USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 GLN : amide:sc= 1.08 K(o=1.6,f=-0.58) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.496 K(o=1.6,f=-0.62) USER MOD Set 2.1: A 14 CYS SG : rot 180:sc= -0.0345 USER MOD Set 2.2: A 17 CYS SG : rot 69:sc= 0.519 USER MOD Single : A 6 LYS NZ :NH3+ -155:sc= 1.09 (180deg=1.06) USER MOD Single : A 7 MET CE :methyl -172:sc= -0.101 (180deg=-0.259) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 142:sc= -0.114 (180deg=-1.25) USER MOD Single : A 13 THR OG1 : rot 180:sc=0.000442 USER MOD Single : A 15 HIS : no HD1:sc= -0.275 K(o=-0.28,f=-1.1) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.466 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0655) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 41 GLN : amide:sc= 0.223 K(o=0.22,f=-3.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.392 K(o=-0.39,f=-1.2) USER MOD Single : A 53 SER OG : rot 180:sc= 0.33 USER MOD Single : A 57 MET CE :methyl 168:sc= -1.42 (180deg=-1.68!) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.15) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.02) USER MOD Single : A 60 GLN : amide:sc= 1.12 K(o=1.1,f=-1.1) USER MOD Single : A 64 MET CE :methyl 180:sc= -0.0602 (180deg=-0.0602) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 2.161 1.061 14.432 1.00 0.00 N ATOM 11 CA GLU A 2 1.449 1.028 13.170 1.00 0.00 C ATOM 12 C GLU A 2 1.152 -0.431 12.793 1.00 0.00 C ATOM 13 O GLU A 2 1.428 -1.346 13.576 1.00 0.00 O ATOM 14 CB GLU A 2 2.327 1.736 12.127 1.00 0.00 C ATOM 15 CG GLU A 2 3.754 1.165 12.030 1.00 0.00 C ATOM 16 CD GLU A 2 4.744 1.895 12.929 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.775 1.534 14.127 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.418 2.808 12.408 1.00 0.00 O ATOM 0 HA GLU A 2 0.490 1.542 13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.848 1.661 11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.385 2.796 12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.737 0.109 12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.095 1.226 10.997 1.00 0.00 H new ATOM 25 N VAL A 3 0.608 -0.647 11.592 1.00 0.00 N ATOM 26 CA VAL A 3 0.434 -1.954 10.980 1.00 0.00 C ATOM 27 C VAL A 3 0.994 -1.874 9.565 1.00 0.00 C ATOM 28 O VAL A 3 0.795 -0.873 8.878 1.00 0.00 O ATOM 29 CB VAL A 3 -1.054 -2.334 10.958 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.339 -3.584 10.117 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.563 -2.583 12.381 1.00 0.00 C ATOM 0 H VAL A 3 0.267 0.114 11.004 1.00 0.00 H new ATOM 0 HA VAL A 3 0.959 -2.722 11.549 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.574 -1.491 10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.407 -3.802 10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.026 -3.409 9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.787 -4.431 10.525 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.619 -2.851 12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.996 -3.397 12.833 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.437 -1.678 12.976 1.00 0.00 H new ATOM 41 N VAL A 4 1.663 -2.947 9.142 1.00 0.00 N ATOM 42 CA VAL A 4 2.126 -3.164 7.785 1.00 0.00 C ATOM 43 C VAL A 4 1.186 -4.168 7.137 1.00 0.00 C ATOM 44 O VAL A 4 0.974 -5.257 7.672 1.00 0.00 O ATOM 45 CB VAL A 4 3.565 -3.680 7.784 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.960 -4.326 6.453 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.545 -2.557 8.099 1.00 0.00 C ATOM 0 H VAL A 4 1.903 -3.716 9.767 1.00 0.00 H new ATOM 0 HA VAL A 4 2.122 -2.229 7.224 1.00 0.00 H new ATOM 0 HB VAL A 4 3.612 -4.445 8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.991 -4.674 6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.302 -5.171 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.868 -3.593 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.562 -2.949 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.454 -1.773 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.322 -2.144 9.083 1.00 0.00 H new ATOM 57 N LEU A 5 0.655 -3.812 5.971 1.00 0.00 N ATOM 58 CA LEU A 5 -0.084 -4.707 5.112 1.00 0.00 C ATOM 59 C LEU A 5 0.772 -4.910 3.858 1.00 0.00 C ATOM 60 O LEU A 5 1.556 -4.025 3.500 1.00 0.00 O ATOM 61 CB LEU A 5 -1.458 -4.073 4.846 1.00 0.00 C ATOM 62 CG LEU A 5 -1.414 -2.980 3.787 1.00 0.00 C ATOM 63 CD1 LEU A 5 -1.664 -3.550 2.390 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.427 -1.866 4.071 1.00 0.00 C ATOM 0 H LEU A 5 0.734 -2.867 5.595 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.276 -5.689 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.155 -4.849 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.845 -3.655 5.775 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.412 -2.553 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.626 -2.745 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.898 -4.290 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.646 -4.022 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.362 -1.107 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.433 -2.285 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.208 -1.413 5.038 1.00 0.00 H new ATOM 76 N LYS A 6 0.628 -6.065 3.203 1.00 0.00 N ATOM 77 CA LYS A 6 1.290 -6.360 1.942 1.00 0.00 C ATOM 78 C LYS A 6 0.198 -6.682 0.914 1.00 0.00 C ATOM 79 O LYS A 6 -0.597 -7.601 1.136 1.00 0.00 O ATOM 80 CB LYS A 6 2.267 -7.533 2.139 1.00 0.00 C ATOM 81 CG LYS A 6 3.625 -7.336 1.461 1.00 0.00 C ATOM 82 CD LYS A 6 4.614 -6.630 2.399 1.00 0.00 C ATOM 83 CE LYS A 6 6.024 -6.537 1.794 1.00 0.00 C ATOM 84 NZ LYS A 6 6.655 -7.857 1.585 1.00 0.00 N ATOM 0 H LYS A 6 0.040 -6.827 3.542 1.00 0.00 H new ATOM 0 HA LYS A 6 1.876 -5.513 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.425 -7.685 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.808 -8.443 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.029 -8.303 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.499 -6.749 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.249 -5.627 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.662 -7.168 3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.969 -6.012 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.656 -5.939 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.690 -7.752 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.369 -8.503 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.351 -8.246 0.670 1.00 0.00 H new ATOM 98 N MET A 7 0.138 -5.926 -0.187 1.00 0.00 N ATOM 99 CA MET A 7 -0.657 -6.273 -1.349 1.00 0.00 C ATOM 100 C MET A 7 0.257 -6.833 -2.423 1.00 0.00 C ATOM 101 O MET A 7 1.328 -6.281 -2.645 1.00 0.00 O ATOM 102 CB MET A 7 -1.408 -5.065 -1.924 1.00 0.00 C ATOM 103 CG MET A 7 -1.912 -4.038 -0.912 1.00 0.00 C ATOM 104 SD MET A 7 -3.019 -2.803 -1.645 1.00 0.00 S ATOM 105 CE MET A 7 -3.449 -1.804 -0.204 1.00 0.00 C ATOM 0 H MET A 7 0.649 -5.049 -0.288 1.00 0.00 H new ATOM 0 HA MET A 7 -1.397 -7.009 -1.034 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.750 -4.557 -2.629 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.262 -5.432 -2.493 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.436 -4.555 -0.108 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.059 -3.531 -0.462 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.232 -1.095 -0.473 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.806 -2.453 0.595 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.569 -1.259 0.137 1.00 0.00 H new ATOM 115 N LYS A 8 -0.164 -7.878 -3.128 1.00 0.00 N ATOM 116 CA LYS A 8 0.499 -8.228 -4.374 1.00 0.00 C ATOM 117 C LYS A 8 -0.102 -7.368 -5.475 1.00 0.00 C ATOM 118 O LYS A 8 -1.321 -7.236 -5.500 1.00 0.00 O ATOM 119 CB LYS A 8 0.318 -9.697 -4.665 1.00 0.00 C ATOM 120 CG LYS A 8 1.508 -10.211 -5.481 1.00 0.00 C ATOM 121 CD LYS A 8 1.551 -11.681 -5.131 1.00 0.00 C ATOM 122 CE LYS A 8 2.649 -12.384 -5.941 1.00 0.00 C ATOM 123 NZ LYS A 8 2.524 -13.851 -5.897 1.00 0.00 N ATOM 0 H LYS A 8 -0.942 -8.483 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 8 1.571 -8.043 -4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.236 -10.255 -3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.609 -9.857 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.362 -10.055 -6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.434 -9.704 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.740 -11.804 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.585 -12.141 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.604 -12.049 -6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.626 -12.093 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.287 -14.281 -6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.593 -14.176 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.604 -14.133 -6.291 1.00 0.00 H new ATOM 137 N VAL A 9 0.699 -6.769 -6.351 1.00 0.00 N ATOM 138 CA VAL A 9 0.195 -5.921 -7.416 1.00 0.00 C ATOM 139 C VAL A 9 0.679 -6.470 -8.752 1.00 0.00 C ATOM 140 O VAL A 9 1.799 -6.961 -8.841 1.00 0.00 O ATOM 141 CB VAL A 9 0.636 -4.471 -7.193 1.00 0.00 C ATOM 142 CG1 VAL A 9 -0.013 -3.876 -5.940 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.159 -4.309 -7.118 1.00 0.00 C ATOM 0 H VAL A 9 1.715 -6.860 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.895 -5.923 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 9 0.294 -3.921 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.321 -2.847 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.097 -3.895 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.275 -4.463 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.406 -3.259 -6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.548 -4.903 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.608 -4.650 -8.051 1.00 0.00 H new ATOM 153 N GLU A 10 -0.160 -6.378 -9.784 1.00 0.00 N ATOM 154 CA GLU A 10 0.139 -6.929 -11.096 1.00 0.00 C ATOM 155 C GLU A 10 0.268 -5.785 -12.102 1.00 0.00 C ATOM 156 O GLU A 10 -0.501 -4.824 -12.053 1.00 0.00 O ATOM 157 CB GLU A 10 -0.947 -7.914 -11.536 1.00 0.00 C ATOM 158 CG GLU A 10 -1.335 -8.913 -10.432 1.00 0.00 C ATOM 159 CD GLU A 10 -0.218 -9.870 -10.023 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.528 -10.294 -10.930 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.163 -10.194 -8.814 1.00 0.00 O ATOM 0 H GLU A 10 -1.068 -5.917 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 10 1.080 -7.477 -11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.833 -7.357 -11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.598 -8.464 -12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.659 -8.356 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.190 -9.497 -10.772 1.00 0.00 H new ATOM 168 N GLY A 11 1.225 -5.894 -13.021 1.00 0.00 N ATOM 169 CA GLY A 11 1.391 -5.000 -14.160 1.00 0.00 C ATOM 170 C GLY A 11 2.523 -3.991 -13.965 1.00 0.00 C ATOM 171 O GLY A 11 3.187 -3.621 -14.930 1.00 0.00 O ATOM 0 H GLY A 11 1.928 -6.632 -12.990 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.589 -5.592 -15.054 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.458 -4.463 -14.333 1.00 0.00 H new ATOM 175 N MET A 12 2.740 -3.521 -12.735 1.00 0.00 N ATOM 176 CA MET A 12 3.758 -2.518 -12.450 1.00 0.00 C ATOM 177 C MET A 12 5.168 -3.086 -12.618 1.00 0.00 C ATOM 178 O MET A 12 5.722 -3.666 -11.685 1.00 0.00 O ATOM 179 CB MET A 12 3.575 -1.968 -11.034 1.00 0.00 C ATOM 180 CG MET A 12 2.434 -0.952 -10.956 1.00 0.00 C ATOM 181 SD MET A 12 2.405 -0.075 -9.376 1.00 0.00 S ATOM 182 CE MET A 12 1.195 -1.077 -8.501 1.00 0.00 C ATOM 0 H MET A 12 2.216 -3.826 -11.915 1.00 0.00 H new ATOM 0 HA MET A 12 3.638 -1.707 -13.168 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.374 -2.791 -10.349 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.502 -1.498 -10.705 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.536 -0.231 -11.767 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.483 -1.465 -11.102 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.493 -1.178 -7.457 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.218 -0.597 -8.555 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.140 -2.064 -8.960 1.00 0.00 H new ATOM 192 N THR A 13 5.762 -2.884 -13.795 1.00 0.00 N ATOM 193 CA THR A 13 7.087 -3.374 -14.141 1.00 0.00 C ATOM 194 C THR A 13 8.123 -2.247 -14.283 1.00 0.00 C ATOM 195 O THR A 13 9.114 -2.423 -14.992 1.00 0.00 O ATOM 196 CB THR A 13 6.960 -4.214 -15.421 1.00 0.00 C ATOM 197 OG1 THR A 13 6.175 -3.509 -16.361 1.00 0.00 O ATOM 198 CG2 THR A 13 6.286 -5.555 -15.108 1.00 0.00 C ATOM 0 H THR A 13 5.319 -2.361 -14.550 1.00 0.00 H new ATOM 0 HA THR A 13 7.465 -3.993 -13.327 1.00 0.00 H new ATOM 0 HB THR A 13 7.954 -4.400 -15.827 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.092 -4.039 -17.181 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.201 -6.142 -16.023 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.885 -6.102 -14.380 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.292 -5.376 -14.699 1.00 0.00 H new ATOM 206 N CYS A 14 7.952 -1.109 -13.596 1.00 0.00 N ATOM 207 CA CYS A 14 8.963 -0.060 -13.542 1.00 0.00 C ATOM 208 C CYS A 14 8.837 0.691 -12.221 1.00 0.00 C ATOM 209 O CYS A 14 7.788 0.643 -11.579 1.00 0.00 O ATOM 210 CB CYS A 14 8.832 0.889 -14.741 1.00 0.00 C ATOM 211 SG CYS A 14 7.428 2.033 -14.683 1.00 0.00 S ATOM 0 H CYS A 14 7.108 -0.896 -13.065 1.00 0.00 H new ATOM 0 HA CYS A 14 9.954 -0.510 -13.597 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.750 1.472 -14.822 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.753 0.290 -15.649 1.00 0.00 H new ATOM 0 HG CYS A 14 7.431 2.778 -15.748 1.00 0.00 H new ATOM 216 N HIS A 15 9.907 1.385 -11.817 1.00 0.00 N ATOM 217 CA HIS A 15 9.929 2.104 -10.552 1.00 0.00 C ATOM 218 C HIS A 15 9.127 3.411 -10.617 1.00 0.00 C ATOM 219 O HIS A 15 8.905 4.061 -9.593 1.00 0.00 O ATOM 220 CB HIS A 15 11.371 2.350 -10.087 1.00 0.00 C ATOM 221 CG HIS A 15 12.033 3.546 -10.725 1.00 0.00 C ATOM 222 ND1 HIS A 15 11.782 4.861 -10.403 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.987 3.533 -11.706 1.00 0.00 C ATOM 224 CE1 HIS A 15 12.569 5.623 -11.180 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.324 4.860 -11.987 1.00 0.00 N ATOM 0 H HIS A 15 10.770 1.460 -12.356 1.00 0.00 H new ATOM 0 HA HIS A 15 9.439 1.473 -9.810 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.374 2.482 -9.005 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.966 1.462 -10.302 1.00 0.00 H new ATOM 0 HD2 HIS A 15 13.404 2.656 -12.178 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.592 6.703 -11.159 1.00 0.00 H new ATOM 0 HE2 HIS A 15 14.008 5.185 -12.670 1.00 0.00 H new ATOM 233 N SER A 16 8.749 3.855 -11.820 1.00 0.00 N ATOM 234 CA SER A 16 7.946 5.053 -11.966 1.00 0.00 C ATOM 235 C SER A 16 6.603 4.825 -11.284 1.00 0.00 C ATOM 236 O SER A 16 6.240 5.593 -10.400 1.00 0.00 O ATOM 237 CB SER A 16 7.796 5.435 -13.439 1.00 0.00 C ATOM 238 OG SER A 16 9.083 5.546 -14.015 1.00 0.00 O ATOM 0 H SER A 16 8.990 3.398 -12.699 1.00 0.00 H new ATOM 0 HA SER A 16 8.440 5.896 -11.484 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.210 4.682 -13.966 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.259 6.379 -13.531 1.00 0.00 H new ATOM 0 HG SER A 16 8.998 5.789 -14.961 1.00 0.00 H new ATOM 244 N CYS A 17 5.890 3.754 -11.653 1.00 0.00 N ATOM 245 CA CYS A 17 4.600 3.442 -11.059 1.00 0.00 C ATOM 246 C CYS A 17 4.713 3.345 -9.535 1.00 0.00 C ATOM 247 O CYS A 17 3.954 3.992 -8.811 1.00 0.00 O ATOM 248 CB CYS A 17 4.041 2.147 -11.650 1.00 0.00 C ATOM 249 SG CYS A 17 3.907 2.097 -13.456 1.00 0.00 S ATOM 0 H CYS A 17 6.194 3.090 -12.365 1.00 0.00 H new ATOM 0 HA CYS A 17 3.908 4.251 -11.292 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.674 1.320 -11.329 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.052 1.974 -11.226 1.00 0.00 H new ATOM 0 HG CYS A 17 5.097 2.075 -13.979 1.00 0.00 H new ATOM 254 N THR A 18 5.670 2.543 -9.059 1.00 0.00 N ATOM 255 CA THR A 18 5.894 2.329 -7.640 1.00 0.00 C ATOM 256 C THR A 18 6.046 3.674 -6.928 1.00 0.00 C ATOM 257 O THR A 18 5.254 4.001 -6.049 1.00 0.00 O ATOM 258 CB THR A 18 7.106 1.408 -7.411 1.00 0.00 C ATOM 259 OG1 THR A 18 8.308 2.027 -7.798 1.00 0.00 O ATOM 260 CG2 THR A 18 6.984 0.077 -8.160 1.00 0.00 C ATOM 0 H THR A 18 6.312 2.024 -9.658 1.00 0.00 H new ATOM 0 HA THR A 18 5.029 1.823 -7.212 1.00 0.00 H new ATOM 0 HB THR A 18 7.120 1.209 -6.339 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.057 1.416 -7.638 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.865 -0.533 -7.963 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.093 -0.451 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.906 0.268 -9.230 1.00 0.00 H new ATOM 268 N SER A 19 7.039 4.468 -7.338 1.00 0.00 N ATOM 269 CA SER A 19 7.324 5.777 -6.764 1.00 0.00 C ATOM 270 C SER A 19 6.104 6.704 -6.859 1.00 0.00 C ATOM 271 O SER A 19 5.767 7.375 -5.888 1.00 0.00 O ATOM 272 CB SER A 19 8.552 6.366 -7.466 1.00 0.00 C ATOM 273 OG SER A 19 8.973 7.558 -6.832 1.00 0.00 O ATOM 0 H SER A 19 7.676 4.210 -8.092 1.00 0.00 H new ATOM 0 HA SER A 19 7.544 5.672 -5.701 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.364 5.639 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.316 6.569 -8.511 1.00 0.00 H new ATOM 0 HG SER A 19 9.759 7.915 -7.296 1.00 0.00 H new ATOM 279 N THR A 20 5.417 6.744 -8.004 1.00 0.00 N ATOM 280 CA THR A 20 4.201 7.530 -8.172 1.00 0.00 C ATOM 281 C THR A 20 3.163 7.156 -7.112 1.00 0.00 C ATOM 282 O THR A 20 2.592 8.040 -6.473 1.00 0.00 O ATOM 283 CB THR A 20 3.660 7.366 -9.604 1.00 0.00 C ATOM 284 OG1 THR A 20 4.554 7.973 -10.515 1.00 0.00 O ATOM 285 CG2 THR A 20 2.283 8.007 -9.798 1.00 0.00 C ATOM 0 H THR A 20 5.693 6.229 -8.840 1.00 0.00 H new ATOM 0 HA THR A 20 4.433 8.585 -8.027 1.00 0.00 H new ATOM 0 HB THR A 20 3.565 6.295 -9.782 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.293 7.359 -10.707 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.954 7.859 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.567 7.545 -9.118 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.346 9.075 -9.587 1.00 0.00 H new ATOM 293 N ILE A 21 2.904 5.863 -6.916 1.00 0.00 N ATOM 294 CA ILE A 21 1.959 5.396 -5.922 1.00 0.00 C ATOM 295 C ILE A 21 2.452 5.758 -4.522 1.00 0.00 C ATOM 296 O ILE A 21 1.700 6.341 -3.746 1.00 0.00 O ATOM 297 CB ILE A 21 1.765 3.887 -6.148 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.600 3.663 -7.110 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.511 3.104 -4.873 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.819 2.398 -7.929 1.00 0.00 C ATOM 0 H ILE A 21 3.349 5.114 -7.447 1.00 0.00 H new ATOM 0 HA ILE A 21 0.987 5.879 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 21 2.702 3.516 -6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.332 3.584 -6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.500 4.521 -7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.384 2.048 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.358 3.223 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.608 3.477 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.021 2.255 -8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.740 2.492 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.895 1.540 -7.261 1.00 0.00 H new ATOM 312 N GLU A 22 3.710 5.439 -4.212 1.00 0.00 N ATOM 313 CA GLU A 22 4.372 5.807 -2.968 1.00 0.00 C ATOM 314 C GLU A 22 4.116 7.291 -2.665 1.00 0.00 C ATOM 315 O GLU A 22 3.649 7.636 -1.581 1.00 0.00 O ATOM 316 CB GLU A 22 5.865 5.410 -3.049 1.00 0.00 C ATOM 317 CG GLU A 22 6.104 4.065 -2.341 1.00 0.00 C ATOM 318 CD GLU A 22 7.567 3.630 -2.283 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.394 4.466 -1.864 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.833 2.447 -2.592 1.00 0.00 O ATOM 0 H GLU A 22 4.309 4.903 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 22 3.961 5.260 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.172 5.338 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.479 6.184 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.717 4.131 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.529 3.293 -2.852 1.00 0.00 H new ATOM 327 N GLY A 23 4.340 8.163 -3.649 1.00 0.00 N ATOM 328 CA GLY A 23 4.047 9.582 -3.568 1.00 0.00 C ATOM 329 C GLY A 23 2.567 9.857 -3.294 1.00 0.00 C ATOM 330 O GLY A 23 2.233 10.521 -2.314 1.00 0.00 O ATOM 0 H GLY A 23 4.741 7.888 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.649 10.030 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.337 10.064 -4.502 1.00 0.00 H new ATOM 334 N LYS A 24 1.673 9.390 -4.175 1.00 0.00 N ATOM 335 CA LYS A 24 0.254 9.702 -4.089 1.00 0.00 C ATOM 336 C LYS A 24 -0.301 9.273 -2.734 1.00 0.00 C ATOM 337 O LYS A 24 -0.899 10.059 -2.005 1.00 0.00 O ATOM 338 CB LYS A 24 -0.514 9.018 -5.234 1.00 0.00 C ATOM 339 CG LYS A 24 -1.906 9.638 -5.460 1.00 0.00 C ATOM 340 CD LYS A 24 -1.947 10.738 -6.537 1.00 0.00 C ATOM 341 CE LYS A 24 -1.796 12.154 -5.962 1.00 0.00 C ATOM 342 NZ LYS A 24 -1.969 13.192 -7.003 1.00 0.00 N ATOM 0 H LYS A 24 1.919 8.789 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 24 0.125 10.780 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.067 9.092 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.624 7.957 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.601 8.847 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.261 10.056 -4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.151 10.560 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.890 10.672 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.531 12.306 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.812 12.258 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.860 14.134 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.251 13.063 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.918 13.109 -7.421 1.00 0.00 H new ATOM 356 N ILE A 25 -0.106 7.999 -2.418 1.00 0.00 N ATOM 357 CA ILE A 25 -0.645 7.378 -1.227 1.00 0.00 C ATOM 358 C ILE A 25 0.086 7.909 0.010 1.00 0.00 C ATOM 359 O ILE A 25 -0.519 8.082 1.066 1.00 0.00 O ATOM 360 CB ILE A 25 -0.608 5.853 -1.370 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.293 5.355 -2.645 1.00 0.00 C ATOM 362 CG2 ILE A 25 -1.146 5.148 -0.121 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.778 5.658 -2.675 1.00 0.00 C ATOM 0 H ILE A 25 0.442 7.362 -2.996 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.695 7.642 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 25 0.444 5.585 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.816 5.815 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.145 4.279 -2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.102 4.068 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.540 5.424 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.180 5.449 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.208 5.281 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.265 5.176 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.931 6.736 -2.616 1.00 0.00 H new ATOM 375 N GLY A 26 1.375 8.237 -0.117 1.00 0.00 N ATOM 376 CA GLY A 26 2.128 8.923 0.921 1.00 0.00 C ATOM 377 C GLY A 26 1.416 10.176 1.441 1.00 0.00 C ATOM 378 O GLY A 26 1.570 10.526 2.609 1.00 0.00 O ATOM 0 H GLY A 26 1.924 8.030 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.301 8.238 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.106 9.203 0.529 1.00 0.00 H new ATOM 382 N LYS A 27 0.638 10.862 0.594 1.00 0.00 N ATOM 383 CA LYS A 27 -0.080 12.065 0.974 1.00 0.00 C ATOM 384 C LYS A 27 -1.375 11.759 1.760 1.00 0.00 C ATOM 385 O LYS A 27 -2.030 12.692 2.221 1.00 0.00 O ATOM 386 CB LYS A 27 -0.258 12.918 -0.298 1.00 0.00 C ATOM 387 CG LYS A 27 -1.197 14.113 -0.133 1.00 0.00 C ATOM 388 CD LYS A 27 -0.985 15.175 -1.223 1.00 0.00 C ATOM 389 CE LYS A 27 0.026 16.229 -0.744 1.00 0.00 C ATOM 390 NZ LYS A 27 0.307 17.257 -1.769 1.00 0.00 N ATOM 0 H LYS A 27 0.494 10.589 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 27 0.490 12.654 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.719 13.281 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.638 12.281 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.230 13.767 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.039 14.564 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.624 14.703 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.934 15.654 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.358 16.713 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.957 15.734 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.994 17.942 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.699 16.802 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.574 17.751 -2.016 1.00 0.00 H new ATOM 404 N LEU A 28 -1.762 10.492 1.958 1.00 0.00 N ATOM 405 CA LEU A 28 -2.913 10.169 2.787 1.00 0.00 C ATOM 406 C LEU A 28 -2.630 10.451 4.263 1.00 0.00 C ATOM 407 O LEU A 28 -1.612 10.025 4.805 1.00 0.00 O ATOM 408 CB LEU A 28 -3.279 8.700 2.652 1.00 0.00 C ATOM 409 CG LEU A 28 -3.763 8.261 1.260 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.698 7.079 1.487 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.512 9.329 0.452 1.00 0.00 C ATOM 0 H LEU A 28 -1.292 9.682 1.554 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.736 10.796 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.409 8.101 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.059 8.470 3.377 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.878 8.029 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.074 6.723 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.155 6.275 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.535 7.392 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.808 8.915 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.400 9.644 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.861 10.188 0.293 1.00 0.00 H new ATOM 423 N GLN A 29 -3.574 11.103 4.944 1.00 0.00 N ATOM 424 CA GLN A 29 -3.496 11.291 6.381 1.00 0.00 C ATOM 425 C GLN A 29 -3.884 9.997 7.089 1.00 0.00 C ATOM 426 O GLN A 29 -5.029 9.565 7.014 1.00 0.00 O ATOM 427 CB GLN A 29 -4.394 12.454 6.807 1.00 0.00 C ATOM 428 CG GLN A 29 -4.512 12.567 8.334 1.00 0.00 C ATOM 429 CD GLN A 29 -5.145 13.890 8.761 1.00 0.00 C ATOM 430 OE1 GLN A 29 -5.724 14.609 7.954 1.00 0.00 O ATOM 431 NE2 GLN A 29 -5.030 14.237 10.040 1.00 0.00 N ATOM 0 H GLN A 29 -4.404 11.510 4.513 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.473 11.540 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.994 13.385 6.405 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.387 12.321 6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.111 11.739 8.714 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.522 12.477 8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.544 13.623 10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.428 15.117 10.367 1.00 0.00 H new ATOM 440 N GLY A 30 -2.931 9.409 7.806 1.00 0.00 N ATOM 441 CA GLY A 30 -3.126 8.196 8.590 1.00 0.00 C ATOM 442 C GLY A 30 -2.053 7.156 8.303 1.00 0.00 C ATOM 443 O GLY A 30 -1.964 6.136 8.993 1.00 0.00 O ATOM 0 H GLY A 30 -1.979 9.772 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.116 8.444 9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.107 7.775 8.370 1.00 0.00 H new ATOM 447 N VAL A 31 -1.242 7.417 7.278 1.00 0.00 N ATOM 448 CA VAL A 31 -0.136 6.571 6.910 1.00 0.00 C ATOM 449 C VAL A 31 1.089 6.925 7.751 1.00 0.00 C ATOM 450 O VAL A 31 1.249 8.065 8.185 1.00 0.00 O ATOM 451 CB VAL A 31 0.091 6.722 5.396 1.00 0.00 C ATOM 452 CG1 VAL A 31 0.951 7.939 5.029 1.00 0.00 C ATOM 453 CG2 VAL A 31 0.706 5.457 4.791 1.00 0.00 C ATOM 0 H VAL A 31 -1.347 8.236 6.680 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.344 5.521 7.114 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.900 6.882 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.072 7.986 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.463 8.848 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.930 7.848 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.852 5.600 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.667 5.257 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.037 4.612 4.956 1.00 0.00 H new ATOM 463 N GLN A 32 1.940 5.930 7.980 1.00 0.00 N ATOM 464 CA GLN A 32 3.222 6.050 8.655 1.00 0.00 C ATOM 465 C GLN A 32 4.344 5.861 7.634 1.00 0.00 C ATOM 466 O GLN A 32 5.344 6.575 7.671 1.00 0.00 O ATOM 467 CB GLN A 32 3.278 5.014 9.781 1.00 0.00 C ATOM 468 CG GLN A 32 2.389 5.433 10.959 1.00 0.00 C ATOM 469 CD GLN A 32 3.188 6.061 12.100 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.107 6.841 11.868 1.00 0.00 O ATOM 471 NE2 GLN A 32 2.841 5.747 13.345 1.00 0.00 N ATOM 0 H GLN A 32 1.742 4.974 7.685 1.00 0.00 H new ATOM 0 HA GLN A 32 3.347 7.038 9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.954 4.044 9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.307 4.897 10.121 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.640 6.144 10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.852 4.561 11.333 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.074 5.096 13.512 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.342 6.157 14.133 1.00 0.00 H new ATOM 480 N ARG A 33 4.188 4.912 6.704 1.00 0.00 N ATOM 481 CA ARG A 33 5.151 4.659 5.649 1.00 0.00 C ATOM 482 C ARG A 33 4.474 3.852 4.553 1.00 0.00 C ATOM 483 O ARG A 33 3.336 3.405 4.674 1.00 0.00 O ATOM 484 CB ARG A 33 6.407 3.969 6.221 1.00 0.00 C ATOM 485 CG ARG A 33 7.682 4.407 5.484 1.00 0.00 C ATOM 486 CD ARG A 33 8.919 4.274 6.377 1.00 0.00 C ATOM 487 NE ARG A 33 10.037 5.050 5.814 1.00 0.00 N ATOM 488 CZ ARG A 33 11.021 5.619 6.532 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.180 5.300 7.822 1.00 0.00 N ATOM 490 NH2 ARG A 33 11.837 6.507 5.953 1.00 0.00 N ATOM 0 H ARG A 33 3.376 4.295 6.671 1.00 0.00 H new ATOM 0 HA ARG A 33 5.495 5.595 5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.501 4.204 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.295 2.888 6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.812 3.801 4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.577 5.441 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.691 4.628 7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.202 3.225 6.465 1.00 0.00 H new ATOM 0 HE ARG A 33 10.067 5.165 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.554 4.625 8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.927 5.732 8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.711 6.750 4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.585 6.941 6.494 1.00 0.00 H new ATOM 504 N ILE A 34 5.185 3.684 3.455 1.00 0.00 N ATOM 505 CA ILE A 34 4.743 2.946 2.312 1.00 0.00 C ATOM 506 C ILE A 34 6.038 2.536 1.623 1.00 0.00 C ATOM 507 O ILE A 34 7.031 3.263 1.699 1.00 0.00 O ATOM 508 CB ILE A 34 3.789 3.825 1.485 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.277 3.034 0.273 1.00 0.00 C ATOM 510 CG2 ILE A 34 4.408 5.188 1.131 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.032 3.665 -0.344 1.00 0.00 C ATOM 0 H ILE A 34 6.120 4.077 3.341 1.00 0.00 H new ATOM 0 HA ILE A 34 4.154 2.053 2.521 1.00 0.00 H new ATOM 0 HB ILE A 34 2.920 4.078 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.064 2.976 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.051 2.012 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.695 5.771 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.652 5.726 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.316 5.035 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.708 3.070 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.235 3.699 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.263 4.678 -0.674 1.00 0.00 H new ATOM 523 N LYS A 35 6.053 1.336 1.061 1.00 0.00 N ATOM 524 CA LYS A 35 7.127 0.793 0.268 1.00 0.00 C ATOM 525 C LYS A 35 6.545 -0.031 -0.879 1.00 0.00 C ATOM 526 O LYS A 35 5.500 -0.643 -0.708 1.00 0.00 O ATOM 527 CB LYS A 35 8.114 -0.001 1.139 1.00 0.00 C ATOM 528 CG LYS A 35 9.275 0.811 1.717 1.00 0.00 C ATOM 529 CD LYS A 35 10.195 1.303 0.594 1.00 0.00 C ATOM 530 CE LYS A 35 11.530 1.838 1.124 1.00 0.00 C ATOM 531 NZ LYS A 35 12.400 0.758 1.636 1.00 0.00 N ATOM 0 H LYS A 35 5.272 0.687 1.156 1.00 0.00 H new ATOM 0 HA LYS A 35 7.706 1.606 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.563 -0.454 1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.524 -0.817 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.888 1.662 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.842 0.198 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.385 0.485 -0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.690 2.088 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.048 2.372 0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.341 2.558 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.354 1.134 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.007 0.387 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.452 -0.008 0.934 1.00 0.00 H new ATOM 545 N VAL A 36 7.179 -0.071 -2.047 1.00 0.00 N ATOM 546 CA VAL A 36 6.749 -0.943 -3.135 1.00 0.00 C ATOM 547 C VAL A 36 7.972 -1.625 -3.770 1.00 0.00 C ATOM 548 O VAL A 36 9.061 -1.053 -3.814 1.00 0.00 O ATOM 549 CB VAL A 36 5.886 -0.137 -4.124 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.419 -0.999 -5.304 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.629 0.459 -3.473 1.00 0.00 C ATOM 0 H VAL A 36 7.999 0.495 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 36 6.117 -1.751 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 36 6.536 0.668 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.813 -0.394 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.287 -1.382 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.825 -1.834 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.062 1.015 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.011 -0.344 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.921 1.130 -2.665 1.00 0.00 H new ATOM 561 N SER A 37 7.781 -2.867 -4.225 1.00 0.00 N ATOM 562 CA SER A 37 8.781 -3.776 -4.766 1.00 0.00 C ATOM 563 C SER A 37 8.357 -4.235 -6.159 1.00 0.00 C ATOM 564 O SER A 37 7.165 -4.384 -6.425 1.00 0.00 O ATOM 565 CB SER A 37 8.913 -4.997 -3.864 1.00 0.00 C ATOM 566 OG SER A 37 9.205 -4.629 -2.530 1.00 0.00 O ATOM 0 H SER A 37 6.852 -3.289 -4.222 1.00 0.00 H new ATOM 0 HA SER A 37 9.737 -3.256 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.987 -5.571 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.701 -5.647 -4.244 1.00 0.00 H new ATOM 0 HG SER A 37 9.281 -5.435 -1.978 1.00 0.00 H new ATOM 572 N LEU A 38 9.343 -4.494 -7.020 1.00 0.00 N ATOM 573 CA LEU A 38 9.184 -4.774 -8.441 1.00 0.00 C ATOM 574 C LEU A 38 9.232 -6.276 -8.710 1.00 0.00 C ATOM 575 O LEU A 38 8.293 -6.832 -9.276 1.00 0.00 O ATOM 576 CB LEU A 38 10.312 -4.031 -9.160 1.00 0.00 C ATOM 577 CG LEU A 38 10.547 -4.380 -10.634 1.00 0.00 C ATOM 578 CD1 LEU A 38 9.330 -4.046 -11.497 1.00 0.00 C ATOM 579 CD2 LEU A 38 11.765 -3.605 -11.148 1.00 0.00 C ATOM 0 H LEU A 38 10.320 -4.514 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 38 8.214 -4.436 -8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.110 -2.962 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.239 -4.215 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 38 10.721 -5.454 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.537 -4.308 -12.535 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.468 -4.612 -11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.117 -2.979 -11.428 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.936 -3.850 -12.196 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.583 -2.535 -11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.643 -3.878 -10.563 1.00 0.00 H new ATOM 591 N ASP A 39 10.323 -6.929 -8.303 1.00 0.00 N ATOM 592 CA ASP A 39 10.628 -8.329 -8.576 1.00 0.00 C ATOM 593 C ASP A 39 9.442 -9.209 -8.226 1.00 0.00 C ATOM 594 O ASP A 39 8.900 -9.928 -9.062 1.00 0.00 O ATOM 595 CB ASP A 39 11.823 -8.780 -7.720 1.00 0.00 C ATOM 596 CG ASP A 39 13.006 -7.824 -7.799 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.788 -6.647 -7.423 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.085 -8.278 -8.229 1.00 0.00 O ATOM 0 H ASP A 39 11.048 -6.473 -7.750 1.00 0.00 H new ATOM 0 HA ASP A 39 10.860 -8.423 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.505 -8.871 -6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.141 -9.771 -8.044 1.00 0.00 H new ATOM 603 N ASN A 40 9.049 -9.129 -6.953 1.00 0.00 N ATOM 604 CA ASN A 40 7.937 -9.898 -6.425 1.00 0.00 C ATOM 605 C ASN A 40 6.602 -9.178 -6.678 1.00 0.00 C ATOM 606 O ASN A 40 5.553 -9.656 -6.259 1.00 0.00 O ATOM 607 CB ASN A 40 8.163 -10.218 -4.949 1.00 0.00 C ATOM 608 CG ASN A 40 7.746 -11.645 -4.585 1.00 0.00 C ATOM 609 OD1 ASN A 40 6.649 -12.099 -4.893 1.00 0.00 O ATOM 610 ND2 ASN A 40 8.646 -12.387 -3.943 1.00 0.00 N ATOM 0 H ASN A 40 9.498 -8.526 -6.264 1.00 0.00 H new ATOM 0 HA ASN A 40 7.882 -10.850 -6.954 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.217 -10.079 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.601 -9.512 -4.338 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.429 -13.353 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.552 -11.989 -3.696 1.00 0.00 H new ATOM 617 N GLN A 41 6.674 -8.004 -7.326 1.00 0.00 N ATOM 618 CA GLN A 41 5.602 -7.079 -7.654 1.00 0.00 C ATOM 619 C GLN A 41 4.620 -6.945 -6.480 1.00 0.00 C ATOM 620 O GLN A 41 3.500 -7.459 -6.493 1.00 0.00 O ATOM 621 CB GLN A 41 4.998 -7.485 -9.007 1.00 0.00 C ATOM 622 CG GLN A 41 4.791 -6.277 -9.935 1.00 0.00 C ATOM 623 CD GLN A 41 4.702 -6.709 -11.394 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.652 -6.628 -12.028 1.00 0.00 O ATOM 625 NE2 GLN A 41 5.817 -7.183 -11.943 1.00 0.00 N ATOM 0 H GLN A 41 7.573 -7.656 -7.660 1.00 0.00 H new ATOM 0 HA GLN A 41 5.970 -6.062 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.653 -8.207 -9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.042 -7.983 -8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.879 -5.751 -9.653 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.615 -5.575 -9.811 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.673 -7.238 -11.392 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.816 -7.491 -12.915 1.00 0.00 H new ATOM 634 N GLU A 42 5.086 -6.286 -5.416 1.00 0.00 N ATOM 635 CA GLU A 42 4.468 -6.344 -4.099 1.00 0.00 C ATOM 636 C GLU A 42 4.506 -4.951 -3.470 1.00 0.00 C ATOM 637 O GLU A 42 5.438 -4.196 -3.721 1.00 0.00 O ATOM 638 CB GLU A 42 5.190 -7.421 -3.272 1.00 0.00 C ATOM 639 CG GLU A 42 4.521 -7.676 -1.920 1.00 0.00 C ATOM 640 CD GLU A 42 4.847 -9.062 -1.381 1.00 0.00 C ATOM 641 OE1 GLU A 42 4.185 -10.022 -1.821 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.729 -9.124 -0.495 1.00 0.00 O ATOM 0 H GLU A 42 5.914 -5.691 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 42 3.418 -6.631 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.218 -8.351 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.224 -7.116 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.848 -6.921 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.441 -7.571 -2.023 1.00 0.00 H new ATOM 649 N ALA A 43 3.482 -4.595 -2.693 1.00 0.00 N ATOM 650 CA ALA A 43 3.217 -3.252 -2.204 1.00 0.00 C ATOM 651 C ALA A 43 3.009 -3.286 -0.689 1.00 0.00 C ATOM 652 O ALA A 43 2.032 -3.849 -0.201 1.00 0.00 O ATOM 653 CB ALA A 43 1.998 -2.684 -2.934 1.00 0.00 C ATOM 0 H ALA A 43 2.786 -5.270 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 43 4.067 -2.600 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.794 -1.676 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.198 -2.651 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.133 -3.319 -2.746 1.00 0.00 H new ATOM 659 N THR A 44 3.940 -2.676 0.038 1.00 0.00 N ATOM 660 CA THR A 44 3.983 -2.486 1.479 1.00 0.00 C ATOM 661 C THR A 44 3.279 -1.188 1.843 1.00 0.00 C ATOM 662 O THR A 44 3.727 -0.124 1.435 1.00 0.00 O ATOM 663 CB THR A 44 5.467 -2.374 1.876 1.00 0.00 C ATOM 664 OG1 THR A 44 6.173 -3.501 1.391 1.00 0.00 O ATOM 665 CG2 THR A 44 5.648 -2.304 3.393 1.00 0.00 C ATOM 0 H THR A 44 4.758 -2.265 -0.411 1.00 0.00 H new ATOM 0 HA THR A 44 3.493 -3.313 1.993 1.00 0.00 H new ATOM 0 HB THR A 44 5.854 -1.454 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.117 -3.428 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.709 -2.226 3.630 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.124 -1.431 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.240 -3.205 3.850 1.00 0.00 H new ATOM 673 N ILE A 45 2.209 -1.239 2.630 1.00 0.00 N ATOM 674 CA ILE A 45 1.529 -0.046 3.085 1.00 0.00 C ATOM 675 C ILE A 45 1.558 -0.087 4.604 1.00 0.00 C ATOM 676 O ILE A 45 1.168 -1.096 5.194 1.00 0.00 O ATOM 677 CB ILE A 45 0.120 -0.014 2.492 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.152 0.241 0.979 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.703 1.094 3.153 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.601 -0.902 0.066 1.00 0.00 C ATOM 0 H ILE A 45 1.795 -2.109 2.966 1.00 0.00 H new ATOM 0 HA ILE A 45 2.009 0.876 2.755 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.333 -0.988 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.849 0.541 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.810 1.091 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.705 1.109 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.770 0.907 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.221 2.057 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.571 -0.571 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.618 -1.196 0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.066 -1.754 0.195 1.00 0.00 H new ATOM 692 N VAL A 46 2.085 0.975 5.218 1.00 0.00 N ATOM 693 CA VAL A 46 2.372 1.030 6.640 1.00 0.00 C ATOM 694 C VAL A 46 1.527 2.144 7.244 1.00 0.00 C ATOM 695 O VAL A 46 1.816 3.320 7.022 1.00 0.00 O ATOM 696 CB VAL A 46 3.878 1.249 6.857 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.243 0.973 8.313 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.710 0.421 5.869 1.00 0.00 C ATOM 0 H VAL A 46 2.326 1.834 4.724 1.00 0.00 H new ATOM 0 HA VAL A 46 2.117 0.093 7.135 1.00 0.00 H new ATOM 0 HB VAL A 46 4.118 2.293 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.312 1.131 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.686 1.649 8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.992 -0.058 8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.770 0.598 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.491 -0.638 6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.461 0.714 4.849 1.00 0.00 H new ATOM 708 N TYR A 47 0.457 1.800 7.961 1.00 0.00 N ATOM 709 CA TYR A 47 -0.552 2.771 8.357 1.00 0.00 C ATOM 710 C TYR A 47 -1.003 2.562 9.790 1.00 0.00 C ATOM 711 O TYR A 47 -0.703 1.538 10.405 1.00 0.00 O ATOM 712 CB TYR A 47 -1.741 2.723 7.387 1.00 0.00 C ATOM 713 CG TYR A 47 -2.682 1.555 7.617 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.299 0.256 7.235 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.887 1.746 8.320 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.127 -0.841 7.531 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.721 0.652 8.596 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.341 -0.640 8.207 1.00 0.00 C ATOM 719 OH TYR A 47 -5.157 -1.694 8.492 1.00 0.00 O ATOM 0 H TYR A 47 0.270 0.849 8.279 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.103 3.763 8.309 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.304 3.652 7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.362 2.674 6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.366 0.101 6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.170 2.736 8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.830 -1.837 7.239 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.658 0.806 9.110 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.954 -1.373 8.964 1.00 0.00 H new ATOM 729 N GLN A 48 -1.724 3.556 10.310 1.00 0.00 N ATOM 730 CA GLN A 48 -2.169 3.596 11.682 1.00 0.00 C ATOM 731 C GLN A 48 -3.652 3.197 11.749 1.00 0.00 C ATOM 732 O GLN A 48 -4.504 3.978 11.314 1.00 0.00 O ATOM 733 CB GLN A 48 -1.900 5.016 12.190 1.00 0.00 C ATOM 734 CG GLN A 48 -1.798 5.061 13.721 1.00 0.00 C ATOM 735 CD GLN A 48 -0.690 4.156 14.266 1.00 0.00 C ATOM 736 OE1 GLN A 48 0.477 4.314 13.919 1.00 0.00 O ATOM 737 NE2 GLN A 48 -1.053 3.170 15.083 1.00 0.00 N ATOM 0 H GLN A 48 -2.016 4.369 9.767 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.637 2.889 12.319 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.974 5.390 11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.700 5.679 11.859 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.613 6.087 14.039 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.752 4.761 14.154 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.031 3.065 15.353 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.353 2.519 15.439 1.00 0.00 H new ATOM 746 N PRO A 49 -3.984 1.997 12.262 1.00 0.00 N ATOM 747 CA PRO A 49 -5.343 1.477 12.255 1.00 0.00 C ATOM 748 C PRO A 49 -6.219 2.255 13.236 1.00 0.00 C ATOM 749 O PRO A 49 -6.410 1.844 14.377 1.00 0.00 O ATOM 750 CB PRO A 49 -5.223 -0.006 12.617 1.00 0.00 C ATOM 751 CG PRO A 49 -3.991 -0.023 13.517 1.00 0.00 C ATOM 752 CD PRO A 49 -3.084 1.009 12.846 1.00 0.00 C ATOM 0 HA PRO A 49 -5.826 1.589 11.284 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.110 -0.371 13.135 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.090 -0.631 11.734 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.233 0.254 14.543 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.528 -1.009 13.554 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.411 1.470 13.569 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.461 0.546 12.081 1.00 0.00 H new ATOM 760 N HIS A 50 -6.731 3.387 12.758 1.00 0.00 N ATOM 761 CA HIS A 50 -7.651 4.305 13.414 1.00 0.00 C ATOM 762 C HIS A 50 -7.867 5.494 12.481 1.00 0.00 C ATOM 763 O HIS A 50 -8.995 5.949 12.311 1.00 0.00 O ATOM 764 CB HIS A 50 -7.122 4.793 14.775 1.00 0.00 C ATOM 765 CG HIS A 50 -7.705 4.064 15.962 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.059 3.135 16.743 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.971 4.215 16.465 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.916 2.740 17.698 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.094 3.372 17.574 1.00 0.00 N ATOM 0 H HIS A 50 -6.490 3.710 11.821 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.587 3.783 13.613 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.038 4.683 14.792 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.336 5.857 14.875 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.737 4.869 16.074 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.688 2.012 18.463 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.914 3.260 18.169 1.00 0.00 H new ATOM 777 N LEU A 51 -6.783 6.009 11.889 1.00 0.00 N ATOM 778 CA LEU A 51 -6.861 7.205 11.062 1.00 0.00 C ATOM 779 C LEU A 51 -7.427 6.874 9.685 1.00 0.00 C ATOM 780 O LEU A 51 -8.358 7.525 9.219 1.00 0.00 O ATOM 781 CB LEU A 51 -5.493 7.873 10.969 1.00 0.00 C ATOM 782 CG LEU A 51 -4.994 8.371 12.341 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.526 8.810 12.268 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.819 9.554 12.866 1.00 0.00 C ATOM 0 H LEU A 51 -5.847 5.613 11.971 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.545 7.914 11.529 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.773 7.166 10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.547 8.713 10.277 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.104 7.529 13.024 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.201 9.156 13.249 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.909 7.967 11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.424 9.619 11.545 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.429 9.868 13.834 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.754 10.384 12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.860 9.251 12.975 1.00 0.00 H new ATOM 796 N ILE A 52 -6.844 5.868 9.032 1.00 0.00 N ATOM 797 CA ILE A 52 -7.203 5.406 7.710 1.00 0.00 C ATOM 798 C ILE A 52 -7.274 3.874 7.756 1.00 0.00 C ATOM 799 O ILE A 52 -6.988 3.286 8.801 1.00 0.00 O ATOM 800 CB ILE A 52 -6.148 5.975 6.744 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.794 6.396 5.436 1.00 0.00 C ATOM 802 CG2 ILE A 52 -5.003 5.001 6.448 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.511 7.747 5.520 1.00 0.00 C ATOM 0 H ILE A 52 -6.075 5.335 9.437 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.178 5.746 7.362 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.717 6.839 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.029 6.446 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.509 5.632 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.297 5.467 5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.492 4.747 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.404 4.094 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.950 7.987 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.298 7.695 6.272 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.796 8.522 5.796 1.00 0.00 H new ATOM 815 N SER A 53 -7.649 3.217 6.653 1.00 0.00 N ATOM 816 CA SER A 53 -7.780 1.768 6.600 1.00 0.00 C ATOM 817 C SER A 53 -7.175 1.221 5.311 1.00 0.00 C ATOM 818 O SER A 53 -6.872 1.972 4.382 1.00 0.00 O ATOM 819 CB SER A 53 -9.262 1.383 6.703 1.00 0.00 C ATOM 820 OG SER A 53 -9.924 1.647 5.477 1.00 0.00 O ATOM 0 H SER A 53 -7.869 3.682 5.772 1.00 0.00 H new ATOM 0 HA SER A 53 -7.238 1.332 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.354 0.326 6.954 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.736 1.944 7.508 1.00 0.00 H new ATOM 0 HG SER A 53 -10.868 1.396 5.554 1.00 0.00 H new ATOM 826 N VAL A 54 -7.094 -0.110 5.242 1.00 0.00 N ATOM 827 CA VAL A 54 -6.836 -0.839 4.010 1.00 0.00 C ATOM 828 C VAL A 54 -7.745 -0.348 2.880 1.00 0.00 C ATOM 829 O VAL A 54 -7.344 -0.382 1.721 1.00 0.00 O ATOM 830 CB VAL A 54 -7.075 -2.344 4.218 1.00 0.00 C ATOM 831 CG1 VAL A 54 -6.869 -3.087 2.893 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.157 -2.989 5.263 1.00 0.00 C ATOM 0 H VAL A 54 -7.208 -0.715 6.055 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.796 -0.663 3.736 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.098 -2.428 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.039 -4.153 3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.572 -2.709 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.850 -2.928 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.391 -4.050 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.118 -2.870 4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.308 -2.506 6.228 1.00 0.00 H new ATOM 842 N GLU A 55 -8.992 0.029 3.184 1.00 0.00 N ATOM 843 CA GLU A 55 -9.970 0.259 2.137 1.00 0.00 C ATOM 844 C GLU A 55 -9.609 1.517 1.356 1.00 0.00 C ATOM 845 O GLU A 55 -9.520 1.449 0.145 1.00 0.00 O ATOM 846 CB GLU A 55 -11.389 0.243 2.711 1.00 0.00 C ATOM 847 CG GLU A 55 -12.455 -0.265 1.725 1.00 0.00 C ATOM 848 CD GLU A 55 -13.148 0.816 0.911 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.572 1.905 0.726 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.266 0.526 0.429 1.00 0.00 O ATOM 0 H GLU A 55 -9.336 0.177 4.133 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.950 -0.555 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.403 -0.385 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.653 1.252 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.986 -0.970 1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.210 -0.818 2.284 1.00 0.00 H new ATOM 857 N GLU A 56 -9.293 2.622 2.034 1.00 0.00 N ATOM 858 CA GLU A 56 -8.827 3.855 1.431 1.00 0.00 C ATOM 859 C GLU A 56 -7.566 3.549 0.634 1.00 0.00 C ATOM 860 O GLU A 56 -7.495 3.865 -0.547 1.00 0.00 O ATOM 861 CB GLU A 56 -8.586 4.922 2.517 1.00 0.00 C ATOM 862 CG GLU A 56 -9.468 6.156 2.279 1.00 0.00 C ATOM 863 CD GLU A 56 -8.981 6.986 1.097 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.902 7.595 1.238 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.676 7.007 0.057 1.00 0.00 O ATOM 0 H GLU A 56 -9.359 2.677 3.050 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.578 4.262 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.800 4.501 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.536 5.215 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.495 5.838 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.477 6.774 3.177 1.00 0.00 H new ATOM 872 N MET A 57 -6.587 2.884 1.257 1.00 0.00 N ATOM 873 CA MET A 57 -5.399 2.440 0.563 1.00 0.00 C ATOM 874 C MET A 57 -5.737 1.738 -0.762 1.00 0.00 C ATOM 875 O MET A 57 -5.325 2.200 -1.822 1.00 0.00 O ATOM 876 CB MET A 57 -4.585 1.580 1.515 1.00 0.00 C ATOM 877 CG MET A 57 -4.089 2.372 2.728 1.00 0.00 C ATOM 878 SD MET A 57 -2.823 3.600 2.314 1.00 0.00 S ATOM 879 CE MET A 57 -2.809 4.576 3.821 1.00 0.00 C ATOM 0 H MET A 57 -6.606 2.646 2.249 1.00 0.00 H new ATOM 0 HA MET A 57 -4.793 3.297 0.270 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.193 0.741 1.854 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.731 1.160 0.983 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.935 2.876 3.195 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.685 1.678 3.465 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.943 5.238 3.818 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.720 5.171 3.877 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.755 3.912 4.684 1.00 0.00 H new ATOM 889 N LYS A 58 -6.502 0.643 -0.731 1.00 0.00 N ATOM 890 CA LYS A 58 -6.895 -0.036 -1.957 1.00 0.00 C ATOM 891 C LYS A 58 -7.650 0.897 -2.880 1.00 0.00 C ATOM 892 O LYS A 58 -7.234 1.045 -4.014 1.00 0.00 O ATOM 893 CB LYS A 58 -7.672 -1.329 -1.695 1.00 0.00 C ATOM 894 CG LYS A 58 -8.591 -1.747 -2.860 1.00 0.00 C ATOM 895 CD LYS A 58 -9.431 -2.992 -2.568 1.00 0.00 C ATOM 896 CE LYS A 58 -8.596 -4.281 -2.572 1.00 0.00 C ATOM 897 NZ LYS A 58 -9.217 -5.306 -3.430 1.00 0.00 N ATOM 0 H LYS A 58 -6.856 0.215 0.124 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.976 -0.334 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.964 -2.134 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.275 -1.204 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.258 -0.919 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.980 -1.931 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.915 -2.880 -1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.223 -3.074 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.588 -4.065 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.501 -4.661 -1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.627 -6.162 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.163 -5.538 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.300 -4.942 -4.401 1.00 0.00 H new ATOM 911 N LYS A 59 -8.774 1.468 -2.453 1.00 0.00 N ATOM 912 CA LYS A 59 -9.618 2.311 -3.262 1.00 0.00 C ATOM 913 C LYS A 59 -8.739 3.285 -4.033 1.00 0.00 C ATOM 914 O LYS A 59 -8.822 3.355 -5.254 1.00 0.00 O ATOM 915 CB LYS A 59 -10.630 3.044 -2.370 1.00 0.00 C ATOM 916 CG LYS A 59 -11.887 3.389 -3.169 1.00 0.00 C ATOM 917 CD LYS A 59 -13.001 2.345 -2.967 1.00 0.00 C ATOM 918 CE LYS A 59 -14.094 2.925 -2.056 1.00 0.00 C ATOM 919 NZ LYS A 59 -15.063 1.903 -1.620 1.00 0.00 N ATOM 0 H LYS A 59 -9.124 1.346 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.184 1.713 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.893 2.419 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.182 3.955 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.251 4.371 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.638 3.453 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.428 2.063 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.588 1.439 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.630 3.379 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.621 3.719 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.826 2.357 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.465 1.428 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.582 1.202 -1.020 1.00 0.00 H new ATOM 933 N GLN A 60 -7.844 3.972 -3.322 1.00 0.00 N ATOM 934 CA GLN A 60 -6.940 4.919 -3.959 1.00 0.00 C ATOM 935 C GLN A 60 -5.997 4.213 -4.948 1.00 0.00 C ATOM 936 O GLN A 60 -5.792 4.696 -6.060 1.00 0.00 O ATOM 937 CB GLN A 60 -6.164 5.659 -2.877 1.00 0.00 C ATOM 938 CG GLN A 60 -7.095 6.488 -1.973 1.00 0.00 C ATOM 939 CD GLN A 60 -7.531 7.826 -2.557 1.00 0.00 C ATOM 940 OE1 GLN A 60 -6.965 8.319 -3.529 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.549 8.429 -1.957 1.00 0.00 N ATOM 0 H GLN A 60 -7.729 3.889 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.518 5.637 -4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.612 4.941 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.429 6.316 -3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.984 5.897 -1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.590 6.669 -1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.997 7.992 -1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.883 9.329 -2.301 1.00 0.00 H new ATOM 950 N ILE A 61 -5.405 3.083 -4.551 1.00 0.00 N ATOM 951 CA ILE A 61 -4.475 2.332 -5.389 1.00 0.00 C ATOM 952 C ILE A 61 -5.196 1.684 -6.573 1.00 0.00 C ATOM 953 O ILE A 61 -4.941 2.066 -7.711 1.00 0.00 O ATOM 954 CB ILE A 61 -3.661 1.334 -4.558 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.796 2.163 -3.594 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.767 0.492 -5.486 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.049 1.297 -2.589 1.00 0.00 C ATOM 0 H ILE A 61 -5.560 2.664 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.755 3.030 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.310 0.652 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.078 2.749 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.430 2.870 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.190 -0.216 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.390 -0.053 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.087 1.148 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.454 1.932 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.765 0.730 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.392 0.608 -3.120 1.00 0.00 H new ATOM 969 N GLU A 62 -6.082 0.710 -6.337 1.00 0.00 N ATOM 970 CA GLU A 62 -6.903 0.108 -7.369 1.00 0.00 C ATOM 971 C GLU A 62 -7.526 1.164 -8.295 1.00 0.00 C ATOM 972 O GLU A 62 -7.560 0.940 -9.503 1.00 0.00 O ATOM 973 CB GLU A 62 -7.965 -0.782 -6.694 1.00 0.00 C ATOM 974 CG GLU A 62 -7.830 -2.269 -7.044 1.00 0.00 C ATOM 975 CD GLU A 62 -8.950 -3.097 -6.428 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.118 -2.867 -6.800 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.636 -3.944 -5.563 1.00 0.00 O ATOM 0 H GLU A 62 -6.244 0.319 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.280 -0.511 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.893 -0.663 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.956 -0.437 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.841 -2.390 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.867 -2.640 -6.692 1.00 0.00 H new ATOM 984 N ALA A 63 -7.972 2.323 -7.777 1.00 0.00 N ATOM 985 CA ALA A 63 -8.528 3.371 -8.638 1.00 0.00 C ATOM 986 C ALA A 63 -7.576 3.796 -9.759 1.00 0.00 C ATOM 987 O ALA A 63 -8.042 4.164 -10.834 1.00 0.00 O ATOM 988 CB ALA A 63 -8.927 4.606 -7.833 1.00 0.00 C ATOM 0 H ALA A 63 -7.957 2.551 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.412 2.927 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.335 5.362 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.681 4.331 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.051 5.008 -7.324 1.00 0.00 H new ATOM 994 N MET A 64 -6.259 3.766 -9.525 1.00 0.00 N ATOM 995 CA MET A 64 -5.287 4.024 -10.573 1.00 0.00 C ATOM 996 C MET A 64 -5.519 3.088 -11.764 1.00 0.00 C ATOM 997 O MET A 64 -5.397 3.505 -12.914 1.00 0.00 O ATOM 998 CB MET A 64 -3.874 3.805 -10.040 1.00 0.00 C ATOM 999 CG MET A 64 -3.442 4.754 -8.922 1.00 0.00 C ATOM 1000 SD MET A 64 -3.400 6.511 -9.358 1.00 0.00 S ATOM 1001 CE MET A 64 -2.471 7.150 -7.949 1.00 0.00 C ATOM 0 H MET A 64 -5.849 3.564 -8.613 1.00 0.00 H new ATOM 0 HA MET A 64 -5.404 5.058 -10.899 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.796 2.781 -9.675 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.172 3.903 -10.868 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.119 4.624 -8.078 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.449 4.459 -8.583 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.349 8.228 -8.052 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.012 6.932 -7.028 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.490 6.676 -7.915 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.820 1.818 -11.475 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.089 0.787 -12.468 1.00 0.00 C ATOM 1013 C GLY A 65 -5.422 -0.530 -12.083 1.00 0.00 C ATOM 1014 O GLY A 65 -5.782 -1.584 -12.600 1.00 0.00 O ATOM 0 H GLY A 65 -5.884 1.475 -10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.165 0.640 -12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.725 1.112 -13.443 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.428 -0.477 -11.192 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.598 -1.618 -10.848 1.00 0.00 C ATOM 1020 C PHE A 66 -4.352 -2.544 -9.888 1.00 0.00 C ATOM 1021 O PHE A 66 -4.592 -2.136 -8.753 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.336 -1.090 -10.166 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.582 -0.055 -10.975 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -1.011 -0.390 -12.217 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.534 1.275 -10.520 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.434 0.613 -13.016 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.942 2.272 -11.310 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.429 1.946 -12.574 1.00 0.00 C ATOM 0 H PHE A 66 -4.180 0.374 -10.687 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.343 -2.183 -11.745 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.610 -0.655 -9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.671 -1.928 -9.958 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.016 -1.415 -12.556 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.955 1.530 -9.558 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.005 0.358 -13.969 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.882 3.287 -10.946 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.029 2.722 -13.209 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.715 -3.775 -10.279 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.392 -4.681 -9.369 1.00 0.00 C ATOM 1040 C PRO A 67 -4.432 -5.061 -8.240 1.00 0.00 C ATOM 1041 O PRO A 67 -3.253 -5.313 -8.499 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.796 -5.884 -10.222 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.732 -5.912 -11.319 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.404 -4.433 -11.538 1.00 0.00 C ATOM 0 HA PRO A 67 -6.272 -4.245 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.799 -6.806 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.797 -5.765 -10.636 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.852 -6.477 -11.010 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.107 -6.379 -12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.355 -4.299 -11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.994 -4.017 -12.354 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.929 -5.075 -6.995 1.00 0.00 N ATOM 1053 CA ALA A 68 -4.115 -5.338 -5.820 1.00 0.00 C ATOM 1054 C ALA A 68 -4.739 -6.402 -4.914 1.00 0.00 C ATOM 1055 O ALA A 68 -5.913 -6.336 -4.546 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.856 -4.052 -5.044 1.00 0.00 C ATOM 0 H ALA A 68 -5.912 -4.902 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.161 -5.732 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.245 -4.272 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.332 -3.341 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.805 -3.622 -4.725 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.906 -7.365 -4.525 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.227 -8.509 -3.691 1.00 0.00 C ATOM 1064 C PHE A 69 -3.690 -8.270 -2.291 1.00 0.00 C ATOM 1065 O PHE A 69 -2.656 -8.831 -1.932 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.674 -9.802 -4.293 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.289 -10.178 -5.626 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.488 -10.917 -5.659 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -3.694 -9.757 -6.831 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.070 -11.263 -6.891 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -4.283 -10.094 -8.060 1.00 0.00 C ATOM 1072 CZ PHE A 69 -5.466 -10.853 -8.092 1.00 0.00 C ATOM 0 H PHE A 69 -2.925 -7.362 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.310 -8.625 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.596 -9.699 -4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.837 -10.617 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.961 -11.218 -4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.785 -9.175 -6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.980 -11.843 -6.915 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.826 -9.769 -8.983 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.910 -11.121 -9.039 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.394 -7.444 -1.512 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.130 -7.249 -0.092 1.00 0.00 C ATOM 1084 C VAL A 70 -4.337 -8.554 0.679 1.00 0.00 C ATOM 1085 O VAL A 70 -5.471 -9.004 0.829 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.883 -6.037 0.469 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.395 -6.190 0.399 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.438 -5.772 1.913 1.00 0.00 C ATOM 0 H VAL A 70 -5.174 -6.886 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.079 -6.994 0.044 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.630 -5.183 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.870 -5.300 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.700 -6.316 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.699 -7.064 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.976 -4.910 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.655 -6.646 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.367 -5.571 1.933 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.252 -9.189 1.140 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.348 -10.425 1.902 1.00 0.00 C ATOM 1100 C LYS A 71 -2.138 -10.667 2.814 1.00 0.00 C ATOM 1101 O LYS A 71 -1.533 -11.734 2.774 1.00 0.00 O ATOM 1102 CB LYS A 71 -3.663 -11.591 0.967 1.00 0.00 C ATOM 1103 CG LYS A 71 -2.584 -11.766 -0.087 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.030 -12.787 -1.139 1.00 0.00 C ATOM 1105 CE LYS A 71 -1.897 -13.090 -2.127 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.342 -14.004 -3.201 1.00 0.00 N ATOM 0 H LYS A 71 -2.298 -8.860 0.994 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.182 -10.333 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.758 -12.509 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.624 -11.420 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.374 -10.809 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.658 -12.098 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.344 -13.708 -0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.895 -12.403 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.538 -12.159 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.058 -13.536 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.551 -14.187 -3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.662 -14.901 -2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.127 -13.567 -3.725 1.00 0.00 H new ATOM 1120 N LYS A 72 -1.827 -9.709 3.689 1.00 0.00 N ATOM 1121 CA LYS A 72 -0.816 -9.830 4.733 1.00 0.00 C ATOM 1122 C LYS A 72 -1.157 -8.811 5.815 1.00 0.00 C ATOM 1123 O LYS A 72 -1.832 -7.822 5.529 1.00 0.00 O ATOM 1124 CB LYS A 72 0.581 -9.551 4.161 1.00 0.00 C ATOM 1125 CG LYS A 72 1.369 -10.812 3.763 1.00 0.00 C ATOM 1126 CD LYS A 72 2.344 -11.289 4.850 1.00 0.00 C ATOM 1127 CE LYS A 72 3.645 -10.472 4.838 1.00 0.00 C ATOM 1128 NZ LYS A 72 4.631 -10.976 5.816 1.00 0.00 N ATOM 0 H LYS A 72 -2.289 -8.799 3.688 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.809 -10.840 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.480 -8.909 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.158 -8.995 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.667 -11.614 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.926 -10.610 2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.870 -11.205 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.574 -12.343 4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.080 -10.500 3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.419 -9.429 5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.492 -10.394 5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.228 -10.926 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.869 -11.963 5.592 1.00 0.00 H new ATOM 1142 N ILE A 73 -0.672 -9.053 7.035 1.00 0.00 N ATOM 1143 CA ILE A 73 -0.922 -8.227 8.206 1.00 0.00 C ATOM 1144 C ILE A 73 0.327 -8.298 9.095 1.00 0.00 C ATOM 1145 O ILE A 73 0.280 -8.689 10.259 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.234 -8.722 8.864 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -2.740 -7.834 10.013 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.174 -10.189 9.327 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.294 -6.501 9.501 1.00 0.00 C ATOM 0 H ILE A 73 -0.076 -9.856 7.236 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.079 -7.172 7.981 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.959 -8.649 8.053 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.517 -8.362 10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.925 -7.644 10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.126 -10.467 9.778 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.976 -10.833 8.470 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.377 -10.307 10.061 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.641 -5.903 10.344 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.510 -5.960 8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.126 -6.689 8.823 1.00 0.00 H new