USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00479) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0922 (180deg=-0.357) USER MOD Single : A 4 THR OG1 : rot 48:sc= 0.493! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.829 X(o=-0.83,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ -109:sc= -1.98 (180deg=-4.44!) USER MOD Single : A 29 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-6.5!) USER MOD Single : A 37 THR OG1 : rot -29:sc= 0.461 USER MOD Single : A 43 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.013) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.64) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 67 THR OG1 : rot -5:sc= -0.252 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -160:sc= 0 (180deg=-0.367) USER MOD Single : A 88 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.5!) USER MOD Single : A 89 LYS NZ :NH3+ 131:sc= -0.0645 (180deg=-0.565) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.204 -15.207 -10.352 1.00 0.00 N ATOM 2 CA MET A 1 -4.680 -16.528 -9.906 1.00 0.00 C ATOM 3 C MET A 1 -3.164 -16.448 -9.773 1.00 0.00 C ATOM 4 O MET A 1 -2.538 -15.507 -10.259 1.00 0.00 O ATOM 5 CB MET A 1 -5.063 -17.597 -10.931 1.00 0.00 C ATOM 6 CG MET A 1 -6.584 -17.783 -10.933 1.00 0.00 C ATOM 7 SD MET A 1 -7.043 -19.108 -12.084 1.00 0.00 S ATOM 8 CE MET A 1 -7.052 -18.134 -13.612 1.00 0.00 C ATOM 0 H1 MET A 1 -5.952 -14.893 -9.702 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.432 -14.510 -10.354 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.594 -15.294 -11.312 1.00 0.00 H new ATOM 0 HA MET A 1 -5.110 -16.791 -8.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.721 -17.303 -11.923 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.571 -18.539 -10.690 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.931 -18.026 -9.929 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.072 -16.853 -11.223 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.350 -18.769 -14.446 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.757 -17.309 -13.513 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.054 -17.738 -13.797 1.00 0.00 H new ATOM 20 N GLU A 2 -2.576 -17.442 -9.108 1.00 0.00 N ATOM 21 CA GLU A 2 -1.126 -17.477 -8.910 1.00 0.00 C ATOM 22 C GLU A 2 -0.600 -16.107 -8.468 1.00 0.00 C ATOM 23 O GLU A 2 0.026 -15.396 -9.252 1.00 0.00 O ATOM 24 CB GLU A 2 -0.430 -17.893 -10.209 1.00 0.00 C ATOM 25 CG GLU A 2 -0.956 -19.258 -10.667 1.00 0.00 C ATOM 26 CD GLU A 2 -0.517 -20.345 -9.690 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.678 -20.483 -9.487 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.383 -21.021 -9.159 1.00 0.00 O ATOM 0 H GLU A 2 -3.078 -18.230 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.909 -18.204 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.608 -17.146 -10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.648 -17.942 -10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.044 -19.234 -10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.582 -19.484 -11.666 1.00 0.00 H new ATOM 35 N PRO A 3 -0.848 -15.725 -7.236 1.00 0.00 N ATOM 36 CA PRO A 3 -0.388 -14.406 -6.699 1.00 0.00 C ATOM 37 C PRO A 3 1.131 -14.245 -6.797 1.00 0.00 C ATOM 38 O PRO A 3 1.882 -15.200 -6.593 1.00 0.00 O ATOM 39 CB PRO A 3 -0.869 -14.420 -5.226 1.00 0.00 C ATOM 40 CG PRO A 3 -1.985 -15.425 -5.198 1.00 0.00 C ATOM 41 CD PRO A 3 -1.592 -16.493 -6.221 1.00 0.00 C ATOM 0 HA PRO A 3 -0.789 -13.565 -7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.063 -14.704 -4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.215 -13.435 -4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.101 -15.856 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.937 -14.963 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.976 -17.273 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.467 -16.984 -6.648 1.00 0.00 H new ATOM 49 N THR A 4 1.574 -13.025 -7.105 1.00 0.00 N ATOM 50 CA THR A 4 3.004 -12.735 -7.224 1.00 0.00 C ATOM 51 C THR A 4 3.592 -12.429 -5.850 1.00 0.00 C ATOM 52 O THR A 4 3.266 -11.412 -5.238 1.00 0.00 O ATOM 53 CB THR A 4 3.210 -11.531 -8.148 1.00 0.00 C ATOM 54 OG1 THR A 4 2.788 -10.349 -7.483 1.00 0.00 O ATOM 55 CG2 THR A 4 2.389 -11.716 -9.426 1.00 0.00 C ATOM 0 H THR A 4 0.966 -12.224 -7.276 1.00 0.00 H new ATOM 0 HA THR A 4 3.509 -13.606 -7.642 1.00 0.00 H new ATOM 0 HB THR A 4 4.266 -11.449 -8.406 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.163 -10.331 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.538 -10.858 -10.081 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.711 -12.623 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.333 -11.799 -9.171 1.00 0.00 H new ATOM 63 N ALA A 5 4.460 -13.316 -5.369 1.00 0.00 N ATOM 64 CA ALA A 5 5.089 -13.136 -4.062 1.00 0.00 C ATOM 65 C ALA A 5 6.189 -12.083 -4.136 1.00 0.00 C ATOM 66 O ALA A 5 7.250 -12.320 -4.714 1.00 0.00 O ATOM 67 CB ALA A 5 5.685 -14.462 -3.587 1.00 0.00 C ATOM 0 H ALA A 5 4.743 -14.163 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 5 4.329 -12.802 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.153 -14.322 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.895 -15.208 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.433 -14.802 -4.303 1.00 0.00 H new ATOM 73 N PHE A 6 5.929 -10.917 -3.546 1.00 0.00 N ATOM 74 CA PHE A 6 6.902 -9.824 -3.545 1.00 0.00 C ATOM 75 C PHE A 6 7.935 -10.036 -2.441 1.00 0.00 C ATOM 76 O PHE A 6 7.589 -10.385 -1.312 1.00 0.00 O ATOM 77 CB PHE A 6 6.173 -8.492 -3.320 1.00 0.00 C ATOM 78 CG PHE A 6 5.302 -8.182 -4.523 1.00 0.00 C ATOM 79 CD1 PHE A 6 3.988 -8.668 -4.581 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.808 -7.414 -5.581 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.184 -8.384 -5.692 1.00 0.00 C ATOM 82 CE2 PHE A 6 5.003 -7.131 -6.690 1.00 0.00 C ATOM 83 CZ PHE A 6 3.692 -7.615 -6.745 1.00 0.00 C ATOM 0 H PHE A 6 5.056 -10.705 -3.064 1.00 0.00 H new ATOM 0 HA PHE A 6 7.415 -9.804 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.561 -8.548 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.896 -7.691 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.596 -9.262 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.820 -7.040 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.172 -8.758 -5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.394 -6.539 -7.504 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.071 -7.395 -7.601 1.00 0.00 H new ATOM 93 N SER A 7 9.209 -9.822 -2.776 1.00 0.00 N ATOM 94 CA SER A 7 10.302 -9.991 -1.813 1.00 0.00 C ATOM 95 C SER A 7 10.606 -8.675 -1.107 1.00 0.00 C ATOM 96 O SER A 7 9.989 -7.649 -1.390 1.00 0.00 O ATOM 97 CB SER A 7 11.558 -10.473 -2.538 1.00 0.00 C ATOM 98 OG SER A 7 11.269 -11.688 -3.218 1.00 0.00 O ATOM 0 H SER A 7 9.510 -9.531 -3.706 1.00 0.00 H new ATOM 0 HA SER A 7 9.995 -10.728 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.896 -9.717 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.368 -10.625 -1.825 1.00 0.00 H new ATOM 0 HG SER A 7 12.072 -12.000 -3.686 1.00 0.00 H new ATOM 104 N GLY A 8 11.561 -8.711 -0.188 1.00 0.00 N ATOM 105 CA GLY A 8 11.944 -7.516 0.551 1.00 0.00 C ATOM 106 C GLY A 8 12.575 -6.477 -0.371 1.00 0.00 C ATOM 107 O GLY A 8 12.439 -5.273 -0.154 1.00 0.00 O ATOM 0 H GLY A 8 12.083 -9.551 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.067 -7.089 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.648 -7.782 1.339 1.00 0.00 H new ATOM 111 N SER A 9 13.284 -6.954 -1.391 1.00 0.00 N ATOM 112 CA SER A 9 13.960 -6.066 -2.337 1.00 0.00 C ATOM 113 C SER A 9 12.962 -5.350 -3.239 1.00 0.00 C ATOM 114 O SER A 9 13.277 -4.317 -3.829 1.00 0.00 O ATOM 115 CB SER A 9 14.937 -6.875 -3.191 1.00 0.00 C ATOM 116 OG SER A 9 15.666 -5.991 -4.034 1.00 0.00 O ATOM 0 H SER A 9 13.406 -7.948 -1.585 1.00 0.00 H new ATOM 0 HA SER A 9 14.501 -5.311 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.621 -7.433 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.395 -7.605 -3.792 1.00 0.00 H new ATOM 0 HG SER A 9 16.295 -6.506 -4.582 1.00 0.00 H new ATOM 122 N ASP A 10 11.760 -5.902 -3.353 1.00 0.00 N ATOM 123 CA ASP A 10 10.734 -5.298 -4.197 1.00 0.00 C ATOM 124 C ASP A 10 10.228 -4.024 -3.541 1.00 0.00 C ATOM 125 O ASP A 10 9.827 -4.040 -2.376 1.00 0.00 O ATOM 126 CB ASP A 10 9.598 -6.294 -4.395 1.00 0.00 C ATOM 127 CG ASP A 10 10.099 -7.488 -5.205 1.00 0.00 C ATOM 128 OD1 ASP A 10 11.128 -7.354 -5.850 1.00 0.00 O ATOM 129 OD2 ASP A 10 9.449 -8.517 -5.168 1.00 0.00 O ATOM 0 H ASP A 10 11.473 -6.758 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 10 11.150 -5.044 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.222 -6.629 -3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.766 -5.815 -4.911 1.00 0.00 H new ATOM 134 N VAL A 11 10.288 -2.908 -4.278 1.00 0.00 N ATOM 135 CA VAL A 11 9.877 -1.600 -3.733 1.00 0.00 C ATOM 136 C VAL A 11 8.460 -1.147 -4.203 1.00 0.00 C ATOM 137 O VAL A 11 8.255 -0.909 -5.392 1.00 0.00 O ATOM 138 CB VAL A 11 10.918 -0.532 -4.133 1.00 0.00 C ATOM 139 CG1 VAL A 11 12.264 -0.872 -3.476 1.00 0.00 C ATOM 140 CG2 VAL A 11 11.091 -0.468 -5.666 1.00 0.00 C ATOM 0 H VAL A 11 10.613 -2.879 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 11 9.825 -1.711 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 11 10.567 0.442 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.004 -0.122 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.148 -0.883 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.597 -1.853 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.830 0.293 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.428 -1.437 -6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.138 -0.215 -6.129 1.00 0.00 H new ATOM 150 N PRO A 12 7.474 -0.995 -3.314 1.00 0.00 N ATOM 151 CA PRO A 12 6.102 -0.519 -3.730 1.00 0.00 C ATOM 152 C PRO A 12 6.109 0.864 -4.412 1.00 0.00 C ATOM 153 O PRO A 12 6.852 1.762 -4.008 1.00 0.00 O ATOM 154 CB PRO A 12 5.308 -0.464 -2.389 1.00 0.00 C ATOM 155 CG PRO A 12 6.360 -0.405 -1.323 1.00 0.00 C ATOM 156 CD PRO A 12 7.500 -1.273 -1.855 1.00 0.00 C ATOM 0 HA PRO A 12 5.667 -1.184 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.657 0.409 -2.351 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.672 -1.341 -2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.690 0.619 -1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.983 -0.785 -0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.457 -1.002 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.337 -2.329 -1.642 1.00 0.00 H new ATOM 164 N ARG A 13 5.230 1.021 -5.420 1.00 0.00 N ATOM 165 CA ARG A 13 5.067 2.297 -6.131 1.00 0.00 C ATOM 166 C ARG A 13 3.696 2.336 -6.804 1.00 0.00 C ATOM 167 O ARG A 13 3.369 1.470 -7.624 1.00 0.00 O ATOM 168 CB ARG A 13 6.162 2.503 -7.177 1.00 0.00 C ATOM 169 CG ARG A 13 6.002 3.897 -7.809 1.00 0.00 C ATOM 170 CD ARG A 13 7.195 4.210 -8.710 1.00 0.00 C ATOM 171 NE ARG A 13 7.257 3.258 -9.816 1.00 0.00 N ATOM 172 CZ ARG A 13 6.484 3.389 -10.893 1.00 0.00 C ATOM 173 NH1 ARG A 13 6.568 2.519 -11.858 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.645 4.385 -10.982 1.00 0.00 N ATOM 0 H ARG A 13 4.622 0.276 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 13 5.147 3.103 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.145 2.411 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.097 1.733 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.080 3.938 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.921 4.651 -7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.110 5.225 -9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.118 4.167 -8.132 1.00 0.00 H new ATOM 0 HE ARG A 13 7.908 2.474 -9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.224 1.741 -11.788 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.978 2.615 -12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.580 5.066 -10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.055 4.482 -11.808 1.00 0.00 H new ATOM 188 N LEU A 14 2.892 3.341 -6.452 1.00 0.00 N ATOM 189 CA LEU A 14 1.553 3.482 -7.017 1.00 0.00 C ATOM 190 C LEU A 14 1.631 3.806 -8.524 1.00 0.00 C ATOM 191 O LEU A 14 2.249 4.804 -8.898 1.00 0.00 O ATOM 192 CB LEU A 14 0.803 4.608 -6.291 1.00 0.00 C ATOM 193 CG LEU A 14 0.857 4.386 -4.768 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.177 5.565 -4.058 1.00 0.00 C ATOM 195 CD2 LEU A 14 0.144 3.063 -4.390 1.00 0.00 C ATOM 0 H LEU A 14 3.145 4.066 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 14 1.020 2.540 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.247 5.571 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.234 4.639 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 14 1.899 4.321 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.214 5.411 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.696 6.490 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.862 5.633 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.191 2.920 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.898 3.108 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.638 2.228 -4.888 1.00 0.00 H new ATOM 207 N PRO A 15 1.042 3.007 -9.400 1.00 0.00 N ATOM 208 CA PRO A 15 1.096 3.270 -10.867 1.00 0.00 C ATOM 209 C PRO A 15 0.115 4.364 -11.282 1.00 0.00 C ATOM 210 O PRO A 15 -0.833 4.671 -10.564 1.00 0.00 O ATOM 211 CB PRO A 15 0.729 1.909 -11.482 1.00 0.00 C ATOM 212 CG PRO A 15 -0.224 1.310 -10.495 1.00 0.00 C ATOM 213 CD PRO A 15 0.258 1.781 -9.112 1.00 0.00 C ATOM 0 HA PRO A 15 2.068 3.635 -11.198 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.267 2.026 -12.462 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.610 1.282 -11.617 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.245 1.640 -10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.223 0.222 -10.560 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.580 1.991 -8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.869 1.022 -8.623 1.00 0.00 H new ATOM 221 N ARG A 16 0.347 4.946 -12.450 1.00 0.00 N ATOM 222 CA ARG A 16 -0.526 5.998 -12.958 1.00 0.00 C ATOM 223 C ARG A 16 -1.979 5.534 -12.974 1.00 0.00 C ATOM 224 O ARG A 16 -2.257 4.344 -13.124 1.00 0.00 O ATOM 225 CB ARG A 16 -0.091 6.383 -14.374 1.00 0.00 C ATOM 226 CG ARG A 16 -0.204 5.163 -15.297 1.00 0.00 C ATOM 227 CD ARG A 16 0.367 5.506 -16.672 1.00 0.00 C ATOM 228 NE ARG A 16 -0.473 6.499 -17.328 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.178 6.959 -18.539 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.948 7.849 -19.102 1.00 0.00 N ATOM 231 NH2 ARG A 16 0.879 6.521 -19.165 1.00 0.00 N ATOM 0 H ARG A 16 1.128 4.710 -13.062 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.448 6.864 -12.301 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.715 7.194 -14.749 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.936 6.749 -14.363 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.336 4.319 -14.868 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.247 4.860 -15.390 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.382 5.889 -16.568 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.427 4.606 -17.285 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.303 6.848 -16.849 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.775 8.191 -18.612 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.723 8.203 -20.032 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.480 5.824 -18.725 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.104 6.875 -20.095 1.00 0.00 H new ATOM 245 N GLY A 17 -2.902 6.479 -12.827 1.00 0.00 N ATOM 246 CA GLY A 17 -4.329 6.160 -12.835 1.00 0.00 C ATOM 247 C GLY A 17 -4.786 5.668 -11.466 1.00 0.00 C ATOM 248 O GLY A 17 -5.930 5.245 -11.302 1.00 0.00 O ATOM 0 H GLY A 17 -2.691 7.469 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.901 7.044 -13.118 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.530 5.396 -13.586 1.00 0.00 H new ATOM 252 N VAL A 18 -3.883 5.734 -10.482 1.00 0.00 N ATOM 253 CA VAL A 18 -4.190 5.302 -9.109 1.00 0.00 C ATOM 254 C VAL A 18 -3.794 6.395 -8.124 1.00 0.00 C ATOM 255 O VAL A 18 -2.654 6.858 -8.119 1.00 0.00 O ATOM 256 CB VAL A 18 -3.417 4.022 -8.784 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.802 3.521 -7.388 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.744 2.951 -9.829 1.00 0.00 C ATOM 0 H VAL A 18 -2.933 6.082 -10.608 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.260 5.110 -9.028 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.347 4.231 -8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.248 2.610 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.561 4.284 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.871 3.312 -7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.194 2.038 -9.599 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.814 2.743 -9.815 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.457 3.308 -10.818 1.00 0.00 H new ATOM 268 N ARG A 19 -4.747 6.802 -7.286 1.00 0.00 N ATOM 269 CA ARG A 19 -4.514 7.845 -6.280 1.00 0.00 C ATOM 270 C ARG A 19 -5.175 7.454 -4.963 1.00 0.00 C ATOM 271 O ARG A 19 -6.094 6.636 -4.939 1.00 0.00 O ATOM 272 CB ARG A 19 -5.081 9.184 -6.769 1.00 0.00 C ATOM 273 CG ARG A 19 -4.265 9.680 -7.966 1.00 0.00 C ATOM 274 CD ARG A 19 -4.888 10.964 -8.509 1.00 0.00 C ATOM 275 NE ARG A 19 -4.852 12.007 -7.490 1.00 0.00 N ATOM 276 CZ ARG A 19 -5.443 13.181 -7.686 1.00 0.00 C ATOM 277 NH1 ARG A 19 -5.395 14.097 -6.757 1.00 0.00 N ATOM 278 NH2 ARG A 19 -6.073 13.417 -8.803 1.00 0.00 N ATOM 0 H ARG A 19 -5.694 6.424 -7.282 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.440 7.950 -6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.127 9.066 -7.053 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.050 9.919 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.233 9.862 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.241 8.917 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.348 11.293 -9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.918 10.777 -8.814 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.364 11.832 -6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.904 13.911 -5.882 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.848 14.999 -6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.113 12.700 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.526 14.318 -8.952 1.00 0.00 H new ATOM 292 N LEU A 20 -4.695 8.040 -3.866 1.00 0.00 N ATOM 293 CA LEU A 20 -5.238 7.745 -2.537 1.00 0.00 C ATOM 294 C LEU A 20 -6.312 8.765 -2.170 1.00 0.00 C ATOM 295 O LEU A 20 -6.003 9.897 -1.796 1.00 0.00 O ATOM 296 CB LEU A 20 -4.107 7.799 -1.495 1.00 0.00 C ATOM 297 CG LEU A 20 -2.876 7.031 -2.002 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.795 7.051 -0.917 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.251 5.576 -2.340 1.00 0.00 C ATOM 0 H LEU A 20 -3.934 8.719 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.680 6.749 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.839 8.836 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.450 7.369 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.501 7.509 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.917 6.508 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.520 8.082 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.178 6.577 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.368 5.046 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.634 5.082 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.017 5.568 -3.115 1.00 0.00 H new ATOM 311 N ARG A 21 -7.576 8.353 -2.268 1.00 0.00 N ATOM 312 CA ARG A 21 -8.702 9.230 -1.934 1.00 0.00 C ATOM 313 C ARG A 21 -9.105 9.034 -0.478 1.00 0.00 C ATOM 314 O ARG A 21 -9.133 7.910 0.022 1.00 0.00 O ATOM 315 CB ARG A 21 -9.898 8.917 -2.842 1.00 0.00 C ATOM 316 CG ARG A 21 -9.568 9.317 -4.281 1.00 0.00 C ATOM 317 CD ARG A 21 -10.769 9.018 -5.179 1.00 0.00 C ATOM 318 NE ARG A 21 -10.473 9.410 -6.554 1.00 0.00 N ATOM 319 CZ ARG A 21 -11.433 9.502 -7.470 1.00 0.00 C ATOM 320 NH1 ARG A 21 -11.136 9.856 -8.690 1.00 0.00 N ATOM 321 NH2 ARG A 21 -12.670 9.240 -7.148 1.00 0.00 N ATOM 0 H ARG A 21 -7.847 7.419 -2.575 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.395 10.265 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.135 7.854 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.780 9.456 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.320 10.377 -4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.693 8.769 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.009 7.955 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.646 9.556 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.510 9.618 -6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.169 10.062 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.871 9.927 -9.394 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.901 8.965 -6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.406 9.311 -7.851 1.00 0.00 H new ATOM 335 N PHE A 22 -9.423 10.140 0.197 1.00 0.00 N ATOM 336 CA PHE A 22 -9.837 10.099 1.604 1.00 0.00 C ATOM 337 C PHE A 22 -11.349 10.260 1.708 1.00 0.00 C ATOM 338 O PHE A 22 -11.901 11.296 1.338 1.00 0.00 O ATOM 339 CB PHE A 22 -9.138 11.219 2.377 1.00 0.00 C ATOM 340 CG PHE A 22 -9.510 12.558 1.776 1.00 0.00 C ATOM 341 CD1 PHE A 22 -10.516 13.343 2.357 1.00 0.00 C ATOM 342 CD2 PHE A 22 -8.846 13.008 0.631 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.854 14.578 1.791 1.00 0.00 C ATOM 344 CE2 PHE A 22 -9.185 14.243 0.064 1.00 0.00 C ATOM 345 CZ PHE A 22 -10.188 15.028 0.645 1.00 0.00 C ATOM 0 H PHE A 22 -9.402 11.077 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.556 9.137 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.429 11.187 3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.057 11.080 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.030 12.995 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.071 12.403 0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -11.628 15.183 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.673 14.590 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.448 15.981 0.209 1.00 0.00 H new ATOM 355 N ASP A 23 -12.019 9.222 2.208 1.00 0.00 N ATOM 356 CA ASP A 23 -13.475 9.247 2.357 1.00 0.00 C ATOM 357 C ASP A 23 -13.848 9.855 3.703 1.00 0.00 C ATOM 358 O ASP A 23 -13.880 9.162 4.721 1.00 0.00 O ATOM 359 CB ASP A 23 -14.029 7.825 2.263 1.00 0.00 C ATOM 360 CG ASP A 23 -13.789 7.262 0.865 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.610 8.052 -0.047 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.786 6.050 0.729 1.00 0.00 O ATOM 0 H ASP A 23 -11.579 8.355 2.516 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.904 9.854 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.549 7.189 3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.096 7.826 2.485 1.00 0.00 H new ATOM 367 N GLU A 24 -14.125 11.153 3.702 1.00 0.00 N ATOM 368 CA GLU A 24 -14.487 11.848 4.930 1.00 0.00 C ATOM 369 C GLU A 24 -15.762 11.256 5.520 1.00 0.00 C ATOM 370 O GLU A 24 -15.914 11.177 6.740 1.00 0.00 O ATOM 371 CB GLU A 24 -14.690 13.339 4.641 1.00 0.00 C ATOM 372 CG GLU A 24 -14.906 14.097 5.953 1.00 0.00 C ATOM 373 CD GLU A 24 -15.019 15.593 5.677 1.00 0.00 C ATOM 374 OE1 GLU A 24 -15.754 15.954 4.773 1.00 0.00 O ATOM 375 OE2 GLU A 24 -14.369 16.353 6.374 1.00 0.00 O ATOM 0 H GLU A 24 -14.106 11.742 2.870 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.680 11.727 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.821 13.739 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.549 13.478 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.811 13.740 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.077 13.906 6.634 1.00 0.00 H new ATOM 382 N VAL A 25 -16.677 10.845 4.649 1.00 0.00 N ATOM 383 CA VAL A 25 -17.938 10.266 5.101 1.00 0.00 C ATOM 384 C VAL A 25 -17.688 8.959 5.862 1.00 0.00 C ATOM 385 O VAL A 25 -18.289 8.719 6.907 1.00 0.00 O ATOM 386 CB VAL A 25 -18.875 10.021 3.891 1.00 0.00 C ATOM 387 CG1 VAL A 25 -19.508 11.346 3.440 1.00 0.00 C ATOM 388 CG2 VAL A 25 -18.077 9.429 2.717 1.00 0.00 C ATOM 0 H VAL A 25 -16.572 10.901 3.636 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.421 10.968 5.780 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.656 9.323 4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.165 11.164 2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.086 11.771 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.723 12.044 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.744 9.260 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.290 10.124 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.631 8.482 3.021 1.00 0.00 H new ATOM 398 N ARG A 26 -16.797 8.123 5.332 1.00 0.00 N ATOM 399 CA ARG A 26 -16.463 6.841 5.966 1.00 0.00 C ATOM 400 C ARG A 26 -15.264 7.003 6.903 1.00 0.00 C ATOM 401 O ARG A 26 -14.910 6.080 7.638 1.00 0.00 O ATOM 402 CB ARG A 26 -16.149 5.807 4.876 1.00 0.00 C ATOM 403 CG ARG A 26 -17.428 5.431 4.124 1.00 0.00 C ATOM 404 CD ARG A 26 -17.084 4.461 2.992 1.00 0.00 C ATOM 405 NE ARG A 26 -18.290 4.085 2.264 1.00 0.00 N ATOM 406 CZ ARG A 26 -18.223 3.354 1.155 1.00 0.00 C ATOM 407 NH1 ARG A 26 -19.317 3.030 0.521 1.00 0.00 N ATOM 408 NH2 ARG A 26 -17.065 2.961 0.700 1.00 0.00 N ATOM 0 H ARG A 26 -16.291 8.307 4.465 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.313 6.500 6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.414 6.212 4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.706 4.917 5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -18.143 4.972 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.902 6.326 3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.370 4.924 2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.605 3.571 3.400 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.200 4.388 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -20.222 3.337 0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.266 2.469 -0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.210 3.214 1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.015 2.400 -0.151 1.00 0.00 H new ATOM 422 N ASN A 27 -14.647 8.182 6.873 1.00 0.00 N ATOM 423 CA ASN A 27 -13.494 8.464 7.726 1.00 0.00 C ATOM 424 C ASN A 27 -12.388 7.431 7.523 1.00 0.00 C ATOM 425 O ASN A 27 -11.704 7.047 8.472 1.00 0.00 O ATOM 426 CB ASN A 27 -13.920 8.466 9.196 1.00 0.00 C ATOM 427 CG ASN A 27 -12.761 8.926 10.075 1.00 0.00 C ATOM 428 OD1 ASN A 27 -12.197 8.131 10.826 1.00 0.00 O ATOM 429 ND2 ASN A 27 -12.369 10.169 10.023 1.00 0.00 N ATOM 0 H ASN A 27 -14.925 8.956 6.269 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.107 9.445 7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.776 9.126 9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.237 7.466 9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.593 10.484 10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.838 10.826 9.400 1.00 0.00 H new ATOM 436 N LYS A 28 -12.209 6.990 6.278 1.00 0.00 N ATOM 437 CA LYS A 28 -11.172 6.003 5.947 1.00 0.00 C ATOM 438 C LYS A 28 -10.599 6.290 4.563 1.00 0.00 C ATOM 439 O LYS A 28 -11.244 6.938 3.739 1.00 0.00 O ATOM 440 CB LYS A 28 -11.766 4.585 5.992 1.00 0.00 C ATOM 441 CG LYS A 28 -12.774 4.392 4.844 1.00 0.00 C ATOM 442 CD LYS A 28 -13.626 3.136 5.089 1.00 0.00 C ATOM 443 CE LYS A 28 -12.738 1.880 5.131 1.00 0.00 C ATOM 444 NZ LYS A 28 -12.108 1.769 6.476 1.00 0.00 N ATOM 0 H LYS A 28 -12.766 7.298 5.481 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.368 6.073 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.968 3.846 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.259 4.420 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.419 5.268 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.243 4.301 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.169 3.236 6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.371 3.035 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.334 0.992 4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.970 1.938 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.092 1.976 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.553 2.449 7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.239 0.804 6.842 1.00 0.00 H new ATOM 458 N HIS A 29 -9.388 5.799 4.309 1.00 0.00 N ATOM 459 CA HIS A 29 -8.736 6.002 3.012 1.00 0.00 C ATOM 460 C HIS A 29 -9.012 4.821 2.098 1.00 0.00 C ATOM 461 O HIS A 29 -9.167 3.691 2.560 1.00 0.00 O ATOM 462 CB HIS A 29 -7.230 6.147 3.203 1.00 0.00 C ATOM 463 CG HIS A 29 -6.944 7.361 4.042 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.860 7.303 5.423 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.719 8.673 3.707 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.595 8.546 5.866 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.499 9.420 4.861 1.00 0.00 N ATOM 0 H HIS A 29 -8.839 5.260 4.979 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.135 6.910 2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.827 5.256 3.685 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.737 6.237 2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.713 9.066 2.701 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.475 8.805 6.908 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.306 10.420 4.925 1.00 0.00 H new ATOM 475 N VAL A 30 -9.078 5.086 0.793 1.00 0.00 N ATOM 476 CA VAL A 30 -9.342 4.033 -0.196 1.00 0.00 C ATOM 477 C VAL A 30 -8.423 4.197 -1.398 1.00 0.00 C ATOM 478 O VAL A 30 -7.917 5.287 -1.660 1.00 0.00 O ATOM 479 CB VAL A 30 -10.803 4.108 -0.651 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.722 3.903 0.558 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.086 5.478 -1.283 1.00 0.00 C ATOM 0 H VAL A 30 -8.953 6.016 0.394 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.153 3.063 0.263 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.989 3.329 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.762 3.956 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.528 2.926 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.530 4.681 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.127 5.523 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.898 6.263 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.434 5.623 -2.145 1.00 0.00 H new ATOM 491 N LEU A 31 -8.209 3.101 -2.129 1.00 0.00 N ATOM 492 CA LEU A 31 -7.342 3.116 -3.312 1.00 0.00 C ATOM 493 C LEU A 31 -8.184 3.193 -4.579 1.00 0.00 C ATOM 494 O LEU A 31 -9.038 2.339 -4.821 1.00 0.00 O ATOM 495 CB LEU A 31 -6.491 1.837 -3.341 1.00 0.00 C ATOM 496 CG LEU A 31 -5.452 1.882 -4.485 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.429 3.026 -4.269 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.726 0.530 -4.538 1.00 0.00 C ATOM 0 H LEU A 31 -8.623 2.192 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.692 3.989 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.979 1.716 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.138 0.969 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.966 2.073 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.711 3.032 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.953 3.981 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.902 2.870 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.989 0.544 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.224 0.349 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.449 -0.264 -4.724 1.00 0.00 H new ATOM 510 N LEU A 32 -7.927 4.212 -5.394 1.00 0.00 N ATOM 511 CA LEU A 32 -8.654 4.380 -6.647 1.00 0.00 C ATOM 512 C LEU A 32 -8.104 3.404 -7.676 1.00 0.00 C ATOM 513 O LEU A 32 -7.070 3.657 -8.294 1.00 0.00 O ATOM 514 CB LEU A 32 -8.482 5.820 -7.154 1.00 0.00 C ATOM 515 CG LEU A 32 -9.359 6.076 -8.402 1.00 0.00 C ATOM 516 CD1 LEU A 32 -10.866 6.015 -8.051 1.00 0.00 C ATOM 517 CD2 LEU A 32 -9.007 7.460 -8.972 1.00 0.00 C ATOM 0 H LEU A 32 -7.225 4.929 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.714 4.183 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.752 6.522 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.435 6.001 -7.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.161 5.300 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.456 6.199 -8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.107 5.029 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.096 6.774 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.617 7.656 -9.854 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.201 8.224 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.953 7.482 -9.248 1.00 0.00 H new ATOM 529 N ALA A 33 -8.797 2.280 -7.855 1.00 0.00 N ATOM 530 CA ALA A 33 -8.366 1.257 -8.811 1.00 0.00 C ATOM 531 C ALA A 33 -9.063 1.477 -10.166 1.00 0.00 C ATOM 532 O ALA A 33 -10.204 1.937 -10.195 1.00 0.00 O ATOM 533 CB ALA A 33 -8.733 -0.128 -8.268 1.00 0.00 C ATOM 0 H ALA A 33 -9.656 2.054 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.287 1.326 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.414 -0.893 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.234 -0.288 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.812 -0.190 -8.129 1.00 0.00 H new ATOM 539 N PRO A 34 -8.435 1.151 -11.285 1.00 0.00 N ATOM 540 CA PRO A 34 -9.080 1.326 -12.625 1.00 0.00 C ATOM 541 C PRO A 34 -10.515 0.789 -12.654 1.00 0.00 C ATOM 542 O PRO A 34 -11.373 1.324 -13.357 1.00 0.00 O ATOM 543 CB PRO A 34 -8.171 0.511 -13.571 1.00 0.00 C ATOM 544 CG PRO A 34 -6.817 0.559 -12.934 1.00 0.00 C ATOM 545 CD PRO A 34 -7.061 0.608 -11.413 1.00 0.00 C ATOM 0 HA PRO A 34 -9.167 2.376 -12.903 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.524 -0.515 -13.673 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.153 0.943 -14.572 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.227 -0.316 -13.206 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.260 1.435 -13.268 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.980 -0.382 -10.964 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.332 1.245 -10.913 1.00 0.00 H new ATOM 553 N GLU A 35 -10.762 -0.278 -11.899 1.00 0.00 N ATOM 554 CA GLU A 35 -12.089 -0.886 -11.865 1.00 0.00 C ATOM 555 C GLU A 35 -13.076 0.010 -11.122 1.00 0.00 C ATOM 556 O GLU A 35 -14.145 0.326 -11.644 1.00 0.00 O ATOM 557 CB GLU A 35 -12.010 -2.249 -11.171 1.00 0.00 C ATOM 558 CG GLU A 35 -13.364 -2.962 -11.259 1.00 0.00 C ATOM 559 CD GLU A 35 -13.264 -4.359 -10.652 1.00 0.00 C ATOM 560 OE1 GLU A 35 -12.276 -4.630 -9.989 1.00 0.00 O ATOM 561 OE2 GLU A 35 -14.180 -5.138 -10.859 1.00 0.00 O ATOM 0 H GLU A 35 -10.068 -0.736 -11.308 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.440 -1.013 -12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.237 -2.860 -11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.726 -2.119 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.123 -2.383 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.680 -3.031 -12.300 1.00 0.00 H new ATOM 568 N ARG A 36 -12.709 0.426 -9.912 1.00 0.00 N ATOM 569 CA ARG A 36 -13.576 1.291 -9.114 1.00 0.00 C ATOM 570 C ARG A 36 -12.844 1.775 -7.859 1.00 0.00 C ATOM 571 O ARG A 36 -12.104 2.757 -7.905 1.00 0.00 O ATOM 572 CB ARG A 36 -14.862 0.535 -8.726 1.00 0.00 C ATOM 573 CG ARG A 36 -15.819 1.462 -7.964 1.00 0.00 C ATOM 574 CD ARG A 36 -17.083 0.691 -7.589 1.00 0.00 C ATOM 575 NE ARG A 36 -17.989 1.557 -6.834 1.00 0.00 N ATOM 576 CZ ARG A 36 -18.789 2.429 -7.447 1.00 0.00 C ATOM 577 NH1 ARG A 36 -19.584 3.190 -6.745 1.00 0.00 N ATOM 578 NH2 ARG A 36 -18.773 2.526 -8.748 1.00 0.00 N ATOM 0 H ARG A 36 -11.825 0.181 -9.465 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.845 2.162 -9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.352 0.154 -9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.612 -0.327 -8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.334 1.845 -7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.075 2.324 -8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.579 0.328 -8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.822 -0.184 -6.994 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.009 1.492 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.593 3.117 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.196 3.858 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.148 1.934 -9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.385 3.193 -9.217 1.00 0.00 H new ATOM 592 N THR A 37 -13.066 1.090 -6.739 1.00 0.00 N ATOM 593 CA THR A 37 -12.440 1.462 -5.478 1.00 0.00 C ATOM 594 C THR A 37 -12.590 0.326 -4.473 1.00 0.00 C ATOM 595 O THR A 37 -13.541 -0.452 -4.546 1.00 0.00 O ATOM 596 CB THR A 37 -13.098 2.730 -4.926 1.00 0.00 C ATOM 597 OG1 THR A 37 -12.985 3.774 -5.883 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.413 3.151 -3.625 1.00 0.00 C ATOM 0 H THR A 37 -13.676 0.274 -6.682 1.00 0.00 H new ATOM 0 HA THR A 37 -11.380 1.653 -5.648 1.00 0.00 H new ATOM 0 HB THR A 37 -14.150 2.530 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.179 3.637 -6.423 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.887 4.054 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.504 2.351 -2.890 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.358 3.349 -3.817 1.00 0.00 H new ATOM 606 N PHE A 38 -11.640 0.232 -3.539 1.00 0.00 N ATOM 607 CA PHE A 38 -11.653 -0.819 -2.511 1.00 0.00 C ATOM 608 C PHE A 38 -11.563 -0.207 -1.117 1.00 0.00 C ATOM 609 O PHE A 38 -10.788 0.721 -0.881 1.00 0.00 O ATOM 610 CB PHE A 38 -10.460 -1.757 -2.749 1.00 0.00 C ATOM 611 CG PHE A 38 -10.712 -2.581 -3.999 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.549 -1.993 -5.259 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.110 -3.923 -3.901 1.00 0.00 C ATOM 614 CE1 PHE A 38 -10.781 -2.742 -6.417 1.00 0.00 C ATOM 615 CE2 PHE A 38 -11.341 -4.671 -5.061 1.00 0.00 C ATOM 616 CZ PHE A 38 -11.176 -4.080 -6.320 1.00 0.00 C ATOM 0 H PHE A 38 -10.849 0.872 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.587 -1.378 -2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.543 -1.178 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.321 -2.412 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.244 -0.960 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.238 -4.379 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.655 -2.286 -7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.647 -5.704 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.354 -4.657 -7.215 1.00 0.00 H new ATOM 626 N ASP A 39 -12.361 -0.741 -0.194 1.00 0.00 N ATOM 627 CA ASP A 39 -12.367 -0.253 1.181 1.00 0.00 C ATOM 628 C ASP A 39 -11.077 -0.653 1.892 1.00 0.00 C ATOM 629 O ASP A 39 -10.785 -1.837 2.049 1.00 0.00 O ATOM 630 CB ASP A 39 -13.569 -0.828 1.934 1.00 0.00 C ATOM 631 CG ASP A 39 -13.513 -2.353 1.932 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.761 -2.901 1.142 1.00 0.00 O ATOM 633 OD2 ASP A 39 -14.226 -2.952 2.720 1.00 0.00 O ATOM 0 H ASP A 39 -13.009 -1.508 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.439 0.835 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.575 -0.459 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.495 -0.490 1.468 1.00 0.00 H new ATOM 638 N LEU A 40 -10.305 0.350 2.314 1.00 0.00 N ATOM 639 CA LEU A 40 -9.031 0.117 3.010 1.00 0.00 C ATOM 640 C LEU A 40 -8.932 1.019 4.231 1.00 0.00 C ATOM 641 O LEU A 40 -9.574 2.066 4.296 1.00 0.00 O ATOM 642 CB LEU A 40 -7.862 0.413 2.066 1.00 0.00 C ATOM 643 CG LEU A 40 -7.882 -0.553 0.863 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.836 -0.093 -0.161 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.569 -2.005 1.310 1.00 0.00 C ATOM 0 H LEU A 40 -10.538 1.335 2.187 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.989 -0.925 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.923 1.443 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.919 0.315 2.603 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.877 -0.542 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.842 -0.769 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.074 0.917 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.848 -0.099 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.590 -2.665 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.581 -2.039 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.316 -2.332 2.033 1.00 0.00 H new ATOM 657 N ASP A 41 -8.125 0.606 5.206 1.00 0.00 N ATOM 658 CA ASP A 41 -7.951 1.384 6.432 1.00 0.00 C ATOM 659 C ASP A 41 -6.883 2.450 6.231 1.00 0.00 C ATOM 660 O ASP A 41 -5.999 2.310 5.385 1.00 0.00 O ATOM 661 CB ASP A 41 -7.528 0.462 7.576 1.00 0.00 C ATOM 662 CG ASP A 41 -8.641 -0.536 7.884 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.767 -0.282 7.488 1.00 0.00 O ATOM 664 OD2 ASP A 41 -8.349 -1.541 8.510 1.00 0.00 O ATOM 0 H ASP A 41 -7.584 -0.258 5.172 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.899 1.864 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.616 -0.070 7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.302 1.052 8.464 1.00 0.00 H new ATOM 669 N ASP A 42 -6.973 3.515 7.012 1.00 0.00 N ATOM 670 CA ASP A 42 -6.015 4.605 6.916 1.00 0.00 C ATOM 671 C ASP A 42 -4.604 4.106 7.198 1.00 0.00 C ATOM 672 O ASP A 42 -3.642 4.545 6.569 1.00 0.00 O ATOM 673 CB ASP A 42 -6.383 5.699 7.915 1.00 0.00 C ATOM 674 CG ASP A 42 -6.395 5.137 9.334 1.00 0.00 C ATOM 675 OD1 ASP A 42 -6.443 3.926 9.474 1.00 0.00 O ATOM 676 OD2 ASP A 42 -6.354 5.928 10.262 1.00 0.00 O ATOM 0 H ASP A 42 -7.698 3.648 7.718 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.045 5.008 5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.668 6.519 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.363 6.110 7.671 1.00 0.00 H new ATOM 681 N ASN A 43 -4.490 3.186 8.146 1.00 0.00 N ATOM 682 CA ASN A 43 -3.193 2.632 8.507 1.00 0.00 C ATOM 683 C ASN A 43 -2.595 1.864 7.332 1.00 0.00 C ATOM 684 O ASN A 43 -1.392 1.926 7.092 1.00 0.00 O ATOM 685 CB ASN A 43 -3.340 1.702 9.715 1.00 0.00 C ATOM 686 CG ASN A 43 -3.732 2.503 10.956 1.00 0.00 C ATOM 687 OD1 ASN A 43 -4.016 1.923 12.004 1.00 0.00 O ATOM 688 ND2 ASN A 43 -3.773 3.808 10.900 1.00 0.00 N ATOM 0 H ASN A 43 -5.276 2.809 8.676 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.524 3.453 8.765 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.096 0.944 9.509 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.402 1.176 9.894 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.040 4.346 11.725 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.538 4.289 10.032 1.00 0.00 H new ATOM 695 N ALA A 44 -3.439 1.131 6.612 1.00 0.00 N ATOM 696 CA ALA A 44 -2.973 0.346 5.472 1.00 0.00 C ATOM 697 C ALA A 44 -2.540 1.255 4.325 1.00 0.00 C ATOM 698 O ALA A 44 -1.539 0.991 3.659 1.00 0.00 O ATOM 699 CB ALA A 44 -4.089 -0.585 4.993 1.00 0.00 C ATOM 0 H ALA A 44 -4.440 1.064 6.795 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.114 -0.244 5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.736 -1.168 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.373 -1.258 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.953 0.007 4.693 1.00 0.00 H new ATOM 705 N VAL A 45 -3.296 2.328 4.097 1.00 0.00 N ATOM 706 CA VAL A 45 -2.974 3.269 3.023 1.00 0.00 C ATOM 707 C VAL A 45 -1.845 4.199 3.456 1.00 0.00 C ATOM 708 O VAL A 45 -1.098 4.712 2.623 1.00 0.00 O ATOM 709 CB VAL A 45 -4.215 4.097 2.664 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.875 5.090 1.542 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.331 3.156 2.196 1.00 0.00 C ATOM 0 H VAL A 45 -4.129 2.567 4.636 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.652 2.704 2.148 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.546 4.652 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.761 5.674 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.082 5.759 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.541 4.543 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.215 3.739 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.996 2.601 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.577 2.457 2.996 1.00 0.00 H new ATOM 721 N ALA A 46 -1.726 4.410 4.762 1.00 0.00 N ATOM 722 CA ALA A 46 -0.684 5.280 5.289 1.00 0.00 C ATOM 723 C ALA A 46 0.691 4.778 4.864 1.00 0.00 C ATOM 724 O ALA A 46 1.596 5.566 4.594 1.00 0.00 O ATOM 725 CB ALA A 46 -0.766 5.331 6.818 1.00 0.00 C ATOM 0 H ALA A 46 -2.333 3.994 5.469 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.833 6.283 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.017 5.984 7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.740 5.717 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.633 4.328 7.223 1.00 0.00 H new ATOM 731 N VAL A 47 0.839 3.460 4.810 1.00 0.00 N ATOM 732 CA VAL A 47 2.108 2.853 4.424 1.00 0.00 C ATOM 733 C VAL A 47 2.502 3.292 3.015 1.00 0.00 C ATOM 734 O VAL A 47 3.642 3.689 2.774 1.00 0.00 O ATOM 735 CB VAL A 47 1.966 1.326 4.471 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.264 0.650 4.011 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.645 0.894 5.903 1.00 0.00 C ATOM 0 H VAL A 47 0.099 2.792 5.028 1.00 0.00 H new ATOM 0 HA VAL A 47 2.886 3.175 5.116 1.00 0.00 H new ATOM 0 HB VAL A 47 1.160 1.025 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.144 -0.433 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.489 0.953 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.082 0.949 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.543 -0.191 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.451 1.207 6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.712 1.358 6.222 1.00 0.00 H new ATOM 747 N LEU A 48 1.552 3.211 2.090 1.00 0.00 N ATOM 748 CA LEU A 48 1.805 3.593 0.705 1.00 0.00 C ATOM 749 C LEU A 48 1.957 5.105 0.591 1.00 0.00 C ATOM 750 O LEU A 48 2.658 5.604 -0.286 1.00 0.00 O ATOM 751 CB LEU A 48 0.658 3.116 -0.190 1.00 0.00 C ATOM 752 CG LEU A 48 0.383 1.622 0.053 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.768 1.170 -0.856 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.644 0.780 -0.242 1.00 0.00 C ATOM 0 H LEU A 48 0.603 2.885 2.273 1.00 0.00 H new ATOM 0 HA LEU A 48 2.732 3.121 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.241 3.697 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.911 3.281 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 48 0.111 1.476 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.969 0.112 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.662 1.750 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.492 1.327 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.428 -0.273 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.939 0.919 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.456 1.099 0.411 1.00 0.00 H new ATOM 766 N LYS A 49 1.285 5.833 1.476 1.00 0.00 N ATOM 767 CA LYS A 49 1.349 7.295 1.469 1.00 0.00 C ATOM 768 C LYS A 49 2.588 7.784 2.219 1.00 0.00 C ATOM 769 O LYS A 49 3.059 8.899 1.993 1.00 0.00 O ATOM 770 CB LYS A 49 0.089 7.871 2.121 1.00 0.00 C ATOM 771 CG LYS A 49 0.060 9.397 1.952 1.00 0.00 C ATOM 772 CD LYS A 49 -1.302 9.950 2.399 1.00 0.00 C ATOM 773 CE LYS A 49 -1.518 9.724 3.905 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.617 10.611 4.379 1.00 0.00 N ATOM 0 H LYS A 49 0.691 5.439 2.206 1.00 0.00 H new ATOM 0 HA LYS A 49 1.412 7.635 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.799 7.430 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.068 7.614 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.857 9.851 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.244 9.659 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.358 11.015 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.099 9.464 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.768 8.680 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.600 9.937 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.768 10.463 5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.360 11.604 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.492 10.386 3.863 1.00 0.00 H new ATOM 788 N LEU A 50 3.106 6.952 3.125 1.00 0.00 N ATOM 789 CA LEU A 50 4.285 7.328 3.906 1.00 0.00 C ATOM 790 C LEU A 50 5.529 7.355 3.021 1.00 0.00 C ATOM 791 O LEU A 50 6.439 8.155 3.239 1.00 0.00 O ATOM 792 CB LEU A 50 4.478 6.320 5.054 1.00 0.00 C ATOM 793 CG LEU A 50 5.710 6.666 5.918 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.559 8.060 6.563 1.00 0.00 C ATOM 795 CD2 LEU A 50 5.851 5.598 7.013 1.00 0.00 C ATOM 0 H LEU A 50 2.733 6.026 3.334 1.00 0.00 H new ATOM 0 HA LEU A 50 4.135 8.326 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.586 6.307 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.593 5.317 4.642 1.00 0.00 H new ATOM 0 HG LEU A 50 6.598 6.684 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.440 8.279 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.457 8.813 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.673 8.073 7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.717 5.826 7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.953 5.590 7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.983 4.619 6.552 1.00 0.00 H new ATOM 807 N VAL A 51 5.563 6.477 2.018 1.00 0.00 N ATOM 808 CA VAL A 51 6.703 6.412 1.099 1.00 0.00 C ATOM 809 C VAL A 51 6.670 7.586 0.113 1.00 0.00 C ATOM 810 O VAL A 51 5.651 7.852 -0.523 1.00 0.00 O ATOM 811 CB VAL A 51 6.709 5.057 0.352 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.316 4.752 -0.206 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.726 5.085 -0.805 1.00 0.00 C ATOM 0 H VAL A 51 4.821 5.805 1.821 1.00 0.00 H new ATOM 0 HA VAL A 51 7.624 6.488 1.677 1.00 0.00 H new ATOM 0 HB VAL A 51 6.993 4.279 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.335 3.796 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.599 4.703 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.022 5.539 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.718 4.124 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.458 5.875 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.723 5.275 -0.408 1.00 0.00 H new ATOM 823 N ASP A 52 7.800 8.276 -0.011 1.00 0.00 N ATOM 824 CA ASP A 52 7.904 9.407 -0.928 1.00 0.00 C ATOM 825 C ASP A 52 7.879 8.926 -2.383 1.00 0.00 C ATOM 826 O ASP A 52 7.187 9.500 -3.223 1.00 0.00 O ATOM 827 CB ASP A 52 9.204 10.175 -0.655 1.00 0.00 C ATOM 828 CG ASP A 52 9.130 10.872 0.704 1.00 0.00 C ATOM 829 OD1 ASP A 52 8.039 10.971 1.243 1.00 0.00 O ATOM 830 OD2 ASP A 52 10.167 11.296 1.185 1.00 0.00 O ATOM 0 H ASP A 52 8.653 8.073 0.510 1.00 0.00 H new ATOM 0 HA ASP A 52 7.052 10.067 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.051 9.489 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.372 10.911 -1.441 1.00 0.00 H new ATOM 835 N GLY A 53 8.644 7.864 -2.669 1.00 0.00 N ATOM 836 CA GLY A 53 8.720 7.293 -4.025 1.00 0.00 C ATOM 837 C GLY A 53 8.831 5.775 -3.955 1.00 0.00 C ATOM 838 O GLY A 53 7.823 5.082 -3.819 1.00 0.00 O ATOM 0 H GLY A 53 9.221 7.381 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.834 7.574 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.581 7.703 -4.552 1.00 0.00 H new ATOM 842 N ARG A 54 10.065 5.257 -4.043 1.00 0.00 N ATOM 843 CA ARG A 54 10.296 3.805 -3.967 1.00 0.00 C ATOM 844 C ARG A 54 11.100 3.466 -2.713 1.00 0.00 C ATOM 845 O ARG A 54 12.313 3.671 -2.670 1.00 0.00 O ATOM 846 CB ARG A 54 11.085 3.357 -5.199 1.00 0.00 C ATOM 847 CG ARG A 54 10.265 3.641 -6.457 1.00 0.00 C ATOM 848 CD ARG A 54 11.082 3.289 -7.701 1.00 0.00 C ATOM 849 NE ARG A 54 11.308 1.852 -7.754 1.00 0.00 N ATOM 850 CZ ARG A 54 12.070 1.299 -8.690 1.00 0.00 C ATOM 851 NH1 ARG A 54 12.235 0.004 -8.714 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.655 2.049 -9.581 1.00 0.00 N ATOM 0 H ARG A 54 10.911 5.814 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 54 9.335 3.293 -3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.038 3.884 -5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.312 2.293 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.343 3.059 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.978 4.692 -6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.555 3.617 -8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.036 3.816 -7.681 1.00 0.00 H new ATOM 0 HE ARG A 54 10.869 1.254 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.779 -0.581 -8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.820 -0.422 -9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.527 3.061 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.240 1.624 -10.300 1.00 0.00 H new ATOM 866 N ASN A 55 10.417 2.915 -1.705 1.00 0.00 N ATOM 867 CA ASN A 55 11.060 2.502 -0.442 1.00 0.00 C ATOM 868 C ASN A 55 10.923 1.000 -0.251 1.00 0.00 C ATOM 869 O ASN A 55 9.910 0.432 -0.607 1.00 0.00 O ATOM 870 CB ASN A 55 10.420 3.244 0.745 1.00 0.00 C ATOM 871 CG ASN A 55 10.871 4.703 0.757 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.850 5.057 0.100 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.214 5.573 1.472 1.00 0.00 N ATOM 0 H ASN A 55 9.412 2.742 -1.735 1.00 0.00 H new ATOM 0 HA ASN A 55 12.119 2.756 -0.488 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.334 3.192 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.701 2.761 1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.511 6.549 1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.403 5.278 2.016 1.00 0.00 H new ATOM 880 N THR A 56 11.931 0.371 0.343 1.00 0.00 N ATOM 881 CA THR A 56 11.880 -1.069 0.601 1.00 0.00 C ATOM 882 C THR A 56 11.013 -1.336 1.822 1.00 0.00 C ATOM 883 O THR A 56 11.062 -0.592 2.799 1.00 0.00 O ATOM 884 CB THR A 56 13.295 -1.603 0.845 1.00 0.00 C ATOM 885 OG1 THR A 56 13.898 -0.872 1.903 1.00 0.00 O ATOM 886 CG2 THR A 56 14.132 -1.449 -0.429 1.00 0.00 C ATOM 0 H THR A 56 12.788 0.828 0.654 1.00 0.00 H new ATOM 0 HA THR A 56 11.452 -1.575 -0.264 1.00 0.00 H new ATOM 0 HB THR A 56 13.243 -2.658 1.114 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.803 -1.213 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.138 -1.830 -0.252 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.668 -2.012 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.186 -0.396 -0.704 1.00 0.00 H new ATOM 894 N VAL A 57 10.213 -2.394 1.762 1.00 0.00 N ATOM 895 CA VAL A 57 9.331 -2.730 2.874 1.00 0.00 C ATOM 896 C VAL A 57 10.128 -2.830 4.171 1.00 0.00 C ATOM 897 O VAL A 57 9.664 -2.409 5.231 1.00 0.00 O ATOM 898 CB VAL A 57 8.613 -4.054 2.593 1.00 0.00 C ATOM 899 CG1 VAL A 57 7.785 -3.919 1.312 1.00 0.00 C ATOM 900 CG2 VAL A 57 9.644 -5.178 2.419 1.00 0.00 C ATOM 0 H VAL A 57 10.156 -3.028 0.965 1.00 0.00 H new ATOM 0 HA VAL A 57 8.587 -1.940 2.982 1.00 0.00 H new ATOM 0 HB VAL A 57 7.958 -4.294 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.273 -4.859 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.049 -3.124 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.443 -3.677 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.128 -6.117 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.303 -4.941 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.234 -5.275 3.330 1.00 0.00 H new ATOM 910 N SER A 58 11.332 -3.378 4.076 1.00 0.00 N ATOM 911 CA SER A 58 12.191 -3.516 5.242 1.00 0.00 C ATOM 912 C SER A 58 12.497 -2.153 5.857 1.00 0.00 C ATOM 913 O SER A 58 12.457 -1.992 7.073 1.00 0.00 O ATOM 914 CB SER A 58 13.500 -4.201 4.852 1.00 0.00 C ATOM 915 OG SER A 58 14.305 -4.364 6.012 1.00 0.00 O ATOM 0 H SER A 58 11.734 -3.732 3.208 1.00 0.00 H new ATOM 0 HA SER A 58 11.665 -4.124 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.296 -5.170 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.029 -3.605 4.108 1.00 0.00 H new ATOM 0 HG SER A 58 15.146 -4.805 5.768 1.00 0.00 H new ATOM 921 N GLN A 59 12.814 -1.176 5.010 1.00 0.00 N ATOM 922 CA GLN A 59 13.141 0.165 5.492 1.00 0.00 C ATOM 923 C GLN A 59 11.932 0.811 6.164 1.00 0.00 C ATOM 924 O GLN A 59 12.050 1.390 7.244 1.00 0.00 O ATOM 925 CB GLN A 59 13.610 1.036 4.321 1.00 0.00 C ATOM 926 CG GLN A 59 14.105 2.391 4.841 1.00 0.00 C ATOM 927 CD GLN A 59 14.631 3.231 3.682 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.879 3.567 2.767 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.885 3.592 3.666 1.00 0.00 N ATOM 0 H GLN A 59 12.851 -1.285 3.997 1.00 0.00 H new ATOM 0 HA GLN A 59 13.941 0.081 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.410 0.531 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.791 1.184 3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.293 2.916 5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.892 2.241 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.506 3.312 4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.244 4.154 2.894 1.00 0.00 H new ATOM 938 N ILE A 60 10.775 0.711 5.522 1.00 0.00 N ATOM 939 CA ILE A 60 9.555 1.292 6.073 1.00 0.00 C ATOM 940 C ILE A 60 9.239 0.659 7.422 1.00 0.00 C ATOM 941 O ILE A 60 8.858 1.347 8.369 1.00 0.00 O ATOM 942 CB ILE A 60 8.375 1.081 5.113 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.727 1.658 3.729 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.135 1.801 5.670 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.658 1.254 2.707 1.00 0.00 C ATOM 0 H ILE A 60 10.655 0.237 4.627 1.00 0.00 H new ATOM 0 HA ILE A 60 9.712 2.363 6.205 1.00 0.00 H new ATOM 0 HB ILE A 60 8.168 0.015 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.796 2.744 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.703 1.292 3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.294 1.654 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.887 1.393 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.344 2.867 5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.914 1.666 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.610 0.167 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.689 1.642 3.022 1.00 0.00 H new ATOM 957 N ALA A 61 9.393 -0.657 7.497 1.00 0.00 N ATOM 958 CA ALA A 61 9.115 -1.385 8.729 1.00 0.00 C ATOM 959 C ALA A 61 9.873 -0.767 9.904 1.00 0.00 C ATOM 960 O ALA A 61 9.349 -0.686 11.013 1.00 0.00 O ATOM 961 CB ALA A 61 9.520 -2.853 8.558 1.00 0.00 C ATOM 0 H ALA A 61 9.708 -1.241 6.722 1.00 0.00 H new ATOM 0 HA ALA A 61 8.047 -1.324 8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.312 -3.397 9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.951 -3.294 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.585 -2.913 8.334 1.00 0.00 H new ATOM 967 N GLN A 62 11.105 -0.333 9.658 1.00 0.00 N ATOM 968 CA GLN A 62 11.903 0.275 10.717 1.00 0.00 C ATOM 969 C GLN A 62 11.254 1.567 11.207 1.00 0.00 C ATOM 970 O GLN A 62 11.066 1.759 12.406 1.00 0.00 O ATOM 971 CB GLN A 62 13.315 0.587 10.206 1.00 0.00 C ATOM 972 CG GLN A 62 14.036 -0.705 9.813 1.00 0.00 C ATOM 973 CD GLN A 62 14.300 -1.568 11.041 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.765 -1.068 12.066 1.00 0.00 O ATOM 975 NE2 GLN A 62 14.031 -2.844 10.997 1.00 0.00 N ATOM 0 H GLN A 62 11.567 -0.389 8.750 1.00 0.00 H new ATOM 0 HA GLN A 62 11.961 -0.434 11.543 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.259 1.256 9.347 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.882 1.107 10.978 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.433 -1.260 9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.979 -0.466 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.646 -3.255 10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.206 -3.430 11.813 1.00 0.00 H new ATOM 984 N ILE A 63 10.921 2.455 10.275 1.00 0.00 N ATOM 985 CA ILE A 63 10.306 3.730 10.637 1.00 0.00 C ATOM 986 C ILE A 63 8.935 3.507 11.267 1.00 0.00 C ATOM 987 O ILE A 63 8.627 4.066 12.321 1.00 0.00 O ATOM 988 CB ILE A 63 10.157 4.609 9.385 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.537 4.817 8.735 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.560 5.972 9.780 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.371 5.472 7.361 1.00 0.00 C ATOM 0 H ILE A 63 11.064 2.319 9.274 1.00 0.00 H new ATOM 0 HA ILE A 63 10.948 4.229 11.362 1.00 0.00 H new ATOM 0 HB ILE A 63 9.493 4.117 8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.159 5.444 9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.048 3.860 8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.455 6.594 8.891 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.581 5.822 10.236 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.221 6.466 10.493 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.351 5.617 6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.766 4.829 6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.878 6.437 7.475 1.00 0.00 H new ATOM 1003 N LEU A 64 8.115 2.694 10.613 1.00 0.00 N ATOM 1004 CA LEU A 64 6.774 2.403 11.109 1.00 0.00 C ATOM 1005 C LEU A 64 6.853 1.544 12.369 1.00 0.00 C ATOM 1006 O LEU A 64 6.008 1.637 13.256 1.00 0.00 O ATOM 1007 CB LEU A 64 5.966 1.688 10.025 1.00 0.00 C ATOM 1008 CG LEU A 64 4.479 1.572 10.424 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.801 2.970 10.466 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.760 0.680 9.401 1.00 0.00 C ATOM 0 H LEU A 64 8.354 2.225 9.739 1.00 0.00 H new ATOM 0 HA LEU A 64 6.275 3.339 11.361 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.052 2.233 9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.379 0.693 9.856 1.00 0.00 H new ATOM 0 HG LEU A 64 4.414 1.135 11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.754 2.858 10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.310 3.599 11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.863 3.434 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.708 0.590 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.842 1.125 8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.219 -0.309 9.395 1.00 0.00 H new ATOM 1022 N GLY A 65 7.866 0.692 12.435 1.00 0.00 N ATOM 1023 CA GLY A 65 8.034 -0.180 13.589 1.00 0.00 C ATOM 1024 C GLY A 65 8.246 0.635 14.859 1.00 0.00 C ATOM 1025 O GLY A 65 7.688 0.317 15.909 1.00 0.00 O ATOM 0 H GLY A 65 8.577 0.586 11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.155 -0.815 13.702 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.886 -0.841 13.430 1.00 0.00 H new ATOM 1029 N GLN A 66 9.047 1.691 14.757 1.00 0.00 N ATOM 1030 CA GLN A 66 9.313 2.548 15.908 1.00 0.00 C ATOM 1031 C GLN A 66 8.042 3.287 16.325 1.00 0.00 C ATOM 1032 O GLN A 66 7.783 3.466 17.515 1.00 0.00 O ATOM 1033 CB GLN A 66 10.418 3.559 15.567 1.00 0.00 C ATOM 1034 CG GLN A 66 11.761 2.834 15.433 1.00 0.00 C ATOM 1035 CD GLN A 66 12.839 3.817 14.991 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.629 4.592 14.057 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.989 3.833 15.608 1.00 0.00 N ATOM 0 H GLN A 66 9.519 1.972 13.898 1.00 0.00 H new ATOM 0 HA GLN A 66 9.644 1.924 16.738 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.178 4.074 14.637 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.481 4.319 16.345 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.037 2.382 16.386 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.676 2.024 14.709 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.162 3.191 16.381 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.715 4.488 15.317 1.00 0.00 H new ATOM 1046 N THR A 67 7.256 3.713 15.341 1.00 0.00 N ATOM 1047 CA THR A 67 6.019 4.432 15.631 1.00 0.00 C ATOM 1048 C THR A 67 5.042 3.528 16.380 1.00 0.00 C ATOM 1049 O THR A 67 4.369 3.968 17.312 1.00 0.00 O ATOM 1050 CB THR A 67 5.381 4.933 14.325 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.241 3.856 13.422 1.00 0.00 O ATOM 1052 CG2 THR A 67 6.263 6.013 13.696 1.00 0.00 C ATOM 0 H THR A 67 7.449 3.576 14.349 1.00 0.00 H new ATOM 0 HA THR A 67 6.253 5.290 16.262 1.00 0.00 H new ATOM 0 HB THR A 67 4.400 5.353 14.546 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.655 3.054 13.803 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.805 6.364 12.771 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.366 6.848 14.389 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.247 5.598 13.479 1.00 0.00 H new ATOM 1060 N TYR A 68 4.976 2.255 15.979 1.00 0.00 N ATOM 1061 CA TYR A 68 4.084 1.281 16.629 1.00 0.00 C ATOM 1062 C TYR A 68 4.852 0.483 17.684 1.00 0.00 C ATOM 1063 O TYR A 68 4.280 -0.366 18.367 1.00 0.00 O ATOM 1064 CB TYR A 68 3.493 0.328 15.565 1.00 0.00 C ATOM 1065 CG TYR A 68 2.329 0.999 14.854 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.572 1.895 13.809 1.00 0.00 C ATOM 1067 CD2 TYR A 68 1.010 0.731 15.251 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.500 2.523 13.160 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.059 1.357 14.601 1.00 0.00 C ATOM 1070 CZ TYR A 68 0.186 2.253 13.556 1.00 0.00 C ATOM 1071 OH TYR A 68 -0.868 2.870 12.915 1.00 0.00 O ATOM 0 H TYR A 68 5.526 1.872 15.210 1.00 0.00 H new ATOM 0 HA TYR A 68 3.271 1.815 17.122 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.262 0.055 14.843 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.157 -0.595 16.038 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.586 2.103 13.502 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.820 0.041 16.059 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.689 3.216 12.353 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.074 1.148 14.906 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.713 2.571 13.312 1.00 0.00 H new ATOM 1081 N ASP A 69 6.147 0.764 17.819 1.00 0.00 N ATOM 1082 CA ASP A 69 6.977 0.065 18.802 1.00 0.00 C ATOM 1083 C ASP A 69 6.768 -1.447 18.725 1.00 0.00 C ATOM 1084 O ASP A 69 6.316 -2.070 19.687 1.00 0.00 O ATOM 1085 CB ASP A 69 6.641 0.561 20.214 1.00 0.00 C ATOM 1086 CG ASP A 69 7.646 0.011 21.223 1.00 0.00 C ATOM 1087 OD1 ASP A 69 8.669 -0.502 20.797 1.00 0.00 O ATOM 1088 OD2 ASP A 69 7.377 0.109 22.409 1.00 0.00 O ATOM 0 H ASP A 69 6.642 1.464 17.266 1.00 0.00 H new ATOM 0 HA ASP A 69 8.022 0.279 18.577 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.653 1.651 20.236 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.633 0.247 20.487 1.00 0.00 H new ATOM 1093 N ALA A 70 7.092 -2.032 17.571 1.00 0.00 N ATOM 1094 CA ALA A 70 6.936 -3.476 17.361 1.00 0.00 C ATOM 1095 C ALA A 70 8.064 -4.013 16.487 1.00 0.00 C ATOM 1096 O ALA A 70 8.732 -3.255 15.782 1.00 0.00 O ATOM 1097 CB ALA A 70 5.591 -3.762 16.692 1.00 0.00 C ATOM 0 H ALA A 70 7.465 -1.529 16.765 1.00 0.00 H new ATOM 0 HA ALA A 70 6.973 -3.973 18.330 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.482 -4.836 16.539 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.784 -3.402 17.330 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.548 -3.252 15.730 1.00 0.00 H new ATOM 1103 N ASP A 71 8.276 -5.323 16.547 1.00 0.00 N ATOM 1104 CA ASP A 71 9.329 -5.956 15.764 1.00 0.00 C ATOM 1105 C ASP A 71 9.164 -5.626 14.267 1.00 0.00 C ATOM 1106 O ASP A 71 8.186 -6.058 13.657 1.00 0.00 O ATOM 1107 CB ASP A 71 9.253 -7.469 15.951 1.00 0.00 C ATOM 1108 CG ASP A 71 9.347 -7.814 17.432 1.00 0.00 C ATOM 1109 OD1 ASP A 71 10.045 -7.108 18.141 1.00 0.00 O ATOM 1110 OD2 ASP A 71 8.719 -8.779 17.836 1.00 0.00 O ATOM 0 H ASP A 71 7.735 -5.964 17.127 1.00 0.00 H new ATOM 0 HA ASP A 71 10.294 -5.580 16.105 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.318 -7.849 15.539 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.062 -7.953 15.404 1.00 0.00 H new ATOM 1115 N PRO A 72 10.074 -4.888 13.649 1.00 0.00 N ATOM 1116 CA PRO A 72 9.958 -4.546 12.193 1.00 0.00 C ATOM 1117 C PRO A 72 9.657 -5.769 11.313 1.00 0.00 C ATOM 1118 O PRO A 72 8.909 -5.665 10.342 1.00 0.00 O ATOM 1119 CB PRO A 72 11.343 -3.952 11.853 1.00 0.00 C ATOM 1120 CG PRO A 72 11.827 -3.362 13.138 1.00 0.00 C ATOM 1121 CD PRO A 72 11.289 -4.280 14.245 1.00 0.00 C ATOM 0 HA PRO A 72 9.129 -3.864 12.004 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.025 -4.720 11.488 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.269 -3.195 11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.916 -3.316 13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 72 11.462 -2.343 13.263 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.020 -5.039 14.524 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.052 -3.719 15.149 1.00 0.00 H new ATOM 1129 N ALA A 73 10.251 -6.911 11.649 1.00 0.00 N ATOM 1130 CA ALA A 73 10.049 -8.133 10.867 1.00 0.00 C ATOM 1131 C ALA A 73 8.562 -8.437 10.689 1.00 0.00 C ATOM 1132 O ALA A 73 8.128 -8.855 9.616 1.00 0.00 O ATOM 1133 CB ALA A 73 10.735 -9.311 11.560 1.00 0.00 C ATOM 0 H ALA A 73 10.872 -7.019 12.451 1.00 0.00 H new ATOM 0 HA ALA A 73 10.487 -7.980 9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.582 -10.217 10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.803 -9.111 11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.310 -9.446 12.555 1.00 0.00 H new ATOM 1139 N ILE A 74 7.782 -8.224 11.740 1.00 0.00 N ATOM 1140 CA ILE A 74 6.344 -8.469 11.674 1.00 0.00 C ATOM 1141 C ILE A 74 5.668 -7.422 10.793 1.00 0.00 C ATOM 1142 O ILE A 74 4.738 -7.731 10.047 1.00 0.00 O ATOM 1143 CB ILE A 74 5.728 -8.454 13.078 1.00 0.00 C ATOM 1144 CG1 ILE A 74 6.439 -9.503 13.952 1.00 0.00 C ATOM 1145 CG2 ILE A 74 4.230 -8.786 12.984 1.00 0.00 C ATOM 1146 CD1 ILE A 74 5.979 -9.389 15.412 1.00 0.00 C ATOM 0 H ILE A 74 8.115 -7.885 12.642 1.00 0.00 H new ATOM 0 HA ILE A 74 6.184 -9.454 11.236 1.00 0.00 H new ATOM 0 HB ILE A 74 5.849 -7.466 13.523 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.226 -10.503 13.575 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.518 -9.363 13.893 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.792 -8.775 13.982 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.731 -8.044 12.361 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.103 -9.775 12.543 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.492 -10.138 16.015 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.215 -8.395 15.791 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.903 -9.553 15.468 1.00 0.00 H new ATOM 1158 N ILE A 75 6.123 -6.179 10.906 1.00 0.00 N ATOM 1159 CA ILE A 75 5.538 -5.084 10.138 1.00 0.00 C ATOM 1160 C ILE A 75 5.665 -5.328 8.638 1.00 0.00 C ATOM 1161 O ILE A 75 4.688 -5.187 7.902 1.00 0.00 O ATOM 1162 CB ILE A 75 6.249 -3.776 10.491 1.00 0.00 C ATOM 1163 CG1 ILE A 75 6.238 -3.560 12.017 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.565 -2.599 9.789 1.00 0.00 C ATOM 1165 CD1 ILE A 75 4.807 -3.569 12.589 1.00 0.00 C ATOM 0 H ILE A 75 6.891 -5.904 11.518 1.00 0.00 H new ATOM 0 HA ILE A 75 4.480 -5.022 10.391 1.00 0.00 H new ATOM 0 HB ILE A 75 7.283 -3.836 10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.826 -4.341 12.498 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.717 -2.610 12.252 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.079 -1.673 10.047 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.604 -2.747 8.710 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.525 -2.538 10.110 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.845 -3.414 13.667 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.226 -2.771 12.128 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.337 -4.529 12.377 1.00 0.00 H new ATOM 1177 N GLU A 76 6.861 -5.688 8.177 1.00 0.00 N ATOM 1178 CA GLU A 76 7.052 -5.932 6.752 1.00 0.00 C ATOM 1179 C GLU A 76 6.172 -7.097 6.305 1.00 0.00 C ATOM 1180 O GLU A 76 5.502 -7.023 5.276 1.00 0.00 O ATOM 1181 CB GLU A 76 8.533 -6.218 6.431 1.00 0.00 C ATOM 1182 CG GLU A 76 9.087 -7.301 7.356 1.00 0.00 C ATOM 1183 CD GLU A 76 10.580 -7.478 7.114 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.258 -6.476 6.954 1.00 0.00 O ATOM 1185 OE2 GLU A 76 11.026 -8.614 7.092 1.00 0.00 O ATOM 0 H GLU A 76 7.693 -5.814 8.754 1.00 0.00 H new ATOM 0 HA GLU A 76 6.761 -5.035 6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.631 -6.535 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.117 -5.304 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.908 -7.029 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.567 -8.243 7.179 1.00 0.00 H new ATOM 1192 N ALA A 77 6.174 -8.163 7.098 1.00 0.00 N ATOM 1193 CA ALA A 77 5.372 -9.342 6.795 1.00 0.00 C ATOM 1194 C ALA A 77 3.882 -9.031 6.870 1.00 0.00 C ATOM 1195 O ALA A 77 3.065 -9.766 6.322 1.00 0.00 O ATOM 1196 CB ALA A 77 5.713 -10.471 7.767 1.00 0.00 C ATOM 0 H ALA A 77 6.722 -8.235 7.955 1.00 0.00 H new ATOM 0 HA ALA A 77 5.605 -9.654 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.109 -11.348 7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.769 -10.723 7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.504 -10.148 8.787 1.00 0.00 H new ATOM 1202 N ASP A 78 3.527 -7.956 7.578 1.00 0.00 N ATOM 1203 CA ASP A 78 2.121 -7.568 7.730 1.00 0.00 C ATOM 1204 C ASP A 78 1.605 -6.827 6.493 1.00 0.00 C ATOM 1205 O ASP A 78 0.544 -7.151 5.961 1.00 0.00 O ATOM 1206 CB ASP A 78 1.959 -6.672 8.960 1.00 0.00 C ATOM 1207 CG ASP A 78 0.479 -6.411 9.236 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.336 -6.788 8.409 1.00 0.00 O ATOM 1209 OD2 ASP A 78 0.183 -5.844 10.273 1.00 0.00 O ATOM 0 H ASP A 78 4.188 -7.342 8.053 1.00 0.00 H new ATOM 0 HA ASP A 78 1.536 -8.480 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.419 -7.146 9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.478 -5.727 8.801 1.00 0.00 H new ATOM 1214 N ILE A 79 2.362 -5.820 6.049 1.00 0.00 N ATOM 1215 CA ILE A 79 1.976 -5.020 4.880 1.00 0.00 C ATOM 1216 C ILE A 79 2.135 -5.811 3.584 1.00 0.00 C ATOM 1217 O ILE A 79 1.306 -5.705 2.684 1.00 0.00 O ATOM 1218 CB ILE A 79 2.815 -3.734 4.833 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.304 -4.104 4.730 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.558 -2.924 6.113 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.187 -2.850 4.803 1.00 0.00 C ATOM 0 H ILE A 79 3.243 -5.539 6.479 1.00 0.00 H new ATOM 0 HA ILE A 79 0.922 -4.759 4.976 1.00 0.00 H new ATOM 0 HB ILE A 79 2.538 -3.135 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.569 -4.788 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.488 -4.629 3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.149 -2.009 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.500 -2.671 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.842 -3.517 6.982 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.235 -3.138 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.935 -2.179 3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.018 -2.341 5.752 1.00 0.00 H new ATOM 1233 N LEU A 80 3.204 -6.603 3.488 1.00 0.00 N ATOM 1234 CA LEU A 80 3.452 -7.405 2.286 1.00 0.00 C ATOM 1235 C LEU A 80 2.155 -8.087 1.797 1.00 0.00 C ATOM 1236 O LEU A 80 1.714 -7.820 0.680 1.00 0.00 O ATOM 1237 CB LEU A 80 4.590 -8.430 2.570 1.00 0.00 C ATOM 1238 CG LEU A 80 5.989 -7.845 2.219 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.085 -8.602 2.988 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.265 -7.988 0.711 1.00 0.00 C ATOM 0 H LEU A 80 3.907 -6.707 4.220 1.00 0.00 H new ATOM 0 HA LEU A 80 3.780 -6.753 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.568 -8.717 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.418 -9.336 1.989 1.00 0.00 H new ATOM 0 HG LEU A 80 5.997 -6.791 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.060 -8.186 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.913 -8.501 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.059 -9.657 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.247 -7.575 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.241 -9.042 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.503 -7.448 0.149 1.00 0.00 H new ATOM 1252 N PRO A 81 1.521 -8.920 2.601 1.00 0.00 N ATOM 1253 CA PRO A 81 0.239 -9.582 2.219 1.00 0.00 C ATOM 1254 C PRO A 81 -0.698 -8.635 1.461 1.00 0.00 C ATOM 1255 O PRO A 81 -1.327 -9.024 0.477 1.00 0.00 O ATOM 1256 CB PRO A 81 -0.386 -9.965 3.581 1.00 0.00 C ATOM 1257 CG PRO A 81 0.767 -10.108 4.542 1.00 0.00 C ATOM 1258 CD PRO A 81 1.967 -9.347 3.935 1.00 0.00 C ATOM 0 HA PRO A 81 0.402 -10.428 1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.083 -9.199 3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.948 -10.896 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.507 -9.699 5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.014 -11.159 4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.242 -8.491 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.846 -9.988 3.869 1.00 0.00 H new ATOM 1266 N MET A 82 -0.791 -7.399 1.941 1.00 0.00 N ATOM 1267 CA MET A 82 -1.663 -6.414 1.313 1.00 0.00 C ATOM 1268 C MET A 82 -1.174 -6.101 -0.096 1.00 0.00 C ATOM 1269 O MET A 82 -1.970 -5.973 -1.022 1.00 0.00 O ATOM 1270 CB MET A 82 -1.696 -5.127 2.155 1.00 0.00 C ATOM 1271 CG MET A 82 -2.804 -4.188 1.652 1.00 0.00 C ATOM 1272 SD MET A 82 -4.427 -4.885 2.069 1.00 0.00 S ATOM 1273 CE MET A 82 -4.612 -4.126 3.703 1.00 0.00 C ATOM 0 H MET A 82 -0.279 -7.058 2.755 1.00 0.00 H new ATOM 0 HA MET A 82 -2.671 -6.825 1.253 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.867 -5.374 3.203 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.731 -4.624 2.100 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.693 -3.203 2.104 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.720 -4.055 0.573 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.350 -4.682 4.281 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.654 -4.145 4.223 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.943 -3.094 3.589 1.00 0.00 H new ATOM 1283 N LEU A 83 0.138 -5.979 -0.253 1.00 0.00 N ATOM 1284 CA LEU A 83 0.703 -5.672 -1.561 1.00 0.00 C ATOM 1285 C LEU A 83 0.382 -6.793 -2.545 1.00 0.00 C ATOM 1286 O LEU A 83 0.049 -6.538 -3.702 1.00 0.00 O ATOM 1287 CB LEU A 83 2.223 -5.495 -1.457 1.00 0.00 C ATOM 1288 CG LEU A 83 2.570 -4.506 -0.331 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.093 -4.330 -0.270 1.00 0.00 C ATOM 1290 CD2 LEU A 83 1.898 -3.138 -0.578 1.00 0.00 C ATOM 0 H LEU A 83 0.822 -6.086 0.496 1.00 0.00 H new ATOM 0 HA LEU A 83 0.263 -4.742 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.696 -6.458 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.619 -5.131 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 83 2.202 -4.903 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.347 -3.630 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.563 -5.293 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.453 -3.942 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.157 -2.454 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.246 -2.728 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.816 -3.265 -0.613 1.00 0.00 H new ATOM 1302 N ALA A 84 0.475 -8.031 -2.075 1.00 0.00 N ATOM 1303 CA ALA A 84 0.181 -9.176 -2.926 1.00 0.00 C ATOM 1304 C ALA A 84 -1.282 -9.154 -3.357 1.00 0.00 C ATOM 1305 O ALA A 84 -1.606 -9.445 -4.508 1.00 0.00 O ATOM 1306 CB ALA A 84 0.475 -10.475 -2.176 1.00 0.00 C ATOM 0 H ALA A 84 0.748 -8.266 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 84 0.813 -9.121 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.252 -11.326 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.527 -10.501 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.144 -10.526 -1.280 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.162 -8.804 -2.423 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.589 -8.744 -2.714 1.00 0.00 C ATOM 1314 C GLY A 85 -3.904 -7.615 -3.690 1.00 0.00 C ATOM 1315 O GLY A 85 -4.709 -7.778 -4.605 1.00 0.00 O ATOM 0 H GLY A 85 -1.913 -8.559 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.918 -9.694 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.146 -8.595 -1.789 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.265 -6.468 -3.484 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.484 -5.314 -4.350 1.00 0.00 C ATOM 1321 C LEU A 86 -2.955 -5.589 -5.757 1.00 0.00 C ATOM 1322 O LEU A 86 -3.577 -5.210 -6.745 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.784 -4.079 -3.760 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.487 -3.618 -2.460 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.584 -2.612 -1.731 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.853 -2.950 -2.768 1.00 0.00 C ATOM 0 H LEU A 86 -2.596 -6.313 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.556 -5.125 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.740 -4.312 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.790 -3.269 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.666 -4.492 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.073 -2.283 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.634 -3.087 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.404 -1.752 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.323 -2.637 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.697 -2.080 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.500 -3.663 -3.279 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.806 -6.249 -5.845 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.217 -6.555 -7.147 1.00 0.00 C ATOM 1340 C ALA A 87 -2.231 -7.257 -8.048 1.00 0.00 C ATOM 1341 O ALA A 87 -2.258 -7.036 -9.259 1.00 0.00 O ATOM 1342 CB ALA A 87 0.010 -7.448 -6.962 1.00 0.00 C ATOM 0 H ALA A 87 -1.268 -6.579 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.920 -5.619 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.446 -7.674 -7.935 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.746 -6.932 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.286 -8.376 -6.473 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.064 -8.098 -7.448 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.080 -8.826 -8.201 1.00 0.00 C ATOM 1350 C GLN A 88 -5.083 -7.861 -8.831 1.00 0.00 C ATOM 1351 O GLN A 88 -5.804 -8.224 -9.760 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.819 -9.795 -7.275 1.00 0.00 C ATOM 1353 CG GLN A 88 -3.850 -10.865 -6.774 1.00 0.00 C ATOM 1354 CD GLN A 88 -4.562 -11.787 -5.790 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -5.768 -11.660 -5.582 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -3.882 -12.708 -5.166 1.00 0.00 N ATOM 0 H GLN A 88 -3.057 -8.293 -6.447 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.583 -9.383 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.246 -9.253 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.648 -10.261 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.465 -11.443 -7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.993 -10.395 -6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.882 -12.810 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.350 -13.326 -4.503 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.137 -6.633 -8.308 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.073 -5.618 -8.812 1.00 0.00 C ATOM 1367 C LYS A 89 -5.398 -4.750 -9.868 1.00 0.00 C ATOM 1368 O LYS A 89 -6.003 -3.820 -10.398 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.537 -4.729 -7.655 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.193 -5.596 -6.579 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.652 -4.710 -5.419 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.299 -5.579 -4.340 1.00 0.00 C ATOM 1373 NZ LYS A 89 -7.287 -6.526 -3.796 1.00 0.00 N ATOM 0 H LYS A 89 -4.547 -6.316 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.929 -6.124 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.689 -4.188 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.244 -3.982 -8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.043 -6.133 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.487 -6.346 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.803 -4.167 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.363 -3.965 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.693 -4.952 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.141 -6.130 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.304 -6.493 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.507 -7.491 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.342 -6.256 -4.135 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.139 -5.062 -10.162 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.378 -4.310 -11.156 1.00 0.00 C ATOM 1389 C ARG A 90 -3.262 -2.843 -10.745 1.00 0.00 C ATOM 1390 O ARG A 90 -3.690 -1.946 -11.469 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.056 -4.418 -12.534 1.00 0.00 C ATOM 1392 CG ARG A 90 -3.101 -3.938 -13.635 1.00 0.00 C ATOM 1393 CD ARG A 90 -3.796 -4.038 -14.992 1.00 0.00 C ATOM 1394 NE ARG A 90 -2.907 -3.559 -16.047 1.00 0.00 N ATOM 1395 CZ ARG A 90 -2.672 -2.259 -16.216 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -1.867 -1.858 -17.161 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -3.247 -1.386 -15.435 1.00 0.00 N ATOM 0 H ARG A 90 -3.625 -5.828 -9.728 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.376 -4.734 -11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.350 -5.451 -12.723 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.967 -3.820 -12.547 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.798 -2.908 -13.445 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.194 -4.543 -13.634 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.082 -5.071 -15.188 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.714 -3.450 -14.984 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.457 -4.233 -16.666 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.417 -2.540 -17.771 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.688 -0.862 -17.290 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.876 -1.699 -14.696 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.067 -0.390 -15.564 1.00 0.00 H new ATOM 1411 N VAL A 91 -2.680 -2.605 -9.569 1.00 0.00 N ATOM 1412 CA VAL A 91 -2.498 -1.243 -9.055 1.00 0.00 C ATOM 1413 C VAL A 91 -1.155 -1.124 -8.349 1.00 0.00 C ATOM 1414 O VAL A 91 -0.924 -0.185 -7.589 1.00 0.00 O ATOM 1415 CB VAL A 91 -3.626 -0.887 -8.082 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -4.967 -0.923 -8.819 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.646 -1.893 -6.928 1.00 0.00 C ATOM 0 H VAL A 91 -2.326 -3.337 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.523 -0.550 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.459 0.114 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.770 -0.670 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.952 -0.202 -9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.135 -1.923 -9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.449 -1.638 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.811 -2.896 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.692 -1.863 -6.402 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.266 -2.090 -8.599 1.00 0.00 N ATOM 1428 CA LEU A 92 1.067 -2.095 -7.978 1.00 0.00 C ATOM 1429 C LEU A 92 2.118 -2.530 -8.991 1.00 0.00 C ATOM 1430 O LEU A 92 1.869 -3.395 -9.831 1.00 0.00 O ATOM 1431 CB LEU A 92 1.083 -3.045 -6.771 1.00 0.00 C ATOM 1432 CG LEU A 92 2.428 -2.956 -6.015 1.00 0.00 C ATOM 1433 CD1 LEU A 92 2.671 -1.525 -5.464 1.00 0.00 C ATOM 1434 CD2 LEU A 92 2.408 -3.970 -4.863 1.00 0.00 C ATOM 0 H LEU A 92 -0.442 -2.877 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 92 1.298 -1.085 -7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.265 -2.795 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.917 -4.069 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 92 3.241 -3.184 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.625 -1.495 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.690 -0.815 -6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.868 -1.259 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.351 -3.920 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.586 -3.736 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.273 -4.974 -5.265 1.00 0.00 H new ATOM 1446 N GLU A 93 3.297 -1.916 -8.898 1.00 0.00 N ATOM 1447 CA GLU A 93 4.408 -2.225 -9.797 1.00 0.00 C ATOM 1448 C GLU A 93 5.740 -2.040 -9.076 1.00 0.00 C ATOM 1449 O GLU A 93 5.779 -1.574 -7.937 1.00 0.00 O ATOM 1450 CB GLU A 93 4.351 -1.319 -11.031 1.00 0.00 C ATOM 1451 CG GLU A 93 4.380 0.153 -10.603 1.00 0.00 C ATOM 1452 CD GLU A 93 4.250 1.059 -11.825 1.00 0.00 C ATOM 1453 OE1 GLU A 93 4.299 0.548 -12.933 1.00 0.00 O ATOM 1454 OE2 GLU A 93 4.100 2.256 -11.635 1.00 0.00 O ATOM 0 H GLU A 93 3.508 -1.198 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 93 4.323 -3.264 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.194 -1.532 -11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.444 -1.523 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.567 0.353 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.311 0.369 -10.078 1.00 0.00 H new ATOM 1461 N ARG A 94 6.822 -2.417 -9.747 1.00 0.00 N ATOM 1462 CA ARG A 94 8.157 -2.305 -9.169 1.00 0.00 C ATOM 1463 C ARG A 94 9.223 -2.623 -10.215 1.00 0.00 C ATOM 1464 O ARG A 94 8.895 -3.288 -11.184 1.00 0.00 O ATOM 1465 CB ARG A 94 8.296 -3.285 -7.991 1.00 0.00 C ATOM 1466 CG ARG A 94 8.121 -4.764 -8.478 1.00 0.00 C ATOM 1467 CD ARG A 94 9.480 -5.479 -8.559 1.00 0.00 C ATOM 1468 NE ARG A 94 9.330 -6.775 -9.220 1.00 0.00 N ATOM 1469 CZ ARG A 94 8.817 -7.824 -8.581 1.00 0.00 C ATOM 1470 NH1 ARG A 94 8.713 -8.972 -9.194 1.00 0.00 N ATOM 1471 NH2 ARG A 94 8.412 -7.703 -7.347 1.00 0.00 N ATOM 1472 OXT ARG A 94 10.351 -2.196 -10.030 1.00 0.00 O ATOM 0 H ARG A 94 6.802 -2.803 -10.691 1.00 0.00 H new ATOM 0 HA ARG A 94 8.297 -1.282 -8.819 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.273 -3.164 -7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.549 -3.056 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.463 -5.301 -7.794 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.641 -4.775 -9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.191 -4.862 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.886 -5.618 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 94 9.625 -6.877 -10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.025 -9.064 -10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.320 -9.777 -8.706 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.488 -6.804 -6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.019 -8.507 -6.858 1.00 0.00 H new TER 1486 ARG A 94