USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=28 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+ -122:sc= 0.0509 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.114 USER MOD Set 2.1: A 43 TYR OH : rot 89:sc= 0.0484 USER MOD Set 2.2: A 64 MET CE :methyl -151:sc= -0.0587 (180deg=-1.08) USER MOD Set 2.3: A 80 GLN : amide:sc= 1.84 K(o=1.8,f=-5.3!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00748 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -58:sc= 0.0194 USER MOD Single : A 6 SER OG : rot 27:sc= 0.86 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 140:sc= -0.0941 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= 1.12 K(o=1.1,f=0) USER MOD Single : A 30 TYR OH : rot -178:sc= 1.21 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= 0.536 K(o=0.54,f=-4.5!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -71:sc= 0.664 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 71 TYR OH : rot -177:sc= 0.306 USER MOD Single : A 77 ASN : amide:sc= 0.743 K(o=0.74,f=0) USER MOD Single : A 78 MET CE :methyl 176:sc= -0.178 (180deg=-0.21) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.55) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= 1.04 (180deg=0.475) USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.8) 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 180:sc= 0 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 129:sc= 0.0517 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 22.667 13.623 -3.154 1.00 0.00 N ATOM 2 CA PRO A 1 21.547 14.262 -2.427 1.00 0.00 C ATOM 3 C PRO A 1 20.601 13.252 -1.756 1.00 0.00 C ATOM 4 O PRO A 1 20.547 12.089 -2.151 1.00 0.00 O ATOM 5 CB PRO A 1 20.835 15.158 -3.452 1.00 0.00 C ATOM 6 CG PRO A 1 21.929 15.509 -4.475 1.00 0.00 C ATOM 7 CD PRO A 1 23.157 14.723 -4.011 1.00 0.00 C ATOM 0 H2 PRO A 1 22.356 12.822 -3.704 1.00 0.00 H new ATOM 0 H3 PRO A 1 23.390 13.285 -2.518 1.00 0.00 H new ATOM 0 HA PRO A 1 21.921 14.849 -1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 1 20.001 14.638 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 1 20.427 16.053 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 1 21.634 15.224 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 1 22.127 16.581 -4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 1 23.709 14.330 -4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 1 23.841 15.367 -3.458 1.00 0.00 H new ATOM 15 N SER A 2 19.832 13.694 -0.756 1.00 0.00 N ATOM 16 CA SER A 2 18.867 12.858 -0.015 1.00 0.00 C ATOM 17 C SER A 2 17.504 12.690 -0.722 1.00 0.00 C ATOM 18 O SER A 2 16.703 11.837 -0.336 1.00 0.00 O ATOM 19 CB SER A 2 18.678 13.443 1.394 1.00 0.00 C ATOM 20 OG SER A 2 18.359 14.831 1.345 1.00 0.00 O ATOM 0 H SER A 2 19.859 14.660 -0.429 1.00 0.00 H new ATOM 0 HA SER A 2 19.288 11.854 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.883 12.904 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.589 13.298 1.974 1.00 0.00 H new ATOM 0 HG SER A 2 18.243 15.172 2.256 1.00 0.00 H new ATOM 26 N SER A 3 17.245 13.454 -1.789 1.00 0.00 N ATOM 27 CA SER A 3 16.020 13.389 -2.607 1.00 0.00 C ATOM 28 C SER A 3 16.193 14.055 -3.984 1.00 0.00 C ATOM 29 O SER A 3 15.827 13.468 -5.006 1.00 0.00 O ATOM 30 CB SER A 3 14.829 14.025 -1.860 1.00 0.00 C ATOM 31 OG SER A 3 15.059 15.396 -1.549 1.00 0.00 O ATOM 0 H SER A 3 17.902 14.160 -2.121 1.00 0.00 H new ATOM 0 HA SER A 3 15.816 12.332 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.931 13.939 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.642 13.472 -0.940 1.00 0.00 H new ATOM 0 HG SER A 3 14.280 15.760 -1.078 1.00 0.00 H new ATOM 37 N GLY A 4 16.767 15.268 -4.028 1.00 0.00 N ATOM 38 CA GLY A 4 17.061 16.012 -5.263 1.00 0.00 C ATOM 39 C GLY A 4 15.822 16.548 -5.993 1.00 0.00 C ATOM 40 O GLY A 4 15.930 16.992 -7.136 1.00 0.00 O ATOM 0 H GLY A 4 17.046 15.770 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.715 16.850 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.614 15.362 -5.941 1.00 0.00 H new ATOM 44 N SER A 5 14.647 16.494 -5.363 1.00 0.00 N ATOM 45 CA SER A 5 13.332 16.757 -5.971 1.00 0.00 C ATOM 46 C SER A 5 12.227 16.899 -4.903 1.00 0.00 C ATOM 47 O SER A 5 12.438 16.602 -3.724 1.00 0.00 O ATOM 48 CB SER A 5 12.981 15.644 -6.982 1.00 0.00 C ATOM 49 OG SER A 5 12.966 14.349 -6.391 1.00 0.00 O ATOM 0 H SER A 5 14.578 16.256 -4.374 1.00 0.00 H new ATOM 0 HA SER A 5 13.391 17.708 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.004 15.851 -7.419 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.704 15.658 -7.797 1.00 0.00 H new ATOM 0 HG SER A 5 13.840 14.163 -5.989 1.00 0.00 H new ATOM 55 N SER A 6 11.035 17.364 -5.298 1.00 0.00 N ATOM 56 CA SER A 6 9.853 17.575 -4.439 1.00 0.00 C ATOM 57 C SER A 6 8.572 17.711 -5.285 1.00 0.00 C ATOM 58 O SER A 6 8.636 18.001 -6.486 1.00 0.00 O ATOM 59 CB SER A 6 10.031 18.833 -3.564 1.00 0.00 C ATOM 60 OG SER A 6 10.929 18.614 -2.485 1.00 0.00 O ATOM 0 H SER A 6 10.856 17.616 -6.270 1.00 0.00 H new ATOM 0 HA SER A 6 9.756 16.703 -3.793 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.400 19.653 -4.180 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.062 19.140 -3.171 1.00 0.00 H new ATOM 0 HG SER A 6 11.568 17.912 -2.728 1.00 0.00 H new ATOM 66 N GLY A 7 7.402 17.508 -4.662 1.00 0.00 N ATOM 67 CA GLY A 7 6.084 17.557 -5.316 1.00 0.00 C ATOM 68 C GLY A 7 5.608 16.197 -5.840 1.00 0.00 C ATOM 69 O GLY A 7 6.211 15.155 -5.562 1.00 0.00 O ATOM 0 H GLY A 7 7.343 17.300 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.350 17.941 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.125 18.262 -6.146 1.00 0.00 H new ATOM 73 N PHE A 8 4.495 16.212 -6.579 1.00 0.00 N ATOM 74 CA PHE A 8 3.836 15.013 -7.111 1.00 0.00 C ATOM 75 C PHE A 8 4.586 14.404 -8.312 1.00 0.00 C ATOM 76 O PHE A 8 5.280 15.103 -9.057 1.00 0.00 O ATOM 77 CB PHE A 8 2.384 15.355 -7.482 1.00 0.00 C ATOM 78 CG PHE A 8 1.549 15.878 -6.326 1.00 0.00 C ATOM 79 CD1 PHE A 8 1.084 14.990 -5.336 1.00 0.00 C ATOM 80 CD2 PHE A 8 1.241 17.249 -6.231 1.00 0.00 C ATOM 81 CE1 PHE A 8 0.321 15.470 -4.257 1.00 0.00 C ATOM 82 CE2 PHE A 8 0.477 17.729 -5.152 1.00 0.00 C ATOM 83 CZ PHE A 8 0.018 16.841 -4.165 1.00 0.00 C ATOM 0 H PHE A 8 4.016 17.077 -6.830 1.00 0.00 H new ATOM 0 HA PHE A 8 3.847 14.251 -6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.391 16.101 -8.277 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.905 14.463 -7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.314 13.937 -5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.592 17.934 -6.989 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.032 14.787 -3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.243 18.781 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.567 17.210 -3.336 1.00 0.00 H new ATOM 93 N LEU A 9 4.408 13.093 -8.511 1.00 0.00 N ATOM 94 CA LEU A 9 5.042 12.281 -9.557 1.00 0.00 C ATOM 95 C LEU A 9 4.202 11.019 -9.825 1.00 0.00 C ATOM 96 O LEU A 9 3.639 10.432 -8.898 1.00 0.00 O ATOM 97 CB LEU A 9 6.474 11.936 -9.094 1.00 0.00 C ATOM 98 CG LEU A 9 7.315 11.104 -10.087 1.00 0.00 C ATOM 99 CD1 LEU A 9 7.538 11.837 -11.420 1.00 0.00 C ATOM 100 CD2 LEU A 9 8.674 10.778 -9.455 1.00 0.00 C ATOM 0 H LEU A 9 3.787 12.542 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 9 5.098 12.830 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.004 12.866 -8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.410 11.390 -8.153 1.00 0.00 H new ATOM 0 HG LEU A 9 6.761 10.190 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.134 11.211 -12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.575 12.046 -11.886 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.063 12.774 -11.236 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.269 10.191 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.198 11.705 -9.221 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.522 10.207 -8.539 1.00 0.00 H new ATOM 112 N ASP A 10 4.133 10.591 -11.087 1.00 0.00 N ATOM 113 CA ASP A 10 3.330 9.457 -11.563 1.00 0.00 C ATOM 114 C ASP A 10 4.056 8.686 -12.675 1.00 0.00 C ATOM 115 O ASP A 10 4.717 9.268 -13.539 1.00 0.00 O ATOM 116 CB ASP A 10 1.971 9.956 -12.078 1.00 0.00 C ATOM 117 CG ASP A 10 1.044 10.457 -10.957 1.00 0.00 C ATOM 118 OD1 ASP A 10 0.427 9.607 -10.271 1.00 0.00 O ATOM 119 OD2 ASP A 10 0.904 11.692 -10.795 1.00 0.00 O ATOM 0 H ASP A 10 4.656 11.042 -11.838 1.00 0.00 H new ATOM 0 HA ASP A 10 3.176 8.778 -10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.135 10.763 -12.793 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.475 9.148 -12.617 1.00 0.00 H new ATOM 124 N LYS A 11 3.920 7.357 -12.653 1.00 0.00 N ATOM 125 CA LYS A 11 4.489 6.437 -13.643 1.00 0.00 C ATOM 126 C LYS A 11 3.714 6.420 -14.985 1.00 0.00 C ATOM 127 O LYS A 11 2.533 6.798 -15.025 1.00 0.00 O ATOM 128 CB LYS A 11 4.566 5.041 -12.988 1.00 0.00 C ATOM 129 CG LYS A 11 5.811 4.902 -12.087 1.00 0.00 C ATOM 130 CD LYS A 11 6.619 3.643 -12.438 1.00 0.00 C ATOM 131 CE LYS A 11 7.802 3.412 -11.485 1.00 0.00 C ATOM 132 NZ LYS A 11 8.877 4.428 -11.641 1.00 0.00 N ATOM 0 H LYS A 11 3.394 6.876 -11.923 1.00 0.00 H new ATOM 0 HA LYS A 11 5.486 6.779 -13.921 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.667 4.866 -12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.591 4.276 -13.764 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.442 5.784 -12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.503 4.859 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.961 2.775 -12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.992 3.728 -13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.442 3.426 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.218 2.420 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.648 4.223 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.244 4.399 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.492 5.374 -11.444 1.00 0.00 H new ATOM 146 N PRO A 12 4.367 5.987 -16.086 1.00 0.00 N ATOM 147 CA PRO A 12 3.788 5.973 -17.426 1.00 0.00 C ATOM 148 C PRO A 12 2.757 4.852 -17.610 1.00 0.00 C ATOM 149 O PRO A 12 2.581 3.981 -16.756 1.00 0.00 O ATOM 150 CB PRO A 12 4.973 5.814 -18.383 1.00 0.00 C ATOM 151 CG PRO A 12 5.971 5.004 -17.562 1.00 0.00 C ATOM 152 CD PRO A 12 5.743 5.498 -16.133 1.00 0.00 C ATOM 0 HA PRO A 12 3.233 6.891 -17.619 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.686 5.294 -19.297 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.384 6.779 -18.680 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.788 3.933 -17.650 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.996 5.180 -17.889 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.895 4.693 -15.414 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.447 6.290 -15.878 1.00 0.00 H new ATOM 160 N THR A 13 2.084 4.905 -18.764 1.00 0.00 N ATOM 161 CA THR A 13 0.936 4.081 -19.162 1.00 0.00 C ATOM 162 C THR A 13 0.624 4.289 -20.643 1.00 0.00 C ATOM 163 O THR A 13 1.151 5.200 -21.288 1.00 0.00 O ATOM 164 CB THR A 13 -0.274 4.380 -18.262 1.00 0.00 C ATOM 165 OG1 THR A 13 -1.303 3.456 -18.550 1.00 0.00 O ATOM 166 CG2 THR A 13 -0.804 5.800 -18.454 1.00 0.00 C ATOM 0 H THR A 13 2.343 5.569 -19.494 1.00 0.00 H new ATOM 0 HA THR A 13 1.183 3.028 -19.029 1.00 0.00 H new ATOM 0 HB THR A 13 0.052 4.288 -17.226 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.736 3.178 -17.716 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.658 5.962 -17.796 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.019 6.517 -18.213 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.113 5.936 -19.490 1.00 0.00 H new ATOM 174 N LEU A 14 -0.242 3.429 -21.174 1.00 0.00 N ATOM 175 CA LEU A 14 -0.721 3.426 -22.558 1.00 0.00 C ATOM 176 C LEU A 14 -2.090 4.117 -22.679 1.00 0.00 C ATOM 177 O LEU A 14 -2.500 4.493 -23.780 1.00 0.00 O ATOM 178 CB LEU A 14 -0.828 1.959 -23.002 1.00 0.00 C ATOM 179 CG LEU A 14 0.506 1.180 -22.913 1.00 0.00 C ATOM 180 CD1 LEU A 14 0.209 -0.244 -22.437 1.00 0.00 C ATOM 181 CD2 LEU A 14 1.238 1.175 -24.262 1.00 0.00 C ATOM 0 H LEU A 14 -0.651 2.675 -20.623 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.027 3.978 -23.191 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.573 1.456 -22.386 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.189 1.926 -24.030 1.00 0.00 H new ATOM 0 HG LEU A 14 1.167 1.671 -22.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.140 -0.807 -22.369 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.266 -0.208 -21.456 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.459 -0.733 -23.146 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.171 0.620 -24.167 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.609 0.701 -25.016 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.454 2.200 -24.562 1.00 0.00 H new ATOM 193 N LEU A 15 -2.796 4.262 -21.551 1.00 0.00 N ATOM 194 CA LEU A 15 -4.155 4.810 -21.476 1.00 0.00 C ATOM 195 C LEU A 15 -4.185 6.348 -21.438 1.00 0.00 C ATOM 196 O LEU A 15 -3.166 7.037 -21.501 1.00 0.00 O ATOM 197 CB LEU A 15 -4.909 4.223 -20.262 1.00 0.00 C ATOM 198 CG LEU A 15 -4.819 2.696 -20.051 1.00 0.00 C ATOM 199 CD1 LEU A 15 -5.741 2.300 -18.890 1.00 0.00 C ATOM 200 CD2 LEU A 15 -5.192 1.898 -21.309 1.00 0.00 C ATOM 0 H LEU A 15 -2.426 3.993 -20.639 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.661 4.512 -22.394 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.535 4.712 -19.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.962 4.490 -20.356 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.781 2.453 -19.822 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.685 1.223 -18.732 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.426 2.816 -17.983 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.767 2.579 -19.129 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.110 0.831 -21.101 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.216 2.134 -21.599 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.515 2.162 -22.121 1.00 0.00 H new ATOM 212 N SER A 16 -5.396 6.880 -21.303 1.00 0.00 N ATOM 213 CA SER A 16 -5.731 8.298 -21.255 1.00 0.00 C ATOM 214 C SER A 16 -5.985 8.786 -19.813 1.00 0.00 C ATOM 215 O SER A 16 -6.361 7.987 -18.947 1.00 0.00 O ATOM 216 CB SER A 16 -6.995 8.479 -22.097 1.00 0.00 C ATOM 217 OG SER A 16 -6.692 8.517 -23.485 1.00 0.00 O ATOM 0 H SER A 16 -6.225 6.291 -21.219 1.00 0.00 H new ATOM 0 HA SER A 16 -4.898 8.887 -21.639 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.688 7.662 -21.896 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.498 9.402 -21.807 1.00 0.00 H new ATOM 0 HG SER A 16 -7.519 8.632 -23.997 1.00 0.00 H new ATOM 223 N PRO A 17 -5.870 10.103 -19.554 1.00 0.00 N ATOM 224 CA PRO A 17 -6.081 10.705 -18.236 1.00 0.00 C ATOM 225 C PRO A 17 -7.505 10.503 -17.698 1.00 0.00 C ATOM 226 O PRO A 17 -7.702 10.505 -16.486 1.00 0.00 O ATOM 227 CB PRO A 17 -5.741 12.191 -18.409 1.00 0.00 C ATOM 228 CG PRO A 17 -6.016 12.449 -19.890 1.00 0.00 C ATOM 229 CD PRO A 17 -5.603 11.137 -20.543 1.00 0.00 C ATOM 0 HA PRO A 17 -5.448 10.225 -17.489 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.359 12.821 -17.770 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.702 12.398 -18.152 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.066 12.679 -20.072 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.435 13.290 -20.269 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.169 10.960 -21.457 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.549 11.152 -20.819 1.00 0.00 H new ATOM 237 N GLU A 18 -8.482 10.274 -18.581 1.00 0.00 N ATOM 238 CA GLU A 18 -9.877 9.985 -18.223 1.00 0.00 C ATOM 239 C GLU A 18 -10.164 8.487 -17.984 1.00 0.00 C ATOM 240 O GLU A 18 -11.218 8.153 -17.448 1.00 0.00 O ATOM 241 CB GLU A 18 -10.828 10.593 -19.269 1.00 0.00 C ATOM 242 CG GLU A 18 -10.661 10.015 -20.683 1.00 0.00 C ATOM 243 CD GLU A 18 -11.648 10.673 -21.659 1.00 0.00 C ATOM 244 OE1 GLU A 18 -12.791 10.176 -21.803 1.00 0.00 O ATOM 245 OE2 GLU A 18 -11.287 11.691 -22.296 1.00 0.00 O ATOM 0 H GLU A 18 -8.323 10.284 -19.588 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.060 10.460 -17.259 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.856 10.436 -18.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.667 11.670 -19.308 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.640 10.175 -21.028 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.826 8.938 -20.663 1.00 0.00 H new ATOM 252 N GLU A 19 -9.240 7.584 -18.338 1.00 0.00 N ATOM 253 CA GLU A 19 -9.345 6.141 -18.091 1.00 0.00 C ATOM 254 C GLU A 19 -8.813 5.779 -16.701 1.00 0.00 C ATOM 255 O GLU A 19 -9.480 5.111 -15.912 1.00 0.00 O ATOM 256 CB GLU A 19 -8.521 5.368 -19.129 1.00 0.00 C ATOM 257 CG GLU A 19 -9.171 5.263 -20.508 1.00 0.00 C ATOM 258 CD GLU A 19 -10.432 4.383 -20.500 1.00 0.00 C ATOM 259 OE1 GLU A 19 -10.308 3.141 -20.377 1.00 0.00 O ATOM 260 OE2 GLU A 19 -11.554 4.924 -20.640 1.00 0.00 O ATOM 0 H GLU A 19 -8.377 7.844 -18.816 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.399 5.873 -18.160 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.550 5.851 -19.236 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.337 4.362 -18.751 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.431 6.261 -20.860 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.450 4.853 -21.215 1.00 0.00 H new ATOM 267 N LEU A 20 -7.596 6.240 -16.408 1.00 0.00 N ATOM 268 CA LEU A 20 -6.842 5.964 -15.179 1.00 0.00 C ATOM 269 C LEU A 20 -7.597 6.484 -13.954 1.00 0.00 C ATOM 270 O LEU A 20 -7.790 5.768 -12.969 1.00 0.00 O ATOM 271 CB LEU A 20 -5.474 6.663 -15.283 1.00 0.00 C ATOM 272 CG LEU A 20 -4.647 6.288 -16.532 1.00 0.00 C ATOM 273 CD1 LEU A 20 -3.792 7.496 -16.925 1.00 0.00 C ATOM 274 CD2 LEU A 20 -3.797 5.035 -16.294 1.00 0.00 C ATOM 0 H LEU A 20 -7.083 6.845 -17.050 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.712 4.888 -15.065 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.632 7.741 -15.280 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.891 6.424 -14.394 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.318 6.039 -17.354 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.199 7.251 -17.806 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.440 8.344 -17.148 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.127 7.754 -16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.230 4.803 -17.196 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.109 5.214 -15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.447 4.195 -16.049 1.00 0.00 H new ATOM 286 N LYS A 21 -8.080 7.725 -14.047 1.00 0.00 N ATOM 287 CA LYS A 21 -8.940 8.329 -13.020 1.00 0.00 C ATOM 288 C LYS A 21 -10.275 7.574 -12.864 1.00 0.00 C ATOM 289 O LYS A 21 -10.714 7.356 -11.735 1.00 0.00 O ATOM 290 CB LYS A 21 -9.158 9.823 -13.331 1.00 0.00 C ATOM 291 CG LYS A 21 -8.064 10.758 -12.777 1.00 0.00 C ATOM 292 CD LYS A 21 -6.621 10.359 -13.134 1.00 0.00 C ATOM 293 CE LYS A 21 -5.610 11.479 -12.844 1.00 0.00 C ATOM 294 NZ LYS A 21 -5.464 11.762 -11.391 1.00 0.00 N ATOM 0 H LYS A 21 -7.887 8.342 -14.836 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.433 8.247 -12.059 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.215 9.952 -14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.121 10.129 -12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.248 11.766 -13.148 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.156 10.796 -11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.344 9.469 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.572 10.094 -14.190 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.639 11.201 -13.255 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.925 12.388 -13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.771 12.525 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.382 12.055 -11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.137 10.905 -10.902 1.00 0.00 H new ATOM 308 N ALA A 22 -10.889 7.103 -13.958 1.00 0.00 N ATOM 309 CA ALA A 22 -12.156 6.356 -13.911 1.00 0.00 C ATOM 310 C ALA A 22 -12.005 4.950 -13.302 1.00 0.00 C ATOM 311 O ALA A 22 -12.883 4.516 -12.556 1.00 0.00 O ATOM 312 CB ALA A 22 -12.763 6.301 -15.319 1.00 0.00 C ATOM 0 H ALA A 22 -10.522 7.229 -14.901 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.834 6.888 -13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.702 5.748 -15.289 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.949 7.314 -15.675 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.069 5.801 -15.995 1.00 0.00 H new ATOM 318 N ALA A 23 -10.876 4.273 -13.540 1.00 0.00 N ATOM 319 CA ALA A 23 -10.544 2.982 -12.925 1.00 0.00 C ATOM 320 C ALA A 23 -10.457 3.050 -11.390 1.00 0.00 C ATOM 321 O ALA A 23 -10.737 2.068 -10.704 1.00 0.00 O ATOM 322 CB ALA A 23 -9.210 2.502 -13.508 1.00 0.00 C ATOM 0 H ALA A 23 -10.155 4.612 -14.176 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.348 2.282 -13.152 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.943 1.543 -13.064 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.305 2.389 -14.588 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.432 3.233 -13.287 1.00 0.00 H new ATOM 328 N SER A 24 -10.088 4.213 -10.851 1.00 0.00 N ATOM 329 CA SER A 24 -10.007 4.458 -9.410 1.00 0.00 C ATOM 330 C SER A 24 -11.341 4.966 -8.841 1.00 0.00 C ATOM 331 O SER A 24 -11.966 4.305 -8.007 1.00 0.00 O ATOM 332 CB SER A 24 -8.847 5.428 -9.141 1.00 0.00 C ATOM 333 OG SER A 24 -8.657 5.619 -7.748 1.00 0.00 O ATOM 0 H SER A 24 -9.833 5.025 -11.413 1.00 0.00 H new ATOM 0 HA SER A 24 -9.808 3.520 -8.892 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.932 5.038 -9.587 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.051 6.386 -9.619 1.00 0.00 H new ATOM 0 HG SER A 24 -7.912 6.239 -7.601 1.00 0.00 H new ATOM 339 N ARG A 25 -11.818 6.115 -9.335 1.00 0.00 N ATOM 340 CA ARG A 25 -12.979 6.842 -8.825 1.00 0.00 C ATOM 341 C ARG A 25 -14.334 6.185 -9.139 1.00 0.00 C ATOM 342 O ARG A 25 -15.324 6.482 -8.465 1.00 0.00 O ATOM 343 CB ARG A 25 -12.929 8.267 -9.391 1.00 0.00 C ATOM 344 CG ARG A 25 -11.726 9.108 -8.932 1.00 0.00 C ATOM 345 CD ARG A 25 -11.537 9.190 -7.413 1.00 0.00 C ATOM 346 NE ARG A 25 -12.730 9.731 -6.733 1.00 0.00 N ATOM 347 CZ ARG A 25 -13.098 9.507 -5.477 1.00 0.00 C ATOM 348 NH1 ARG A 25 -12.387 8.760 -4.658 1.00 0.00 N ATOM 349 NH2 ARG A 25 -14.209 10.042 -5.021 1.00 0.00 N ATOM 0 H ARG A 25 -11.386 6.580 -10.133 1.00 0.00 H new ATOM 0 HA ARG A 25 -12.915 6.837 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.918 8.209 -10.479 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.845 8.786 -9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.821 8.692 -9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.837 10.119 -9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.316 8.197 -7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.676 9.820 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.334 10.340 -7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.521 8.330 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.703 8.611 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.782 10.625 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.498 9.874 -4.057 1.00 0.00 H new ATOM 363 N GLY A 26 -14.385 5.266 -10.109 1.00 0.00 N ATOM 364 CA GLY A 26 -15.568 4.448 -10.421 1.00 0.00 C ATOM 365 C GLY A 26 -15.875 3.397 -9.346 1.00 0.00 C ATOM 366 O GLY A 26 -17.013 2.935 -9.257 1.00 0.00 O ATOM 0 H GLY A 26 -13.589 5.064 -10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.433 5.101 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.414 3.947 -11.377 1.00 0.00 H new ATOM 370 N ASN A 27 -14.887 3.053 -8.512 1.00 0.00 N ATOM 371 CA ASN A 27 -15.047 2.234 -7.307 1.00 0.00 C ATOM 372 C ASN A 27 -14.918 3.081 -6.027 1.00 0.00 C ATOM 373 O ASN A 27 -15.882 3.208 -5.270 1.00 0.00 O ATOM 374 CB ASN A 27 -14.040 1.072 -7.343 1.00 0.00 C ATOM 375 CG ASN A 27 -14.654 -0.163 -7.992 1.00 0.00 C ATOM 376 OD1 ASN A 27 -14.604 -0.345 -9.204 1.00 0.00 O ATOM 377 ND2 ASN A 27 -15.278 -1.019 -7.205 1.00 0.00 N ATOM 0 H ASN A 27 -13.922 3.347 -8.663 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.053 1.815 -7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.151 1.374 -7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.719 0.833 -6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -15.726 -1.844 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.312 -0.855 -6.199 1.00 0.00 H new ATOM 384 N GLY A 28 -13.733 3.659 -5.780 1.00 0.00 N ATOM 385 CA GLY A 28 -13.407 4.399 -4.546 1.00 0.00 C ATOM 386 C GLY A 28 -12.803 3.507 -3.451 1.00 0.00 C ATOM 387 O GLY A 28 -12.482 3.987 -2.363 1.00 0.00 O ATOM 0 H GLY A 28 -12.958 3.626 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.705 5.198 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.311 4.872 -4.163 1.00 0.00 H new ATOM 391 N GLU A 29 -12.642 2.219 -3.755 1.00 0.00 N ATOM 392 CA GLU A 29 -11.901 1.223 -2.986 1.00 0.00 C ATOM 393 C GLU A 29 -10.387 1.485 -3.003 1.00 0.00 C ATOM 394 O GLU A 29 -9.919 2.373 -3.706 1.00 0.00 O ATOM 395 CB GLU A 29 -12.185 -0.153 -3.602 1.00 0.00 C ATOM 396 CG GLU A 29 -13.345 -0.872 -2.906 1.00 0.00 C ATOM 397 CD GLU A 29 -14.706 -0.227 -3.216 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.152 -0.294 -4.386 1.00 0.00 O ATOM 399 OE2 GLU A 29 -15.333 0.337 -2.288 1.00 0.00 O ATOM 0 H GLU A 29 -13.052 1.820 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.225 1.272 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.417 -0.034 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.288 -0.769 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.361 -1.916 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.179 -0.864 -1.829 1.00 0.00 H new ATOM 406 N TYR A 30 -9.622 0.680 -2.250 1.00 0.00 N ATOM 407 CA TYR A 30 -8.156 0.735 -2.151 1.00 0.00 C ATOM 408 C TYR A 30 -7.565 -0.446 -1.353 1.00 0.00 C ATOM 409 O TYR A 30 -8.198 -0.969 -0.432 1.00 0.00 O ATOM 410 CB TYR A 30 -7.694 2.063 -1.531 1.00 0.00 C ATOM 411 CG TYR A 30 -8.102 2.238 -0.080 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.443 2.522 0.250 1.00 0.00 C ATOM 413 CD2 TYR A 30 -7.147 2.060 0.940 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.828 2.645 1.599 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.525 2.182 2.289 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.868 2.477 2.623 1.00 0.00 C ATOM 417 OH TYR A 30 -9.246 2.584 3.926 1.00 0.00 O ATOM 0 H TYR A 30 -10.024 -0.057 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.781 0.662 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.608 2.128 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.103 2.887 -2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.176 2.645 -0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.123 1.829 0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.854 2.867 1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.791 2.051 3.070 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.463 2.473 4.504 1.00 0.00 H new ATOM 427 N ALA A 31 -6.332 -0.835 -1.690 1.00 0.00 N ATOM 428 CA ALA A 31 -5.566 -1.893 -1.023 1.00 0.00 C ATOM 429 C ALA A 31 -4.048 -1.704 -1.177 1.00 0.00 C ATOM 430 O ALA A 31 -3.573 -1.169 -2.178 1.00 0.00 O ATOM 431 CB ALA A 31 -6.011 -3.255 -1.577 1.00 0.00 C ATOM 0 H ALA A 31 -5.821 -0.407 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.771 -1.844 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.447 -4.049 -1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.075 -3.395 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.827 -3.289 -2.651 1.00 0.00 H new ATOM 437 N TRP A 32 -3.293 -2.184 -0.187 1.00 0.00 N ATOM 438 CA TRP A 32 -1.828 -2.254 -0.203 1.00 0.00 C ATOM 439 C TRP A 32 -1.341 -3.647 -0.638 1.00 0.00 C ATOM 440 O TRP A 32 -1.929 -4.667 -0.270 1.00 0.00 O ATOM 441 CB TRP A 32 -1.292 -1.914 1.195 1.00 0.00 C ATOM 442 CG TRP A 32 -1.325 -0.467 1.576 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.388 0.207 2.072 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.233 0.499 1.506 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.031 1.517 2.323 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.716 1.756 1.987 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.118 0.437 1.090 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.100 2.893 2.058 1.00 0.00 C ATOM 449 CZ3 TRP A 32 1.930 1.582 1.128 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.425 2.796 1.613 1.00 0.00 C ATOM 0 H TRP A 32 -3.696 -2.547 0.677 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.450 -1.532 -0.927 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.868 -2.476 1.930 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.262 -2.264 1.262 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.367 -0.215 2.245 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.662 2.220 2.709 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.528 -0.499 0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.284 3.824 2.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.951 1.527 0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.064 3.666 1.644 1.00 0.00 H new ATOM 461 N TYR A 33 -0.220 -3.689 -1.363 1.00 0.00 N ATOM 462 CA TYR A 33 0.438 -4.916 -1.837 1.00 0.00 C ATOM 463 C TYR A 33 1.969 -4.853 -1.694 1.00 0.00 C ATOM 464 O TYR A 33 2.563 -3.774 -1.691 1.00 0.00 O ATOM 465 CB TYR A 33 0.076 -5.166 -3.312 1.00 0.00 C ATOM 466 CG TYR A 33 -1.340 -5.624 -3.592 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.396 -4.692 -3.615 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.594 -6.977 -3.890 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.708 -5.114 -3.897 1.00 0.00 C ATOM 470 CE2 TYR A 33 -2.904 -7.406 -4.174 1.00 0.00 C ATOM 471 CZ TYR A 33 -3.969 -6.476 -4.171 1.00 0.00 C ATOM 472 OH TYR A 33 -5.235 -6.892 -4.449 1.00 0.00 O ATOM 0 H TYR A 33 0.273 -2.843 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 33 0.079 -5.735 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.253 -4.245 -3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.762 -5.914 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.198 -3.649 -3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.781 -7.688 -3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.516 -4.397 -3.904 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.096 -8.446 -4.394 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.233 -7.858 -4.614 1.00 0.00 H new ATOM 482 N TYR A 34 2.619 -6.017 -1.639 1.00 0.00 N ATOM 483 CA TYR A 34 4.079 -6.185 -1.610 1.00 0.00 C ATOM 484 C TYR A 34 4.531 -7.356 -2.499 1.00 0.00 C ATOM 485 O TYR A 34 3.794 -8.333 -2.645 1.00 0.00 O ATOM 486 CB TYR A 34 4.560 -6.393 -0.168 1.00 0.00 C ATOM 487 CG TYR A 34 4.146 -7.702 0.491 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.863 -7.840 1.054 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.052 -8.781 0.546 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.477 -9.050 1.662 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.676 -9.994 1.155 1.00 0.00 C ATOM 492 CZ TYR A 34 3.386 -10.131 1.716 1.00 0.00 C ATOM 493 OH TYR A 34 3.028 -11.304 2.310 1.00 0.00 O ATOM 0 H TYR A 34 2.124 -6.908 -1.612 1.00 0.00 H new ATOM 0 HA TYR A 34 4.528 -5.275 -2.008 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.648 -6.332 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.188 -5.569 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.170 -7.012 1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.039 -8.677 0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.489 -9.152 2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.373 -10.818 1.193 1.00 0.00 H new ATOM 0 HH TYR A 34 3.773 -11.939 2.256 1.00 0.00 H new ATOM 503 N GLU A 35 5.729 -7.279 -3.086 1.00 0.00 N ATOM 504 CA GLU A 35 6.316 -8.419 -3.800 1.00 0.00 C ATOM 505 C GLU A 35 6.890 -9.428 -2.795 1.00 0.00 C ATOM 506 O GLU A 35 7.830 -9.116 -2.059 1.00 0.00 O ATOM 507 CB GLU A 35 7.395 -7.984 -4.805 1.00 0.00 C ATOM 508 CG GLU A 35 6.815 -7.204 -5.990 1.00 0.00 C ATOM 509 CD GLU A 35 7.765 -7.243 -7.195 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.750 -6.468 -7.226 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.544 -8.064 -8.117 1.00 0.00 O ATOM 0 H GLU A 35 6.311 -6.441 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 35 5.520 -8.893 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.134 -7.366 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.918 -8.866 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.850 -7.626 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.637 -6.169 -5.696 1.00 0.00 H new ATOM 518 N GLY A 36 6.314 -10.634 -2.768 1.00 0.00 N ATOM 519 CA GLY A 36 6.734 -11.757 -1.921 1.00 0.00 C ATOM 520 C GLY A 36 7.252 -12.948 -2.730 1.00 0.00 C ATOM 521 O GLY A 36 7.977 -12.783 -3.711 1.00 0.00 O ATOM 0 H GLY A 36 5.513 -10.864 -3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.515 -11.420 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.892 -12.079 -1.308 1.00 0.00 H new ATOM 525 N ARG A 37 6.879 -14.161 -2.300 1.00 0.00 N ATOM 526 CA ARG A 37 7.406 -15.452 -2.783 1.00 0.00 C ATOM 527 C ARG A 37 7.331 -15.704 -4.302 1.00 0.00 C ATOM 528 O ARG A 37 8.201 -16.388 -4.844 1.00 0.00 O ATOM 529 CB ARG A 37 6.715 -16.603 -2.024 1.00 0.00 C ATOM 530 CG ARG A 37 5.175 -16.554 -2.065 1.00 0.00 C ATOM 531 CD ARG A 37 4.548 -17.836 -1.506 1.00 0.00 C ATOM 532 NE ARG A 37 3.076 -17.746 -1.503 1.00 0.00 N ATOM 533 CZ ARG A 37 2.255 -17.987 -2.519 1.00 0.00 C ATOM 534 NH1 ARG A 37 2.692 -18.360 -3.706 1.00 0.00 N ATOM 535 NH2 ARG A 37 0.958 -17.854 -2.352 1.00 0.00 N ATOM 0 H ARG A 37 6.171 -14.278 -1.575 1.00 0.00 H new ATOM 0 HA ARG A 37 8.475 -15.408 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.048 -17.552 -2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.040 -16.584 -0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.823 -15.697 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.844 -16.406 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.863 -18.690 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.908 -18.009 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 37 2.640 -17.468 -0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.693 -18.473 -3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.029 -18.536 -4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.587 -17.567 -1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.322 -18.038 -3.128 1.00 0.00 H new ATOM 549 N ASN A 38 6.306 -15.179 -4.987 1.00 0.00 N ATOM 550 CA ASN A 38 6.029 -15.439 -6.413 1.00 0.00 C ATOM 551 C ASN A 38 5.489 -14.223 -7.201 1.00 0.00 C ATOM 552 O ASN A 38 5.382 -14.281 -8.428 1.00 0.00 O ATOM 553 CB ASN A 38 5.067 -16.637 -6.551 1.00 0.00 C ATOM 554 CG ASN A 38 5.615 -17.946 -6.005 1.00 0.00 C ATOM 555 OD1 ASN A 38 5.351 -18.325 -4.870 1.00 0.00 O ATOM 556 ND2 ASN A 38 6.365 -18.687 -6.795 1.00 0.00 N ATOM 0 H ASN A 38 5.629 -14.547 -4.559 1.00 0.00 H new ATOM 0 HA ASN A 38 6.994 -15.668 -6.865 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.137 -16.402 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.821 -16.771 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.728 -19.580 -6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.582 -18.368 -7.739 1.00 0.00 H new ATOM 563 N GLY A 39 5.145 -13.124 -6.516 1.00 0.00 N ATOM 564 CA GLY A 39 4.558 -11.909 -7.097 1.00 0.00 C ATOM 565 C GLY A 39 3.932 -11.003 -6.040 1.00 0.00 C ATOM 566 O GLY A 39 4.268 -11.106 -4.859 1.00 0.00 O ATOM 0 H GLY A 39 5.272 -13.054 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.329 -11.357 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.799 -12.189 -7.828 1.00 0.00 H new ATOM 570 N TRP A 40 3.028 -10.115 -6.459 1.00 0.00 N ATOM 571 CA TRP A 40 2.279 -9.230 -5.568 1.00 0.00 C ATOM 572 C TRP A 40 1.283 -9.996 -4.679 1.00 0.00 C ATOM 573 O TRP A 40 0.462 -10.770 -5.174 1.00 0.00 O ATOM 574 CB TRP A 40 1.550 -8.175 -6.410 1.00 0.00 C ATOM 575 CG TRP A 40 2.453 -7.277 -7.194 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.679 -7.353 -8.525 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.283 -6.179 -6.712 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.581 -6.377 -8.897 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.973 -5.608 -7.822 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.514 -5.606 -5.445 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.830 -4.504 -7.685 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.378 -4.506 -5.296 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.024 -3.944 -6.411 1.00 0.00 C ATOM 0 H TRP A 40 2.793 -9.990 -7.444 1.00 0.00 H new ATOM 0 HA TRP A 40 2.987 -8.748 -4.894 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.874 -8.682 -7.099 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.934 -7.564 -5.750 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.224 -8.068 -9.194 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.917 -6.241 -9.851 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.021 -6.017 -4.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.333 -4.091 -8.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.547 -4.089 -4.314 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.667 -3.085 -6.289 1.00 0.00 H new ATOM 594 N TRP A 41 1.323 -9.713 -3.376 1.00 0.00 N ATOM 595 CA TRP A 41 0.423 -10.251 -2.350 1.00 0.00 C ATOM 596 C TRP A 41 -0.142 -9.113 -1.492 1.00 0.00 C ATOM 597 O TRP A 41 0.556 -8.137 -1.209 1.00 0.00 O ATOM 598 CB TRP A 41 1.185 -11.285 -1.505 1.00 0.00 C ATOM 599 CG TRP A 41 1.677 -12.461 -2.292 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.968 -12.828 -2.446 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.903 -13.378 -3.122 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.048 -13.892 -3.324 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.807 -14.243 -3.806 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.472 -13.537 -3.399 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.373 -15.190 -4.745 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.919 -14.485 -4.334 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.002 -15.310 -5.012 1.00 0.00 C ATOM 0 H TRP A 41 2.015 -9.073 -2.987 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.425 -10.751 -2.819 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.035 -10.796 -1.029 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.533 -11.640 -0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.810 -12.361 -1.957 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.917 -14.359 -3.583 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.192 -12.919 -2.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.086 -15.819 -5.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.976 -14.582 -4.535 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.353 -16.032 -5.734 1.00 0.00 H new ATOM 618 N GLN A 42 -1.422 -9.208 -1.124 1.00 0.00 N ATOM 619 CA GLN A 42 -2.134 -8.151 -0.400 1.00 0.00 C ATOM 620 C GLN A 42 -1.782 -8.176 1.099 1.00 0.00 C ATOM 621 O GLN A 42 -1.666 -9.243 1.705 1.00 0.00 O ATOM 622 CB GLN A 42 -3.647 -8.312 -0.635 1.00 0.00 C ATOM 623 CG GLN A 42 -4.438 -7.044 -0.265 1.00 0.00 C ATOM 624 CD GLN A 42 -5.955 -7.211 -0.401 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.473 -8.016 -1.168 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.738 -6.461 0.350 1.00 0.00 N ATOM 0 H GLN A 42 -1.998 -10.026 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.823 -7.177 -0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.825 -8.555 -1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.016 -9.152 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.201 -6.764 0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.112 -6.222 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.330 -5.785 0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.751 -6.557 0.285 1.00 0.00 H new ATOM 635 N TYR A 43 -1.637 -6.998 1.709 1.00 0.00 N ATOM 636 CA TYR A 43 -1.453 -6.848 3.159 1.00 0.00 C ATOM 637 C TYR A 43 -2.701 -7.228 3.984 1.00 0.00 C ATOM 638 O TYR A 43 -3.838 -7.185 3.506 1.00 0.00 O ATOM 639 CB TYR A 43 -1.051 -5.402 3.477 1.00 0.00 C ATOM 640 CG TYR A 43 0.423 -5.107 3.319 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.292 -5.286 4.412 1.00 0.00 C ATOM 642 CD2 TYR A 43 0.923 -4.617 2.101 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.650 -4.948 4.293 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.276 -4.260 1.977 1.00 0.00 C ATOM 645 CZ TYR A 43 3.144 -4.428 3.078 1.00 0.00 C ATOM 646 OH TYR A 43 4.458 -4.108 2.962 1.00 0.00 O ATOM 0 H TYR A 43 -1.644 -6.110 1.207 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.665 -7.545 3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.614 -4.732 2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.345 -5.174 4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.914 -5.683 5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.262 -4.514 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.316 -5.086 5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.650 -3.860 1.046 1.00 0.00 H new ATOM 0 HH TYR A 43 4.959 -4.891 2.651 1.00 0.00 H new ATOM 656 N ASP A 44 -2.480 -7.545 5.265 1.00 0.00 N ATOM 657 CA ASP A 44 -3.531 -7.781 6.259 1.00 0.00 C ATOM 658 C ASP A 44 -4.232 -6.472 6.683 1.00 0.00 C ATOM 659 O ASP A 44 -3.643 -5.390 6.628 1.00 0.00 O ATOM 660 CB ASP A 44 -2.905 -8.506 7.458 1.00 0.00 C ATOM 661 CG ASP A 44 -3.950 -8.872 8.517 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.663 -9.884 8.332 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.083 -8.104 9.494 1.00 0.00 O ATOM 0 H ASP A 44 -1.540 -7.647 5.648 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.310 -8.404 5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.405 -9.411 7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.141 -7.871 7.907 1.00 0.00 H new ATOM 668 N GLU A 45 -5.486 -6.571 7.135 1.00 0.00 N ATOM 669 CA GLU A 45 -6.332 -5.430 7.510 1.00 0.00 C ATOM 670 C GLU A 45 -5.848 -4.704 8.774 1.00 0.00 C ATOM 671 O GLU A 45 -6.174 -3.532 8.967 1.00 0.00 O ATOM 672 CB GLU A 45 -7.798 -5.886 7.657 1.00 0.00 C ATOM 673 CG GLU A 45 -7.988 -7.109 8.572 1.00 0.00 C ATOM 674 CD GLU A 45 -9.463 -7.350 8.917 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.266 -7.662 8.006 1.00 0.00 O ATOM 676 OE2 GLU A 45 -9.820 -7.246 10.116 1.00 0.00 O ATOM 0 H GLU A 45 -5.954 -7.469 7.254 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.260 -4.700 6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.387 -5.057 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.195 -6.120 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.582 -7.994 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.420 -6.965 9.491 1.00 0.00 H new ATOM 683 N ARG A 46 -5.040 -5.365 9.616 1.00 0.00 N ATOM 684 CA ARG A 46 -4.450 -4.777 10.826 1.00 0.00 C ATOM 685 C ARG A 46 -3.047 -4.204 10.571 1.00 0.00 C ATOM 686 O ARG A 46 -2.522 -3.478 11.420 1.00 0.00 O ATOM 687 CB ARG A 46 -4.407 -5.810 11.968 1.00 0.00 C ATOM 688 CG ARG A 46 -5.694 -6.640 12.173 1.00 0.00 C ATOM 689 CD ARG A 46 -6.986 -5.808 12.142 1.00 0.00 C ATOM 690 NE ARG A 46 -8.187 -6.635 12.331 1.00 0.00 N ATOM 691 CZ ARG A 46 -8.694 -7.109 13.460 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.128 -6.909 14.633 1.00 0.00 N ATOM 693 NH2 ARG A 46 -9.806 -7.805 13.400 1.00 0.00 N ATOM 0 H ARG A 46 -4.774 -6.339 9.472 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.091 -3.947 11.121 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.581 -6.496 11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.183 -5.287 12.898 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.748 -7.405 11.398 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.631 -7.159 13.130 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.945 -5.048 12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.055 -5.284 11.189 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.697 -6.876 11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.264 -6.370 14.697 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.554 -7.293 15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.257 -7.969 12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.218 -8.182 14.253 1.00 0.00 H new ATOM 707 N THR A 47 -2.459 -4.497 9.400 1.00 0.00 N ATOM 708 CA THR A 47 -1.144 -4.004 8.963 1.00 0.00 C ATOM 709 C THR A 47 -1.282 -2.837 7.998 1.00 0.00 C ATOM 710 O THR A 47 -0.740 -1.768 8.248 1.00 0.00 O ATOM 711 CB THR A 47 -0.314 -5.142 8.359 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.224 -6.173 9.317 1.00 0.00 O ATOM 713 CG2 THR A 47 1.101 -4.667 8.034 1.00 0.00 C ATOM 0 H THR A 47 -2.901 -5.104 8.709 1.00 0.00 H new ATOM 0 HA THR A 47 -0.613 -3.632 9.839 1.00 0.00 H new ATOM 0 HB THR A 47 -0.792 -5.486 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.302 -6.914 8.951 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.672 -5.491 7.606 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.054 -3.847 7.317 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.588 -4.323 8.947 1.00 0.00 H new ATOM 721 N SER A 48 -2.053 -2.999 6.922 1.00 0.00 N ATOM 722 CA SER A 48 -2.267 -1.948 5.906 1.00 0.00 C ATOM 723 C SER A 48 -2.872 -0.661 6.482 1.00 0.00 C ATOM 724 O SER A 48 -2.556 0.436 6.014 1.00 0.00 O ATOM 725 CB SER A 48 -3.147 -2.467 4.762 1.00 0.00 C ATOM 726 OG SER A 48 -4.404 -2.953 5.215 1.00 0.00 O ATOM 0 H SER A 48 -2.553 -3.865 6.723 1.00 0.00 H new ATOM 0 HA SER A 48 -1.278 -1.694 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.310 -1.665 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.621 -3.265 4.237 1.00 0.00 H new ATOM 0 HG SER A 48 -4.274 -3.795 5.699 1.00 0.00 H new ATOM 732 N ARG A 49 -3.650 -0.772 7.565 1.00 0.00 N ATOM 733 CA ARG A 49 -4.193 0.371 8.304 1.00 0.00 C ATOM 734 C ARG A 49 -3.107 1.261 8.928 1.00 0.00 C ATOM 735 O ARG A 49 -3.351 2.445 9.140 1.00 0.00 O ATOM 736 CB ARG A 49 -5.213 -0.130 9.344 1.00 0.00 C ATOM 737 CG ARG A 49 -4.600 -0.914 10.520 1.00 0.00 C ATOM 738 CD ARG A 49 -4.174 -0.059 11.721 1.00 0.00 C ATOM 739 NE ARG A 49 -5.325 0.504 12.449 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.251 1.415 13.414 1.00 0.00 C ATOM 741 NH1 ARG A 49 -4.101 1.899 13.833 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.355 1.854 13.981 1.00 0.00 N ATOM 0 H ARG A 49 -3.924 -1.673 7.958 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.705 1.019 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.758 0.727 9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.942 -0.766 8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.324 -1.654 10.860 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.730 -1.462 10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.579 -0.667 12.403 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.534 0.753 11.376 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.253 0.168 12.192 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.229 1.576 13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.082 2.598 14.576 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.261 1.495 13.679 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.305 2.553 14.722 1.00 0.00 H new ATOM 756 N GLU A 50 -1.910 0.727 9.202 1.00 0.00 N ATOM 757 CA GLU A 50 -0.784 1.515 9.727 1.00 0.00 C ATOM 758 C GLU A 50 -0.144 2.353 8.605 1.00 0.00 C ATOM 759 O GLU A 50 0.237 3.507 8.806 1.00 0.00 O ATOM 760 CB GLU A 50 0.281 0.594 10.354 1.00 0.00 C ATOM 761 CG GLU A 50 -0.231 -0.298 11.498 1.00 0.00 C ATOM 762 CD GLU A 50 -0.485 0.505 12.783 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.577 1.101 12.919 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.400 0.531 13.671 1.00 0.00 O ATOM 0 H GLU A 50 -1.694 -0.261 9.067 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.171 2.183 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.696 -0.043 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.098 1.210 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.153 -0.790 11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.497 -1.084 11.699 1.00 0.00 H new ATOM 771 N LEU A 51 -0.086 1.781 7.397 1.00 0.00 N ATOM 772 CA LEU A 51 0.454 2.400 6.185 1.00 0.00 C ATOM 773 C LEU A 51 -0.490 3.497 5.665 1.00 0.00 C ATOM 774 O LEU A 51 -0.045 4.585 5.301 1.00 0.00 O ATOM 775 CB LEU A 51 0.676 1.295 5.130 1.00 0.00 C ATOM 776 CG LEU A 51 1.415 0.032 5.621 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.470 -1.002 4.493 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.821 0.371 6.125 1.00 0.00 C ATOM 0 H LEU A 51 -0.429 0.835 7.232 1.00 0.00 H new ATOM 0 HA LEU A 51 1.406 2.883 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.295 0.994 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.238 1.721 4.299 1.00 0.00 H new ATOM 0 HG LEU A 51 0.865 -0.390 6.462 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.992 -1.893 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.456 -1.269 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.001 -0.581 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.315 -0.539 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.399 0.819 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.750 1.075 6.954 1.00 0.00 H new ATOM 790 N GLU A 52 -1.797 3.218 5.709 1.00 0.00 N ATOM 791 CA GLU A 52 -2.891 4.168 5.476 1.00 0.00 C ATOM 792 C GLU A 52 -2.826 5.386 6.421 1.00 0.00 C ATOM 793 O GLU A 52 -3.138 6.505 6.015 1.00 0.00 O ATOM 794 CB GLU A 52 -4.223 3.422 5.691 1.00 0.00 C ATOM 795 CG GLU A 52 -5.481 4.233 5.352 1.00 0.00 C ATOM 796 CD GLU A 52 -6.731 3.604 5.990 1.00 0.00 C ATOM 797 OE1 GLU A 52 -7.081 2.453 5.643 1.00 0.00 O ATOM 798 OE2 GLU A 52 -7.380 4.265 6.835 1.00 0.00 O ATOM 0 H GLU A 52 -2.137 2.279 5.918 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.806 4.550 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.218 2.517 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.282 3.107 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.364 5.257 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.606 4.282 4.270 1.00 0.00 H new ATOM 805 N ASP A 53 -2.416 5.199 7.679 1.00 0.00 N ATOM 806 CA ASP A 53 -2.417 6.263 8.689 1.00 0.00 C ATOM 807 C ASP A 53 -1.201 7.181 8.537 1.00 0.00 C ATOM 808 O ASP A 53 -1.297 8.396 8.677 1.00 0.00 O ATOM 809 CB ASP A 53 -2.424 5.616 10.080 1.00 0.00 C ATOM 810 CG ASP A 53 -2.745 6.601 11.216 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.727 7.373 11.100 1.00 0.00 O ATOM 812 OD2 ASP A 53 -2.038 6.559 12.251 1.00 0.00 O ATOM 0 H ASP A 53 -2.073 4.304 8.027 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.306 6.879 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.157 4.809 10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.450 5.165 10.266 1.00 0.00 H new ATOM 817 N ALA A 54 -0.058 6.586 8.209 1.00 0.00 N ATOM 818 CA ALA A 54 1.238 7.250 8.104 1.00 0.00 C ATOM 819 C ALA A 54 1.303 8.322 7.005 1.00 0.00 C ATOM 820 O ALA A 54 1.688 9.460 7.287 1.00 0.00 O ATOM 821 CB ALA A 54 2.287 6.158 7.906 1.00 0.00 C ATOM 0 H ALA A 54 -0.007 5.589 8.001 1.00 0.00 H new ATOM 0 HA ALA A 54 1.426 7.810 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.274 6.613 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.271 5.479 8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.066 5.602 6.995 1.00 0.00 H new ATOM 827 N PHE A 55 0.882 7.997 5.777 1.00 0.00 N ATOM 828 CA PHE A 55 0.854 8.977 4.680 1.00 0.00 C ATOM 829 C PHE A 55 -0.191 10.078 4.931 1.00 0.00 C ATOM 830 O PHE A 55 -0.063 11.196 4.432 1.00 0.00 O ATOM 831 CB PHE A 55 0.649 8.261 3.333 1.00 0.00 C ATOM 832 CG PHE A 55 -0.777 8.237 2.820 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.686 7.277 3.297 1.00 0.00 C ATOM 834 CD2 PHE A 55 -1.209 9.212 1.900 1.00 0.00 C ATOM 835 CE1 PHE A 55 -3.031 7.315 2.888 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.549 9.239 1.478 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.466 8.299 1.982 1.00 0.00 C ATOM 0 H PHE A 55 0.556 7.066 5.516 1.00 0.00 H new ATOM 0 HA PHE A 55 1.819 9.483 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.278 8.743 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.000 7.234 3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.351 6.509 3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.509 9.940 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.731 6.587 3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.875 9.982 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.501 8.333 1.674 1.00 0.00 H new ATOM 847 N SER A 56 -1.201 9.767 5.743 1.00 0.00 N ATOM 848 CA SER A 56 -2.248 10.702 6.170 1.00 0.00 C ATOM 849 C SER A 56 -1.776 11.651 7.293 1.00 0.00 C ATOM 850 O SER A 56 -2.193 12.811 7.354 1.00 0.00 O ATOM 851 CB SER A 56 -3.481 9.902 6.619 1.00 0.00 C ATOM 852 OG SER A 56 -4.661 10.693 6.553 1.00 0.00 O ATOM 0 H SER A 56 -1.319 8.832 6.134 1.00 0.00 H new ATOM 0 HA SER A 56 -2.501 11.336 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.595 9.021 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.335 9.547 7.639 1.00 0.00 H new ATOM 0 HG SER A 56 -5.430 10.159 6.843 1.00 0.00 H new ATOM 858 N LYS A 57 -0.851 11.198 8.154 1.00 0.00 N ATOM 859 CA LYS A 57 -0.220 12.009 9.208 1.00 0.00 C ATOM 860 C LYS A 57 0.795 13.008 8.634 1.00 0.00 C ATOM 861 O LYS A 57 0.835 14.166 9.063 1.00 0.00 O ATOM 862 CB LYS A 57 0.496 11.075 10.198 1.00 0.00 C ATOM 863 CG LYS A 57 -0.447 10.390 11.198 1.00 0.00 C ATOM 864 CD LYS A 57 0.155 9.075 11.720 1.00 0.00 C ATOM 865 CE LYS A 57 1.587 9.194 12.262 1.00 0.00 C ATOM 866 NZ LYS A 57 1.605 9.617 13.690 1.00 0.00 N ATOM 0 H LYS A 57 -0.513 10.236 8.136 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.003 12.579 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.033 10.310 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.241 11.648 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.643 11.061 12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.405 10.189 10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.487 8.686 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.146 8.342 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.095 8.235 12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.144 9.914 11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.589 9.686 14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.143 10.544 13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.096 8.917 14.266 1.00 0.00 H new ATOM 880 N GLY A 58 1.613 12.556 7.675 1.00 0.00 N ATOM 881 CA GLY A 58 2.661 13.350 7.022 1.00 0.00 C ATOM 882 C GLY A 58 4.057 12.739 7.110 1.00 0.00 C ATOM 883 O GLY A 58 4.974 13.261 6.476 1.00 0.00 O ATOM 0 H GLY A 58 1.562 11.600 7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.400 13.482 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.682 14.343 7.472 1.00 0.00 H new ATOM 887 N LYS A 59 4.245 11.652 7.871 1.00 0.00 N ATOM 888 CA LYS A 59 5.516 10.923 7.881 1.00 0.00 C ATOM 889 C LYS A 59 5.832 10.280 6.518 1.00 0.00 C ATOM 890 O LYS A 59 4.944 9.936 5.737 1.00 0.00 O ATOM 891 CB LYS A 59 5.578 9.902 9.037 1.00 0.00 C ATOM 892 CG LYS A 59 4.330 9.022 9.168 1.00 0.00 C ATOM 893 CD LYS A 59 4.566 7.773 10.028 1.00 0.00 C ATOM 894 CE LYS A 59 5.202 8.042 11.401 1.00 0.00 C ATOM 895 NZ LYS A 59 5.457 6.773 12.136 1.00 0.00 N ATOM 0 H LYS A 59 3.532 11.260 8.486 1.00 0.00 H new ATOM 0 HA LYS A 59 6.301 11.657 8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.447 9.260 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.729 10.439 9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.522 9.609 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.002 8.716 8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.612 7.268 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.207 7.085 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.139 8.584 11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.544 8.680 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.956 6.793 13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.116 5.970 11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.478 6.669 12.305 1.00 0.00 H new ATOM 909 N LYS A 60 7.127 10.095 6.255 1.00 0.00 N ATOM 910 CA LYS A 60 7.660 9.570 4.987 1.00 0.00 C ATOM 911 C LYS A 60 7.977 8.063 5.035 1.00 0.00 C ATOM 912 O LYS A 60 8.360 7.468 4.029 1.00 0.00 O ATOM 913 CB LYS A 60 8.852 10.452 4.558 1.00 0.00 C ATOM 914 CG LYS A 60 10.179 10.192 5.283 1.00 0.00 C ATOM 915 CD LYS A 60 11.241 11.215 4.863 1.00 0.00 C ATOM 916 CE LYS A 60 12.566 10.939 5.589 1.00 0.00 C ATOM 917 NZ LYS A 60 13.614 11.927 5.216 1.00 0.00 N ATOM 0 H LYS A 60 7.857 10.311 6.934 1.00 0.00 H new ATOM 0 HA LYS A 60 6.890 9.633 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.013 10.315 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.578 11.496 4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.025 10.243 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.530 9.185 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.393 11.169 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.896 12.223 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.404 10.970 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.911 9.934 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.494 11.709 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.786 11.880 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.295 12.884 5.470 1.00 0.00 H new ATOM 931 N ASN A 61 7.806 7.441 6.207 1.00 0.00 N ATOM 932 CA ASN A 61 8.035 6.017 6.477 1.00 0.00 C ATOM 933 C ASN A 61 7.495 5.648 7.865 1.00 0.00 C ATOM 934 O ASN A 61 7.423 6.504 8.753 1.00 0.00 O ATOM 935 CB ASN A 61 9.524 5.630 6.358 1.00 0.00 C ATOM 936 CG ASN A 61 10.390 6.258 7.444 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.764 7.507 7.254 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.707 5.647 8.455 1.00 0.00 N flip ATOM 0 H ASN A 61 7.488 7.943 7.036 1.00 0.00 H new ATOM 0 HA ASN A 61 7.496 5.451 5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.617 4.545 6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.897 5.937 5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.407 4.681 8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.272 6.104 9.171 1.00 0.00 H new ATOM 945 N THR A 62 7.129 4.381 8.050 1.00 0.00 N ATOM 946 CA THR A 62 6.499 3.845 9.268 1.00 0.00 C ATOM 947 C THR A 62 6.912 2.399 9.518 1.00 0.00 C ATOM 948 O THR A 62 7.647 1.823 8.723 1.00 0.00 O ATOM 949 CB THR A 62 4.984 4.066 9.225 1.00 0.00 C ATOM 950 OG1 THR A 62 4.516 4.021 10.554 1.00 0.00 O ATOM 951 CG2 THR A 62 4.237 3.041 8.366 1.00 0.00 C ATOM 0 H THR A 62 7.266 3.669 7.333 1.00 0.00 H new ATOM 0 HA THR A 62 6.863 4.397 10.135 1.00 0.00 H new ATOM 0 HB THR A 62 4.790 5.031 8.757 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.546 4.161 10.564 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.170 3.261 8.383 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.601 3.091 7.340 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.408 2.040 8.763 1.00 0.00 H new ATOM 959 N GLU A 63 6.469 1.820 10.630 1.00 0.00 N ATOM 960 CA GLU A 63 6.920 0.526 11.145 1.00 0.00 C ATOM 961 C GLU A 63 5.748 -0.431 11.375 1.00 0.00 C ATOM 962 O GLU A 63 4.654 -0.027 11.781 1.00 0.00 O ATOM 963 CB GLU A 63 7.683 0.751 12.456 1.00 0.00 C ATOM 964 CG GLU A 63 9.049 1.393 12.195 1.00 0.00 C ATOM 965 CD GLU A 63 9.784 1.690 13.505 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.491 2.725 14.151 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.676 0.899 13.885 1.00 0.00 O ATOM 0 H GLU A 63 5.760 2.253 11.221 1.00 0.00 H new ATOM 0 HA GLU A 63 7.574 0.066 10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.097 1.391 13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.817 -0.201 12.970 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.654 0.728 11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.917 2.317 11.632 1.00 0.00 H new ATOM 974 N MET A 64 6.000 -1.718 11.128 1.00 0.00 N ATOM 975 CA MET A 64 5.002 -2.794 11.162 1.00 0.00 C ATOM 976 C MET A 64 5.621 -4.149 11.526 1.00 0.00 C ATOM 977 O MET A 64 6.766 -4.443 11.180 1.00 0.00 O ATOM 978 CB MET A 64 4.259 -2.873 9.814 1.00 0.00 C ATOM 979 CG MET A 64 5.212 -2.930 8.612 1.00 0.00 C ATOM 980 SD MET A 64 4.430 -3.242 7.016 1.00 0.00 S ATOM 981 CE MET A 64 5.899 -3.780 6.103 1.00 0.00 C ATOM 0 H MET A 64 6.934 -2.053 10.891 1.00 0.00 H new ATOM 0 HA MET A 64 4.286 -2.554 11.948 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.620 -3.756 9.808 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.606 -2.006 9.713 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.753 -1.985 8.554 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.952 -3.710 8.793 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.782 -3.535 5.048 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.779 -3.272 6.498 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.022 -4.857 6.213 1.00 0.00 H new ATOM 991 N LEU A 65 4.839 -4.977 12.220 1.00 0.00 N ATOM 992 CA LEU A 65 5.200 -6.322 12.667 1.00 0.00 C ATOM 993 C LEU A 65 4.524 -7.376 11.782 1.00 0.00 C ATOM 994 O LEU A 65 3.373 -7.217 11.369 1.00 0.00 O ATOM 995 CB LEU A 65 4.790 -6.483 14.148 1.00 0.00 C ATOM 996 CG LEU A 65 5.812 -7.176 15.071 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.167 -8.609 14.670 1.00 0.00 C ATOM 998 CD2 LEU A 65 7.079 -6.326 15.190 1.00 0.00 C ATOM 0 H LEU A 65 3.893 -4.716 12.498 1.00 0.00 H new ATOM 0 HA LEU A 65 6.277 -6.467 12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.579 -5.493 14.554 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.858 -7.048 14.185 1.00 0.00 H new ATOM 0 HG LEU A 65 5.321 -7.260 16.040 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.892 -9.015 15.376 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.267 -9.223 14.680 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.596 -8.611 13.668 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.793 -6.826 15.844 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.522 -6.194 14.203 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.825 -5.351 15.607 1.00 0.00 H new ATOM 1010 N ILE A 66 5.244 -8.463 11.519 1.00 0.00 N ATOM 1011 CA ILE A 66 4.795 -9.594 10.680 1.00 0.00 C ATOM 1012 C ILE A 66 4.854 -10.938 11.435 1.00 0.00 C ATOM 1013 O ILE A 66 4.749 -10.970 12.661 1.00 0.00 O ATOM 1014 CB ILE A 66 5.549 -9.582 9.330 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.058 -9.890 9.494 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.317 -8.249 8.596 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.502 -11.104 8.672 1.00 0.00 C ATOM 0 H ILE A 66 6.185 -8.595 11.890 1.00 0.00 H new ATOM 0 HA ILE A 66 3.738 -9.469 10.446 1.00 0.00 H new ATOM 0 HB ILE A 66 5.139 -10.386 8.718 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.638 -9.018 9.191 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.277 -10.069 10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.855 -8.257 7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.251 -8.118 8.408 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.680 -7.426 9.212 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.568 -11.276 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.944 -11.984 8.992 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.311 -10.917 7.615 1.00 0.00 H new ATOM 1029 N ALA A 67 5.035 -12.059 10.726 1.00 0.00 N ATOM 1030 CA ALA A 67 5.138 -13.411 11.283 1.00 0.00 C ATOM 1031 C ALA A 67 6.282 -13.627 12.303 1.00 0.00 C ATOM 1032 O ALA A 67 6.251 -14.609 13.051 1.00 0.00 O ATOM 1033 CB ALA A 67 5.320 -14.364 10.094 1.00 0.00 C ATOM 0 H ALA A 67 5.117 -12.047 9.709 1.00 0.00 H new ATOM 0 HA ALA A 67 4.229 -13.598 11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.402 -15.388 10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.461 -14.283 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.227 -14.098 9.550 1.00 0.00 H new ATOM 1039 N GLY A 68 7.275 -12.729 12.352 1.00 0.00 N ATOM 1040 CA GLY A 68 8.403 -12.806 13.292 1.00 0.00 C ATOM 1041 C GLY A 68 9.443 -11.682 13.210 1.00 0.00 C ATOM 1042 O GLY A 68 10.535 -11.846 13.757 1.00 0.00 O ATOM 0 H GLY A 68 7.319 -11.919 11.733 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.001 -12.825 14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.914 -13.756 13.134 1.00 0.00 H new ATOM 1046 N PHE A 69 9.138 -10.564 12.533 1.00 0.00 N ATOM 1047 CA PHE A 69 10.100 -9.506 12.194 1.00 0.00 C ATOM 1048 C PHE A 69 9.444 -8.119 12.147 1.00 0.00 C ATOM 1049 O PHE A 69 8.252 -7.992 11.857 1.00 0.00 O ATOM 1050 CB PHE A 69 10.756 -9.818 10.833 1.00 0.00 C ATOM 1051 CG PHE A 69 11.579 -11.092 10.787 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.889 -11.096 11.305 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.046 -12.272 10.230 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.668 -12.265 11.247 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.824 -13.442 10.178 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.136 -13.439 10.684 1.00 0.00 C ATOM 0 H PHE A 69 8.195 -10.367 12.199 1.00 0.00 H new ATOM 0 HA PHE A 69 10.856 -9.485 12.979 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.973 -9.883 10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.397 -8.981 10.557 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.296 -10.199 11.748 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.038 -12.277 9.842 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.676 -12.261 11.635 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.413 -14.344 9.749 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.734 -14.337 10.640 1.00 0.00 H new ATOM 1066 N LEU A 70 10.249 -7.080 12.394 1.00 0.00 N ATOM 1067 CA LEU A 70 9.879 -5.678 12.194 1.00 0.00 C ATOM 1068 C LEU A 70 10.331 -5.258 10.790 1.00 0.00 C ATOM 1069 O LEU A 70 11.512 -5.356 10.446 1.00 0.00 O ATOM 1070 CB LEU A 70 10.543 -4.823 13.296 1.00 0.00 C ATOM 1071 CG LEU A 70 10.024 -3.384 13.531 1.00 0.00 C ATOM 1072 CD1 LEU A 70 10.019 -2.492 12.285 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.626 -3.372 14.159 1.00 0.00 C ATOM 0 H LEU A 70 11.199 -7.195 12.747 1.00 0.00 H new ATOM 0 HA LEU A 70 8.801 -5.534 12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.451 -5.366 14.237 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.607 -4.758 13.068 1.00 0.00 H new ATOM 0 HG LEU A 70 10.749 -2.959 14.225 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.640 -1.504 12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.034 -2.401 11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.379 -2.936 11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.302 -2.342 14.306 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.926 -3.882 13.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.655 -3.884 15.121 1.00 0.00 H new ATOM 1085 N TYR A 71 9.393 -4.749 10.001 1.00 0.00 N ATOM 1086 CA TYR A 71 9.643 -4.120 8.702 1.00 0.00 C ATOM 1087 C TYR A 71 9.306 -2.620 8.730 1.00 0.00 C ATOM 1088 O TYR A 71 8.245 -2.207 9.199 1.00 0.00 O ATOM 1089 CB TYR A 71 8.862 -4.853 7.600 1.00 0.00 C ATOM 1090 CG TYR A 71 9.277 -6.289 7.314 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.634 -6.679 7.327 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.291 -7.246 7.008 1.00 0.00 C ATOM 1093 CE1 TYR A 71 10.987 -8.019 7.087 1.00 0.00 C ATOM 1094 CE2 TYR A 71 8.639 -8.588 6.784 1.00 0.00 C ATOM 1095 CZ TYR A 71 9.992 -8.981 6.827 1.00 0.00 C ATOM 1096 OH TYR A 71 10.359 -10.274 6.627 1.00 0.00 O ATOM 0 H TYR A 71 8.404 -4.761 10.252 1.00 0.00 H new ATOM 0 HA TYR A 71 10.707 -4.202 8.479 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.806 -4.851 7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 71 8.956 -4.281 6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.403 -5.946 7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.256 -6.945 6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.026 -8.312 7.102 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.870 -9.318 6.579 1.00 0.00 H new ATOM 0 HH TYR A 71 9.567 -10.810 6.413 1.00 0.00 H new ATOM 1106 N VAL A 72 10.223 -1.810 8.206 1.00 0.00 N ATOM 1107 CA VAL A 72 10.059 -0.376 7.954 1.00 0.00 C ATOM 1108 C VAL A 72 9.490 -0.227 6.543 1.00 0.00 C ATOM 1109 O VAL A 72 10.108 -0.688 5.587 1.00 0.00 O ATOM 1110 CB VAL A 72 11.402 0.384 8.059 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.192 1.904 7.945 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.145 0.071 9.369 1.00 0.00 C ATOM 0 H VAL A 72 11.145 -2.149 7.932 1.00 0.00 H new ATOM 0 HA VAL A 72 9.392 0.051 8.703 1.00 0.00 H new ATOM 0 HB VAL A 72 12.015 0.040 7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.154 2.411 8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.735 2.137 6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.538 2.242 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.082 0.627 9.398 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.525 0.361 10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.356 -0.997 9.422 1.00 0.00 H new ATOM 1122 N ALA A 73 8.319 0.392 6.415 1.00 0.00 N ATOM 1123 CA ALA A 73 7.649 0.680 5.148 1.00 0.00 C ATOM 1124 C ALA A 73 7.869 2.150 4.763 1.00 0.00 C ATOM 1125 O ALA A 73 7.510 3.054 5.516 1.00 0.00 O ATOM 1126 CB ALA A 73 6.162 0.343 5.308 1.00 0.00 C ATOM 0 H ALA A 73 7.789 0.720 7.223 1.00 0.00 H new ATOM 0 HA ALA A 73 8.062 0.074 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.640 0.550 4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.053 -0.712 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.735 0.951 6.105 1.00 0.00 H new ATOM 1132 N ASP A 74 8.466 2.387 3.597 1.00 0.00 N ATOM 1133 CA ASP A 74 8.880 3.699 3.097 1.00 0.00 C ATOM 1134 C ASP A 74 7.921 4.202 2.002 1.00 0.00 C ATOM 1135 O ASP A 74 7.767 3.564 0.956 1.00 0.00 O ATOM 1136 CB ASP A 74 10.325 3.586 2.586 1.00 0.00 C ATOM 1137 CG ASP A 74 10.868 4.936 2.103 1.00 0.00 C ATOM 1138 OD1 ASP A 74 10.685 5.247 0.905 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.472 5.668 2.917 1.00 0.00 O ATOM 0 H ASP A 74 8.685 1.635 2.943 1.00 0.00 H new ATOM 0 HA ASP A 74 8.840 4.435 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.963 3.202 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.366 2.865 1.769 1.00 0.00 H new ATOM 1144 N LEU A 75 7.289 5.356 2.250 1.00 0.00 N ATOM 1145 CA LEU A 75 6.282 5.983 1.384 1.00 0.00 C ATOM 1146 C LEU A 75 6.878 6.734 0.181 1.00 0.00 C ATOM 1147 O LEU A 75 6.150 7.023 -0.770 1.00 0.00 O ATOM 1148 CB LEU A 75 5.422 6.935 2.250 1.00 0.00 C ATOM 1149 CG LEU A 75 4.373 6.212 3.120 1.00 0.00 C ATOM 1150 CD1 LEU A 75 3.944 7.065 4.319 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.156 5.907 2.250 1.00 0.00 C ATOM 0 H LEU A 75 7.472 5.900 3.093 1.00 0.00 H new ATOM 0 HA LEU A 75 5.674 5.188 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.080 7.515 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.912 7.643 1.597 1.00 0.00 H new ATOM 0 HG LEU A 75 4.814 5.295 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.205 6.521 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.813 7.282 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.509 7.999 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.401 5.395 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.742 6.838 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.454 5.269 1.418 1.00 0.00 H new ATOM 1163 N GLU A 76 8.178 7.037 0.197 1.00 0.00 N ATOM 1164 CA GLU A 76 8.840 7.866 -0.820 1.00 0.00 C ATOM 1165 C GLU A 76 9.293 7.041 -2.032 1.00 0.00 C ATOM 1166 O GLU A 76 9.035 7.406 -3.180 1.00 0.00 O ATOM 1167 CB GLU A 76 10.062 8.564 -0.204 1.00 0.00 C ATOM 1168 CG GLU A 76 9.717 9.547 0.920 1.00 0.00 C ATOM 1169 CD GLU A 76 8.888 10.739 0.419 1.00 0.00 C ATOM 1170 OE1 GLU A 76 9.456 11.632 -0.256 1.00 0.00 O ATOM 1171 OE2 GLU A 76 7.671 10.800 0.706 1.00 0.00 O ATOM 0 H GLU A 76 8.812 6.710 0.926 1.00 0.00 H new ATOM 0 HA GLU A 76 8.113 8.601 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.742 7.807 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.596 9.099 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.163 9.024 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.638 9.913 1.375 1.00 0.00 H new ATOM 1178 N ASN A 77 9.950 5.911 -1.769 1.00 0.00 N ATOM 1179 CA ASN A 77 10.459 4.969 -2.769 1.00 0.00 C ATOM 1180 C ASN A 77 9.465 3.819 -3.034 1.00 0.00 C ATOM 1181 O ASN A 77 9.647 3.044 -3.976 1.00 0.00 O ATOM 1182 CB ASN A 77 11.801 4.407 -2.273 1.00 0.00 C ATOM 1183 CG ASN A 77 12.849 5.488 -2.016 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.617 5.856 -2.897 1.00 0.00 O ATOM 1185 ND2 ASN A 77 12.918 6.014 -0.804 1.00 0.00 N ATOM 0 H ASN A 77 10.151 5.614 -0.814 1.00 0.00 H new ATOM 0 HA ASN A 77 10.593 5.499 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.635 3.846 -1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.188 3.704 -3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.614 6.731 -0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.275 5.703 -0.076 1.00 0.00 H new ATOM 1192 N MET A 78 8.437 3.694 -2.180 1.00 0.00 N ATOM 1193 CA MET A 78 7.465 2.588 -2.133 1.00 0.00 C ATOM 1194 C MET A 78 8.175 1.228 -1.997 1.00 0.00 C ATOM 1195 O MET A 78 8.074 0.362 -2.867 1.00 0.00 O ATOM 1196 CB MET A 78 6.485 2.627 -3.320 1.00 0.00 C ATOM 1197 CG MET A 78 5.617 3.892 -3.400 1.00 0.00 C ATOM 1198 SD MET A 78 3.875 3.662 -2.935 1.00 0.00 S ATOM 1199 CE MET A 78 4.022 3.702 -1.135 1.00 0.00 C ATOM 0 H MET A 78 8.251 4.398 -1.466 1.00 0.00 H new ATOM 0 HA MET A 78 6.858 2.722 -1.238 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.054 2.535 -4.245 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.830 1.758 -3.261 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.052 4.654 -2.753 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.657 4.278 -4.419 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.030 3.645 -0.688 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.620 2.855 -0.800 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.505 4.630 -0.830 1.00 0.00 H new ATOM 1209 N VAL A 79 8.862 1.019 -0.872 1.00 0.00 N ATOM 1210 CA VAL A 79 9.542 -0.249 -0.519 1.00 0.00 C ATOM 1211 C VAL A 79 9.370 -0.578 0.969 1.00 0.00 C ATOM 1212 O VAL A 79 8.962 0.275 1.754 1.00 0.00 O ATOM 1213 CB VAL A 79 11.052 -0.248 -0.881 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.301 -0.108 -2.390 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.843 0.822 -0.111 1.00 0.00 C ATOM 0 H VAL A 79 8.969 1.739 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 79 9.060 -1.021 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 79 11.420 -1.226 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.374 -0.113 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.833 -0.941 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.873 0.830 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.892 0.779 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.442 1.809 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.756 0.639 0.960 1.00 0.00 H new ATOM 1225 N GLN A 80 9.725 -1.799 1.364 1.00 0.00 N ATOM 1226 CA GLN A 80 9.834 -2.247 2.753 1.00 0.00 C ATOM 1227 C GLN A 80 11.214 -2.872 3.011 1.00 0.00 C ATOM 1228 O GLN A 80 11.809 -3.421 2.087 1.00 0.00 O ATOM 1229 CB GLN A 80 8.710 -3.247 3.073 1.00 0.00 C ATOM 1230 CG GLN A 80 8.740 -4.480 2.148 1.00 0.00 C ATOM 1231 CD GLN A 80 7.926 -5.645 2.680 1.00 0.00 C ATOM 1232 OE1 GLN A 80 6.882 -5.995 2.153 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.391 -6.316 3.710 1.00 0.00 N ATOM 0 H GLN A 80 9.955 -2.536 0.697 1.00 0.00 H new ATOM 0 HA GLN A 80 9.727 -1.385 3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.800 -3.572 4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.746 -2.748 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.361 -4.199 1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.773 -4.799 2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.263 -6.028 4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.880 -7.124 4.065 1.00 0.00 H new ATOM 1242 N TYR A 81 11.708 -2.830 4.253 1.00 0.00 N ATOM 1243 CA TYR A 81 12.983 -3.436 4.685 1.00 0.00 C ATOM 1244 C TYR A 81 13.083 -3.644 6.205 1.00 0.00 C ATOM 1245 O TYR A 81 12.361 -3.008 6.974 1.00 0.00 O ATOM 1246 CB TYR A 81 14.174 -2.602 4.186 1.00 0.00 C ATOM 1247 CG TYR A 81 14.058 -1.094 4.309 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.248 -0.451 5.548 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.818 -0.326 3.156 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.210 0.954 5.628 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.804 1.077 3.218 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.995 1.725 4.462 1.00 0.00 C ATOM 1253 OH TYR A 81 13.977 3.085 4.543 1.00 0.00 O ATOM 0 H TYR A 81 11.219 -2.359 5.014 1.00 0.00 H new ATOM 0 HA TYR A 81 13.012 -4.428 4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.062 -2.919 4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.342 -2.845 3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.423 -1.037 6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.642 -0.821 2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.345 1.444 6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.648 1.658 2.321 1.00 0.00 H new ATOM 0 HH TYR A 81 13.819 3.464 3.653 1.00 0.00 H new ATOM 1263 N ARG A 82 14.009 -4.502 6.657 1.00 0.00 N ATOM 1264 CA ARG A 82 14.365 -4.634 8.082 1.00 0.00 C ATOM 1265 C ARG A 82 15.142 -3.401 8.579 1.00 0.00 C ATOM 1266 O ARG A 82 15.905 -2.797 7.825 1.00 0.00 O ATOM 1267 CB ARG A 82 15.191 -5.912 8.319 1.00 0.00 C ATOM 1268 CG ARG A 82 14.352 -7.189 8.154 1.00 0.00 C ATOM 1269 CD ARG A 82 15.165 -8.428 8.545 1.00 0.00 C ATOM 1270 NE ARG A 82 14.337 -9.648 8.615 1.00 0.00 N ATOM 1271 CZ ARG A 82 14.014 -10.470 7.623 1.00 0.00 C ATOM 1272 NH1 ARG A 82 14.278 -10.207 6.362 1.00 0.00 N ATOM 1273 NH2 ARG A 82 13.418 -11.604 7.898 1.00 0.00 N ATOM 0 H ARG A 82 14.535 -5.126 6.045 1.00 0.00 H new ATOM 0 HA ARG A 82 13.437 -4.704 8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.027 -5.936 7.620 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.616 -5.886 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.458 -7.125 8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.018 -7.279 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.965 -8.577 7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.638 -8.258 9.512 1.00 0.00 H new ATOM 0 HE ARG A 82 13.969 -9.889 9.535 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.751 -9.339 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.010 -10.871 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.207 -11.848 8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.165 -12.243 7.144 1.00 0.00 H new ATOM 1287 N ARG A 83 14.995 -3.058 9.867 1.00 0.00 N ATOM 1288 CA ARG A 83 15.639 -1.885 10.499 1.00 0.00 C ATOM 1289 C ARG A 83 17.179 -1.862 10.404 1.00 0.00 C ATOM 1290 O ARG A 83 17.771 -0.785 10.455 1.00 0.00 O ATOM 1291 CB ARG A 83 15.239 -1.800 11.982 1.00 0.00 C ATOM 1292 CG ARG A 83 13.809 -1.280 12.199 1.00 0.00 C ATOM 1293 CD ARG A 83 13.396 -1.323 13.682 1.00 0.00 C ATOM 1294 NE ARG A 83 14.349 -0.611 14.559 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.277 0.643 14.994 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.245 1.423 14.767 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.280 1.141 15.688 1.00 0.00 N ATOM 0 H ARG A 83 14.417 -3.594 10.514 1.00 0.00 H new ATOM 0 HA ARG A 83 15.279 -1.026 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.331 -2.788 12.433 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.939 -1.146 12.503 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.737 -0.256 11.832 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.113 -1.879 11.612 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.406 -0.880 13.792 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.318 -2.362 14.004 1.00 0.00 H new ATOM 0 HE ARG A 83 15.160 -1.147 14.868 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.449 1.073 14.234 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.240 2.379 15.124 1.00 0.00 H new ATOM 0 HH21 ARG A 83 16.099 0.566 15.885 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.238 2.102 16.028 1.00 0.00 H new ATOM 1311 N ASN A 84 17.835 -3.021 10.267 1.00 0.00 N ATOM 1312 CA ASN A 84 19.302 -3.117 10.288 1.00 0.00 C ATOM 1313 C ASN A 84 19.989 -2.454 9.075 1.00 0.00 C ATOM 1314 O ASN A 84 21.097 -1.934 9.212 1.00 0.00 O ATOM 1315 CB ASN A 84 19.713 -4.596 10.398 1.00 0.00 C ATOM 1316 CG ASN A 84 21.186 -4.742 10.782 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.583 -4.417 11.894 1.00 0.00 O ATOM 1318 ND2 ASN A 84 22.039 -5.226 9.897 1.00 0.00 N ATOM 0 H ASN A 84 17.366 -3.918 10.139 1.00 0.00 H new ATOM 0 HA ASN A 84 19.644 -2.559 11.160 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.091 -5.093 11.142 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.533 -5.096 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 84 23.024 -5.328 10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.712 -5.498 8.970 1.00 0.00 H new ATOM 1325 N GLU A 85 19.342 -2.463 7.901 1.00 0.00 N ATOM 1326 CA GLU A 85 19.903 -1.969 6.637 1.00 0.00 C ATOM 1327 C GLU A 85 18.812 -1.774 5.573 1.00 0.00 C ATOM 1328 O GLU A 85 18.067 -2.694 5.236 1.00 0.00 O ATOM 1329 CB GLU A 85 21.032 -2.901 6.144 1.00 0.00 C ATOM 1330 CG GLU A 85 20.587 -4.336 5.821 1.00 0.00 C ATOM 1331 CD GLU A 85 21.733 -5.333 6.020 1.00 0.00 C ATOM 1332 OE1 GLU A 85 22.552 -5.521 5.090 1.00 0.00 O ATOM 1333 OE2 GLU A 85 21.814 -5.932 7.119 1.00 0.00 O ATOM 0 H GLU A 85 18.392 -2.822 7.802 1.00 0.00 H new ATOM 0 HA GLU A 85 20.339 -0.987 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.480 -2.465 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.811 -2.940 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.748 -4.611 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 85 20.233 -4.386 4.791 1.00 0.00 H new ATOM 1340 N HIS A 86 18.739 -0.572 4.996 1.00 0.00 N ATOM 1341 CA HIS A 86 17.760 -0.215 3.960 1.00 0.00 C ATOM 1342 C HIS A 86 17.954 -0.959 2.622 1.00 0.00 C ATOM 1343 O HIS A 86 17.051 -0.999 1.789 1.00 0.00 O ATOM 1344 CB HIS A 86 17.819 1.304 3.759 1.00 0.00 C ATOM 1345 CG HIS A 86 19.156 1.800 3.276 1.00 0.00 C ATOM 1346 ND1 HIS A 86 20.219 2.191 4.095 1.00 0.00 N ATOM 1347 CD2 HIS A 86 19.548 1.880 1.972 1.00 0.00 C ATOM 1348 CE1 HIS A 86 21.222 2.507 3.259 1.00 0.00 C ATOM 1349 NE2 HIS A 86 20.849 2.332 1.978 1.00 0.00 N ATOM 0 H HIS A 86 19.367 0.194 5.238 1.00 0.00 H new ATOM 0 HA HIS A 86 16.776 -0.530 4.307 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.052 1.597 3.042 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.578 1.796 4.701 1.00 0.00 H new ATOM 0 HD2 HIS A 86 18.954 1.636 1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 86 22.195 2.854 3.572 1.00 0.00 H new ATOM 0 HE2 HIS A 86 21.428 2.504 1.156 1.00 0.00 H new ATOM 1357 N GLY A 87 19.129 -1.569 2.424 1.00 0.00 N ATOM 1358 CA GLY A 87 19.482 -2.374 1.245 1.00 0.00 C ATOM 1359 C GLY A 87 18.826 -3.760 1.214 1.00 0.00 C ATOM 1360 O GLY A 87 18.693 -4.339 0.136 1.00 0.00 O ATOM 0 H GLY A 87 19.888 -1.515 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.195 -1.828 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.565 -2.495 1.212 1.00 0.00 H new ATOM 1364 N ARG A 88 18.360 -4.280 2.361 1.00 0.00 N ATOM 1365 CA ARG A 88 17.620 -5.547 2.477 1.00 0.00 C ATOM 1366 C ARG A 88 16.119 -5.295 2.240 1.00 0.00 C ATOM 1367 O ARG A 88 15.299 -5.477 3.144 1.00 0.00 O ATOM 1368 CB ARG A 88 17.960 -6.175 3.846 1.00 0.00 C ATOM 1369 CG ARG A 88 17.438 -7.600 4.100 1.00 0.00 C ATOM 1370 CD ARG A 88 17.881 -8.606 3.028 1.00 0.00 C ATOM 1371 NE ARG A 88 17.761 -10.003 3.489 1.00 0.00 N ATOM 1372 CZ ARG A 88 16.672 -10.765 3.517 1.00 0.00 C ATOM 1373 NH1 ARG A 88 15.474 -10.318 3.214 1.00 0.00 N ATOM 1374 NH2 ARG A 88 16.773 -12.027 3.854 1.00 0.00 N ATOM 0 H ARG A 88 18.492 -3.816 3.260 1.00 0.00 H new ATOM 0 HA ARG A 88 17.913 -6.268 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 88 19.044 -6.185 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.566 -5.524 4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.788 -7.940 5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.349 -7.579 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 88 17.277 -8.468 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 88 18.915 -8.405 2.749 1.00 0.00 H new ATOM 0 HE ARG A 88 18.619 -10.437 3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.347 -9.343 2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.671 -10.946 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.684 -12.420 4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.941 -12.617 3.877 1.00 0.00 H new ATOM 1388 N ARG A 89 15.777 -4.824 1.032 1.00 0.00 N ATOM 1389 CA ARG A 89 14.447 -4.304 0.678 1.00 0.00 C ATOM 1390 C ARG A 89 13.680 -5.108 -0.380 1.00 0.00 C ATOM 1391 O ARG A 89 14.276 -5.796 -1.213 1.00 0.00 O ATOM 1392 CB ARG A 89 14.529 -2.807 0.311 1.00 0.00 C ATOM 1393 CG ARG A 89 15.381 -2.466 -0.917 1.00 0.00 C ATOM 1394 CD ARG A 89 15.380 -0.958 -1.184 1.00 0.00 C ATOM 1395 NE ARG A 89 16.258 -0.616 -2.317 1.00 0.00 N ATOM 1396 CZ ARG A 89 16.616 0.608 -2.695 1.00 0.00 C ATOM 1397 NH1 ARG A 89 16.199 1.687 -2.063 1.00 0.00 N ATOM 1398 NH2 ARG A 89 17.410 0.762 -3.731 1.00 0.00 N ATOM 0 H ARG A 89 16.435 -4.793 0.253 1.00 0.00 H new ATOM 0 HA ARG A 89 13.847 -4.425 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.517 -2.438 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.927 -2.264 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.403 -2.811 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.996 -2.994 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.364 -0.624 -1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.711 -0.428 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 89 16.627 -1.393 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.581 1.599 -1.256 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.494 2.610 -2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.748 -0.055 -4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.688 1.698 -4.026 1.00 0.00 H new ATOM 1412 N ARG A 90 12.351 -4.963 -0.349 1.00 0.00 N ATOM 1413 CA ARG A 90 11.378 -5.485 -1.325 1.00 0.00 C ATOM 1414 C ARG A 90 10.358 -4.397 -1.689 1.00 0.00 C ATOM 1415 O ARG A 90 10.001 -3.567 -0.855 1.00 0.00 O ATOM 1416 CB ARG A 90 10.643 -6.721 -0.771 1.00 0.00 C ATOM 1417 CG ARG A 90 11.568 -7.915 -0.493 1.00 0.00 C ATOM 1418 CD ARG A 90 10.750 -9.166 -0.145 1.00 0.00 C ATOM 1419 NE ARG A 90 11.618 -10.321 0.142 1.00 0.00 N ATOM 1420 CZ ARG A 90 12.054 -10.718 1.329 1.00 0.00 C ATOM 1421 NH1 ARG A 90 11.789 -10.093 2.456 1.00 0.00 N ATOM 1422 NH2 ARG A 90 12.796 -11.788 1.431 1.00 0.00 N ATOM 0 H ARG A 90 11.894 -4.447 0.403 1.00 0.00 H new ATOM 0 HA ARG A 90 11.926 -5.782 -2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.132 -6.446 0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.875 -7.025 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.188 -8.112 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.242 -7.675 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.120 -8.960 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.084 -9.408 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 90 11.916 -10.876 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.216 -9.249 2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.156 -10.452 3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.041 -12.320 0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.130 -12.091 2.346 1.00 0.00 H new ATOM 1436 N LYS A 91 9.885 -4.391 -2.934 1.00 0.00 N ATOM 1437 CA LYS A 91 8.908 -3.423 -3.453 1.00 0.00 C ATOM 1438 C LYS A 91 7.504 -3.553 -2.829 1.00 0.00 C ATOM 1439 O LYS A 91 7.001 -4.664 -2.624 1.00 0.00 O ATOM 1440 CB LYS A 91 8.832 -3.583 -4.989 1.00 0.00 C ATOM 1441 CG LYS A 91 9.740 -2.617 -5.772 1.00 0.00 C ATOM 1442 CD LYS A 91 9.234 -1.165 -5.759 1.00 0.00 C ATOM 1443 CE LYS A 91 7.941 -0.974 -6.568 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.149 0.185 -6.078 1.00 0.00 N ATOM 0 H LYS A 91 10.176 -5.076 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 91 9.255 -2.428 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.100 -4.607 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.801 -3.433 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.744 -2.649 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.818 -2.958 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.061 -0.855 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.008 -0.512 -6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.188 -0.827 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.337 -1.879 -6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.627 0.609 -6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.476 -0.136 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.789 0.894 -5.666 1.00 0.00 H new ATOM 1458 N ILE A 92 6.840 -2.413 -2.610 1.00 0.00 N ATOM 1459 CA ILE A 92 5.410 -2.313 -2.255 1.00 0.00 C ATOM 1460 C ILE A 92 4.682 -1.422 -3.271 1.00 0.00 C ATOM 1461 O ILE A 92 5.316 -0.714 -4.058 1.00 0.00 O ATOM 1462 CB ILE A 92 5.179 -1.875 -0.782 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.502 -0.390 -0.562 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.971 -2.762 0.187 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.365 0.125 0.874 1.00 0.00 C ATOM 0 H ILE A 92 7.293 -1.502 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 92 4.976 -3.311 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 92 4.117 -2.005 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.524 -0.208 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.848 0.202 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.791 -2.434 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.650 -3.798 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.035 -2.686 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.618 1.185 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.339 -0.013 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.041 -0.430 1.525 1.00 0.00 H new ATOM 1477 N LYS A 93 3.350 -1.447 -3.247 1.00 0.00 N ATOM 1478 CA LYS A 93 2.473 -0.610 -4.073 1.00 0.00 C ATOM 1479 C LYS A 93 1.098 -0.395 -3.414 1.00 0.00 C ATOM 1480 O LYS A 93 0.743 -1.073 -2.444 1.00 0.00 O ATOM 1481 CB LYS A 93 2.337 -1.197 -5.501 1.00 0.00 C ATOM 1482 CG LYS A 93 1.468 -2.465 -5.563 1.00 0.00 C ATOM 1483 CD LYS A 93 1.168 -2.904 -7.001 1.00 0.00 C ATOM 1484 CE LYS A 93 0.315 -4.182 -6.978 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.319 -4.448 -8.294 1.00 0.00 N ATOM 0 H LYS A 93 2.831 -2.072 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 93 2.938 0.372 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.908 -0.440 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.330 -1.427 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.975 -3.275 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.530 -2.284 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.641 -2.111 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.098 -3.084 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.939 -5.030 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.458 -4.089 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.547 -5.460 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.192 -3.889 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.337 -4.182 -9.056 1.00 0.00 H new ATOM 1499 N ARG A 94 0.311 0.510 -3.999 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.105 0.730 -3.686 1.00 0.00 C ATOM 1501 C ARG A 94 -1.944 0.488 -4.946 1.00 0.00 C ATOM 1502 O ARG A 94 -1.542 0.865 -6.049 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.307 2.149 -3.131 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.508 2.376 -1.834 1.00 0.00 C ATOM 1505 CD ARG A 94 -0.702 3.784 -1.267 1.00 0.00 C ATOM 1506 NE ARG A 94 -2.038 3.957 -0.669 1.00 0.00 N ATOM 1507 CZ ARG A 94 -2.464 5.035 -0.021 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -1.698 6.093 0.145 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -3.682 5.060 0.471 1.00 0.00 N ATOM 0 H ARG A 94 0.653 1.133 -4.730 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.432 0.029 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.999 2.879 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.367 2.317 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.814 1.642 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.551 2.209 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.061 3.980 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.562 4.517 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.693 3.180 -0.761 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.749 6.099 -0.229 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.054 6.906 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.296 4.254 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.014 5.886 0.970 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.093 -0.160 -4.788 1.00 0.00 N ATOM 1524 CA ASP A 95 -3.985 -0.607 -5.866 1.00 0.00 C ATOM 1525 C ASP A 95 -5.466 -0.431 -5.485 1.00 0.00 C ATOM 1526 O ASP A 95 -5.787 0.061 -4.402 1.00 0.00 O ATOM 1527 CB ASP A 95 -3.681 -2.077 -6.221 1.00 0.00 C ATOM 1528 CG ASP A 95 -3.657 -2.310 -7.738 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -4.678 -2.012 -8.399 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -2.618 -2.793 -8.254 1.00 0.00 O ATOM 0 H ASP A 95 -3.450 -0.402 -3.864 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.801 0.016 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.718 -2.361 -5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.433 -2.722 -5.767 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.371 -0.844 -6.375 1.00 0.00 N ATOM 1536 CA ILE A 96 -7.823 -0.637 -6.277 1.00 0.00 C ATOM 1537 C ILE A 96 -8.560 -1.956 -6.521 1.00 0.00 C ATOM 1538 O ILE A 96 -8.242 -2.714 -7.439 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.286 0.435 -7.292 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -7.510 1.763 -7.162 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -9.800 0.709 -7.153 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -7.782 2.501 -5.851 1.00 0.00 C ATOM 0 H ILE A 96 -6.105 -1.352 -7.218 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.059 -0.284 -5.273 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.074 0.025 -8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.442 1.560 -7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.774 2.412 -7.997 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.101 1.466 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.355 -0.211 -7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.014 1.065 -6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.204 3.425 -5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.844 2.735 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.492 1.870 -5.011 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.572 -2.208 -5.695 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.488 -3.355 -5.835 1.00 0.00 C ATOM 1556 C ILE A 97 -11.657 -3.010 -6.770 1.00 0.00 C ATOM 1557 O ILE A 97 -12.180 -1.897 -6.728 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.009 -3.817 -4.460 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.878 -4.229 -3.497 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.007 -4.973 -4.613 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.369 -3.050 -2.661 1.00 0.00 C ATOM 0 H ILE A 97 -9.789 -1.616 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.928 -4.178 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.513 -2.956 -4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.238 -5.015 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.051 -4.650 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.360 -5.281 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.854 -4.645 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.517 -5.815 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.573 -3.390 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -8.983 -2.274 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.188 -2.645 -2.066 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.102 -3.984 -7.569 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.208 -3.831 -8.527 1.00 0.00 C ATOM 1575 C ASP A 98 -14.586 -4.301 -8.004 1.00 0.00 C ATOM 1576 O ASP A 98 -15.608 -3.764 -8.432 1.00 0.00 O ATOM 1577 CB ASP A 98 -12.818 -4.560 -9.823 1.00 0.00 C ATOM 1578 CG ASP A 98 -13.823 -4.351 -10.968 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -13.866 -3.234 -11.536 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -14.526 -5.323 -11.338 1.00 0.00 O ATOM 0 H ASP A 98 -11.698 -4.920 -7.570 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.347 -2.764 -8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.836 -4.214 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.729 -5.627 -9.618 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.593 -5.248 -7.052 1.00 0.00 N ATOM 1586 CA ILE A 99 -15.749 -5.871 -6.357 1.00 0.00 C ATOM 1587 C ILE A 99 -16.479 -6.904 -7.261 1.00 0.00 C ATOM 1588 O ILE A 99 -16.855 -6.568 -8.391 1.00 0.00 O ATOM 1589 CB ILE A 99 -16.730 -4.825 -5.756 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.039 -3.780 -4.846 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -17.900 -5.482 -5.000 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.499 -4.322 -3.515 1.00 0.00 C ATOM 0 H ILE A 99 -13.713 -5.638 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.337 -6.418 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.127 -4.294 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.213 -3.332 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.750 -2.982 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.555 -4.708 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.464 -6.117 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.510 -6.086 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.035 -3.511 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.320 -4.743 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.759 -5.097 -3.711 1.00 0.00 H new ATOM 1604 N PRO A 100 -16.694 -8.155 -6.794 1.00 0.00 N ATOM 1605 CA PRO A 100 -17.343 -9.215 -7.564 1.00 0.00 C ATOM 1606 C PRO A 100 -18.867 -9.051 -7.599 1.00 0.00 C ATOM 1607 O PRO A 100 -19.453 -8.290 -6.828 1.00 0.00 O ATOM 1608 CB PRO A 100 -16.949 -10.516 -6.855 1.00 0.00 C ATOM 1609 CG PRO A 100 -16.857 -10.089 -5.393 1.00 0.00 C ATOM 1610 CD PRO A 100 -16.291 -8.673 -5.492 1.00 0.00 C ATOM 0 HA PRO A 100 -17.027 -9.197 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -17.694 -11.298 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.000 -10.906 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -17.832 -10.102 -4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -16.204 -10.747 -4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.676 -8.045 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.205 -8.682 -5.397 1.00 0.00 H new ATOM 1618 N LYS A 101 -19.525 -9.838 -8.456 1.00 0.00 N ATOM 1619 CA LYS A 101 -20.995 -9.881 -8.574 1.00 0.00 C ATOM 1620 C LYS A 101 -21.724 -10.345 -7.291 1.00 0.00 C ATOM 1621 O LYS A 101 -22.922 -10.108 -7.130 1.00 0.00 O ATOM 1622 CB LYS A 101 -21.380 -10.727 -9.805 1.00 0.00 C ATOM 1623 CG LYS A 101 -21.005 -12.216 -9.684 1.00 0.00 C ATOM 1624 CD LYS A 101 -21.403 -12.983 -10.952 1.00 0.00 C ATOM 1625 CE LYS A 101 -21.019 -14.463 -10.816 1.00 0.00 C ATOM 1626 NZ LYS A 101 -21.385 -15.240 -12.028 1.00 0.00 N ATOM 0 H LYS A 101 -19.050 -10.473 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.340 -8.856 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -22.455 -10.646 -9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -20.892 -10.310 -10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -19.932 -12.313 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -21.504 -12.652 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.476 -12.892 -11.120 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -20.907 -12.549 -11.820 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -19.946 -14.546 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -21.518 -14.890 -9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -21.110 -16.235 -11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -22.412 -15.182 -12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -20.889 -14.848 -12.854 1.00 0.00 H new ATOM 1640 N LYS A 102 -20.995 -10.959 -6.350 1.00 0.00 N ATOM 1641 CA LYS A 102 -21.476 -11.348 -5.015 1.00 0.00 C ATOM 1642 C LYS A 102 -21.622 -10.149 -4.045 1.00 0.00 C ATOM 1643 O LYS A 102 -22.373 -10.226 -3.071 1.00 0.00 O ATOM 1644 CB LYS A 102 -20.515 -12.431 -4.482 1.00 0.00 C ATOM 1645 CG LYS A 102 -21.003 -13.111 -3.192 1.00 0.00 C ATOM 1646 CD LYS A 102 -20.064 -14.255 -2.787 1.00 0.00 C ATOM 1647 CE LYS A 102 -20.563 -14.912 -1.494 1.00 0.00 C ATOM 1648 NZ LYS A 102 -19.678 -16.026 -1.064 1.00 0.00 N ATOM 0 H LYS A 102 -20.018 -11.208 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 102 -22.488 -11.746 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -20.375 -13.190 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.540 -11.980 -4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.057 -12.377 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -22.011 -13.498 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.015 -14.996 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.053 -13.873 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.616 -14.164 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.575 -15.289 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.048 -16.445 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.647 -16.752 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.718 -15.662 -0.896 1.00 0.00 H new ATOM 1662 N GLY A 103 -20.976 -9.010 -4.327 1.00 0.00 N ATOM 1663 CA GLY A 103 -20.884 -7.808 -3.475 1.00 0.00 C ATOM 1664 C GLY A 103 -22.159 -6.953 -3.393 1.00 0.00 C ATOM 1665 O GLY A 103 -22.068 -5.726 -3.414 1.00 0.00 O ATOM 0 H GLY A 103 -20.473 -8.892 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -20.611 -8.119 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -20.072 -7.183 -3.846 1.00 0.00 H new ATOM 1669 N VAL A 104 -23.332 -7.582 -3.325 1.00 0.00 N ATOM 1670 CA VAL A 104 -24.650 -6.923 -3.251 1.00 0.00 C ATOM 1671 C VAL A 104 -24.909 -6.353 -1.846 1.00 0.00 C ATOM 1672 O VAL A 104 -24.500 -6.937 -0.843 1.00 0.00 O ATOM 1673 CB VAL A 104 -25.778 -7.882 -3.713 1.00 0.00 C ATOM 1674 CG1 VAL A 104 -26.047 -9.042 -2.736 1.00 0.00 C ATOM 1675 CG2 VAL A 104 -27.085 -7.126 -3.999 1.00 0.00 C ATOM 0 H VAL A 104 -23.401 -8.600 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 104 -24.647 -6.078 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 104 -25.409 -8.325 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -26.848 -9.669 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -25.142 -9.639 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -26.341 -8.640 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -27.851 -7.832 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -27.417 -6.617 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -26.916 -6.392 -4.786 1.00 0.00 H new ATOM 1685 N SER A 105 -25.592 -5.208 -1.769 1.00 0.00 N ATOM 1686 CA SER A 105 -25.856 -4.476 -0.514 1.00 0.00 C ATOM 1687 C SER A 105 -26.824 -5.188 0.459 1.00 0.00 C ATOM 1688 O SER A 105 -26.913 -4.809 1.630 1.00 0.00 O ATOM 1689 CB SER A 105 -26.411 -3.079 -0.842 1.00 0.00 C ATOM 1690 OG SER A 105 -25.571 -2.383 -1.759 1.00 0.00 O ATOM 0 H SER A 105 -25.987 -4.750 -2.590 1.00 0.00 H new ATOM 0 HA SER A 105 -24.897 -4.419 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 105 -27.411 -3.174 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 105 -26.506 -2.500 0.076 1.00 0.00 H new ATOM 0 HG SER A 105 -25.953 -1.500 -1.947 1.00 0.00 H new ATOM 1696 N GLY A 106 -27.538 -6.226 -0.001 1.00 0.00 N ATOM 1697 CA GLY A 106 -28.452 -7.048 0.802 1.00 0.00 C ATOM 1698 C GLY A 106 -29.270 -8.055 -0.025 1.00 0.00 C ATOM 1699 O GLY A 106 -29.251 -7.981 -1.260 1.00 0.00 O ATOM 0 H GLY A 106 -27.493 -6.525 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -27.875 -7.591 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -29.137 -6.393 1.341 1.00 0.00 H new ATOM 1703 N PRO A 107 -29.983 -8.992 0.631 1.00 0.00 N ATOM 1704 CA PRO A 107 -30.809 -10.000 -0.029 1.00 0.00 C ATOM 1705 C PRO A 107 -32.093 -9.384 -0.607 1.00 0.00 C ATOM 1706 O PRO A 107 -32.629 -8.412 -0.076 1.00 0.00 O ATOM 1707 CB PRO A 107 -31.114 -11.041 1.053 1.00 0.00 C ATOM 1708 CG PRO A 107 -31.111 -10.218 2.340 1.00 0.00 C ATOM 1709 CD PRO A 107 -30.027 -9.173 2.077 1.00 0.00 C ATOM 0 HA PRO A 107 -30.298 -10.448 -0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -32.077 -11.525 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -30.361 -11.829 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -32.081 -9.756 2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -30.878 -10.831 3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -30.260 -8.235 2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -29.062 -9.508 2.457 1.00 0.00 H new ATOM 1717 N SER A 108 -32.603 -9.973 -1.690 1.00 0.00 N ATOM 1718 CA SER A 108 -33.814 -9.535 -2.403 1.00 0.00 C ATOM 1719 C SER A 108 -34.334 -10.628 -3.356 1.00 0.00 C ATOM 1720 O SER A 108 -33.572 -11.475 -3.832 1.00 0.00 O ATOM 1721 CB SER A 108 -33.533 -8.239 -3.185 1.00 0.00 C ATOM 1722 OG SER A 108 -34.722 -7.723 -3.774 1.00 0.00 O ATOM 0 H SER A 108 -32.173 -10.796 -2.113 1.00 0.00 H new ATOM 0 HA SER A 108 -34.587 -9.344 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 108 -33.103 -7.494 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 108 -32.794 -8.434 -3.962 1.00 0.00 H new ATOM 0 HG SER A 108 -34.514 -6.899 -4.263 1.00 0.00 H new ATOM 1728 N SER A 109 -35.636 -10.618 -3.657 1.00 0.00 N ATOM 1729 CA SER A 109 -36.285 -11.562 -4.585 1.00 0.00 C ATOM 1730 C SER A 109 -36.131 -11.176 -6.074 1.00 0.00 C ATOM 1731 O SER A 109 -36.512 -11.954 -6.954 1.00 0.00 O ATOM 1732 CB SER A 109 -37.781 -11.685 -4.239 1.00 0.00 C ATOM 1733 OG SER A 109 -38.004 -11.996 -2.866 1.00 0.00 O ATOM 0 H SER A 109 -36.286 -9.941 -3.256 1.00 0.00 H new ATOM 0 HA SER A 109 -35.776 -12.517 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 109 -38.284 -10.749 -4.482 1.00 0.00 H new ATOM 0 HB3 SER A 109 -38.231 -12.459 -4.860 1.00 0.00 H new ATOM 0 HG SER A 109 -38.967 -12.061 -2.698 1.00 0.00 H new ATOM 1739 N GLY A 110 -35.577 -9.991 -6.372 1.00 0.00 N ATOM 1740 CA GLY A 110 -35.360 -9.477 -7.734 1.00 0.00 C ATOM 1741 C GLY A 110 -34.741 -8.078 -7.755 1.00 0.00 C ATOM 1742 O GLY A 110 -35.508 -7.091 -7.789 1.00 0.00 O ATOM 1743 OXT GLY A 110 -33.494 -7.982 -7.745 1.00 0.00 O ATOM 0 H GLY A 110 -35.258 -9.344 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -34.710 -10.164 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -36.312 -9.455 -8.264 1.00 0.00 H new TER 1747 GLY A 110 HETATM 1748 PG ATP A 201 13.565 -15.011 0.020 1.00 0.00 P HETATM 1749 O1G ATP A 201 14.942 -15.551 0.019 1.00 0.00 O HETATM 1750 O2G ATP A 201 12.566 -15.948 -0.542 1.00 0.00 O HETATM 1751 O3G ATP A 201 13.446 -13.635 -0.516 1.00 0.00 O HETATM 1752 PB ATP A 201 13.782 -14.762 2.905 1.00 0.00 P HETATM 1753 O1B ATP A 201 14.960 -13.855 2.863 1.00 0.00 O HETATM 1754 O2B ATP A 201 13.940 -16.137 3.460 1.00 0.00 O HETATM 1755 O3B ATP A 201 13.133 -14.874 1.497 1.00 0.00 O HETATM 1756 PA ATP A 201 12.807 -13.012 4.770 1.00 0.00 P HETATM 1757 O1A ATP A 201 13.253 -11.727 4.176 1.00 0.00 O HETATM 1758 O2A ATP A 201 13.550 -13.548 5.931 1.00 0.00 O HETATM 1759 O3A ATP A 201 12.622 -14.076 3.676 1.00 0.00 O HETATM 1760 O5' ATP A 201 11.301 -12.773 5.243 1.00 0.00 O HETATM 1761 C5' ATP A 201 10.665 -13.645 6.171 1.00 0.00 C HETATM 1762 C4' ATP A 201 9.161 -13.809 5.907 1.00 0.00 C HETATM 1763 O4' ATP A 201 8.480 -12.554 5.981 1.00 0.00 O HETATM 1764 C3' ATP A 201 8.877 -14.428 4.526 1.00 0.00 C HETATM 1765 O3' ATP A 201 7.868 -15.432 4.640 1.00 0.00 O HETATM 1766 C2' ATP A 201 8.374 -13.209 3.744 1.00 0.00 C HETATM 1767 O2' ATP A 201 7.543 -13.525 2.628 1.00 0.00 O HETATM 1768 C1' ATP A 201 7.628 -12.462 4.851 1.00 0.00 C HETATM 1769 N9 ATP A 201 7.317 -11.058 4.502 1.00 0.00 N HETATM 1770 C8 ATP A 201 8.053 -10.182 3.741 1.00 0.00 C HETATM 1771 N7 ATP A 201 7.450 -9.056 3.477 1.00 0.00 N HETATM 1772 C5 ATP A 201 6.228 -9.182 4.152 1.00 0.00 C HETATM 1773 C6 ATP A 201 5.098 -8.346 4.341 1.00 0.00 C HETATM 1774 N6 ATP A 201 4.935 -7.148 3.827 1.00 0.00 N HETATM 1775 N1 ATP A 201 4.093 -8.712 5.133 1.00 0.00 N HETATM 1776 C2 ATP A 201 4.171 -9.899 5.711 1.00 0.00 C HETATM 1777 N3 ATP A 201 5.135 -10.810 5.607 1.00 0.00 N HETATM 1778 C4 ATP A 201 6.151 -10.386 4.801 1.00 0.00 C HETATM 0 HO3' ATP A 201 7.165 -15.266 3.978 1.00 0.00 H new HETATM 0 HO2' ATP A 201 7.263 -12.697 2.184 1.00 0.00 H new HETATM 0 HN62 ATP A 201 4.083 -6.621 4.021 1.00 0.00 H new HETATM 0 HN61 ATP A 201 5.660 -6.745 3.234 1.00 0.00 H new HETATM 0 H5'2 ATP A 201 11.144 -14.623 6.129 1.00 0.00 H new HETATM 0 H5'1 ATP A 201 10.811 -13.261 7.181 1.00 0.00 H new HETATM 0 H8 ATP A 201 9.058 -10.410 3.387 1.00 0.00 H new HETATM 0 H4' ATP A 201 8.794 -14.481 6.683 1.00 0.00 H new HETATM 0 H3' ATP A 201 9.728 -14.923 4.059 1.00 0.00 H new HETATM 0 H2' ATP A 201 9.170 -12.643 3.260 1.00 0.00 H new HETATM 0 H2 ATP A 201 3.335 -10.166 6.358 1.00 0.00 H new HETATM 0 H1' ATP A 201 6.648 -12.903 5.033 1.00 0.00 H new