A 60 6.858 9.521 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.894 10.372 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.441 11.480 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.994 10.174 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.546 9.287 4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.089 11.531 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.711 12.307 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.111 12.057 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.524 10.950 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.216 10.119 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.897 9.118 5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.895 10.018 3.564 1.00 0.00 H new ATOM 931 N ASN A 61 7.831 7.367 6.087 1.00 0.00 N ATOM 932 CA ASN A 61 8.071 5.944 6.344 1.00 0.00 C ATOM 933 C ASN A 61 7.497 5.565 7.715 1.00 0.00 C ATOM 934 O ASN A 61 7.520 6.378 8.643 1.00 0.00 O ATOM 935 CB ASN A 61 9.563 5.557 6.253 1.00 0.00 C ATOM 936 CG ASN A 61 10.426 6.211 7.324 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.834 5.596 8.301 1.00 0.00 O ATOM 938 ND2 ASN A 61 10.706 7.485 7.150 1.00 0.00 N ATOM 0 H ASN A 61 7.477 7.850 6.913 1.00 0.00 H new ATOM 0 HA ASN A 61 7.562 5.382 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.655 4.474 6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.943 5.836 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.274 7.981 7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.355 7.977 6.328 1.00 0.00 H new ATOM 945 N THR A 62 6.982 4.342 7.830 1.00 0.00 N ATOM 946 CA THR A 62 6.384 3.804 9.068 1.00 0.00 C ATOM 947 C THR A 62 6.840 2.377 9.358 1.00 0.00 C ATOM 948 O THR A 62 7.600 1.804 8.588 1.00 0.00 O ATOM 949 CB THR A 62 4.865 3.986 9.036 1.00 0.00 C ATOM 950 OG1 THR A 62 4.405 3.951 10.368 1.00 0.00 O ATOM 951 CG2 THR A 62 4.143 2.931 8.195 1.00 0.00 C ATOM 0 H THR A 62 6.964 3.679 7.055 1.00 0.00 H new ATOM 0 HA THR A 62 6.751 4.378 9.919 1.00 0.00 H new ATOM 0 HB THR A 62 4.642 4.940 8.559 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.432 4.067 10.381 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.070 3.121 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.499 2.979 7.166 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.345 1.940 8.603 1.00 0.00 H new ATOM 959 N GLU A 63 6.408 1.815 10.482 1.00 0.00 N ATOM 960 CA GLU A 63 6.847 0.524 11.014 1.00 0.00 C ATOM 961 C GLU A 63 5.667 -0.432 11.216 1.00 0.00 C ATOM 962 O GLU A 63 4.551 -0.017 11.543 1.00 0.00 O ATOM 963 CB GLU A 63 7.579 0.747 12.345 1.00 0.00 C ATOM 964 CG GLU A 63 8.966 1.353 12.112 1.00 0.00 C ATOM 965 CD GLU A 63 9.711 1.598 13.430 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.322 2.515 14.190 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.709 0.891 13.697 1.00 0.00 O ATOM 0 H GLU A 63 5.711 2.265 11.076 1.00 0.00 H new ATOM 0 HA GLU A 63 7.522 0.065 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.991 1.408 12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.676 -0.201 12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.553 0.685 11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.865 2.294 11.572 1.00 0.00 H new ATOM 974 N MET A 64 5.931 -1.726 11.031 1.00 0.00 N ATOM 975 CA MET A 64 4.933 -2.801 11.039 1.00 0.00 C ATOM 976 C MET A 64 5.544 -4.148 11.442 1.00 0.00 C ATOM 977 O MET A 64 6.710 -4.433 11.163 1.00 0.00 O ATOM 978 CB MET A 64 4.242 -2.901 9.666 1.00 0.00 C ATOM 979 CG MET A 64 5.246 -2.981 8.509 1.00 0.00 C ATOM 980 SD MET A 64 4.552 -3.306 6.875 1.00 0.00 S ATOM 981 CE MET A 64 6.102 -3.764 6.062 1.00 0.00 C ATOM 0 H MET A 64 6.878 -2.068 10.866 1.00 0.00 H new ATOM 0 HA MET A 64 4.185 -2.551 11.791 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.601 -3.782 9.649 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.596 -2.034 9.524 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.796 -2.041 8.467 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.969 -3.764 8.736 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.065 -3.466 5.014 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.934 -3.259 6.553 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.243 -4.843 6.128 1.00 0.00 H new ATOM 991 N LEU A 65 4.731 -4.983 12.089 1.00 0.00 N ATOM 992 CA LEU A 65 5.078 -6.324 12.559 1.00 0.00 C ATOM 993 C LEU A 65 4.449 -7.379 11.648 1.00 0.00 C ATOM 994 O LEU A 65 3.313 -7.234 11.192 1.00 0.00 O ATOM 995 CB LEU A 65 4.598 -6.480 14.020 1.00 0.00 C ATOM 996 CG LEU A 65 5.582 -7.154 14.993 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.960 -8.591 14.627 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.834 -6.290 15.165 1.00 0.00 C ATOM 0 H LEU A 65 3.768 -4.731 12.310 1.00 0.00 H new ATOM 0 HA LEU A 65 6.158 -6.466 12.527 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.357 -5.491 14.408 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.672 -7.055 14.016 1.00 0.00 H new ATOM 0 HG LEU A 65 5.050 -7.233 15.941 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.656 -8.984 15.368 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.063 -9.210 14.608 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.431 -8.604 13.644 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.521 -6.779 15.856 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.322 -6.160 14.199 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.552 -5.315 15.563 1.00 0.00 H new ATOM 1010 N ILE A 66 5.194 -8.454 11.410 1.00 0.00 N ATOM 1011 CA ILE A 66 4.788 -9.590 10.558 1.00 0.00 C ATOM 1012 C ILE A 66 4.773 -10.922 11.339 1.00 0.00 C ATOM 1013 O ILE A 66 4.597 -10.928 12.556 1.00 0.00 O ATOM 1014 CB ILE A 66 5.627 -9.609 9.260 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.109 -9.962 9.518 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.475 -8.270 8.510 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.560 -11.200 8.735 1.00 0.00 C ATOM 0 H ILE A 66 6.124 -8.572 11.811 1.00 0.00 H new ATOM 0 HA ILE A 66 3.752 -9.454 10.247 1.00 0.00 H new ATOM 0 HB ILE A 66 5.239 -10.405 8.625 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.735 -9.113 9.242 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.258 -10.135 10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.070 -8.295 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.427 -8.112 8.256 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.820 -7.455 9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.608 -11.405 8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.954 -12.057 9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.439 -11.019 7.667 1.00 0.00 H new ATOM 1029 N ALA A 67 4.970 -12.057 10.661 1.00 0.00 N ATOM 1030 CA ALA A 67 5.021 -13.400 11.251 1.00 0.00 C ATOM 1031 C ALA A 67 6.115 -13.616 12.326 1.00 0.00 C ATOM 1032 O ALA A 67 6.038 -14.591 13.080 1.00 0.00 O ATOM 1033 CB ALA A 67 5.233 -14.379 10.090 1.00 0.00 C ATOM 0 H ALA A 67 5.103 -12.067 9.650 1.00 0.00 H new ATOM 0 HA ALA A 67 4.086 -13.558 11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.278 -15.397 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.405 -14.294 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.167 -14.142 9.580 1.00 0.00 H new ATOM 1039 N GLY A 68 7.116 -12.729 12.415 1.00 0.00 N ATOM 1040 CA GLY A 68 8.197 -12.814 13.408 1.00 0.00 C ATOM 1041 C GLY A 68 9.253 -11.701 13.372 1.00 0.00 C ATOM 1042 O GLY A 68 10.318 -11.874 13.965 1.00 0.00 O ATOM 0 H GLY A 68 7.199 -11.924 11.794 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.747 -12.825 14.401 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.705 -13.770 13.278 1.00 0.00 H new ATOM 1046 N PHE A 69 8.986 -10.582 12.684 1.00 0.00 N ATOM 1047 CA PHE A 69 9.969 -9.530 12.378 1.00 0.00 C ATOM 1048 C PHE A 69 9.321 -8.141 12.267 1.00 0.00 C ATOM 1049 O PHE A 69 8.154 -8.014 11.887 1.00 0.00 O ATOM 1050 CB PHE A 69 10.694 -9.864 11.056 1.00 0.00 C ATOM 1051 CG PHE A 69 11.515 -11.142 11.057 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.842 -11.121 11.535 1.00 0.00 C ATOM 1053 CD2 PHE A 69 10.966 -12.348 10.581 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.611 -12.299 11.534 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.736 -13.525 10.581 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.059 -13.500 11.058 1.00 0.00 C ATOM 0 H PHE A 69 8.057 -10.377 12.315 1.00 0.00 H new ATOM 0 HA PHE A 69 10.680 -9.499 13.204 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.950 -9.933 10.263 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.352 -9.032 10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.268 -10.199 11.902 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.950 -12.369 10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.627 -12.280 11.900 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.311 -14.448 10.215 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.650 -14.404 11.058 1.00 0.00 H new ATOM 1066 N LEU A 70 10.106 -7.098 12.561 1.00 0.00 N ATOM 1067 CA LEU A 70 9.762 -5.696 12.313 1.00 0.00 C ATOM 1068 C LEU A 70 10.286 -5.308 10.923 1.00 0.00 C ATOM 1069 O LEU A 70 11.481 -5.423 10.645 1.00 0.00 O ATOM 1070 CB LEU A 70 10.386 -4.826 13.426 1.00 0.00 C ATOM 1071 CG LEU A 70 9.878 -3.377 13.608 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.930 -2.511 12.344 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.456 -3.339 14.181 1.00 0.00 C ATOM 0 H LEU A 70 11.024 -7.211 12.990 1.00 0.00 H new ATOM 0 HA LEU A 70 8.683 -5.541 12.330 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.243 -5.348 14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.460 -4.780 13.246 1.00 0.00 H new ATOM 0 HG LEU A 70 10.583 -2.943 14.317 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.554 -1.513 12.571 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.960 -2.440 11.994 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.313 -2.963 11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.137 -2.303 14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.777 -3.857 13.504 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.442 -3.830 15.154 1.00 0.00 H new ATOM 1085 N TYR A 71 9.397 -4.795 10.079 1.00 0.00 N ATOM 1086 CA TYR A 71 9.731 -4.175 8.794 1.00 0.00 C ATOM 1087 C TYR A 71 9.344 -2.686 8.775 1.00 0.00 C ATOM 1088 O TYR A 71 8.260 -2.296 9.208 1.00 0.00 O ATOM 1089 CB TYR A 71 9.076 -4.950 7.638 1.00 0.00 C ATOM 1090 CG TYR A 71 9.522 -6.394 7.452 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.869 -6.774 7.628 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.577 -7.371 7.089 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.257 -8.119 7.485 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.952 -8.719 6.959 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.298 -9.101 7.157 1.00 0.00 C ATOM 1096 OH TYR A 71 10.684 -10.399 7.045 1.00 0.00 O ATOM 0 H TYR A 71 8.395 -4.797 10.272 1.00 0.00 H new ATOM 0 HA TYR A 71 10.812 -4.224 8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.997 -4.943 7.790 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.271 -4.410 6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.609 -6.027 7.875 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.552 -7.082 6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.290 -8.400 7.626 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.211 -9.463 6.708 1.00 0.00 H new ATOM 0 HH TYR A 71 9.926 -10.941 6.742 1.00 0.00 H new ATOM 1106 N VAL A 72 10.249 -1.860 8.257 1.00 0.00 N ATOM 1107 CA VAL A 72 10.050 -0.436 7.977 1.00 0.00 C ATOM 1108 C VAL A 72 9.514 -0.333 6.550 1.00 0.00 C ATOM 1109 O VAL A 72 10.158 -0.808 5.616 1.00 0.00 O ATOM 1110 CB VAL A 72 11.365 0.370 8.104 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.114 1.882 7.963 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.087 0.102 9.434 1.00 0.00 C ATOM 0 H VAL A 72 11.186 -2.178 8.008 1.00 0.00 H new ATOM 0 HA VAL A 72 9.354 -0.015 8.702 1.00 0.00 H new ATOM 0 HB VAL A 72 12.005 0.032 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.058 2.418 8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.675 2.089 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.430 2.212 8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.004 0.690 9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.438 0.383 10.263 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.332 -0.957 9.508 1.00 0.00 H new ATOM 1122 N ALA A 73 8.338 0.264 6.384 1.00 0.00 N ATOM 1123 CA ALA A 73 7.724 0.556 5.094 1.00 0.00 C ATOM 1124 C ALA A 73 8.041 2.003 4.693 1.00 0.00 C ATOM 1125 O ALA A 73 7.679 2.949 5.390 1.00 0.00 O ATOM 1126 CB ALA A 73 6.220 0.295 5.200 1.00 0.00 C ATOM 0 H ALA A 73 7.766 0.568 7.172 1.00 0.00 H new ATOM 0 HA ALA A 73 8.125 -0.089 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.745 0.509 4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.050 -0.749 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.792 0.939 5.969 1.00 0.00 H new ATOM 1132 N ASP A 74 8.730 2.169 3.568 1.00 0.00 N ATOM 1133 CA ASP A 74 9.166 3.443 3.010 1.00 0.00 C ATOM 1134 C ASP A 74 8.090 3.994 2.062 1.00 0.00 C ATOM 1135 O ASP A 74 7.846 3.442 0.983 1.00 0.00 O ATOM 1136 CB ASP A 74 10.514 3.231 2.308 1.00 0.00 C ATOM 1137 CG ASP A 74 11.190 4.550 1.923 1.00 0.00 C ATOM 1138 OD1 ASP A 74 10.625 5.281 1.077 1.00 0.00 O ATOM 1139 OD2 ASP A 74 12.292 4.833 2.447 1.00 0.00 O ATOM 0 H ASP A 74 9.014 1.377 2.992 1.00 0.00 H new ATOM 0 HA ASP A 74 9.304 4.186 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.176 2.665 2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.362 2.629 1.412 1.00 0.00 H new ATOM 1144 N LEU A 75 7.448 5.086 2.485 1.00 0.00 N ATOM 1145 CA LEU A 75 6.340 5.736 1.781 1.00 0.00 C ATOM 1146 C LEU A 75 6.830 6.721 0.695 1.00 0.00 C ATOM 1147 O LEU A 75 6.008 7.216 -0.077 1.00 0.00 O ATOM 1148 CB LEU A 75 5.398 6.410 2.809 1.00 0.00 C ATOM 1149 CG LEU A 75 4.348 5.507 3.492 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.878 4.268 4.223 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.535 6.360 4.477 1.00 0.00 C ATOM 0 H LEU A 75 7.693 5.557 3.356 1.00 0.00 H new ATOM 0 HA LEU A 75 5.776 4.973 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.013 6.863 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.872 7.221 2.306 1.00 0.00 H new ATOM 0 HG LEU A 75 3.748 5.106 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.044 3.718 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.405 3.627 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.562 4.577 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.788 5.736 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.202 6.785 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.037 7.165 3.936 1.00 0.00 H new ATOM 1163 N GLU A 76 8.140 6.989 0.595 1.00 0.00 N ATOM 1164 CA GLU A 76 8.722 7.806 -0.480 1.00 0.00 C ATOM 1165 C GLU A 76 8.990 6.972 -1.741 1.00 0.00 C ATOM 1166 O GLU A 76 8.571 7.321 -2.846 1.00 0.00 O ATOM 1167 CB GLU A 76 10.069 8.415 -0.060 1.00 0.00 C ATOM 1168 CG GLU A 76 10.059 9.278 1.197 1.00 0.00 C ATOM 1169 CD GLU A 76 11.325 10.143 1.270 1.00 0.00 C ATOM 1170 OE1 GLU A 76 11.341 11.246 0.677 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.304 9.735 1.938 1.00 0.00 O ATOM 0 H GLU A 76 8.830 6.643 1.262 1.00 0.00 H new ATOM 0 HA GLU A 76 7.992 8.589 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.780 7.602 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.444 9.019 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.176 9.916 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.995 8.642 2.080 1.00 0.00 H new ATOM 1178 N ASN A 77 9.714 5.866 -1.561 1.00 0.00 N ATOM 1179 CA ASN A 77 10.266 5.015 -2.619 1.00 0.00 C ATOM 1180 C ASN A 77 9.354 3.816 -2.937 1.00 0.00 C ATOM 1181 O ASN A 77 9.614 3.069 -3.881 1.00 0.00 O ATOM 1182 CB ASN A 77 11.651 4.524 -2.157 1.00 0.00 C ATOM 1183 CG ASN A 77 12.664 5.650 -1.963 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.415 5.993 -2.869 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.735 6.243 -0.784 1.00 0.00 N ATOM 0 H ASN A 77 9.943 5.522 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 77 10.345 5.597 -3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.540 3.980 -1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.041 3.818 -2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.415 6.987 -0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.110 5.957 -0.031 1.00 0.00 H new ATOM 1192 N MET A 78 8.310 3.617 -2.121 1.00 0.00 N ATOM 1193 CA MET A 78 7.384 2.471 -2.148 1.00 0.00 C ATOM 1194 C MET A 78 8.136 1.130 -2.050 1.00 0.00 C ATOM 1195 O MET A 78 8.011 0.252 -2.905 1.00 0.00 O ATOM 1196 CB MET A 78 6.428 2.534 -3.354 1.00 0.00 C ATOM 1197 CG MET A 78 5.545 3.789 -3.425 1.00 0.00 C ATOM 1198 SD MET A 78 3.907 3.659 -2.645 1.00 0.00 S ATOM 1199 CE MET A 78 4.325 4.038 -0.929 1.00 0.00 C ATOM 0 H MET A 78 8.074 4.284 -1.386 1.00 0.00 H new ATOM 0 HA MET A 78 6.756 2.537 -1.260 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.018 2.472 -4.268 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.782 1.656 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.083 4.614 -2.958 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.406 4.052 -4.474 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.441 4.415 -0.414 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.676 3.134 -0.432 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.110 4.794 -0.904 1.00 0.00 H new ATOM 1209 N VAL A 79 8.891 0.953 -0.963 1.00 0.00 N ATOM 1210 CA VAL A 79 9.583 -0.310 -0.610 1.00 0.00 C ATOM 1211 C VAL A 79 9.406 -0.640 0.878 1.00 0.00 C ATOM 1212 O VAL A 79 8.854 0.161 1.626 1.00 0.00 O ATOM 1213 CB VAL A 79 11.093 -0.297 -0.970 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.344 -0.275 -2.482 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.841 0.852 -0.278 1.00 0.00 C ATOM 0 H VAL A 79 9.048 1.695 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 79 9.112 -1.087 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 79 11.494 -1.237 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.417 -0.267 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.902 -1.161 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.892 0.618 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.894 0.822 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.410 1.805 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.751 0.746 0.803 1.00 0.00 H new ATOM 1225 N GLN A 80 9.902 -1.794 1.323 1.00 0.00 N ATOM 1226 CA GLN A 80 9.948 -2.194 2.726 1.00 0.00 C ATOM 1227 C GLN A 80 11.157 -3.095 3.017 1.00 0.00 C ATOM 1228 O GLN A 80 11.580 -3.880 2.167 1.00 0.00 O ATOM 1229 CB GLN A 80 8.609 -2.837 3.137 1.00 0.00 C ATOM 1230 CG GLN A 80 8.318 -4.189 2.458 1.00 0.00 C ATOM 1231 CD GLN A 80 8.639 -5.384 3.355 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.780 -5.888 4.058 1.00 0.00 O ATOM 1233 NE2 GLN A 80 9.857 -5.884 3.374 1.00 0.00 N ATOM 0 H GLN A 80 10.295 -2.497 0.697 1.00 0.00 H new ATOM 0 HA GLN A 80 10.086 -1.305 3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.604 -2.978 4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.800 -2.145 2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.267 -4.228 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.901 -4.262 1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.586 -5.473 2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.071 -6.682 3.971 1.00 0.00 H new ATOM 1242 N TYR A 81 11.700 -2.983 4.229 1.00 0.00 N ATOM 1243 CA TYR A 81 12.958 -3.602 4.673 1.00 0.00 C ATOM 1244 C TYR A 81 13.029 -3.728 6.208 1.00 0.00 C ATOM 1245 O TYR A 81 12.352 -2.988 6.925 1.00 0.00 O ATOM 1246 CB TYR A 81 14.141 -2.777 4.127 1.00 0.00 C ATOM 1247 CG TYR A 81 14.011 -1.263 4.254 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.154 -0.628 5.504 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.735 -0.483 3.112 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.033 0.770 5.614 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.616 0.916 3.209 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.758 1.550 4.466 1.00 0.00 C ATOM 1253 OH TYR A 81 13.629 2.902 4.583 1.00 0.00 O ATOM 0 H TYR A 81 11.258 -2.433 4.966 1.00 0.00 H new ATOM 0 HA TYR A 81 13.007 -4.617 4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.047 -3.089 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.276 -3.024 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.358 -1.219 6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.614 -0.964 2.153 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.150 1.248 6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.417 1.505 2.326 1.00 0.00 H new ATOM 0 HH TYR A 81 13.196 3.260 3.780 1.00 0.00 H new ATOM 1263 N ARG A 82 13.860 -4.630 6.740 1.00 0.00 N ATOM 1264 CA ARG A 82 14.175 -4.697 8.183 1.00 0.00 C ATOM 1265 C ARG A 82 14.966 -3.449 8.632 1.00 0.00 C ATOM 1266 O ARG A 82 15.681 -2.859 7.827 1.00 0.00 O ATOM 1267 CB ARG A 82 14.908 -6.024 8.455 1.00 0.00 C ATOM 1268 CG ARG A 82 15.154 -6.305 9.946 1.00 0.00 C ATOM 1269 CD ARG A 82 15.696 -7.724 10.153 1.00 0.00 C ATOM 1270 NE ARG A 82 15.983 -7.976 11.579 1.00 0.00 N ATOM 1271 CZ ARG A 82 17.161 -7.908 12.189 1.00 0.00 C ATOM 1272 NH1 ARG A 82 18.273 -7.607 11.548 1.00 0.00 N ATOM 1273 NH2 ARG A 82 17.239 -8.144 13.481 1.00 0.00 N ATOM 0 H ARG A 82 14.338 -5.340 6.185 1.00 0.00 H new ATOM 0 HA ARG A 82 13.264 -4.687 8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.326 -6.843 8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.866 -6.012 7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.862 -5.579 10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.224 -6.182 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.970 -8.451 9.790 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.604 -7.860 9.566 1.00 0.00 H new ATOM 0 HE ARG A 82 15.186 -8.231 12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.249 -7.416 10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.158 -7.565 12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.398 -8.378 14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.141 -8.093 13.955 1.00 0.00 H new ATOM 1287 N ARG A 83 14.869 -3.033 9.902 1.00 0.00 N ATOM 1288 CA ARG A 83 15.442 -1.760 10.409 1.00 0.00 C ATOM 1289 C ARG A 83 16.937 -1.519 10.094 1.00 0.00 C ATOM 1290 O ARG A 83 17.340 -0.370 9.914 1.00 0.00 O ATOM 1291 CB ARG A 83 15.212 -1.650 11.929 1.00 0.00 C ATOM 1292 CG ARG A 83 13.764 -1.260 12.279 1.00 0.00 C ATOM 1293 CD ARG A 83 13.494 -1.275 13.793 1.00 0.00 C ATOM 1294 NE ARG A 83 14.443 -0.435 14.549 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.324 0.855 14.852 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.254 1.562 14.562 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.313 1.465 15.471 1.00 0.00 N ATOM 0 H ARG A 83 14.386 -3.571 10.622 1.00 0.00 H new ATOM 0 HA ARG A 83 14.909 -0.981 9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.452 -2.603 12.400 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.895 -0.909 12.344 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.555 -0.265 11.887 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.077 -1.948 11.785 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.478 -0.927 13.980 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.552 -2.300 14.158 1.00 0.00 H new ATOM 0 HE ARG A 83 15.290 -0.898 14.878 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.467 1.123 14.084 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.211 2.549 14.816 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.159 0.949 15.713 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.233 2.454 15.709 1.00 0.00 H new ATOM 1311 N ASN A 84 17.754 -2.578 9.999 1.00 0.00 N ATOM 1312 CA ASN A 84 19.192 -2.512 9.672 1.00 0.00 C ATOM 1313 C ASN A 84 19.522 -2.803 8.182 1.00 0.00 C ATOM 1314 O ASN A 84 20.688 -2.791 7.780 1.00 0.00 O ATOM 1315 CB ASN A 84 19.934 -3.458 10.631 1.00 0.00 C ATOM 1316 CG ASN A 84 21.435 -3.177 10.678 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.874 -2.093 11.047 1.00 0.00 O ATOM 1318 ND2 ASN A 84 22.264 -4.139 10.315 1.00 0.00 N ATOM 0 H ASN A 84 17.427 -3.532 10.151 1.00 0.00 H new ATOM 0 HA ASN A 84 19.530 -1.485 9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.516 -3.357 11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.769 -4.490 10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 84 23.271 -3.981 10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.897 -5.040 10.008 1.00 0.00 H new ATOM 1325 N GLU A 85 18.510 -3.119 7.370 1.00 0.00 N ATOM 1326 CA GLU A 85 18.605 -3.631 5.998 1.00 0.00 C ATOM 1327 C GLU A 85 18.305 -2.533 4.960 1.00 0.00 C ATOM 1328 O GLU A 85 17.480 -1.650 5.191 1.00 0.00 O ATOM 1329 CB GLU A 85 17.603 -4.793 5.898 1.00 0.00 C ATOM 1330 CG GLU A 85 17.515 -5.533 4.565 1.00 0.00 C ATOM 1331 CD GLU A 85 16.438 -6.622 4.678 1.00 0.00 C ATOM 1332 OE1 GLU A 85 15.239 -6.264 4.734 1.00 0.00 O ATOM 1333 OE2 GLU A 85 16.794 -7.820 4.748 1.00 0.00 O ATOM 0 H GLU A 85 17.541 -3.018 7.671 1.00 0.00 H new ATOM 0 HA GLU A 85 19.617 -3.971 5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.852 -5.520 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 85 16.612 -4.404 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.267 -4.838 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.478 -5.978 4.315 1.00 0.00 H new ATOM 1340 N HIS A 86 18.960 -2.605 3.795 1.00 0.00 N ATOM 1341 CA HIS A 86 18.702 -1.713 2.647 1.00 0.00 C ATOM 1342 C HIS A 86 18.950 -2.363 1.267 1.00 0.00 C ATOM 1343 O HIS A 86 18.204 -2.097 0.319 1.00 0.00 O ATOM 1344 CB HIS A 86 19.507 -0.412 2.821 1.00 0.00 C ATOM 1345 CG HIS A 86 21.002 -0.602 2.786 1.00 0.00 C ATOM 1346 ND1 HIS A 86 21.795 -0.546 1.635 1.00 0.00 N ATOM 1347 CD2 HIS A 86 21.795 -0.892 3.856 1.00 0.00 C ATOM 1348 CE1 HIS A 86 23.048 -0.800 2.049 1.00 0.00 C ATOM 1349 NE2 HIS A 86 23.080 -1.012 3.377 1.00 0.00 N ATOM 0 H HIS A 86 19.694 -3.291 3.616 1.00 0.00 H new ATOM 0 HA HIS A 86 17.635 -1.489 2.650 1.00 0.00 H new ATOM 0 HB2 HIS A 86 19.222 0.286 2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 86 19.232 0.048 3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 86 21.477 -1.006 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 86 23.913 -0.830 1.403 1.00 0.00 H new ATOM 0 HE2 HIS A 86 23.910 -1.224 3.931 1.00 0.00 H new ATOM 1357 N GLY A 87 19.930 -3.270 1.153 1.00 0.00 N ATOM 1358 CA GLY A 87 20.299 -3.950 -0.104 1.00 0.00 C ATOM 1359 C GLY A 87 19.361 -5.088 -0.525 1.00 0.00 C ATOM 1360 O GLY A 87 19.487 -5.592 -1.642 1.00 0.00 O ATOM 0 H GLY A 87 20.502 -3.560 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.330 -3.210 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.308 -4.350 -0.000 1.00 0.00 H new ATOM 1364 N ARG A 88 18.415 -5.471 0.345 1.00 0.00 N ATOM 1365 CA ARG A 88 17.449 -6.569 0.155 1.00 0.00 C ATOM 1366 C ARG A 88 15.978 -6.095 0.253 1.00 0.00 C ATOM 1367 O ARG A 88 15.070 -6.905 0.442 1.00 0.00 O ATOM 1368 CB ARG A 88 17.800 -7.696 1.154 1.00 0.00 C ATOM 1369 CG ARG A 88 17.815 -9.104 0.541 1.00 0.00 C ATOM 1370 CD ARG A 88 16.434 -9.590 0.090 1.00 0.00 C ATOM 1371 NE ARG A 88 16.463 -11.013 -0.297 1.00 0.00 N ATOM 1372 CZ ARG A 88 15.534 -11.919 -0.008 1.00 0.00 C ATOM 1373 NH1 ARG A 88 14.452 -11.637 0.675 1.00 0.00 N ATOM 1374 NH2 ARG A 88 15.652 -13.163 -0.399 1.00 0.00 N ATOM 0 H ARG A 88 18.295 -5.003 1.243 1.00 0.00 H new ATOM 0 HA ARG A 88 17.531 -6.959 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 88 18.779 -7.490 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.080 -7.677 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 88 18.491 -9.112 -0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 88 18.217 -9.805 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.715 -9.445 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.093 -8.989 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 88 17.269 -11.331 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.294 -10.687 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.768 -12.368 0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.469 -13.453 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.927 -13.842 -0.166 1.00 0.00 H new ATOM 1388 N ARG A 89 15.740 -4.781 0.132 1.00 0.00 N ATOM 1389 CA ARG A 89 14.409 -4.147 0.155 1.00 0.00 C ATOM 1390 C ARG A 89 13.440 -4.755 -0.880 1.00 0.00 C ATOM 1391 O ARG A 89 13.835 -5.046 -2.012 1.00 0.00 O ATOM 1392 CB ARG A 89 14.559 -2.620 0.007 1.00 0.00 C ATOM 1393 CG ARG A 89 15.154 -2.156 -1.334 1.00 0.00 C ATOM 1394 CD ARG A 89 15.603 -0.690 -1.289 1.00 0.00 C ATOM 1395 NE ARG A 89 16.130 -0.249 -2.594 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.380 -0.364 -3.033 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.333 -0.921 -2.315 1.00 0.00 N ATOM 1398 NH2 ARG A 89 17.692 0.093 -4.226 1.00 0.00 N ATOM 0 H ARG A 89 16.494 -4.105 0.011 1.00 0.00 H new ATOM 0 HA ARG A 89 13.950 -4.353 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.579 -2.159 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.190 -2.251 0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.004 -2.788 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.413 -2.284 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.762 -0.059 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.370 -0.566 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 89 15.464 0.192 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.125 -1.284 -1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.279 -0.990 -2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.978 0.532 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.648 0.009 -4.570 1.00 0.00 H new ATOM 1412 N ARG A 90 12.174 -4.928 -0.485 1.00 0.00 N ATOM 1413 CA ARG A 90 11.072 -5.462 -1.308 1.00 0.00 C ATOM 1414 C ARG A 90 10.135 -4.327 -1.719 1.00 0.00 C ATOM 1415 O ARG A 90 9.827 -3.466 -0.902 1.00 0.00 O ATOM 1416 CB ARG A 90 10.274 -6.516 -0.516 1.00 0.00 C ATOM 1417 CG ARG A 90 11.015 -7.852 -0.369 1.00 0.00 C ATOM 1418 CD ARG A 90 10.142 -8.878 0.374 1.00 0.00 C ATOM 1419 NE ARG A 90 10.695 -10.240 0.287 1.00 0.00 N ATOM 1420 CZ ARG A 90 10.702 -11.047 -0.764 1.00 0.00 C ATOM 1421 NH1 ARG A 90 10.132 -10.741 -1.910 1.00 0.00 N ATOM 1422 NH2 ARG A 90 11.304 -12.204 -0.638 1.00 0.00 N ATOM 0 H ARG A 90 11.871 -4.690 0.459 1.00 0.00 H new ATOM 0 HA ARG A 90 11.497 -5.928 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.049 -6.122 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.320 -6.690 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.280 -8.237 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.947 -7.699 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.055 -8.589 1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.136 -8.868 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 90 11.124 -10.606 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.656 -9.846 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.167 -11.399 -2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.746 -12.456 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.331 -12.853 -1.424 1.00 0.00 H new ATOM 1436 N LYS A 91 9.653 -4.322 -2.960 1.00 0.00 N ATOM 1437 CA LYS A 91 8.670 -3.341 -3.448 1.00 0.00 C ATOM 1438 C LYS A 91 7.301 -3.456 -2.757 1.00 0.00 C ATOM 1439 O LYS A 91 6.830 -4.560 -2.468 1.00 0.00 O ATOM 1440 CB LYS A 91 8.499 -3.527 -4.970 1.00 0.00 C ATOM 1441 CG LYS A 91 9.448 -2.681 -5.834 1.00 0.00 C ATOM 1442 CD LYS A 91 9.136 -1.171 -5.824 1.00 0.00 C ATOM 1443 CE LYS A 91 7.735 -0.766 -6.312 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.537 -1.038 -7.761 1.00 0.00 N ATOM 0 H LYS A 91 9.933 -5.003 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 91 9.054 -2.349 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.650 -4.579 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.471 -3.283 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.470 -2.832 -5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.405 -3.043 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.265 -0.801 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.875 -0.664 -6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.983 -1.307 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.580 0.296 -6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.578 -0.748 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.236 -0.502 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.658 -2.055 -7.943 1.00 0.00 H new ATOM 1458 N ILE A 92 6.628 -2.318 -2.571 1.00 0.00 N ATOM 1459 CA ILE A 92 5.213 -2.217 -2.166 1.00 0.00 C ATOM 1460 C ILE A 92 4.444 -1.342 -3.168 1.00 0.00 C ATOM 1461 O ILE A 92 5.046 -0.670 -4.007 1.00 0.00 O ATOM 1462 CB ILE A 92 5.041 -1.746 -0.700 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.579 -0.325 -0.492 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.712 -2.721 0.276 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.293 0.288 0.878 1.00 0.00 C ATOM 0 H ILE A 92 7.064 -1.405 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 92 4.781 -3.217 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 92 3.971 -1.731 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.658 -0.336 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.152 0.323 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.575 -2.365 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.261 -3.708 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.777 -2.784 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.715 1.292 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.216 0.339 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.744 -0.330 1.654 1.00 0.00 H new ATOM 1477 N LYS A 93 3.113 -1.361 -3.099 1.00 0.00 N ATOM 1478 CA LYS A 93 2.220 -0.537 -3.925 1.00 0.00 C ATOM 1479 C LYS A 93 0.848 -0.317 -3.262 1.00 0.00 C ATOM 1480 O LYS A 93 0.500 -0.992 -2.289 1.00 0.00 O ATOM 1481 CB LYS A 93 2.075 -1.138 -5.345 1.00 0.00 C ATOM 1482 CG LYS A 93 1.255 -2.438 -5.376 1.00 0.00 C ATOM 1483 CD LYS A 93 0.950 -2.912 -6.800 1.00 0.00 C ATOM 1484 CE LYS A 93 0.163 -4.229 -6.743 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.473 -4.552 -8.046 1.00 0.00 N ATOM 0 H LYS A 93 2.609 -1.965 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 93 2.680 0.447 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.602 -0.403 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.067 -1.333 -5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.801 -3.219 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.318 -2.284 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.374 -2.154 -7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.878 -3.054 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.832 -5.040 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.604 -4.160 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.651 -5.575 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.374 -4.039 -8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.160 -4.268 -8.821 1.00 0.00 H new ATOM 1499 N ARG A 94 0.058 0.585 -3.849 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.367 0.790 -3.562 1.00 0.00 C ATOM 1501 C ARG A 94 -2.188 0.424 -4.807 1.00 0.00 C ATOM 1502 O ARG A 94 -1.797 0.733 -5.932 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.612 2.242 -3.126 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.256 2.440 -1.643 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.254 3.922 -1.248 1.00 0.00 C ATOM 1506 NE ARG A 94 0.022 4.574 -1.603 1.00 0.00 N ATOM 1507 CZ ARG A 94 0.408 5.792 -1.247 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -0.367 6.594 -0.547 1.00 0.00 N ATOM 1509 NH2 ARG A 94 1.598 6.226 -1.601 1.00 0.00 N ATOM 0 H ARG A 94 0.407 1.220 -4.567 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.681 0.145 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.014 2.916 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.657 2.503 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.971 1.900 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.274 2.010 -1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.077 4.434 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.425 4.014 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 94 0.670 4.035 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.296 6.284 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.038 7.525 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.218 5.627 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.901 7.162 -1.330 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.316 -0.248 -4.599 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.215 -0.779 -5.632 1.00 0.00 C ATOM 1525 C ASP A 95 -5.691 -0.629 -5.219 1.00 0.00 C ATOM 1526 O ASP A 95 -5.997 -0.089 -4.156 1.00 0.00 O ATOM 1527 CB ASP A 95 -3.878 -2.258 -5.910 1.00 0.00 C ATOM 1528 CG ASP A 95 -3.891 -2.573 -7.414 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -4.950 -2.366 -8.052 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -2.847 -3.023 -7.943 1.00 0.00 O ATOM 0 H ASP A 95 -3.650 -0.450 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.068 -0.202 -6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.896 -2.491 -5.498 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.598 -2.897 -5.398 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.609 -1.125 -6.054 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.062 -0.959 -5.916 1.00 0.00 C ATOM 1537 C ILE A 96 -8.778 -2.310 -6.021 1.00 0.00 C ATOM 1538 O ILE A 96 -8.472 -3.136 -6.883 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.597 0.020 -6.986 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -7.873 1.383 -6.980 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.114 0.244 -6.815 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.133 2.207 -5.718 1.00 0.00 C ATOM 0 H ILE A 96 -6.353 -1.673 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.265 -0.542 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.397 -0.451 -7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.801 1.216 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.189 1.957 -7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.468 0.936 -7.579 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.636 -0.707 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.311 0.662 -5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.593 3.152 -5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.201 2.405 -5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.791 1.652 -4.844 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.767 -2.506 -5.153 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.706 -3.640 -5.202 1.00 0.00 C ATOM 1556 C ILE A 97 -11.947 -3.277 -6.020 1.00 0.00 C ATOM 1557 O ILE A 97 -12.486 -2.181 -5.875 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.133 -4.080 -3.791 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.942 -4.424 -2.881 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.082 -5.284 -3.873 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.431 -3.200 -2.112 1.00 0.00 C ATOM 0 H ILE A 97 -9.948 -1.871 -4.376 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.187 -4.470 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.645 -3.228 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.239 -5.198 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.133 -4.836 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.376 -5.585 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.969 -5.010 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.575 -6.114 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.590 -3.491 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.108 -2.435 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.231 -2.803 -1.488 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.444 -4.225 -6.817 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.621 -4.041 -7.683 1.00 0.00 C ATOM 1575 C ASP A 98 -14.945 -4.601 -7.119 1.00 0.00 C ATOM 1576 O ASP A 98 -16.010 -4.101 -7.482 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.299 -4.631 -9.064 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.374 -4.319 -10.119 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -14.538 -3.127 -10.474 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -15.015 -5.271 -10.625 1.00 0.00 O ATOM 0 H ASP A 98 -12.037 -5.158 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.807 -2.969 -7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.340 -4.241 -9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.189 -5.712 -8.974 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.871 -5.584 -6.206 1.00 0.00 N ATOM 1586 CA ILE A 99 -15.971 -6.221 -5.433 1.00 0.00 C ATOM 1587 C ILE A 99 -16.839 -7.174 -6.308 1.00 0.00 C ATOM 1588 O ILE A 99 -17.298 -6.771 -7.384 1.00 0.00 O ATOM 1589 CB ILE A 99 -16.834 -5.175 -4.668 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.007 -4.231 -3.760 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -17.960 -5.822 -3.840 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.383 -4.887 -2.519 1.00 0.00 C ATOM 0 H ILE A 99 -13.969 -5.993 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.495 -6.846 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.280 -4.572 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.209 -3.789 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.650 -3.414 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.528 -5.045 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.623 -6.381 -4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.527 -6.499 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -14.826 -4.140 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.172 -5.303 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.708 -5.684 -2.830 1.00 0.00 H new ATOM 1604 N PRO A 100 -17.090 -8.429 -5.872 1.00 0.00 N ATOM 1605 CA PRO A 100 -17.903 -9.403 -6.603 1.00 0.00 C ATOM 1606 C PRO A 100 -19.404 -9.118 -6.460 1.00 0.00 C ATOM 1607 O PRO A 100 -19.833 -8.326 -5.621 1.00 0.00 O ATOM 1608 CB PRO A 100 -17.538 -10.763 -5.996 1.00 0.00 C ATOM 1609 CG PRO A 100 -17.243 -10.413 -4.539 1.00 0.00 C ATOM 1610 CD PRO A 100 -16.582 -9.039 -4.650 1.00 0.00 C ATOM 0 HA PRO A 100 -17.703 -9.364 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -18.356 -11.478 -6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.673 -11.207 -6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.152 -10.377 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -16.582 -11.144 -4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.820 -8.424 -3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.497 -9.133 -4.686 1.00 0.00 H new ATOM 1618 N LYS A 101 -20.223 -9.822 -7.251 1.00 0.00 N ATOM 1619 CA LYS A 101 -21.691 -9.688 -7.222 1.00 0.00 C ATOM 1620 C LYS A 101 -22.325 -9.987 -5.846 1.00 0.00 C ATOM 1621 O LYS A 101 -23.371 -9.430 -5.506 1.00 0.00 O ATOM 1622 CB LYS A 101 -22.317 -10.525 -8.358 1.00 0.00 C ATOM 1623 CG LYS A 101 -22.080 -12.044 -8.235 1.00 0.00 C ATOM 1624 CD LYS A 101 -22.854 -12.851 -9.292 1.00 0.00 C ATOM 1625 CE LYS A 101 -22.498 -12.520 -10.752 1.00 0.00 C ATOM 1626 NZ LYS A 101 -21.116 -12.933 -11.113 1.00 0.00 N ATOM 0 H LYS A 101 -19.889 -10.503 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.919 -8.636 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -23.391 -10.338 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.913 -10.182 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.014 -12.251 -8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.378 -12.375 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.673 -13.912 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -23.921 -12.682 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -23.206 -13.016 -11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -22.606 -11.448 -10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -20.928 -12.687 -12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -20.435 -12.441 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -21.016 -13.960 -10.986 1.00 0.00 H new ATOM 1640 N LYS A 102 -21.641 -10.761 -4.992 1.00 0.00 N ATOM 1641 CA LYS A 102 -22.017 -11.035 -3.592 1.00 0.00 C ATOM 1642 C LYS A 102 -22.163 -9.755 -2.726 1.00 0.00 C ATOM 1643 O LYS A 102 -22.855 -9.771 -1.707 1.00 0.00 O ATOM 1644 CB LYS A 102 -20.981 -12.031 -3.028 1.00 0.00 C ATOM 1645 CG LYS A 102 -21.378 -12.627 -1.665 1.00 0.00 C ATOM 1646 CD LYS A 102 -20.366 -13.661 -1.143 1.00 0.00 C ATOM 1647 CE LYS A 102 -20.320 -14.926 -2.012 1.00 0.00 C ATOM 1648 NZ LYS A 102 -19.392 -15.944 -1.452 1.00 0.00 N ATOM 0 H LYS A 102 -20.778 -11.232 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 102 -23.015 -11.473 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -20.842 -12.842 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -20.020 -11.526 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.474 -11.822 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -22.357 -13.097 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.374 -13.210 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.626 -13.935 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.321 -15.350 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.005 -14.663 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -19.387 -16.784 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.432 -15.547 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.707 -16.214 -0.498 1.00 0.00 H new ATOM 1662 N GLY A 103 -21.597 -8.625 -3.175 1.00 0.00 N ATOM 1663 CA GLY A 103 -21.737 -7.293 -2.566 1.00 0.00 C ATOM 1664 C GLY A 103 -23.089 -6.602 -2.785 1.00 0.00 C ATOM 1665 O GLY A 103 -23.334 -5.565 -2.167 1.00 0.00 O ATOM 0 H GLY A 103 -21.005 -8.613 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -21.565 -7.384 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -20.952 -6.648 -2.961 1.00 0.00 H new ATOM 1669 N VAL A 104 -23.962 -7.151 -3.637 1.00 0.00 N ATOM 1670 CA VAL A 104 -25.330 -6.645 -3.886 1.00 0.00 C ATOM 1671 C VAL A 104 -26.127 -6.477 -2.579 1.00 0.00 C ATOM 1672 O VAL A 104 -26.069 -7.320 -1.685 1.00 0.00 O ATOM 1673 CB VAL A 104 -26.086 -7.527 -4.912 1.00 0.00 C ATOM 1674 CG1 VAL A 104 -26.455 -8.926 -4.385 1.00 0.00 C ATOM 1675 CG2 VAL A 104 -27.352 -6.826 -5.433 1.00 0.00 C ATOM 0 H VAL A 104 -23.738 -7.979 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 104 -25.230 -5.652 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 104 -25.380 -7.670 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -26.981 -9.480 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -25.547 -9.462 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -27.098 -8.827 -3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -27.857 -7.473 -6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -28.022 -6.617 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -27.076 -5.891 -5.920 1.00 0.00 H new ATOM 1685 N SER A 105 -26.861 -5.366 -2.467 1.00 0.00 N ATOM 1686 CA SER A 105 -27.567 -4.933 -1.248 1.00 0.00 C ATOM 1687 C SER A 105 -28.905 -4.241 -1.573 1.00 0.00 C ATOM 1688 O SER A 105 -29.128 -3.777 -2.697 1.00 0.00 O ATOM 1689 CB SER A 105 -26.676 -3.969 -0.437 1.00 0.00 C ATOM 1690 OG SER A 105 -25.486 -4.589 0.036 1.00 0.00 O ATOM 0 H SER A 105 -26.987 -4.719 -3.245 1.00 0.00 H new ATOM 0 HA SER A 105 -27.783 -5.826 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 105 -26.413 -3.114 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 105 -27.242 -3.584 0.411 1.00 0.00 H new ATOM 0 HG SER A 105 -24.915 -4.824 -0.725 1.00 0.00 H new ATOM 1696 N GLY A 106 -29.807 -4.164 -0.581 1.00 0.00 N ATOM 1697 CA GLY A 106 -31.136 -3.545 -0.713 1.00 0.00 C ATOM 1698 C GLY A 106 -31.120 -2.004 -0.707 1.00 0.00 C ATOM 1699 O GLY A 106 -30.063 -1.397 -0.492 1.00 0.00 O ATOM 0 H GLY A 106 -29.630 -4.537 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -31.594 -3.889 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -31.769 -3.894 0.103 1.00 0.00 H new ATOM 1703 N PRO A 107 -32.288 -1.360 -0.919 1.00 0.00 N ATOM 1704 CA PRO A 107 -32.417 0.094 -1.057 1.00 0.00 C ATOM 1705 C PRO A 107 -32.327 0.867 0.272 1.00 0.00 C ATOM 1706 O PRO A 107 -32.313 2.096 0.257 1.00 0.00 O ATOM 1707 CB PRO A 107 -33.776 0.300 -1.735 1.00 0.00 C ATOM 1708 CG PRO A 107 -34.603 -0.870 -1.207 1.00 0.00 C ATOM 1709 CD PRO A 107 -33.577 -2.001 -1.147 1.00 0.00 C ATOM 0 HA PRO A 107 -31.584 0.494 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -34.219 1.260 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -33.693 0.278 -2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -35.029 -0.656 -0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -35.434 -1.111 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -33.813 -2.700 -0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -33.570 -2.572 -2.075 1.00 0.00 H new ATOM 1717 N SER A 108 -32.241 0.184 1.419 1.00 0.00 N ATOM 1718 CA SER A 108 -32.210 0.786 2.766 1.00 0.00 C ATOM 1719 C SER A 108 -30.960 1.647 3.063 1.00 0.00 C ATOM 1720 O SER A 108 -30.882 2.299 4.106 1.00 0.00 O ATOM 1721 CB SER A 108 -32.325 -0.327 3.824 1.00 0.00 C ATOM 1722 OG SER A 108 -33.413 -1.207 3.551 1.00 0.00 O ATOM 0 H SER A 108 -32.189 -0.834 1.441 1.00 0.00 H new ATOM 0 HA SER A 108 -33.058 1.469 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 108 -31.396 -0.896 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 108 -32.458 0.120 4.809 1.00 0.00 H new ATOM 0 HG SER A 108 -33.454 -1.901 4.242 1.00 0.00 H new ATOM 1728 N SER A 109 -29.980 1.679 2.156 1.00 0.00 N ATOM 1729 CA SER A 109 -28.785 2.535 2.224 1.00 0.00 C ATOM 1730 C SER A 109 -29.028 3.994 1.773 1.00 0.00 C ATOM 1731 O SER A 109 -28.158 4.851 1.973 1.00 0.00 O ATOM 1732 CB SER A 109 -27.665 1.895 1.387 1.00 0.00 C ATOM 1733 OG SER A 109 -28.078 1.677 0.040 1.00 0.00 O ATOM 0 H SER A 109 -29.994 1.090 1.323 1.00 0.00 H new ATOM 0 HA SER A 109 -28.498 2.600 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.786 2.540 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 109 -27.370 0.947 1.836 1.00 0.00 H new ATOM 0 HG SER A 109 -27.343 1.271 -0.466 1.00 0.00 H new ATOM 1739 N GLY A 110 -30.200 4.303 1.195 1.00 0.00 N ATOM 1740 CA GLY A 110 -30.589 5.648 0.742 1.00 0.00 C ATOM 1741 C GLY A 110 -32.020 5.717 0.208 1.00 0.00 C ATOM 1742 O GLY A 110 -32.957 5.803 1.032 1.00 0.00 O ATOM 1743 OXT GLY A 110 -32.193 5.710 -1.031 1.00 0.00 O ATOM 0 H GLY A 110 -30.923 3.604 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -30.484 6.347 1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -29.901 5.974 -0.039 1.00 0.00 H new TER 1747 GLY A 110 HETATM 1748 PG ATP A 201 14.432 -17.338 1.866 1.00 0.00 P HETATM 1749 O1G ATP A 201 13.766 -18.488 2.522 1.00 0.00 O HETATM 1750 O2G ATP A 201 14.471 -17.430 0.390 1.00 0.00 O HETATM 1751 O3G ATP A 201 15.743 -17.006 2.472 1.00 0.00 O HETATM 1752 PB ATP A 201 12.555 -15.173 1.502 1.00 0.00 P HETATM 1753 O1B ATP A 201 11.448 -15.973 0.903 1.00 0.00 O HETATM 1754 O2B ATP A 201 13.311 -14.243 0.618 1.00 0.00 O HETATM 1755 O3B ATP A 201 13.542 -16.128 2.235 1.00 0.00 O HETATM 1756 PA ATP A 201 12.268 -12.948 3.133 1.00 0.00 P HETATM 1757 O1A ATP A 201 11.947 -11.987 2.053 1.00 0.00 O HETATM 1758 O2A ATP A 201 13.618 -12.929 3.749 1.00 0.00 O HETATM 1759 O3A ATP A 201 11.910 -14.379 2.675 1.00 0.00 O HETATM 1760 O5' ATP A 201 11.197 -12.672 4.295 1.00 0.00 O HETATM 1761 C5' ATP A 201 11.175 -13.436 5.494 1.00 0.00 C HETATM 1762 C4' ATP A 201 9.743 -13.799 5.928 1.00 0.00 C HETATM 1763 O4' ATP A 201 8.967 -12.620 6.145 1.00 0.00 O HETATM 1764 C3' ATP A 201 9.014 -14.657 4.882 1.00 0.00 C HETATM 1765 O3' ATP A 201 8.152 -15.594 5.528 1.00 0.00 O HETATM 1766 C2' ATP A 201 8.217 -13.604 4.106 1.00 0.00 C HETATM 1767 O2' ATP A 201 7.052 -14.136 3.472 1.00 0.00 O HETATM 1768 C1' ATP A 201 7.887 -12.606 5.220 1.00 0.00 C HETATM 1769 N9 ATP A 201 7.645 -11.241 4.701 1.00 0.00 N HETATM 1770 C8 ATP A 201 8.463 -10.446 3.932 1.00 0.00 C HETATM 1771 N7 ATP A 201 7.913 -9.325 3.540 1.00 0.00 N HETATM 1772 C5 ATP A 201 6.642 -9.371 4.139 1.00 0.00 C HETATM 1773 C6 ATP A 201 5.511 -8.514 4.181 1.00 0.00 C HETATM 1774 N6 ATP A 201 5.416 -7.338 3.606 1.00 0.00 N HETATM 1775 N1 ATP A 201 4.431 -8.815 4.900 1.00 0.00 N HETATM 1776 C2 ATP A 201 4.442 -9.957 5.566 1.00 0.00 C HETATM 1777 N3 ATP A 201 5.399 -10.879 5.608 1.00 0.00 N HETATM 1778 C4 ATP A 201 6.482 -10.524 4.861 1.00 0.00 C HETATM 0 HO3' ATP A 201 7.252 -15.528 5.146 1.00 0.00 H new HETATM 0 HO2' ATP A 201 6.584 -13.420 2.995 1.00 0.00 H new HETATM 0 HN62 ATP A 201 4.557 -6.795 3.694 1.00 0.00 H new HETATM 0 HN61 ATP A 201 6.201 -6.967 3.071 1.00 0.00 H new HETATM 0 H5'2 ATP A 201 11.752 -14.350 5.351 1.00 0.00 H new HETATM 0 H5'1 ATP A 201 11.662 -12.873 6.290 1.00 0.00 H new HETATM 0 H8 ATP A 201 9.484 -10.726 3.671 1.00 0.00 H new HETATM 0 H4' ATP A 201 9.843 -14.371 6.850 1.00 0.00 H new HETATM 0 H3' ATP A 201 9.671 -15.253 4.249 1.00 0.00 H new HETATM 0 H2' ATP A 201 8.759 -13.170 3.266 1.00 0.00 H new HETATM 0 H2 ATP A 201 3.551 -10.170 6.157 1.00 0.00 H new HETATM 0 H1' ATP A 201 6.959 -12.904 5.709 1.00 0.00 H new