USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 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 GLY N :NH3+ -109:sc= 0.0411 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.625 USER MOD Single : A 5 SER OG : rot 180:sc= -0.222 USER MOD Single : A 6 SER OG : rot 180:sc= -0.601 USER MOD Single : A 8 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.55) USER MOD Single : A 22 SER OG : rot 180:sc= -0.765 USER MOD Single : A 28 ASN : amide:sc= -0.0101 K(o=-0.01,f=-0.85) USER MOD Single : A 29 GLN : amide:sc=-0.00951 X(o=-0.0095,f=-0.0095) USER MOD Single : A 34 THR OG1 : rot -140:sc= -2.42! USER MOD Single : A 37 THR OG1 : rot 66:sc= 0.456 USER MOD Single : A 40 SER OG : rot 156:sc= -0.726 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.9) USER MOD Single : A 48 CYS SG : rot 22:sc= 0.0331 USER MOD Single : A 61 THR OG1 : rot -150:sc= 0 USER MOD Single : A 63 SER OG : rot -52:sc= 0.734 USER MOD Single : A 64 MET CE :methyl -147:sc= -6.07! (180deg=-6.96!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-8.5!) USER MOD Single : A 70 GLN : amide:sc= -8.56! C(o=-8.6!,f=-5.3!) USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.137 (180deg=-0.886) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.24 K(o=-2.2,f=-0.23) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 61:sc= 0.264 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 38:sc= 0.691 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 101 SER OG : rot -59:sc=0.000586 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.581 10.280 -6.942 1.00 0.00 N ATOM 2 CA GLY A 1 -27.602 10.327 -5.872 1.00 0.00 C ATOM 3 C GLY A 1 -27.108 8.949 -5.478 1.00 0.00 C ATOM 4 O GLY A 1 -27.830 7.961 -5.612 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.158 10.652 -7.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.882 9.296 -7.094 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.406 10.858 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.755 10.938 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.042 10.814 -5.002 1.00 0.00 H new ATOM 8 N SER A 2 -25.873 8.882 -4.991 1.00 0.00 N ATOM 9 CA SER A 2 -25.280 7.614 -4.581 1.00 0.00 C ATOM 10 C SER A 2 -25.063 7.579 -3.071 1.00 0.00 C ATOM 11 O SER A 2 -24.805 8.607 -2.446 1.00 0.00 O ATOM 12 CB SER A 2 -23.951 7.390 -5.304 1.00 0.00 C ATOM 13 OG SER A 2 -23.071 8.482 -5.103 1.00 0.00 O ATOM 0 H SER A 2 -25.263 9.691 -4.871 1.00 0.00 H new ATOM 0 HA SER A 2 -25.970 6.815 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.486 6.473 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.132 7.256 -6.371 1.00 0.00 H new ATOM 0 HG SER A 2 -22.228 8.314 -5.574 1.00 0.00 H new ATOM 19 N SER A 3 -25.171 6.387 -2.492 1.00 0.00 N ATOM 20 CA SER A 3 -24.991 6.217 -1.055 1.00 0.00 C ATOM 21 C SER A 3 -23.826 5.276 -0.761 1.00 0.00 C ATOM 22 O SER A 3 -23.993 4.058 -0.721 1.00 0.00 O ATOM 23 CB SER A 3 -26.272 5.674 -0.420 1.00 0.00 C ATOM 24 OG SER A 3 -26.677 4.466 -1.040 1.00 0.00 O ATOM 0 H SER A 3 -25.382 5.526 -2.996 1.00 0.00 H new ATOM 0 HA SER A 3 -24.765 7.193 -0.624 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.110 5.503 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.067 6.415 -0.507 1.00 0.00 H new ATOM 0 HG SER A 3 -25.896 3.889 -1.173 1.00 0.00 H new ATOM 30 N GLY A 4 -22.645 5.852 -0.556 1.00 0.00 N ATOM 31 CA GLY A 4 -21.470 5.052 -0.269 1.00 0.00 C ATOM 32 C GLY A 4 -20.753 4.602 -1.527 1.00 0.00 C ATOM 33 O GLY A 4 -21.062 3.547 -2.082 1.00 0.00 O ATOM 0 H GLY A 4 -22.482 6.858 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.783 5.630 0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.763 4.177 0.311 1.00 0.00 H new ATOM 37 N SER A 5 -19.794 5.404 -1.979 1.00 0.00 N ATOM 38 CA SER A 5 -19.035 5.085 -3.183 1.00 0.00 C ATOM 39 C SER A 5 -17.608 4.676 -2.833 1.00 0.00 C ATOM 40 O SER A 5 -16.645 5.207 -3.386 1.00 0.00 O ATOM 41 CB SER A 5 -19.017 6.285 -4.132 1.00 0.00 C ATOM 42 OG SER A 5 -18.605 5.900 -5.432 1.00 0.00 O ATOM 0 H SER A 5 -19.524 6.279 -1.530 1.00 0.00 H new ATOM 0 HA SER A 5 -19.523 4.246 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.011 6.731 -4.179 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.343 7.049 -3.745 1.00 0.00 H new ATOM 0 HG SER A 5 -18.603 6.684 -6.020 1.00 0.00 H new ATOM 48 N SER A 6 -17.480 3.729 -1.909 1.00 0.00 N ATOM 49 CA SER A 6 -16.170 3.251 -1.481 1.00 0.00 C ATOM 50 C SER A 6 -15.569 2.310 -2.521 1.00 0.00 C ATOM 51 O SER A 6 -16.033 1.185 -2.700 1.00 0.00 O ATOM 52 CB SER A 6 -16.281 2.535 -0.134 1.00 0.00 C ATOM 53 OG SER A 6 -15.102 1.803 0.153 1.00 0.00 O ATOM 0 H SER A 6 -18.267 3.278 -1.443 1.00 0.00 H new ATOM 0 HA SER A 6 -15.513 4.114 -1.374 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.461 3.265 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.137 1.861 -0.146 1.00 0.00 H new ATOM 0 HG SER A 6 -15.197 1.356 1.020 1.00 0.00 H new ATOM 59 N GLY A 7 -14.531 2.782 -3.206 1.00 0.00 N ATOM 60 CA GLY A 7 -13.882 1.971 -4.220 1.00 0.00 C ATOM 61 C GLY A 7 -13.013 0.882 -3.624 1.00 0.00 C ATOM 62 O GLY A 7 -11.828 1.094 -3.368 1.00 0.00 O ATOM 0 H GLY A 7 -14.129 3.710 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.640 1.518 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.271 2.611 -4.856 1.00 0.00 H new ATOM 66 N ASN A 8 -13.604 -0.287 -3.399 1.00 0.00 N ATOM 67 CA ASN A 8 -12.876 -1.414 -2.826 1.00 0.00 C ATOM 68 C ASN A 8 -11.926 -2.026 -3.851 1.00 0.00 C ATOM 69 O ASN A 8 -12.334 -2.379 -4.958 1.00 0.00 O ATOM 70 CB ASN A 8 -13.854 -2.477 -2.322 1.00 0.00 C ATOM 71 CG ASN A 8 -14.734 -3.024 -3.429 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.790 -2.467 -3.731 1.00 0.00 O ATOM 73 ND2 ASN A 8 -14.303 -4.122 -4.039 1.00 0.00 N ATOM 0 H ASN A 8 -14.584 -0.479 -3.605 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.287 -1.045 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.295 -3.295 -1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.482 -2.048 -1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.853 -4.537 -4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.422 -4.550 -3.756 1.00 0.00 H new ATOM 80 N VAL A 9 -10.658 -2.150 -3.475 1.00 0.00 N ATOM 81 CA VAL A 9 -9.650 -2.722 -4.360 1.00 0.00 C ATOM 82 C VAL A 9 -8.732 -3.676 -3.605 1.00 0.00 C ATOM 83 O VAL A 9 -7.873 -3.247 -2.833 1.00 0.00 O ATOM 84 CB VAL A 9 -8.798 -1.623 -5.023 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.718 -2.241 -5.899 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.677 -0.682 -5.832 1.00 0.00 C ATOM 0 H VAL A 9 -10.304 -1.862 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.184 -3.274 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.310 -1.043 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.126 -1.450 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.070 -2.870 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.183 -2.846 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.058 0.088 -6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.194 -1.245 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.409 -0.213 -5.175 1.00 0.00 H new ATOM 96 N VAL A 10 -8.917 -4.972 -3.832 1.00 0.00 N ATOM 97 CA VAL A 10 -8.105 -5.988 -3.175 1.00 0.00 C ATOM 98 C VAL A 10 -7.221 -6.720 -4.178 1.00 0.00 C ATOM 99 O VAL A 10 -7.679 -7.616 -4.888 1.00 0.00 O ATOM 100 CB VAL A 10 -8.981 -7.015 -2.434 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.173 -7.736 -1.366 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.199 -6.336 -1.826 1.00 0.00 C ATOM 0 H VAL A 10 -9.623 -5.343 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.476 -5.470 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.328 -7.756 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.809 -8.457 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.337 -8.257 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.793 -7.011 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.807 -7.077 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.875 -5.572 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.789 -5.872 -2.616 1.00 0.00 H new ATOM 112 N LEU A 11 -5.951 -6.332 -4.233 1.00 0.00 N ATOM 113 CA LEU A 11 -5.001 -6.952 -5.150 1.00 0.00 C ATOM 114 C LEU A 11 -4.524 -8.297 -4.613 1.00 0.00 C ATOM 115 O LEU A 11 -4.112 -8.422 -3.459 1.00 0.00 O ATOM 116 CB LEU A 11 -3.804 -6.027 -5.377 1.00 0.00 C ATOM 117 CG LEU A 11 -4.125 -4.540 -5.531 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.866 -3.702 -5.364 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.772 -4.270 -6.881 1.00 0.00 C ATOM 0 H LEU A 11 -5.556 -5.591 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.508 -7.121 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.115 -6.145 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.278 -6.359 -6.272 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.831 -4.258 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.114 -2.647 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.445 -3.872 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.136 -3.986 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.993 -3.207 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.090 -4.569 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.697 -4.841 -6.962 1.00 0.00 H new ATOM 131 N PRO A 12 -4.577 -9.329 -5.468 1.00 0.00 N ATOM 132 CA PRO A 12 -4.151 -10.683 -5.102 1.00 0.00 C ATOM 133 C PRO A 12 -2.641 -10.787 -4.919 1.00 0.00 C ATOM 134 O PRO A 12 -1.874 -10.523 -5.844 1.00 0.00 O ATOM 135 CB PRO A 12 -4.604 -11.532 -6.293 1.00 0.00 C ATOM 136 CG PRO A 12 -4.653 -10.580 -7.439 1.00 0.00 C ATOM 137 CD PRO A 12 -5.056 -9.253 -6.858 1.00 0.00 C ATOM 0 HA PRO A 12 -4.575 -10.999 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.907 -12.348 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.580 -11.982 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.683 -10.512 -7.932 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.370 -10.911 -8.191 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.598 -8.423 -7.396 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.135 -9.105 -6.904 1.00 0.00 H new ATOM 145 N GLY A 13 -2.220 -11.173 -3.718 1.00 0.00 N ATOM 146 CA GLY A 13 -0.803 -11.304 -3.435 1.00 0.00 C ATOM 147 C GLY A 13 -0.347 -12.750 -3.418 1.00 0.00 C ATOM 148 O GLY A 13 -0.930 -13.615 -4.072 1.00 0.00 O ATOM 0 H GLY A 13 -2.835 -11.397 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.233 -10.755 -4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.584 -10.846 -2.471 1.00 0.00 H new ATOM 152 N PRO A 14 0.721 -13.028 -2.656 1.00 0.00 N ATOM 153 CA PRO A 14 1.423 -12.007 -1.873 1.00 0.00 C ATOM 154 C PRO A 14 2.186 -11.024 -2.755 1.00 0.00 C ATOM 155 O PRO A 14 2.164 -11.129 -3.981 1.00 0.00 O ATOM 156 CB PRO A 14 2.395 -12.822 -1.016 1.00 0.00 C ATOM 157 CG PRO A 14 2.619 -14.077 -1.788 1.00 0.00 C ATOM 158 CD PRO A 14 1.326 -14.362 -2.499 1.00 0.00 C ATOM 0 HA PRO A 14 0.734 -11.393 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.329 -12.283 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.975 -13.032 -0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.437 -13.957 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.890 -14.899 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.495 -14.842 -3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.687 -15.027 -1.919 1.00 0.00 H new ATOM 166 N ALA A 15 2.861 -10.070 -2.123 1.00 0.00 N ATOM 167 CA ALA A 15 3.633 -9.070 -2.851 1.00 0.00 C ATOM 168 C ALA A 15 4.748 -9.721 -3.662 1.00 0.00 C ATOM 169 O ALA A 15 5.061 -10.900 -3.498 1.00 0.00 O ATOM 170 CB ALA A 15 4.210 -8.044 -1.886 1.00 0.00 C ATOM 0 H ALA A 15 2.889 -9.968 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 15 2.962 -8.564 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.784 -7.303 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.398 -7.549 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.862 -8.544 -1.170 1.00 0.00 H new ATOM 176 N PRO A 16 5.362 -8.937 -4.561 1.00 0.00 N ATOM 177 CA PRO A 16 4.998 -7.532 -4.766 1.00 0.00 C ATOM 178 C PRO A 16 3.629 -7.377 -5.421 1.00 0.00 C ATOM 179 O PRO A 16 2.958 -8.366 -5.717 1.00 0.00 O ATOM 180 CB PRO A 16 6.097 -7.012 -5.695 1.00 0.00 C ATOM 181 CG PRO A 16 6.586 -8.220 -6.417 1.00 0.00 C ATOM 182 CD PRO A 16 6.459 -9.362 -5.446 1.00 0.00 C ATOM 0 HA PRO A 16 4.925 -6.989 -3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.709 -6.266 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.899 -6.536 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.996 -8.404 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.620 -8.092 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.226 -10.298 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.383 -9.523 -4.891 1.00 0.00 H new ATOM 190 N TRP A 17 3.223 -6.133 -5.644 1.00 0.00 N ATOM 191 CA TRP A 17 1.934 -5.850 -6.265 1.00 0.00 C ATOM 192 C TRP A 17 2.116 -5.346 -7.692 1.00 0.00 C ATOM 193 O TRP A 17 1.615 -5.947 -8.642 1.00 0.00 O ATOM 194 CB TRP A 17 1.163 -4.817 -5.441 1.00 0.00 C ATOM 195 CG TRP A 17 1.056 -5.176 -3.989 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.637 -4.524 -2.939 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.325 -6.272 -3.429 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.311 -5.149 -1.760 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.507 -6.223 -2.033 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.467 -7.288 -3.970 1.00 0.00 C ATOM 201 CZ2 TRP A 17 -0.074 -7.153 -1.175 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -1.042 -8.210 -3.117 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.844 -8.137 -1.732 1.00 0.00 C ATOM 0 H TRP A 17 3.767 -5.304 -5.404 1.00 0.00 H new ATOM 0 HA TRP A 17 1.363 -6.778 -6.297 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.655 -3.849 -5.533 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.161 -4.706 -5.856 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.261 -3.646 -3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.618 -4.860 -0.831 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.627 -7.351 -5.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.078 -7.099 -0.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.655 -9.001 -3.525 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.308 -8.872 -1.091 1.00 0.00 H new ATOM 214 N GLY A 18 2.838 -4.239 -7.837 1.00 0.00 N ATOM 215 CA GLY A 18 3.073 -3.673 -9.153 1.00 0.00 C ATOM 216 C GLY A 18 2.474 -2.289 -9.305 1.00 0.00 C ATOM 217 O GLY A 18 2.112 -1.879 -10.408 1.00 0.00 O ATOM 0 H GLY A 18 3.264 -3.724 -7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.146 -3.623 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.650 -4.334 -9.910 1.00 0.00 H new ATOM 221 N PHE A 19 2.368 -1.567 -8.194 1.00 0.00 N ATOM 222 CA PHE A 19 1.806 -0.222 -8.208 1.00 0.00 C ATOM 223 C PHE A 19 2.634 0.723 -7.342 1.00 0.00 C ATOM 224 O PHE A 19 3.116 0.342 -6.275 1.00 0.00 O ATOM 225 CB PHE A 19 0.357 -0.246 -7.715 1.00 0.00 C ATOM 226 CG PHE A 19 0.231 -0.132 -6.223 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.400 -1.243 -5.413 1.00 0.00 C ATOM 228 CD2 PHE A 19 -0.058 1.087 -5.630 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.283 -1.141 -4.039 1.00 0.00 C ATOM 230 CE2 PHE A 19 -0.175 1.196 -4.257 1.00 0.00 C ATOM 231 CZ PHE A 19 -0.004 0.080 -3.461 1.00 0.00 C ATOM 0 H PHE A 19 2.664 -1.891 -7.273 1.00 0.00 H new ATOM 0 HA PHE A 19 1.827 0.142 -9.235 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.191 0.572 -8.182 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.115 -1.173 -8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.626 -2.200 -5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.193 1.962 -6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.416 -2.015 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.400 2.152 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.095 0.162 -2.388 1.00 0.00 H new ATOM 241 N ARG A 20 2.795 1.957 -7.810 1.00 0.00 N ATOM 242 CA ARG A 20 3.566 2.956 -7.080 1.00 0.00 C ATOM 243 C ARG A 20 2.644 3.904 -6.318 1.00 0.00 C ATOM 244 O ARG A 20 1.422 3.838 -6.451 1.00 0.00 O ATOM 245 CB ARG A 20 4.451 3.751 -8.042 1.00 0.00 C ATOM 246 CG ARG A 20 5.298 2.877 -8.952 1.00 0.00 C ATOM 247 CD ARG A 20 6.134 1.888 -8.155 1.00 0.00 C ATOM 248 NE ARG A 20 7.196 2.550 -7.402 1.00 0.00 N ATOM 249 CZ ARG A 20 7.908 1.951 -6.454 1.00 0.00 C ATOM 250 NH1 ARG A 20 7.673 0.684 -6.145 1.00 0.00 N ATOM 251 NH2 ARG A 20 8.858 2.621 -5.813 1.00 0.00 N ATOM 0 H ARG A 20 2.402 2.288 -8.691 1.00 0.00 H new ATOM 0 HA ARG A 20 4.199 2.436 -6.361 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.820 4.395 -8.655 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.107 4.403 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.652 2.335 -9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.953 3.506 -9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.490 1.340 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.573 1.156 -8.833 1.00 0.00 H new ATOM 0 HE ARG A 20 7.402 3.526 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.944 0.166 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.221 0.227 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.042 3.596 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.404 2.160 -5.085 1.00 0.00 H new ATOM 265 N LEU A 21 3.239 4.784 -5.520 1.00 0.00 N ATOM 266 CA LEU A 21 2.472 5.746 -4.736 1.00 0.00 C ATOM 267 C LEU A 21 3.028 7.156 -4.908 1.00 0.00 C ATOM 268 O LEU A 21 4.181 7.335 -5.300 1.00 0.00 O ATOM 269 CB LEU A 21 2.488 5.356 -3.257 1.00 0.00 C ATOM 270 CG LEU A 21 3.756 4.662 -2.759 1.00 0.00 C ATOM 271 CD1 LEU A 21 4.981 5.512 -3.056 1.00 0.00 C ATOM 272 CD2 LEU A 21 3.655 4.370 -1.269 1.00 0.00 C ATOM 0 H LEU A 21 4.250 4.851 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 21 1.444 5.735 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.334 6.257 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.640 4.699 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 21 3.860 3.714 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.874 5.002 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.063 5.669 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.885 6.475 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.566 3.876 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.526 5.305 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.800 3.720 -1.083 1.00 0.00 H new ATOM 284 N SER A 22 2.201 8.153 -4.611 1.00 0.00 N ATOM 285 CA SER A 22 2.610 9.547 -4.734 1.00 0.00 C ATOM 286 C SER A 22 1.992 10.395 -3.626 1.00 0.00 C ATOM 287 O SER A 22 0.849 10.177 -3.227 1.00 0.00 O ATOM 288 CB SER A 22 2.204 10.101 -6.101 1.00 0.00 C ATOM 289 OG SER A 22 3.201 10.965 -6.618 1.00 0.00 O ATOM 0 H SER A 22 1.244 8.021 -4.284 1.00 0.00 H new ATOM 0 HA SER A 22 3.695 9.591 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.036 9.278 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.261 10.641 -6.013 1.00 0.00 H new ATOM 0 HG SER A 22 2.918 11.304 -7.493 1.00 0.00 H new ATOM 295 N GLY A 23 2.758 11.363 -3.133 1.00 0.00 N ATOM 296 CA GLY A 23 2.270 12.229 -2.076 1.00 0.00 C ATOM 297 C GLY A 23 2.649 11.730 -0.696 1.00 0.00 C ATOM 298 O GLY A 23 3.669 11.062 -0.528 1.00 0.00 O ATOM 0 H GLY A 23 3.708 11.563 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.671 13.233 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.185 12.306 -2.146 1.00 0.00 H new ATOM 302 N GLY A 24 1.827 12.055 0.297 1.00 0.00 N ATOM 303 CA GLY A 24 2.100 11.628 1.657 1.00 0.00 C ATOM 304 C GLY A 24 1.654 12.649 2.685 1.00 0.00 C ATOM 305 O GLY A 24 1.947 13.838 2.557 1.00 0.00 O ATOM 0 H GLY A 24 0.977 12.607 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.594 10.681 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.169 11.446 1.770 1.00 0.00 H new ATOM 309 N ILE A 25 0.942 12.185 3.707 1.00 0.00 N ATOM 310 CA ILE A 25 0.455 13.066 4.761 1.00 0.00 C ATOM 311 C ILE A 25 1.568 13.971 5.278 1.00 0.00 C ATOM 312 O ILE A 25 1.306 15.004 5.895 1.00 0.00 O ATOM 313 CB ILE A 25 -0.129 12.265 5.939 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.912 11.285 6.485 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.385 11.525 5.505 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.756 10.998 7.961 1.00 0.00 C ATOM 0 H ILE A 25 0.690 11.204 3.827 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.333 13.678 4.322 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.397 12.960 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.843 10.348 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.908 11.688 6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.786 10.963 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.129 12.243 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.141 10.838 4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.527 10.296 8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.855 11.926 8.525 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.227 10.565 8.146 1.00 0.00 H new ATOM 328 N ASP A 26 2.811 13.578 5.022 1.00 0.00 N ATOM 329 CA ASP A 26 3.964 14.355 5.459 1.00 0.00 C ATOM 330 C ASP A 26 4.248 15.499 4.490 1.00 0.00 C ATOM 331 O ASP A 26 4.703 16.570 4.893 1.00 0.00 O ATOM 332 CB ASP A 26 5.196 13.456 5.580 1.00 0.00 C ATOM 333 CG ASP A 26 6.489 14.247 5.618 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.894 14.772 4.560 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.094 14.341 6.706 1.00 0.00 O ATOM 0 H ASP A 26 3.045 12.725 4.514 1.00 0.00 H new ATOM 0 HA ASP A 26 3.735 14.779 6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.115 12.854 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.221 12.764 4.738 1.00 0.00 H new ATOM 340 N PHE A 27 3.977 15.264 3.211 1.00 0.00 N ATOM 341 CA PHE A 27 4.205 16.274 2.183 1.00 0.00 C ATOM 342 C PHE A 27 2.921 17.041 1.880 1.00 0.00 C ATOM 343 O PHE A 27 2.816 17.716 0.857 1.00 0.00 O ATOM 344 CB PHE A 27 4.736 15.621 0.906 1.00 0.00 C ATOM 345 CG PHE A 27 6.062 14.939 1.088 1.00 0.00 C ATOM 346 CD1 PHE A 27 6.128 13.643 1.575 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.242 15.593 0.772 1.00 0.00 C ATOM 348 CE1 PHE A 27 7.346 13.012 1.743 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.463 14.967 0.938 1.00 0.00 C ATOM 350 CZ PHE A 27 8.515 13.676 1.425 1.00 0.00 C ATOM 0 H PHE A 27 3.599 14.384 2.861 1.00 0.00 H new ATOM 0 HA PHE A 27 4.948 16.978 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.008 14.892 0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.831 16.382 0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.217 13.120 1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.207 16.603 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.384 12.001 2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.376 15.487 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.468 13.186 1.557 1.00 0.00 H new ATOM 360 N ASN A 28 1.947 16.930 2.778 1.00 0.00 N ATOM 361 CA ASN A 28 0.669 17.612 2.607 1.00 0.00 C ATOM 362 C ASN A 28 0.063 17.297 1.243 1.00 0.00 C ATOM 363 O ASN A 28 -0.473 18.179 0.572 1.00 0.00 O ATOM 364 CB ASN A 28 0.849 19.124 2.760 1.00 0.00 C ATOM 365 CG ASN A 28 1.644 19.489 3.999 1.00 0.00 C ATOM 366 OD1 ASN A 28 2.870 19.387 4.015 1.00 0.00 O ATOM 367 ND2 ASN A 28 0.945 19.916 5.044 1.00 0.00 N ATOM 0 H ASN A 28 2.018 16.375 3.631 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.012 17.254 3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.354 19.518 1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.130 19.601 2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.424 20.176 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.071 19.984 4.984 1.00 0.00 H new ATOM 374 N GLN A 29 0.151 16.033 0.840 1.00 0.00 N ATOM 375 CA GLN A 29 -0.389 15.602 -0.444 1.00 0.00 C ATOM 376 C GLN A 29 -1.089 14.253 -0.314 1.00 0.00 C ATOM 377 O GLN A 29 -0.746 13.427 0.531 1.00 0.00 O ATOM 378 CB GLN A 29 0.727 15.512 -1.486 1.00 0.00 C ATOM 379 CG GLN A 29 1.158 16.863 -2.034 1.00 0.00 C ATOM 380 CD GLN A 29 0.253 17.358 -3.145 1.00 0.00 C ATOM 381 OE1 GLN A 29 -0.508 18.309 -2.963 1.00 0.00 O ATOM 382 NE2 GLN A 29 0.330 16.715 -4.304 1.00 0.00 N ATOM 0 H GLN A 29 0.591 15.290 1.384 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.121 16.341 -0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.590 15.018 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.392 14.884 -2.312 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.166 17.593 -1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.179 16.790 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.975 15.932 -4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.256 17.004 -5.088 1.00 0.00 H new ATOM 391 N PRO A 30 -2.095 14.023 -1.171 1.00 0.00 N ATOM 392 CA PRO A 30 -2.865 12.776 -1.172 1.00 0.00 C ATOM 393 C PRO A 30 -2.044 11.589 -1.665 1.00 0.00 C ATOM 394 O PRO A 30 -1.183 11.734 -2.533 1.00 0.00 O ATOM 395 CB PRO A 30 -4.014 13.069 -2.140 1.00 0.00 C ATOM 396 CG PRO A 30 -3.488 14.130 -3.044 1.00 0.00 C ATOM 397 CD PRO A 30 -2.558 14.964 -2.206 1.00 0.00 C ATOM 0 HA PRO A 30 -3.193 12.499 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.297 12.177 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.903 13.407 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.963 13.694 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.299 14.736 -3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.728 15.354 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.070 15.821 -1.769 1.00 0.00 H new ATOM 405 N LEU A 31 -2.317 10.415 -1.106 1.00 0.00 N ATOM 406 CA LEU A 31 -1.604 9.201 -1.489 1.00 0.00 C ATOM 407 C LEU A 31 -2.232 8.568 -2.727 1.00 0.00 C ATOM 408 O LEU A 31 -3.199 7.813 -2.628 1.00 0.00 O ATOM 409 CB LEU A 31 -1.606 8.199 -0.333 1.00 0.00 C ATOM 410 CG LEU A 31 -0.608 8.471 0.792 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.900 7.582 1.991 1.00 0.00 C ATOM 412 CD2 LEU A 31 0.818 8.260 0.304 1.00 0.00 C ATOM 0 H LEU A 31 -3.027 10.278 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.575 9.472 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.608 8.171 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.405 7.207 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.714 9.511 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.179 7.790 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.907 7.783 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.823 6.536 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.514 8.458 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.938 7.231 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.024 8.940 -0.523 1.00 0.00 H new ATOM 424 N VAL A 32 -1.673 8.880 -3.892 1.00 0.00 N ATOM 425 CA VAL A 32 -2.176 8.340 -5.150 1.00 0.00 C ATOM 426 C VAL A 32 -1.134 7.454 -5.822 1.00 0.00 C ATOM 427 O VAL A 32 -0.001 7.344 -5.353 1.00 0.00 O ATOM 428 CB VAL A 32 -2.582 9.464 -6.121 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.784 10.226 -5.584 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.412 10.403 -6.368 1.00 0.00 C ATOM 0 H VAL A 32 -0.872 9.504 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.056 7.743 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.864 9.014 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.056 11.016 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.624 9.542 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.534 10.666 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.717 11.191 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.097 10.848 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.582 9.844 -6.801 1.00 0.00 H new ATOM 440 N ILE A 33 -1.524 6.823 -6.925 1.00 0.00 N ATOM 441 CA ILE A 33 -0.623 5.948 -7.664 1.00 0.00 C ATOM 442 C ILE A 33 0.279 6.748 -8.597 1.00 0.00 C ATOM 443 O ILE A 33 -0.181 7.644 -9.306 1.00 0.00 O ATOM 444 CB ILE A 33 -1.401 4.906 -8.489 1.00 0.00 C ATOM 445 CG1 ILE A 33 -2.276 4.048 -7.573 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.440 4.033 -9.282 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.119 3.036 -8.317 1.00 0.00 C ATOM 0 H ILE A 33 -2.458 6.902 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.010 5.431 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.048 5.431 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.638 3.524 -6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.931 4.700 -6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.005 3.302 -9.860 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.144 4.657 -9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.230 3.514 -8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.713 2.464 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.782 3.554 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.470 2.360 -8.873 1.00 0.00 H new ATOM 459 N THR A 34 1.567 6.419 -8.593 1.00 0.00 N ATOM 460 CA THR A 34 2.534 7.106 -9.439 1.00 0.00 C ATOM 461 C THR A 34 2.787 6.330 -10.727 1.00 0.00 C ATOM 462 O THR A 34 3.132 6.911 -11.756 1.00 0.00 O ATOM 463 CB THR A 34 3.873 7.314 -8.707 1.00 0.00 C ATOM 464 OG1 THR A 34 4.022 6.338 -7.670 1.00 0.00 O ATOM 465 CG2 THR A 34 3.952 8.711 -8.111 1.00 0.00 C ATOM 0 H THR A 34 1.964 5.680 -8.013 1.00 0.00 H new ATOM 0 HA THR A 34 2.106 8.079 -9.682 1.00 0.00 H new ATOM 0 HB THR A 34 4.679 7.199 -9.431 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.419 6.759 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.906 8.835 -7.599 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.868 9.451 -8.907 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.138 8.850 -7.399 1.00 0.00 H new ATOM 473 N ARG A 35 2.614 5.014 -10.663 1.00 0.00 N ATOM 474 CA ARG A 35 2.824 4.158 -11.824 1.00 0.00 C ATOM 475 C ARG A 35 2.181 2.790 -11.616 1.00 0.00 C ATOM 476 O ARG A 35 1.921 2.382 -10.483 1.00 0.00 O ATOM 477 CB ARG A 35 4.320 3.993 -12.099 1.00 0.00 C ATOM 478 CG ARG A 35 4.921 5.134 -12.904 1.00 0.00 C ATOM 479 CD ARG A 35 6.254 4.739 -13.521 1.00 0.00 C ATOM 480 NE ARG A 35 7.172 4.183 -12.531 1.00 0.00 N ATOM 481 CZ ARG A 35 8.483 4.078 -12.722 1.00 0.00 C ATOM 482 NH1 ARG A 35 9.025 4.488 -13.860 1.00 0.00 N ATOM 483 NH2 ARG A 35 9.253 3.561 -11.773 1.00 0.00 N ATOM 0 H ARG A 35 2.329 4.517 -9.819 1.00 0.00 H new ATOM 0 HA ARG A 35 2.353 4.634 -12.684 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.849 3.912 -11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.481 3.057 -12.634 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.228 5.430 -13.691 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.060 6.002 -12.259 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.085 4.007 -14.310 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.710 5.612 -13.988 1.00 0.00 H new ATOM 0 HE ARG A 35 6.786 3.858 -11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.436 4.885 -14.592 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.031 4.406 -14.004 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.839 3.244 -10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.259 3.481 -11.920 1.00 0.00 H new ATOM 497 N ILE A 36 1.926 2.088 -12.715 1.00 0.00 N ATOM 498 CA ILE A 36 1.314 0.767 -12.652 1.00 0.00 C ATOM 499 C ILE A 36 1.949 -0.182 -13.663 1.00 0.00 C ATOM 500 O ILE A 36 2.339 0.228 -14.757 1.00 0.00 O ATOM 501 CB ILE A 36 -0.203 0.836 -12.912 1.00 0.00 C ATOM 502 CG1 ILE A 36 -0.878 1.742 -11.880 1.00 0.00 C ATOM 503 CG2 ILE A 36 -0.810 -0.558 -12.879 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.030 1.099 -10.519 1.00 0.00 C ATOM 0 H ILE A 36 2.134 2.412 -13.660 1.00 0.00 H new ATOM 0 HA ILE A 36 1.485 0.388 -11.644 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.368 1.259 -13.903 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.296 2.658 -11.777 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.863 2.029 -12.249 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.882 -0.492 -13.064 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.346 -1.175 -13.648 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.638 -1.007 -11.901 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.516 1.798 -9.838 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.637 0.198 -10.608 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.047 0.837 -10.129 1.00 0.00 H new ATOM 516 N THR A 37 2.048 -1.455 -13.291 1.00 0.00 N ATOM 517 CA THR A 37 2.634 -2.463 -14.165 1.00 0.00 C ATOM 518 C THR A 37 1.642 -2.910 -15.232 1.00 0.00 C ATOM 519 O THR A 37 0.573 -3.443 -14.935 1.00 0.00 O ATOM 520 CB THR A 37 3.102 -3.694 -13.367 1.00 0.00 C ATOM 521 OG1 THR A 37 3.936 -3.284 -12.277 1.00 0.00 O ATOM 522 CG2 THR A 37 3.865 -4.661 -14.260 1.00 0.00 C ATOM 0 H THR A 37 1.730 -1.812 -12.390 1.00 0.00 H new ATOM 0 HA THR A 37 3.496 -2.001 -14.646 1.00 0.00 H new ATOM 0 HB THR A 37 2.220 -4.203 -12.978 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.406 -2.765 -11.637 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.185 -5.522 -13.674 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.218 -4.995 -15.071 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.739 -4.160 -14.676 1.00 0.00 H new ATOM 530 N PRO A 38 2.001 -2.690 -16.505 1.00 0.00 N ATOM 531 CA PRO A 38 1.156 -3.064 -17.643 1.00 0.00 C ATOM 532 C PRO A 38 1.067 -4.575 -17.826 1.00 0.00 C ATOM 533 O PRO A 38 2.031 -5.218 -18.240 1.00 0.00 O ATOM 534 CB PRO A 38 1.864 -2.421 -18.838 1.00 0.00 C ATOM 535 CG PRO A 38 3.288 -2.303 -18.416 1.00 0.00 C ATOM 536 CD PRO A 38 3.261 -2.059 -16.932 1.00 0.00 C ATOM 0 HA PRO A 38 0.126 -2.732 -17.512 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.766 -3.035 -19.733 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.438 -1.445 -19.072 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.842 -3.212 -18.652 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.783 -1.484 -18.937 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.122 -2.506 -16.436 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.276 -0.994 -16.700 1.00 0.00 H new ATOM 544 N GLY A 39 -0.097 -5.137 -17.515 1.00 0.00 N ATOM 545 CA GLY A 39 -0.290 -6.569 -17.653 1.00 0.00 C ATOM 546 C GLY A 39 0.208 -7.340 -16.447 1.00 0.00 C ATOM 547 O GLY A 39 1.137 -8.140 -16.554 1.00 0.00 O ATOM 0 H GLY A 39 -0.910 -4.626 -17.170 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.350 -6.777 -17.801 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.231 -6.918 -18.544 1.00 0.00 H new ATOM 551 N SER A 40 -0.410 -7.098 -15.296 1.00 0.00 N ATOM 552 CA SER A 40 -0.020 -7.772 -14.062 1.00 0.00 C ATOM 553 C SER A 40 -1.041 -7.516 -12.958 1.00 0.00 C ATOM 554 O SER A 40 -2.081 -6.898 -13.187 1.00 0.00 O ATOM 555 CB SER A 40 1.363 -7.298 -13.613 1.00 0.00 C ATOM 556 OG SER A 40 1.263 -6.194 -12.731 1.00 0.00 O ATOM 0 H SER A 40 -1.183 -6.441 -15.191 1.00 0.00 H new ATOM 0 HA SER A 40 0.017 -8.844 -14.258 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.888 -8.115 -13.119 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.956 -7.019 -14.484 1.00 0.00 H new ATOM 0 HG SER A 40 2.066 -6.149 -12.171 1.00 0.00 H new ATOM 562 N LYS A 41 -0.737 -7.998 -11.757 1.00 0.00 N ATOM 563 CA LYS A 41 -1.626 -7.822 -10.615 1.00 0.00 C ATOM 564 C LYS A 41 -1.970 -6.350 -10.415 1.00 0.00 C ATOM 565 O LYS A 41 -3.011 -6.018 -9.849 1.00 0.00 O ATOM 566 CB LYS A 41 -0.976 -8.381 -9.347 1.00 0.00 C ATOM 567 CG LYS A 41 -0.489 -9.813 -9.494 1.00 0.00 C ATOM 568 CD LYS A 41 -1.560 -10.811 -9.087 1.00 0.00 C ATOM 569 CE LYS A 41 -1.164 -12.233 -9.454 1.00 0.00 C ATOM 570 NZ LYS A 41 -0.361 -12.880 -8.380 1.00 0.00 N ATOM 0 H LYS A 41 0.118 -8.513 -11.550 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.548 -8.368 -10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.134 -7.746 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.694 -8.333 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.196 -9.994 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.399 -9.961 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.731 -10.745 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.501 -10.556 -9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.061 -12.823 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.590 -12.222 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.111 -13.847 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.508 -12.332 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.918 -12.913 -7.502 1.00 0.00 H new ATOM 584 N ALA A 42 -1.090 -5.472 -10.884 1.00 0.00 N ATOM 585 CA ALA A 42 -1.304 -4.035 -10.760 1.00 0.00 C ATOM 586 C ALA A 42 -2.362 -3.550 -11.745 1.00 0.00 C ATOM 587 O ALA A 42 -3.477 -3.208 -11.354 1.00 0.00 O ATOM 588 CB ALA A 42 0.004 -3.287 -10.975 1.00 0.00 C ATOM 0 H ALA A 42 -0.222 -5.730 -11.353 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.665 -3.832 -9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.170 -2.215 -10.880 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.732 -3.604 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.388 -3.505 -11.971 1.00 0.00 H new ATOM 594 N ALA A 43 -2.004 -3.522 -13.025 1.00 0.00 N ATOM 595 CA ALA A 43 -2.923 -3.080 -14.066 1.00 0.00 C ATOM 596 C ALA A 43 -4.146 -3.988 -14.140 1.00 0.00 C ATOM 597 O ALA A 43 -5.279 -3.514 -14.214 1.00 0.00 O ATOM 598 CB ALA A 43 -2.214 -3.036 -15.412 1.00 0.00 C ATOM 0 H ALA A 43 -1.084 -3.800 -13.365 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.263 -2.076 -13.814 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.912 -2.704 -16.180 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.376 -2.341 -15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.846 -4.031 -15.662 1.00 0.00 H new ATOM 604 N ALA A 44 -3.909 -5.296 -14.120 1.00 0.00 N ATOM 605 CA ALA A 44 -4.992 -6.269 -14.183 1.00 0.00 C ATOM 606 C ALA A 44 -6.052 -5.981 -13.126 1.00 0.00 C ATOM 607 O ALA A 44 -7.221 -6.326 -13.295 1.00 0.00 O ATOM 608 CB ALA A 44 -4.445 -7.679 -14.013 1.00 0.00 C ATOM 0 H ALA A 44 -2.977 -5.706 -14.061 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.462 -6.188 -15.163 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.265 -8.396 -14.062 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.730 -7.890 -14.808 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.948 -7.762 -13.047 1.00 0.00 H new ATOM 614 N ALA A 45 -5.636 -5.346 -12.035 1.00 0.00 N ATOM 615 CA ALA A 45 -6.551 -5.010 -10.951 1.00 0.00 C ATOM 616 C ALA A 45 -7.234 -3.670 -11.204 1.00 0.00 C ATOM 617 O ALA A 45 -7.744 -3.038 -10.280 1.00 0.00 O ATOM 618 CB ALA A 45 -5.809 -4.983 -9.623 1.00 0.00 C ATOM 0 H ALA A 45 -4.671 -5.054 -11.879 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.322 -5.779 -10.909 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.505 -4.731 -8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.373 -5.963 -9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.017 -4.236 -9.664 1.00 0.00 H new ATOM 624 N ASN A 46 -7.238 -3.242 -12.462 1.00 0.00 N ATOM 625 CA ASN A 46 -7.858 -1.976 -12.837 1.00 0.00 C ATOM 626 C ASN A 46 -7.217 -0.813 -12.084 1.00 0.00 C ATOM 627 O ASN A 46 -7.905 0.100 -11.628 1.00 0.00 O ATOM 628 CB ASN A 46 -9.361 -2.015 -12.552 1.00 0.00 C ATOM 629 CG ASN A 46 -9.998 -3.319 -12.992 1.00 0.00 C ATOM 630 OD1 ASN A 46 -9.934 -4.324 -12.284 1.00 0.00 O ATOM 631 ND2 ASN A 46 -10.618 -3.307 -14.166 1.00 0.00 N ATOM 0 H ASN A 46 -6.819 -3.753 -13.239 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.701 -1.826 -13.905 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.530 -1.873 -11.485 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.847 -1.185 -13.065 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.066 -4.154 -14.515 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.646 -2.451 -14.719 1.00 0.00 H new ATOM 638 N LEU A 47 -5.895 -0.854 -11.960 1.00 0.00 N ATOM 639 CA LEU A 47 -5.159 0.196 -11.263 1.00 0.00 C ATOM 640 C LEU A 47 -4.497 1.147 -12.256 1.00 0.00 C ATOM 641 O LEU A 47 -3.981 0.721 -13.289 1.00 0.00 O ATOM 642 CB LEU A 47 -4.102 -0.418 -10.345 1.00 0.00 C ATOM 643 CG LEU A 47 -4.618 -1.390 -9.283 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.468 -2.186 -8.685 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.373 -0.641 -8.195 1.00 0.00 C ATOM 0 H LEU A 47 -5.311 -1.602 -12.333 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.868 0.764 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.372 -0.941 -10.963 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.572 0.391 -9.842 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.307 -2.087 -9.760 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.854 -2.872 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.970 -2.753 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.755 -1.504 -8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.733 -1.349 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.707 0.080 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.221 -0.117 -8.636 1.00 0.00 H new ATOM 657 N CYS A 48 -4.515 2.436 -11.933 1.00 0.00 N ATOM 658 CA CYS A 48 -3.915 3.447 -12.796 1.00 0.00 C ATOM 659 C CYS A 48 -3.237 4.535 -11.969 1.00 0.00 C ATOM 660 O CYS A 48 -3.645 4.842 -10.848 1.00 0.00 O ATOM 661 CB CYS A 48 -4.977 4.068 -13.704 1.00 0.00 C ATOM 662 SG CYS A 48 -5.314 3.116 -15.204 1.00 0.00 S ATOM 0 H CYS A 48 -4.938 2.805 -11.081 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.159 2.960 -13.413 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.903 4.177 -13.140 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.656 5.071 -13.987 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.956 1.879 -15.023 1.00 0.00 H new ATOM 668 N PRO A 49 -2.176 5.132 -12.531 1.00 0.00 N ATOM 669 CA PRO A 49 -1.418 6.193 -11.862 1.00 0.00 C ATOM 670 C PRO A 49 -2.212 7.490 -11.751 1.00 0.00 C ATOM 671 O PRO A 49 -2.181 8.327 -12.652 1.00 0.00 O ATOM 672 CB PRO A 49 -0.201 6.387 -12.770 1.00 0.00 C ATOM 673 CG PRO A 49 -0.655 5.930 -14.114 1.00 0.00 C ATOM 674 CD PRO A 49 -1.634 4.816 -13.863 1.00 0.00 C ATOM 0 HA PRO A 49 -1.163 5.927 -10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.114 7.430 -12.792 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.651 5.804 -12.420 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.124 6.745 -14.666 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.187 5.582 -14.713 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.418 4.791 -14.620 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.146 3.841 -13.877 1.00 0.00 H new ATOM 682 N GLY A 50 -2.922 7.651 -10.638 1.00 0.00 N ATOM 683 CA GLY A 50 -3.713 8.850 -10.430 1.00 0.00 C ATOM 684 C GLY A 50 -4.750 8.677 -9.338 1.00 0.00 C ATOM 685 O GLY A 50 -5.107 9.637 -8.654 1.00 0.00 O ATOM 0 H GLY A 50 -2.963 6.973 -9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.052 9.677 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.212 9.119 -11.361 1.00 0.00 H new ATOM 689 N ASP A 51 -5.236 7.452 -9.173 1.00 0.00 N ATOM 690 CA ASP A 51 -6.238 7.157 -8.156 1.00 0.00 C ATOM 691 C ASP A 51 -5.760 7.601 -6.777 1.00 0.00 C ATOM 692 O ASP A 51 -4.559 7.711 -6.531 1.00 0.00 O ATOM 693 CB ASP A 51 -6.557 5.661 -8.143 1.00 0.00 C ATOM 694 CG ASP A 51 -7.643 5.291 -9.133 1.00 0.00 C ATOM 695 OD1 ASP A 51 -7.323 5.119 -10.328 1.00 0.00 O ATOM 696 OD2 ASP A 51 -8.813 5.174 -8.714 1.00 0.00 O ATOM 0 H ASP A 51 -4.952 6.647 -9.731 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.144 7.711 -8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.653 5.098 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.868 5.368 -7.140 1.00 0.00 H new ATOM 701 N VAL A 52 -6.709 7.854 -5.881 1.00 0.00 N ATOM 702 CA VAL A 52 -6.385 8.286 -4.527 1.00 0.00 C ATOM 703 C VAL A 52 -6.417 7.113 -3.553 1.00 0.00 C ATOM 704 O VAL A 52 -7.185 6.167 -3.731 1.00 0.00 O ATOM 705 CB VAL A 52 -7.359 9.373 -4.036 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.959 9.865 -2.653 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.413 10.527 -5.026 1.00 0.00 C ATOM 0 H VAL A 52 -7.708 7.767 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.377 8.700 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.356 8.937 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.659 10.633 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.977 9.031 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.954 10.284 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.106 11.286 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.420 10.963 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.752 10.160 -5.995 1.00 0.00 H new ATOM 717 N ILE A 53 -5.579 7.182 -2.525 1.00 0.00 N ATOM 718 CA ILE A 53 -5.513 6.126 -1.522 1.00 0.00 C ATOM 719 C ILE A 53 -5.991 6.627 -0.163 1.00 0.00 C ATOM 720 O ILE A 53 -5.276 7.353 0.529 1.00 0.00 O ATOM 721 CB ILE A 53 -4.083 5.574 -1.379 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.541 5.140 -2.743 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.059 4.410 -0.399 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.962 3.743 -3.143 1.00 0.00 C ATOM 0 H ILE A 53 -4.936 7.958 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.170 5.326 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.442 6.365 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.882 5.845 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.452 5.192 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.041 4.031 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.408 4.749 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.711 3.616 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.542 3.502 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.598 3.028 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.050 3.691 -3.193 1.00 0.00 H new ATOM 736 N LEU A 54 -7.203 6.235 0.213 1.00 0.00 N ATOM 737 CA LEU A 54 -7.776 6.643 1.491 1.00 0.00 C ATOM 738 C LEU A 54 -7.223 5.794 2.632 1.00 0.00 C ATOM 739 O LEU A 54 -6.805 6.320 3.663 1.00 0.00 O ATOM 740 CB LEU A 54 -9.301 6.528 1.448 1.00 0.00 C ATOM 741 CG LEU A 54 -10.011 7.402 0.414 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.443 6.932 0.210 1.00 0.00 C ATOM 743 CD2 LEU A 54 -9.983 8.862 0.841 1.00 0.00 C ATOM 0 H LEU A 54 -7.808 5.635 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.500 7.682 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.562 5.487 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.692 6.777 2.435 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.482 7.311 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.932 7.566 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.441 5.900 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.984 6.992 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.493 9.470 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.487 8.970 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.949 9.194 0.935 1.00 0.00 H new ATOM 755 N ALA A 55 -7.222 4.480 2.438 1.00 0.00 N ATOM 756 CA ALA A 55 -6.716 3.559 3.449 1.00 0.00 C ATOM 757 C ALA A 55 -5.879 2.454 2.815 1.00 0.00 C ATOM 758 O ALA A 55 -6.204 1.958 1.735 1.00 0.00 O ATOM 759 CB ALA A 55 -7.869 2.961 4.242 1.00 0.00 C ATOM 0 H ALA A 55 -7.566 4.029 1.590 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.074 4.121 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.477 2.275 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.425 3.759 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.532 2.420 3.568 1.00 0.00 H new ATOM 765 N ILE A 56 -4.800 2.073 3.491 1.00 0.00 N ATOM 766 CA ILE A 56 -3.917 1.026 2.992 1.00 0.00 C ATOM 767 C ILE A 56 -4.128 -0.279 3.752 1.00 0.00 C ATOM 768 O ILE A 56 -4.035 -0.317 4.979 1.00 0.00 O ATOM 769 CB ILE A 56 -2.437 1.438 3.104 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.164 2.675 2.245 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.534 0.287 2.687 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.777 3.247 2.436 1.00 0.00 C ATOM 0 H ILE A 56 -4.516 2.474 4.385 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.166 0.877 1.941 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.221 1.685 4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.300 2.416 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.901 3.442 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.491 0.593 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.714 -0.570 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.749 0.012 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.653 4.121 1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.644 3.537 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.034 2.495 2.171 1.00 0.00 H new ATOM 784 N ASP A 57 -4.412 -1.347 3.015 1.00 0.00 N ATOM 785 CA ASP A 57 -4.634 -2.656 3.618 1.00 0.00 C ATOM 786 C ASP A 57 -5.575 -2.550 4.814 1.00 0.00 C ATOM 787 O ASP A 57 -5.386 -3.223 5.827 1.00 0.00 O ATOM 788 CB ASP A 57 -3.304 -3.272 4.053 1.00 0.00 C ATOM 789 CG ASP A 57 -3.441 -4.732 4.439 1.00 0.00 C ATOM 790 OD1 ASP A 57 -4.249 -5.441 3.802 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.739 -5.167 5.376 1.00 0.00 O ATOM 0 H ASP A 57 -4.494 -1.332 1.998 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.097 -3.300 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.582 -3.180 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.907 -2.711 4.899 1.00 0.00 H new ATOM 796 N GLY A 58 -6.590 -1.700 4.690 1.00 0.00 N ATOM 797 CA GLY A 58 -7.545 -1.521 5.768 1.00 0.00 C ATOM 798 C GLY A 58 -7.007 -0.639 6.878 1.00 0.00 C ATOM 799 O GLY A 58 -7.283 -0.872 8.055 1.00 0.00 O ATOM 0 H GLY A 58 -6.768 -1.132 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.460 -1.082 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.812 -2.495 6.179 1.00 0.00 H new ATOM 803 N PHE A 59 -6.236 0.376 6.504 1.00 0.00 N ATOM 804 CA PHE A 59 -5.656 1.295 7.476 1.00 0.00 C ATOM 805 C PHE A 59 -5.565 2.707 6.905 1.00 0.00 C ATOM 806 O PHE A 59 -4.715 2.994 6.064 1.00 0.00 O ATOM 807 CB PHE A 59 -4.266 0.813 7.898 1.00 0.00 C ATOM 808 CG PHE A 59 -4.250 -0.600 8.407 1.00 0.00 C ATOM 809 CD1 PHE A 59 -4.953 -0.947 9.549 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.533 -1.581 7.742 1.00 0.00 C ATOM 811 CE1 PHE A 59 -4.939 -2.247 10.019 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.515 -2.883 8.207 1.00 0.00 C ATOM 813 CZ PHE A 59 -4.220 -3.216 9.347 1.00 0.00 C ATOM 0 H PHE A 59 -5.998 0.583 5.534 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.307 1.318 8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.589 0.892 7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.881 1.475 8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.518 -0.194 10.078 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.981 -1.326 6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.490 -2.505 10.911 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.951 -3.638 7.680 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.209 -4.232 9.712 1.00 0.00 H new ATOM 823 N GLY A 60 -6.450 3.584 7.368 1.00 0.00 N ATOM 824 CA GLY A 60 -6.454 4.955 6.893 1.00 0.00 C ATOM 825 C GLY A 60 -5.070 5.574 6.894 1.00 0.00 C ATOM 826 O GLY A 60 -4.233 5.239 7.732 1.00 0.00 O ATOM 0 H GLY A 60 -7.164 3.369 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.861 4.985 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.116 5.552 7.521 1.00 0.00 H new ATOM 830 N THR A 61 -4.827 6.478 5.950 1.00 0.00 N ATOM 831 CA THR A 61 -3.535 7.143 5.843 1.00 0.00 C ATOM 832 C THR A 61 -3.558 8.504 6.530 1.00 0.00 C ATOM 833 O THR A 61 -2.930 9.454 6.064 1.00 0.00 O ATOM 834 CB THR A 61 -3.119 7.330 4.372 1.00 0.00 C ATOM 835 OG1 THR A 61 -3.962 8.302 3.745 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.204 6.013 3.614 1.00 0.00 C ATOM 0 H THR A 61 -5.509 6.766 5.248 1.00 0.00 H new ATOM 0 HA THR A 61 -2.808 6.501 6.339 1.00 0.00 H new ATOM 0 HB THR A 61 -2.086 7.677 4.351 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.045 8.096 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.906 6.170 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.539 5.283 4.077 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.228 5.641 3.644 1.00 0.00 H new ATOM 844 N GLU A 62 -4.285 8.589 7.640 1.00 0.00 N ATOM 845 CA GLU A 62 -4.388 9.836 8.390 1.00 0.00 C ATOM 846 C GLU A 62 -3.130 10.078 9.218 1.00 0.00 C ATOM 847 O GLU A 62 -2.754 11.222 9.476 1.00 0.00 O ATOM 848 CB GLU A 62 -5.616 9.807 9.303 1.00 0.00 C ATOM 849 CG GLU A 62 -5.540 8.750 10.392 1.00 0.00 C ATOM 850 CD GLU A 62 -6.663 8.872 11.402 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.822 8.580 11.039 1.00 0.00 O ATOM 852 OE2 GLU A 62 -6.385 9.259 12.556 1.00 0.00 O ATOM 0 H GLU A 62 -4.810 7.811 8.039 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.494 10.653 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.737 10.786 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.505 9.629 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.573 7.761 9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.583 8.832 10.907 1.00 0.00 H new ATOM 859 N SER A 63 -2.484 8.993 9.634 1.00 0.00 N ATOM 860 CA SER A 63 -1.270 9.087 10.437 1.00 0.00 C ATOM 861 C SER A 63 -0.155 8.237 9.837 1.00 0.00 C ATOM 862 O SER A 63 0.791 7.859 10.527 1.00 0.00 O ATOM 863 CB SER A 63 -1.549 8.643 11.874 1.00 0.00 C ATOM 864 OG SER A 63 -0.426 8.873 12.706 1.00 0.00 O ATOM 0 H SER A 63 -2.781 8.039 9.428 1.00 0.00 H new ATOM 0 HA SER A 63 -0.946 10.128 10.442 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.411 9.184 12.264 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.805 7.583 11.887 1.00 0.00 H new ATOM 0 HG SER A 63 0.370 8.470 12.300 1.00 0.00 H new ATOM 870 N MET A 64 -0.274 7.940 8.547 1.00 0.00 N ATOM 871 CA MET A 64 0.725 7.135 7.853 1.00 0.00 C ATOM 872 C MET A 64 1.435 7.956 6.781 1.00 0.00 C ATOM 873 O MET A 64 0.901 8.169 5.692 1.00 0.00 O ATOM 874 CB MET A 64 0.070 5.906 7.220 1.00 0.00 C ATOM 875 CG MET A 64 0.771 5.425 5.960 1.00 0.00 C ATOM 876 SD MET A 64 0.514 3.667 5.650 1.00 0.00 S ATOM 877 CE MET A 64 -1.266 3.552 5.812 1.00 0.00 C ATOM 0 H MET A 64 -1.052 8.244 7.961 1.00 0.00 H new ATOM 0 HA MET A 64 1.464 6.808 8.584 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.055 5.096 7.949 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.968 6.140 6.982 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.408 5.997 5.106 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.840 5.622 6.045 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.532 2.579 6.226 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.622 4.339 6.477 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.729 3.668 4.832 1.00 0.00 H new ATOM 887 N THR A 65 2.642 8.416 7.096 1.00 0.00 N ATOM 888 CA THR A 65 3.424 9.214 6.161 1.00 0.00 C ATOM 889 C THR A 65 3.956 8.357 5.018 1.00 0.00 C ATOM 890 O THR A 65 4.060 7.136 5.140 1.00 0.00 O ATOM 891 CB THR A 65 4.608 9.903 6.864 1.00 0.00 C ATOM 892 OG1 THR A 65 5.555 8.923 7.303 1.00 0.00 O ATOM 893 CG2 THR A 65 4.129 10.721 8.054 1.00 0.00 C ATOM 0 H THR A 65 3.099 8.249 7.992 1.00 0.00 H new ATOM 0 HA THR A 65 2.756 9.976 5.760 1.00 0.00 H new ATOM 0 HB THR A 65 5.085 10.574 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.306 9.370 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.983 11.198 8.535 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.431 11.485 7.713 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.630 10.066 8.768 1.00 0.00 H new ATOM 901 N HIS A 66 4.292 9.004 3.906 1.00 0.00 N ATOM 902 CA HIS A 66 4.815 8.301 2.740 1.00 0.00 C ATOM 903 C HIS A 66 5.765 7.184 3.161 1.00 0.00 C ATOM 904 O HIS A 66 5.588 6.028 2.779 1.00 0.00 O ATOM 905 CB HIS A 66 5.535 9.277 1.810 1.00 0.00 C ATOM 906 CG HIS A 66 5.434 8.910 0.362 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.235 8.648 -0.266 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.392 8.763 -0.583 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.460 8.354 -1.534 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.761 8.417 -1.753 1.00 0.00 N ATOM 0 H HIS A 66 4.211 10.014 3.788 1.00 0.00 H new ATOM 0 HA HIS A 66 3.975 7.857 2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.121 10.275 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.587 9.325 2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.455 8.894 -0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.708 8.104 -2.267 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.222 8.238 -2.645 1.00 0.00 H new ATOM 919 N ALA A 67 6.775 7.539 3.949 1.00 0.00 N ATOM 920 CA ALA A 67 7.752 6.566 4.422 1.00 0.00 C ATOM 921 C ALA A 67 7.068 5.385 5.101 1.00 0.00 C ATOM 922 O ALA A 67 7.481 4.237 4.936 1.00 0.00 O ATOM 923 CB ALA A 67 8.736 7.228 5.377 1.00 0.00 C ATOM 0 H ALA A 67 6.938 8.492 4.273 1.00 0.00 H new ATOM 0 HA ALA A 67 8.298 6.188 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.460 6.490 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.258 8.034 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.196 7.634 6.232 1.00 0.00 H new ATOM 929 N ASP A 68 6.020 5.673 5.864 1.00 0.00 N ATOM 930 CA ASP A 68 5.277 4.634 6.568 1.00 0.00 C ATOM 931 C ASP A 68 4.574 3.706 5.581 1.00 0.00 C ATOM 932 O ASP A 68 4.551 2.490 5.767 1.00 0.00 O ATOM 933 CB ASP A 68 4.253 5.261 7.515 1.00 0.00 C ATOM 934 CG ASP A 68 4.906 5.973 8.684 1.00 0.00 C ATOM 935 OD1 ASP A 68 6.059 6.429 8.533 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.264 6.074 9.750 1.00 0.00 O ATOM 0 H ASP A 68 5.665 6.618 6.011 1.00 0.00 H new ATOM 0 HA ASP A 68 5.986 4.046 7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.636 5.968 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.588 4.484 7.892 1.00 0.00 H new ATOM 941 N ALA A 69 4.001 4.290 4.534 1.00 0.00 N ATOM 942 CA ALA A 69 3.298 3.515 3.518 1.00 0.00 C ATOM 943 C ALA A 69 4.207 2.452 2.911 1.00 0.00 C ATOM 944 O ALA A 69 3.763 1.348 2.599 1.00 0.00 O ATOM 945 CB ALA A 69 2.760 4.435 2.432 1.00 0.00 C ATOM 0 H ALA A 69 4.009 5.296 4.367 1.00 0.00 H new ATOM 0 HA ALA A 69 2.461 3.008 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.238 3.844 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.069 5.153 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.588 4.968 1.964 1.00 0.00 H new ATOM 951 N GLN A 70 5.481 2.794 2.747 1.00 0.00 N ATOM 952 CA GLN A 70 6.452 1.868 2.176 1.00 0.00 C ATOM 953 C GLN A 70 6.600 0.627 3.049 1.00 0.00 C ATOM 954 O GLN A 70 6.734 -0.488 2.543 1.00 0.00 O ATOM 955 CB GLN A 70 7.809 2.555 2.012 1.00 0.00 C ATOM 956 CG GLN A 70 7.750 3.828 1.182 1.00 0.00 C ATOM 957 CD GLN A 70 7.542 3.552 -0.294 1.00 0.00 C ATOM 958 OE1 GLN A 70 8.476 3.185 -1.007 1.00 0.00 O ATOM 959 NE2 GLN A 70 6.311 3.729 -0.761 1.00 0.00 N ATOM 0 H GLN A 70 5.864 3.704 3.001 1.00 0.00 H new ATOM 0 HA GLN A 70 6.088 1.559 1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.208 2.792 2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.505 1.859 1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.940 4.459 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.675 4.388 1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.567 4.034 -0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.110 3.560 -1.747 1.00 0.00 H new ATOM 968 N ASP A 71 6.574 0.827 4.362 1.00 0.00 N ATOM 969 CA ASP A 71 6.705 -0.277 5.306 1.00 0.00 C ATOM 970 C ASP A 71 5.382 -1.022 5.457 1.00 0.00 C ATOM 971 O ASP A 71 5.333 -2.111 6.030 1.00 0.00 O ATOM 972 CB ASP A 71 7.171 0.241 6.668 1.00 0.00 C ATOM 973 CG ASP A 71 8.681 0.238 6.802 1.00 0.00 C ATOM 974 OD1 ASP A 71 9.321 1.198 6.325 1.00 0.00 O ATOM 975 OD2 ASP A 71 9.222 -0.724 7.385 1.00 0.00 O ATOM 0 H ASP A 71 6.463 1.743 4.797 1.00 0.00 H new ATOM 0 HA ASP A 71 7.450 -0.970 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.798 1.255 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.738 -0.376 7.456 1.00 0.00 H new ATOM 980 N ARG A 72 4.311 -0.427 4.941 1.00 0.00 N ATOM 981 CA ARG A 72 2.988 -1.033 5.021 1.00 0.00 C ATOM 982 C ARG A 72 2.697 -1.870 3.778 1.00 0.00 C ATOM 983 O ARG A 72 2.082 -2.933 3.863 1.00 0.00 O ATOM 984 CB ARG A 72 1.917 0.048 5.183 1.00 0.00 C ATOM 985 CG ARG A 72 1.610 0.388 6.632 1.00 0.00 C ATOM 986 CD ARG A 72 0.495 -0.486 7.185 1.00 0.00 C ATOM 987 NE ARG A 72 0.157 -0.134 8.561 1.00 0.00 N ATOM 988 CZ ARG A 72 0.828 -0.577 9.619 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.869 -1.382 9.458 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.459 -0.213 10.840 1.00 0.00 N ATOM 0 H ARG A 72 4.334 0.474 4.463 1.00 0.00 H new ATOM 0 HA ARG A 72 2.968 -1.688 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.244 0.951 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.001 -0.284 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.508 0.259 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.323 1.437 6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.390 -0.385 6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.799 -1.532 7.142 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.638 0.486 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.156 -1.663 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.382 -1.721 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.340 0.407 10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.975 -0.554 11.651 1.00 0.00 H new ATOM 1004 N ILE A 73 3.143 -1.382 2.625 1.00 0.00 N ATOM 1005 CA ILE A 73 2.931 -2.084 1.366 1.00 0.00 C ATOM 1006 C ILE A 73 3.852 -3.294 1.250 1.00 0.00 C ATOM 1007 O ILE A 73 3.448 -4.352 0.766 1.00 0.00 O ATOM 1008 CB ILE A 73 3.164 -1.158 0.158 1.00 0.00 C ATOM 1009 CG1 ILE A 73 2.020 -0.150 0.032 1.00 0.00 C ATOM 1010 CG2 ILE A 73 3.301 -1.975 -1.118 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.348 1.029 -0.857 1.00 0.00 C ATOM 0 H ILE A 73 3.653 -0.503 2.537 1.00 0.00 H new ATOM 0 HA ILE A 73 1.893 -2.418 1.362 1.00 0.00 H new ATOM 0 HB ILE A 73 4.092 -0.608 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.140 -0.659 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.758 0.216 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.465 -1.306 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.147 -2.656 -1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.389 -2.549 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.492 1.702 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.208 1.562 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.581 0.674 -1.861 1.00 0.00 H new ATOM 1023 N LYS A 74 5.092 -3.132 1.699 1.00 0.00 N ATOM 1024 CA LYS A 74 6.071 -4.211 1.649 1.00 0.00 C ATOM 1025 C LYS A 74 5.723 -5.309 2.649 1.00 0.00 C ATOM 1026 O LYS A 74 5.949 -6.491 2.392 1.00 0.00 O ATOM 1027 CB LYS A 74 7.473 -3.669 1.939 1.00 0.00 C ATOM 1028 CG LYS A 74 7.581 -2.940 3.267 1.00 0.00 C ATOM 1029 CD LYS A 74 7.981 -3.883 4.389 1.00 0.00 C ATOM 1030 CE LYS A 74 9.493 -3.976 4.527 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.068 -5.023 3.639 1.00 0.00 N ATOM 0 H LYS A 74 5.443 -2.263 2.102 1.00 0.00 H new ATOM 0 HA LYS A 74 6.053 -4.638 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.182 -4.497 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.764 -2.991 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.315 -2.139 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.625 -2.473 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.550 -3.536 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.571 -4.874 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.939 -3.011 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.750 -4.197 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.995 -5.319 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.429 -5.843 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.182 -4.640 2.679 1.00 0.00 H new ATOM 1045 N ALA A 75 5.170 -4.910 3.790 1.00 0.00 N ATOM 1046 CA ALA A 75 4.787 -5.860 4.827 1.00 0.00 C ATOM 1047 C ALA A 75 3.304 -6.206 4.734 1.00 0.00 C ATOM 1048 O ALA A 75 2.721 -6.739 5.678 1.00 0.00 O ATOM 1049 CB ALA A 75 5.115 -5.301 6.203 1.00 0.00 C ATOM 0 H ALA A 75 4.977 -3.935 4.019 1.00 0.00 H new ATOM 0 HA ALA A 75 5.358 -6.776 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.823 -6.021 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.186 -5.111 6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.571 -4.369 6.356 1.00 0.00 H new ATOM 1055 N ALA A 76 2.700 -5.898 3.591 1.00 0.00 N ATOM 1056 CA ALA A 76 1.285 -6.177 3.376 1.00 0.00 C ATOM 1057 C ALA A 76 0.965 -7.641 3.659 1.00 0.00 C ATOM 1058 O ALA A 76 1.826 -8.399 4.107 1.00 0.00 O ATOM 1059 CB ALA A 76 0.886 -5.813 1.953 1.00 0.00 C ATOM 0 H ALA A 76 3.168 -5.455 2.800 1.00 0.00 H new ATOM 0 HA ALA A 76 0.709 -5.566 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.173 -6.026 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.069 -4.752 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.475 -6.400 1.248 1.00 0.00 H new ATOM 1065 N SER A 77 -0.277 -8.032 3.395 1.00 0.00 N ATOM 1066 CA SER A 77 -0.712 -9.404 3.625 1.00 0.00 C ATOM 1067 C SER A 77 -1.036 -10.100 2.307 1.00 0.00 C ATOM 1068 O SER A 77 -0.916 -9.509 1.234 1.00 0.00 O ATOM 1069 CB SER A 77 -1.937 -9.427 4.542 1.00 0.00 C ATOM 1070 OG SER A 77 -1.565 -9.228 5.895 1.00 0.00 O ATOM 0 H SER A 77 -1.000 -7.418 3.021 1.00 0.00 H new ATOM 0 HA SER A 77 0.104 -9.941 4.108 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.638 -8.651 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.454 -10.381 4.440 1.00 0.00 H new ATOM 0 HG SER A 77 -2.365 -9.245 6.460 1.00 0.00 H new ATOM 1076 N TYR A 78 -1.448 -11.360 2.396 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.788 -12.139 1.211 1.00 0.00 C ATOM 1078 C TYR A 78 -2.395 -11.249 0.130 1.00 0.00 C ATOM 1079 O TYR A 78 -2.176 -11.465 -1.061 1.00 0.00 O ATOM 1080 CB TYR A 78 -2.765 -13.258 1.574 1.00 0.00 C ATOM 1081 CG TYR A 78 -3.669 -12.920 2.738 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -4.882 -12.273 2.537 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -3.310 -13.248 4.040 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -5.710 -11.961 3.597 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -4.133 -12.942 5.106 1.00 0.00 C ATOM 1086 CZ TYR A 78 -5.331 -12.298 4.880 1.00 0.00 C ATOM 1087 OH TYR A 78 -6.154 -11.990 5.939 1.00 0.00 O ATOM 0 H TYR A 78 -1.555 -11.864 3.277 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.870 -12.579 0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.379 -13.489 0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.200 -14.159 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.183 -12.009 1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.371 -13.751 4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.649 -11.456 3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.840 -13.206 6.111 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.742 -12.296 6.774 1.00 0.00 H new ATOM 1097 N GLN A 79 -3.159 -10.249 0.557 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.798 -9.326 -0.374 1.00 0.00 C ATOM 1099 C GLN A 79 -3.747 -7.897 0.155 1.00 0.00 C ATOM 1100 O GLN A 79 -3.833 -7.667 1.363 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.250 -9.740 -0.619 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.420 -11.224 -0.901 1.00 0.00 C ATOM 1103 CD GLN A 79 -6.760 -11.757 -0.435 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -6.889 -12.933 -0.093 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.768 -10.892 -0.417 1.00 0.00 N ATOM 0 H GLN A 79 -3.351 -10.057 1.540 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.252 -9.365 -1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.847 -9.474 0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.644 -9.171 -1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.315 -11.401 -1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.621 -11.778 -0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.617 -9.926 -0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.693 -11.193 -0.111 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.607 -6.939 -0.754 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.544 -5.530 -0.379 1.00 0.00 C ATOM 1116 C LEU A 80 -4.881 -4.840 -0.630 1.00 0.00 C ATOM 1117 O LEU A 80 -5.373 -4.810 -1.758 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.437 -4.823 -1.163 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.344 -3.308 -0.974 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -2.107 -2.966 0.489 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.239 -2.729 -1.844 1.00 0.00 C ATOM 0 H LEU A 80 -3.535 -7.112 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.320 -5.472 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.481 -5.264 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.582 -5.029 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.291 -2.864 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.044 -1.884 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.933 -3.347 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.175 -3.422 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.187 -1.650 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.285 -3.179 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.451 -2.942 -2.892 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.462 -4.286 0.428 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.742 -3.594 0.323 1.00 0.00 C ATOM 1135 C CYS A 81 -6.538 -2.085 0.238 1.00 0.00 C ATOM 1136 O CYS A 81 -6.188 -1.438 1.226 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.629 -3.934 1.521 1.00 0.00 C ATOM 1138 SG CYS A 81 -9.340 -3.375 1.355 1.00 0.00 S ATOM 0 H CYS A 81 -5.067 -4.302 1.368 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.234 -3.928 -0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.624 -5.014 1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.198 -3.488 2.417 1.00 0.00 H new ATOM 0 HG CYS A 81 -10.011 -3.711 2.416 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.759 -1.530 -0.948 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.599 -0.096 -1.164 1.00 0.00 C ATOM 1146 C LEU A 82 -7.937 0.559 -1.491 1.00 0.00 C ATOM 1147 O LEU A 82 -8.489 0.362 -2.574 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.602 0.162 -2.296 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.125 -0.010 -1.941 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.262 0.078 -3.190 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.697 1.033 -0.920 1.00 0.00 C ATOM 0 H LEU A 82 -7.050 -2.051 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.216 0.344 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.838 -0.510 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.752 1.178 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.990 -0.998 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.214 -0.047 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.551 -0.707 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.401 1.051 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.643 0.895 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.847 2.030 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.294 0.922 -0.014 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.454 1.340 -0.549 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.726 2.027 -0.737 1.00 0.00 C ATOM 1165 C LYS A 83 -9.521 3.373 -1.425 1.00 0.00 C ATOM 1166 O LYS A 83 -8.920 4.286 -0.857 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.422 2.232 0.610 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.845 2.751 0.487 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.513 2.873 1.846 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.575 3.962 1.849 1.00 0.00 C ATOM 1171 NZ LYS A 83 -14.277 4.049 3.160 1.00 0.00 N ATOM 0 H LYS A 83 -8.011 1.513 0.353 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.355 1.405 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.435 1.286 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.839 2.933 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.837 3.724 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.425 2.079 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.967 1.920 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.761 3.094 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.112 4.922 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.301 3.763 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.993 4.803 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.741 3.141 3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.588 4.264 3.909 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.024 3.490 -2.649 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.898 4.725 -3.412 1.00 0.00 C ATOM 1187 C ILE A 84 -11.158 5.576 -3.293 1.00 0.00 C ATOM 1188 O ILE A 84 -12.237 5.067 -2.992 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.622 4.441 -4.900 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.735 3.574 -5.492 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.270 3.765 -5.069 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.948 3.792 -6.973 1.00 0.00 C ATOM 0 H ILE A 84 -10.523 2.744 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.053 5.271 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.602 5.389 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.498 2.524 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.666 3.782 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.090 3.571 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.487 4.416 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.263 2.823 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.752 3.145 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.216 4.833 -7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.030 3.556 -7.511 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.013 6.874 -3.534 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.140 7.797 -3.457 1.00 0.00 C ATOM 1206 C ASP A 85 -12.929 7.801 -4.762 1.00 0.00 C ATOM 1207 O ASP A 85 -13.433 8.839 -5.191 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.648 9.210 -3.139 1.00 0.00 C ATOM 1209 CG ASP A 85 -12.780 10.144 -2.759 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.807 9.654 -2.245 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -12.640 11.366 -2.976 1.00 0.00 O ATOM 0 H ASP A 85 -10.126 7.311 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.799 7.461 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.927 9.166 -2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.123 9.613 -4.005 1.00 0.00 H new ATOM 1216 N ARG A 86 -13.031 6.633 -5.389 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.757 6.503 -6.647 1.00 0.00 C ATOM 1218 C ARG A 86 -13.594 7.756 -7.501 1.00 0.00 C ATOM 1219 O ARG A 86 -14.531 8.187 -8.174 1.00 0.00 O ATOM 1220 CB ARG A 86 -15.241 6.244 -6.380 1.00 0.00 C ATOM 1221 CG ARG A 86 -15.583 4.771 -6.221 1.00 0.00 C ATOM 1222 CD ARG A 86 -15.649 4.066 -7.567 1.00 0.00 C ATOM 1223 NE ARG A 86 -15.306 2.651 -7.461 1.00 0.00 N ATOM 1224 CZ ARG A 86 -15.551 1.762 -8.417 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -16.136 2.140 -9.545 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -15.209 0.491 -8.246 1.00 0.00 N ATOM 0 H ARG A 86 -12.621 5.764 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.340 5.656 -7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.537 6.777 -5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.827 6.658 -7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.835 4.288 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -16.541 4.672 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.653 4.166 -7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.968 4.553 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.853 2.327 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.399 3.116 -9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.323 1.455 -10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.758 0.196 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.397 -0.191 -8.981 1.00 0.00 H new ATOM 1240 N ALA A 87 -12.400 8.338 -7.469 1.00 0.00 N ATOM 1241 CA ALA A 87 -12.114 9.541 -8.241 1.00 0.00 C ATOM 1242 C ALA A 87 -12.241 9.276 -9.737 1.00 0.00 C ATOM 1243 O ALA A 87 -11.422 8.567 -10.322 1.00 0.00 O ATOM 1244 CB ALA A 87 -10.723 10.061 -7.911 1.00 0.00 C ATOM 0 H ALA A 87 -11.614 7.995 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.847 10.300 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.523 10.960 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.666 10.298 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.983 9.299 -8.153 1.00 0.00 H new ATOM 1250 N GLU A 88 -13.272 9.849 -10.350 1.00 0.00 N ATOM 1251 CA GLU A 88 -13.505 9.672 -11.778 1.00 0.00 C ATOM 1252 C GLU A 88 -12.554 10.540 -12.596 1.00 0.00 C ATOM 1253 O GLU A 88 -12.097 10.141 -13.668 1.00 0.00 O ATOM 1254 CB GLU A 88 -14.955 10.016 -12.127 1.00 0.00 C ATOM 1255 CG GLU A 88 -15.346 11.439 -11.765 1.00 0.00 C ATOM 1256 CD GLU A 88 -16.702 11.830 -12.319 1.00 0.00 C ATOM 1257 OE1 GLU A 88 -17.722 11.327 -11.804 1.00 0.00 O ATOM 1258 OE2 GLU A 88 -16.743 12.640 -13.269 1.00 0.00 O ATOM 0 H GLU A 88 -13.959 10.439 -9.880 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.318 8.627 -12.024 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.108 9.867 -13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.619 9.323 -11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.357 11.544 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.591 12.127 -12.144 1.00 0.00 H new ATOM 1265 N THR A 89 -12.259 11.730 -12.084 1.00 0.00 N ATOM 1266 CA THR A 89 -11.363 12.656 -12.766 1.00 0.00 C ATOM 1267 C THR A 89 -10.236 13.109 -11.846 1.00 0.00 C ATOM 1268 O THR A 89 -9.400 13.927 -12.230 1.00 0.00 O ATOM 1269 CB THR A 89 -12.121 13.895 -13.279 1.00 0.00 C ATOM 1270 OG1 THR A 89 -13.281 13.490 -14.014 1.00 0.00 O ATOM 1271 CG2 THR A 89 -11.226 14.748 -14.165 1.00 0.00 C ATOM 0 H THR A 89 -12.628 12.076 -11.198 1.00 0.00 H new ATOM 0 HA THR A 89 -10.941 12.119 -13.616 1.00 0.00 H new ATOM 0 HB THR A 89 -12.426 14.489 -12.418 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.758 14.283 -14.335 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.783 15.617 -14.515 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.358 15.079 -13.594 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.895 14.160 -15.021 1.00 0.00 H new ATOM 1279 N ARG A 90 -10.218 12.572 -10.630 1.00 0.00 N ATOM 1280 CA ARG A 90 -9.192 12.922 -9.655 1.00 0.00 C ATOM 1281 C ARG A 90 -8.806 14.393 -9.777 1.00 0.00 C ATOM 1282 O ARG A 90 -7.632 14.726 -9.945 1.00 0.00 O ATOM 1283 CB ARG A 90 -7.956 12.041 -9.845 1.00 0.00 C ATOM 1284 CG ARG A 90 -8.247 10.553 -9.746 1.00 0.00 C ATOM 1285 CD ARG A 90 -7.285 9.739 -10.597 1.00 0.00 C ATOM 1286 NE ARG A 90 -7.641 9.777 -12.013 1.00 0.00 N ATOM 1287 CZ ARG A 90 -7.281 8.843 -12.887 1.00 0.00 C ATOM 1288 NH1 ARG A 90 -6.561 7.803 -12.491 1.00 0.00 N ATOM 1289 NH2 ARG A 90 -7.644 8.948 -14.159 1.00 0.00 N ATOM 0 H ARG A 90 -10.902 11.893 -10.297 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.600 12.753 -8.658 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.516 12.252 -10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.212 12.308 -9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.173 10.235 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.271 10.359 -10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.273 10.122 -10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.281 8.705 -10.252 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.196 10.564 -12.349 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.282 7.718 -11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.286 7.087 -13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.200 9.746 -14.467 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.367 8.231 -14.829 1.00 0.00 H new ATOM 1303 N LEU A 91 -9.800 15.270 -9.692 1.00 0.00 N ATOM 1304 CA LEU A 91 -9.565 16.706 -9.794 1.00 0.00 C ATOM 1305 C LEU A 91 -10.326 17.460 -8.708 1.00 0.00 C ATOM 1306 O LEU A 91 -9.740 18.224 -7.942 1.00 0.00 O ATOM 1307 CB LEU A 91 -9.984 17.215 -11.174 1.00 0.00 C ATOM 1308 CG LEU A 91 -9.699 18.690 -11.460 1.00 0.00 C ATOM 1309 CD1 LEU A 91 -8.264 18.875 -11.929 1.00 0.00 C ATOM 1310 CD2 LEU A 91 -10.673 19.230 -12.497 1.00 0.00 C ATOM 0 H LEU A 91 -10.777 15.012 -9.553 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.499 16.886 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.478 16.615 -11.930 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -11.054 17.042 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.834 19.252 -10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.079 19.931 -12.128 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.580 18.527 -11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.102 18.300 -12.841 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.455 20.281 -12.688 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.570 18.664 -13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.693 19.133 -12.124 1.00 0.00 H new ATOM 1322 N TRP A 92 -11.634 17.239 -8.648 1.00 0.00 N ATOM 1323 CA TRP A 92 -12.476 17.896 -7.654 1.00 0.00 C ATOM 1324 C TRP A 92 -13.360 16.884 -6.935 1.00 0.00 C ATOM 1325 O TRP A 92 -14.563 16.809 -7.184 1.00 0.00 O ATOM 1326 CB TRP A 92 -13.342 18.968 -8.318 1.00 0.00 C ATOM 1327 CG TRP A 92 -13.662 20.118 -7.412 1.00 0.00 C ATOM 1328 CD1 TRP A 92 -14.454 20.089 -6.299 1.00 0.00 C ATOM 1329 CD2 TRP A 92 -13.200 21.467 -7.543 1.00 0.00 C ATOM 1330 NE1 TRP A 92 -14.512 21.338 -5.731 1.00 0.00 N ATOM 1331 CE2 TRP A 92 -13.751 22.201 -6.474 1.00 0.00 C ATOM 1332 CE3 TRP A 92 -12.374 22.125 -8.457 1.00 0.00 C ATOM 1333 CZ2 TRP A 92 -13.501 23.559 -6.298 1.00 0.00 C ATOM 1334 CZ3 TRP A 92 -12.127 23.473 -8.281 1.00 0.00 C ATOM 1335 CH2 TRP A 92 -12.688 24.179 -7.208 1.00 0.00 C ATOM 0 H TRP A 92 -12.135 16.610 -9.276 1.00 0.00 H new ATOM 0 HA TRP A 92 -11.825 18.369 -6.918 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -12.828 19.344 -9.203 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -14.272 18.514 -8.659 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -14.960 19.213 -5.921 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -15.037 21.583 -4.892 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -11.936 21.590 -9.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -13.933 24.104 -5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -11.490 23.992 -8.983 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -12.475 25.232 -7.097 1.00 0.00 H new ATOM 1346 N SER A 93 -12.757 16.108 -6.040 1.00 0.00 N ATOM 1347 CA SER A 93 -13.490 15.097 -5.287 1.00 0.00 C ATOM 1348 C SER A 93 -13.299 15.294 -3.786 1.00 0.00 C ATOM 1349 O SER A 93 -12.601 14.531 -3.118 1.00 0.00 O ATOM 1350 CB SER A 93 -13.031 13.695 -5.692 1.00 0.00 C ATOM 1351 OG SER A 93 -11.627 13.560 -5.556 1.00 0.00 O ATOM 0 H SER A 93 -11.763 16.160 -5.819 1.00 0.00 H new ATOM 0 HA SER A 93 -14.550 15.204 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.533 12.951 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.320 13.498 -6.724 1.00 0.00 H new ATOM 0 HG SER A 93 -11.374 13.699 -4.619 1.00 0.00 H new ATOM 1357 N PRO A 94 -13.934 16.342 -3.242 1.00 0.00 N ATOM 1358 CA PRO A 94 -13.851 16.664 -1.814 1.00 0.00 C ATOM 1359 C PRO A 94 -14.582 15.646 -0.946 1.00 0.00 C ATOM 1360 O PRO A 94 -14.023 15.126 0.019 1.00 0.00 O ATOM 1361 CB PRO A 94 -14.529 18.033 -1.719 1.00 0.00 C ATOM 1362 CG PRO A 94 -15.455 18.079 -2.885 1.00 0.00 C ATOM 1363 CD PRO A 94 -14.784 17.293 -3.978 1.00 0.00 C ATOM 0 HA PRO A 94 -12.822 16.657 -1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -15.070 18.142 -0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.798 18.841 -1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -16.423 17.647 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.637 19.107 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -15.511 16.779 -4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -14.195 17.936 -4.632 1.00 0.00 H new ATOM 1371 N GLN A 95 -15.833 15.367 -1.296 1.00 0.00 N ATOM 1372 CA GLN A 95 -16.640 14.410 -0.548 1.00 0.00 C ATOM 1373 C GLN A 95 -17.378 13.465 -1.490 1.00 0.00 C ATOM 1374 O GLN A 95 -18.467 13.776 -1.971 1.00 0.00 O ATOM 1375 CB GLN A 95 -17.642 15.144 0.345 1.00 0.00 C ATOM 1376 CG GLN A 95 -17.043 15.640 1.651 1.00 0.00 C ATOM 1377 CD GLN A 95 -18.076 15.776 2.752 1.00 0.00 C ATOM 1378 OE1 GLN A 95 -18.569 16.871 3.026 1.00 0.00 O ATOM 1379 NE2 GLN A 95 -18.411 14.660 3.391 1.00 0.00 N ATOM 0 H GLN A 95 -16.310 15.790 -2.092 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.970 13.820 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -18.051 15.993 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -18.475 14.477 0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -16.263 14.951 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -16.566 16.606 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -17.978 13.774 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -19.102 14.689 4.141 1.00 0.00 H new ATOM 1388 N VAL A 96 -16.776 12.308 -1.751 1.00 0.00 N ATOM 1389 CA VAL A 96 -17.377 11.317 -2.636 1.00 0.00 C ATOM 1390 C VAL A 96 -17.482 9.960 -1.950 1.00 0.00 C ATOM 1391 O VAL A 96 -18.139 9.048 -2.452 1.00 0.00 O ATOM 1392 CB VAL A 96 -16.566 11.161 -3.936 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -17.353 10.363 -4.965 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -16.179 12.524 -4.489 1.00 0.00 C ATOM 0 H VAL A 96 -15.873 12.035 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 96 -18.377 11.676 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.651 10.613 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -16.764 10.263 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.574 9.373 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -18.286 10.880 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.607 12.395 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.080 13.100 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.573 13.056 -3.755 1.00 0.00 H new ATOM 1404 N SER A 97 -16.831 9.833 -0.798 1.00 0.00 N ATOM 1405 CA SER A 97 -16.848 8.586 -0.043 1.00 0.00 C ATOM 1406 C SER A 97 -17.261 8.833 1.405 1.00 0.00 C ATOM 1407 O SER A 97 -16.475 9.335 2.209 1.00 0.00 O ATOM 1408 CB SER A 97 -15.472 7.919 -0.087 1.00 0.00 C ATOM 1409 OG SER A 97 -14.472 8.780 0.432 1.00 0.00 O ATOM 0 H SER A 97 -16.285 10.579 -0.367 1.00 0.00 H new ATOM 0 HA SER A 97 -17.580 7.922 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.494 6.994 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.227 7.650 -1.114 1.00 0.00 H new ATOM 0 HG SER A 97 -14.834 9.281 1.192 1.00 0.00 H new ATOM 1415 N SER A 98 -18.499 8.476 1.730 1.00 0.00 N ATOM 1416 CA SER A 98 -19.019 8.662 3.080 1.00 0.00 C ATOM 1417 C SER A 98 -18.938 7.363 3.877 1.00 0.00 C ATOM 1418 O SER A 98 -18.491 7.352 5.023 1.00 0.00 O ATOM 1419 CB SER A 98 -20.467 9.152 3.028 1.00 0.00 C ATOM 1420 OG SER A 98 -21.286 8.248 2.307 1.00 0.00 O ATOM 0 H SER A 98 -19.161 8.056 1.077 1.00 0.00 H new ATOM 0 HA SER A 98 -18.406 9.413 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 98 -20.852 9.267 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 98 -20.505 10.135 2.559 1.00 0.00 H new ATOM 0 HG SER A 98 -22.207 8.583 2.290 1.00 0.00 H new ATOM 1426 N GLY A 99 -19.373 6.269 3.259 1.00 0.00 N ATOM 1427 CA GLY A 99 -19.342 4.980 3.925 1.00 0.00 C ATOM 1428 C GLY A 99 -20.620 4.191 3.721 1.00 0.00 C ATOM 1429 O GLY A 99 -21.704 4.754 3.566 1.00 0.00 O ATOM 0 H GLY A 99 -19.746 6.252 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -18.498 4.401 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.178 5.130 4.992 1.00 0.00 H new ATOM 1433 N PRO A 100 -20.501 2.855 3.719 1.00 0.00 N ATOM 1434 CA PRO A 100 -21.647 1.959 3.533 1.00 0.00 C ATOM 1435 C PRO A 100 -22.593 1.971 4.729 1.00 0.00 C ATOM 1436 O PRO A 100 -22.332 1.328 5.745 1.00 0.00 O ATOM 1437 CB PRO A 100 -20.998 0.581 3.378 1.00 0.00 C ATOM 1438 CG PRO A 100 -19.693 0.695 4.090 1.00 0.00 C ATOM 1439 CD PRO A 100 -19.240 2.116 3.899 1.00 0.00 C ATOM 0 HA PRO A 100 -22.261 2.254 2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -21.620 -0.201 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -20.855 0.326 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -19.804 0.460 5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -18.964 -0.005 3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -18.681 2.479 4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -18.588 2.217 3.031 1.00 0.00 H new ATOM 1447 N SER A 101 -23.692 2.706 4.600 1.00 0.00 N ATOM 1448 CA SER A 101 -24.676 2.805 5.672 1.00 0.00 C ATOM 1449 C SER A 101 -24.058 3.423 6.922 1.00 0.00 C ATOM 1450 O SER A 101 -24.290 2.959 8.038 1.00 0.00 O ATOM 1451 CB SER A 101 -25.244 1.422 6.000 1.00 0.00 C ATOM 1452 OG SER A 101 -26.507 1.527 6.634 1.00 0.00 O ATOM 0 H SER A 101 -23.924 3.242 3.764 1.00 0.00 H new ATOM 0 HA SER A 101 -25.485 3.451 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 101 -25.341 0.839 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 101 -24.551 0.885 6.648 1.00 0.00 H new ATOM 0 HG SER A 101 -26.415 2.041 7.463 1.00 0.00 H new ATOM 1458 N SER A 102 -23.268 4.474 6.726 1.00 0.00 N ATOM 1459 CA SER A 102 -22.612 5.155 7.836 1.00 0.00 C ATOM 1460 C SER A 102 -23.135 6.581 7.984 1.00 0.00 C ATOM 1461 O SER A 102 -22.510 7.535 7.523 1.00 0.00 O ATOM 1462 CB SER A 102 -21.097 5.175 7.625 1.00 0.00 C ATOM 1463 OG SER A 102 -20.516 3.934 7.984 1.00 0.00 O ATOM 0 H SER A 102 -23.067 4.872 5.809 1.00 0.00 H new ATOM 0 HA SER A 102 -22.838 4.607 8.751 1.00 0.00 H new ATOM 0 HB2 SER A 102 -20.875 5.396 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 102 -20.654 5.973 8.221 1.00 0.00 H new ATOM 0 HG SER A 102 -19.548 3.972 7.838 1.00 0.00 H new ATOM 1469 N GLY A 103 -24.289 6.717 8.631 1.00 0.00 N ATOM 1470 CA GLY A 103 -24.878 8.029 8.829 1.00 0.00 C ATOM 1471 C GLY A 103 -25.518 8.573 7.567 1.00 0.00 C ATOM 1472 O GLY A 103 -26.660 8.242 7.249 1.00 0.00 O ATOM 0 H GLY A 103 -24.826 5.943 9.021 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -25.628 7.972 9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -24.109 8.722 9.170 1.00 0.00 H new TER 1476 GLY A 103