USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 82 ASN : amide:sc= -0.021 X(o=-0.07,f=-0.22) USER MOD Set 1.2: A 86 HIS : no HD1:sc= -0.0486 X(o=-0.07,f=-0.39) USER MOD Set 2.1: A 7 ASN :FLIP amide:sc= -0.315 F(o=-0.9,f=-0.32) USER MOD Set 2.2: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.99) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.39) USER MOD Single : A 6 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.14 (180deg=-0.439) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-2.9!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 0:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-9e-05) USER MOD Single : A 47 MET CE :methyl -137:sc= -0.392 (180deg=-1.29) USER MOD Single : A 50 SER OG : rot 86:sc= 0.0243 USER MOD Single : A 51 THR OG1 : rot 48:sc= 0.137 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0346 (180deg=-0.264) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= -0.09 (180deg=-0.297) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 80:sc= -2.03! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl -145:sc= -0.227 (180deg=-4.32!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.08! C(o=-2.1!,f=-3.1!) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -2.19! USER MOD Single : A 91 MET CE :methyl -139:sc= 0 (180deg=-0.777) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.586 (180deg=-0.609) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.608 12.283 -0.102 1.00 0.00 N ATOM 2 CA GLU A 1 -15.807 11.286 -0.870 1.00 0.00 C ATOM 3 C GLU A 1 -14.550 10.875 -0.106 1.00 0.00 C ATOM 4 O GLU A 1 -13.632 11.678 0.066 1.00 0.00 O ATOM 5 CB GLU A 1 -15.411 11.899 -2.218 1.00 0.00 C ATOM 6 CG GLU A 1 -16.562 12.020 -3.206 1.00 0.00 C ATOM 7 CD GLU A 1 -16.607 13.373 -3.893 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.547 13.835 -4.372 1.00 0.00 O ATOM 9 OE2 GLU A 1 -17.701 13.970 -3.953 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.455 12.542 -0.647 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.895 11.870 0.808 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.033 13.133 0.069 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.415 10.394 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.989 12.889 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.625 11.291 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.472 11.238 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -17.503 11.852 -2.683 1.00 0.00 H new ATOM 18 N GLN A 2 -14.507 9.620 0.342 1.00 0.00 N ATOM 19 CA GLN A 2 -13.348 9.114 1.076 1.00 0.00 C ATOM 20 C GLN A 2 -12.269 8.610 0.116 1.00 0.00 C ATOM 21 O GLN A 2 -11.075 8.749 0.388 1.00 0.00 O ATOM 22 CB GLN A 2 -13.759 7.997 2.042 1.00 0.00 C ATOM 23 CG GLN A 2 -14.089 8.487 3.446 1.00 0.00 C ATOM 24 CD GLN A 2 -12.913 9.164 4.131 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.758 8.963 3.755 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.202 9.974 5.146 1.00 0.00 N ATOM 0 H GLN A 2 -15.256 8.940 0.211 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.936 9.940 1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.627 7.479 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.952 7.267 2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.924 9.186 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.418 7.642 4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.173 10.114 5.427 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.453 10.455 5.644 1.00 0.00 H new ATOM 35 N LEU A 3 -12.694 8.029 -1.012 1.00 0.00 N ATOM 36 CA LEU A 3 -11.762 7.510 -2.015 1.00 0.00 C ATOM 37 C LEU A 3 -10.809 8.603 -2.505 1.00 0.00 C ATOM 38 O LEU A 3 -9.634 8.337 -2.768 1.00 0.00 O ATOM 39 CB LEU A 3 -12.528 6.916 -3.204 1.00 0.00 C ATOM 40 CG LEU A 3 -11.866 5.701 -3.866 1.00 0.00 C ATOM 41 CD1 LEU A 3 -12.777 4.486 -3.794 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.505 6.008 -5.312 1.00 0.00 C ATOM 0 H LEU A 3 -13.678 7.907 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.171 6.725 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.524 6.628 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.658 7.694 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.949 5.476 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.288 3.636 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.985 4.248 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.712 4.702 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.037 5.133 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.408 6.263 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.811 6.848 -5.343 1.00 0.00 H new ATOM 54 N LYS A 4 -11.320 9.831 -2.624 1.00 0.00 N ATOM 55 CA LYS A 4 -10.512 10.962 -3.081 1.00 0.00 C ATOM 56 C LYS A 4 -9.323 11.195 -2.151 1.00 0.00 C ATOM 57 O LYS A 4 -8.192 11.358 -2.611 1.00 0.00 O ATOM 58 CB LYS A 4 -11.365 12.233 -3.164 1.00 0.00 C ATOM 59 CG LYS A 4 -10.914 13.204 -4.246 1.00 0.00 C ATOM 60 CD LYS A 4 -11.227 14.647 -3.874 1.00 0.00 C ATOM 61 CE LYS A 4 -12.503 15.138 -4.545 1.00 0.00 C ATOM 62 NZ LYS A 4 -12.357 16.523 -5.080 1.00 0.00 N ATOM 0 H LYS A 4 -12.289 10.066 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.134 10.723 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.402 11.952 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.340 12.740 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.842 13.095 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.406 12.956 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.330 14.730 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.394 15.287 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.768 14.462 -5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.323 15.111 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.248 16.818 -5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.129 17.174 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.592 16.544 -5.784 1.00 0.00 H new ATOM 76 N HIS A 5 -9.583 11.200 -0.842 1.00 0.00 N ATOM 77 CA HIS A 5 -8.528 11.403 0.149 1.00 0.00 C ATOM 78 C HIS A 5 -7.495 10.279 0.075 1.00 0.00 C ATOM 79 O HIS A 5 -6.293 10.522 0.190 1.00 0.00 O ATOM 80 CB HIS A 5 -9.118 11.471 1.562 1.00 0.00 C ATOM 81 CG HIS A 5 -9.342 12.868 2.057 1.00 0.00 C ATOM 82 ND1 HIS A 5 -8.471 13.907 1.804 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.347 13.394 2.798 1.00 0.00 C ATOM 84 CE1 HIS A 5 -8.929 15.010 2.368 1.00 0.00 C ATOM 85 NE2 HIS A 5 -10.066 14.726 2.977 1.00 0.00 N ATOM 0 H HIS A 5 -10.513 11.066 -0.446 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.036 12.350 -0.074 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -10.066 10.934 1.576 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.449 10.954 2.250 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.208 12.864 3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.454 15.980 2.337 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.642 15.389 3.496 1.00 0.00 H new ATOM 94 N CYS A 6 -7.975 9.048 -0.126 1.00 0.00 N ATOM 95 CA CYS A 6 -7.096 7.884 -0.224 1.00 0.00 C ATOM 96 C CYS A 6 -6.181 7.996 -1.441 1.00 0.00 C ATOM 97 O CYS A 6 -4.987 7.705 -1.356 1.00 0.00 O ATOM 98 CB CYS A 6 -7.918 6.593 -0.309 1.00 0.00 C ATOM 99 SG CYS A 6 -6.997 5.102 0.137 1.00 0.00 S ATOM 0 H CYS A 6 -8.968 8.834 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.480 7.853 0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.784 6.682 0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.298 6.483 -1.325 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.775 4.065 0.036 1.00 0.00 H new ATOM 105 N ASN A 7 -6.749 8.422 -2.572 1.00 0.00 N ATOM 106 CA ASN A 7 -5.985 8.577 -3.810 1.00 0.00 C ATOM 107 C ASN A 7 -4.806 9.531 -3.614 1.00 0.00 C ATOM 108 O ASN A 7 -3.737 9.334 -4.194 1.00 0.00 O ATOM 109 CB ASN A 7 -6.886 9.091 -4.937 1.00 0.00 C ATOM 110 CG ASN A 7 -7.355 7.977 -5.855 1.00 0.00 C ATOM 111 OD1 ASN A 7 -8.666 7.770 -5.920 1.00 0.00 O flip ATOM 112 ND2 ASN A 7 -6.546 7.308 -6.500 1.00 0.00 N flip ATOM 0 H ASN A 7 -7.736 8.666 -2.655 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.595 7.597 -4.084 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.753 9.592 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.345 9.836 -5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.547 7.500 -6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.875 6.562 -7.113 1.00 0.00 H new ATOM 119 N VAL A 8 -5.007 10.561 -2.792 1.00 0.00 N ATOM 120 CA VAL A 8 -3.958 11.539 -2.521 1.00 0.00 C ATOM 121 C VAL A 8 -2.781 10.892 -1.792 1.00 0.00 C ATOM 122 O VAL A 8 -1.622 11.193 -2.084 1.00 0.00 O ATOM 123 CB VAL A 8 -4.485 12.728 -1.687 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.409 13.795 -1.535 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.741 13.316 -2.319 1.00 0.00 C ATOM 0 H VAL A 8 -5.885 10.738 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.621 11.915 -3.487 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.745 12.360 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.799 14.624 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.542 13.368 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.115 14.158 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.095 14.152 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.512 13.667 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.516 12.551 -2.369 1.00 0.00 H new ATOM 135 N ILE A 9 -3.084 9.996 -0.852 1.00 0.00 N ATOM 136 CA ILE A 9 -2.047 9.303 -0.092 1.00 0.00 C ATOM 137 C ILE A 9 -1.174 8.447 -1.013 1.00 0.00 C ATOM 138 O ILE A 9 0.043 8.378 -0.837 1.00 0.00 O ATOM 139 CB ILE A 9 -2.651 8.412 1.018 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.651 9.210 1.865 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.548 7.837 1.898 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.322 8.392 2.948 1.00 0.00 C ATOM 0 H ILE A 9 -4.037 9.735 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.431 10.070 0.377 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.183 7.586 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.133 10.051 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.416 9.627 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.990 7.212 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.873 7.236 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.991 8.651 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.014 9.023 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.869 7.566 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.566 7.997 3.627 1.00 0.00 H new ATOM 154 N LEU A 10 -1.801 7.807 -2.005 1.00 0.00 N ATOM 155 CA LEU A 10 -1.073 6.970 -2.958 1.00 0.00 C ATOM 156 C LEU A 10 -0.056 7.801 -3.741 1.00 0.00 C ATOM 157 O LEU A 10 1.075 7.364 -3.962 1.00 0.00 O ATOM 158 CB LEU A 10 -2.045 6.286 -3.925 1.00 0.00 C ATOM 159 CG LEU A 10 -1.710 4.830 -4.265 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.286 3.892 -3.216 1.00 0.00 C ATOM 161 CD2 LEU A 10 -2.231 4.467 -5.651 1.00 0.00 C ATOM 0 H LEU A 10 -2.807 7.853 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.539 6.204 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.046 6.321 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.076 6.861 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.626 4.720 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.038 2.862 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.864 4.134 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.369 4.007 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.983 3.429 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.313 4.595 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.770 5.117 -6.395 1.00 0.00 H new ATOM 173 N LYS A 11 -0.468 9.003 -4.154 1.00 0.00 N ATOM 174 CA LYS A 11 0.402 9.902 -4.908 1.00 0.00 C ATOM 175 C LYS A 11 1.657 10.264 -4.112 1.00 0.00 C ATOM 176 O LYS A 11 2.728 10.444 -4.687 1.00 0.00 O ATOM 177 CB LYS A 11 -0.356 11.176 -5.291 1.00 0.00 C ATOM 178 CG LYS A 11 -1.163 11.041 -6.574 1.00 0.00 C ATOM 179 CD LYS A 11 -1.492 12.399 -7.178 1.00 0.00 C ATOM 180 CE LYS A 11 -2.733 13.011 -6.540 1.00 0.00 C ATOM 181 NZ LYS A 11 -2.410 13.772 -5.299 1.00 0.00 N ATOM 0 H LYS A 11 -1.401 9.374 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 11 0.713 9.380 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.027 11.449 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.357 11.993 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.602 10.448 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.087 10.501 -6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.645 13.072 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.649 12.292 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.218 13.675 -7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.446 12.221 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.197 14.411 -5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.262 13.107 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.545 14.329 -5.449 1.00 0.00 H new ATOM 195 N GLU A 12 1.522 10.369 -2.787 1.00 0.00 N ATOM 196 CA GLU A 12 2.657 10.708 -1.929 1.00 0.00 C ATOM 197 C GLU A 12 3.735 9.627 -1.988 1.00 0.00 C ATOM 198 O GLU A 12 4.919 9.932 -2.111 1.00 0.00 O ATOM 199 CB GLU A 12 2.201 10.900 -0.480 1.00 0.00 C ATOM 200 CG GLU A 12 3.058 11.887 0.299 1.00 0.00 C ATOM 201 CD GLU A 12 2.231 12.926 1.029 1.00 0.00 C ATOM 202 OE1 GLU A 12 1.881 13.949 0.407 1.00 0.00 O ATOM 203 OE2 GLU A 12 1.931 12.715 2.222 1.00 0.00 O ATOM 0 H GLU A 12 0.643 10.225 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 12 3.080 11.643 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.167 11.246 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.217 9.936 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.669 11.343 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.742 12.388 -0.386 1.00 0.00 H new ATOM 210 N LEU A 13 3.317 8.365 -1.898 1.00 0.00 N ATOM 211 CA LEU A 13 4.256 7.243 -1.939 1.00 0.00 C ATOM 212 C LEU A 13 4.803 7.027 -3.352 1.00 0.00 C ATOM 213 O LEU A 13 5.963 6.646 -3.523 1.00 0.00 O ATOM 214 CB LEU A 13 3.580 5.961 -1.440 1.00 0.00 C ATOM 215 CG LEU A 13 2.873 6.076 -0.086 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.778 5.027 0.035 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.876 5.942 1.053 1.00 0.00 C ATOM 0 H LEU A 13 2.339 8.094 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 13 5.092 7.486 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.852 5.641 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.333 5.176 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 13 2.411 7.061 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.287 5.124 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.046 5.172 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.216 4.033 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.356 6.026 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.368 4.971 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.622 6.733 0.975 1.00 0.00 H new ATOM 229 N LEU A 14 3.962 7.269 -4.359 1.00 0.00 N ATOM 230 CA LEU A 14 4.355 7.098 -5.755 1.00 0.00 C ATOM 231 C LEU A 14 5.217 8.264 -6.256 1.00 0.00 C ATOM 232 O LEU A 14 6.054 8.083 -7.142 1.00 0.00 O ATOM 233 CB LEU A 14 3.109 6.963 -6.634 1.00 0.00 C ATOM 234 CG LEU A 14 2.379 5.620 -6.537 1.00 0.00 C ATOM 235 CD1 LEU A 14 1.034 5.689 -7.247 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.234 4.508 -7.122 1.00 0.00 C ATOM 0 H LEU A 14 3.001 7.585 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 14 4.955 6.190 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.411 7.757 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.398 7.126 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 14 2.200 5.401 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.531 4.726 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.418 6.460 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.190 5.931 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.701 3.560 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.443 4.723 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.172 4.442 -6.571 1.00 0.00 H new ATOM 248 N SER A 15 5.000 9.461 -5.702 1.00 0.00 N ATOM 249 CA SER A 15 5.749 10.652 -6.113 1.00 0.00 C ATOM 250 C SER A 15 7.165 10.659 -5.532 1.00 0.00 C ATOM 251 O SER A 15 8.134 10.384 -6.242 1.00 0.00 O ATOM 252 CB SER A 15 4.999 11.924 -5.691 1.00 0.00 C ATOM 253 OG SER A 15 5.814 13.078 -5.828 1.00 0.00 O ATOM 0 H SER A 15 4.312 9.631 -4.968 1.00 0.00 H new ATOM 0 HA SER A 15 5.835 10.628 -7.199 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.101 12.037 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.673 11.829 -4.655 1.00 0.00 H new ATOM 0 HG SER A 15 5.307 13.871 -5.553 1.00 0.00 H new ATOM 259 N LYS A 16 7.281 10.987 -4.243 1.00 0.00 N ATOM 260 CA LYS A 16 8.581 11.040 -3.578 1.00 0.00 C ATOM 261 C LYS A 16 8.436 10.851 -2.067 1.00 0.00 C ATOM 262 O LYS A 16 7.330 10.681 -1.559 1.00 0.00 O ATOM 263 CB LYS A 16 9.280 12.373 -3.875 1.00 0.00 C ATOM 264 CG LYS A 16 8.512 13.595 -3.388 1.00 0.00 C ATOM 265 CD LYS A 16 9.421 14.809 -3.254 1.00 0.00 C ATOM 266 CE LYS A 16 8.959 15.957 -4.144 1.00 0.00 C ATOM 267 NZ LYS A 16 9.488 17.276 -3.688 1.00 0.00 N ATOM 0 H LYS A 16 6.491 11.219 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 16 9.190 10.224 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.266 12.367 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.436 12.459 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.704 13.819 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.051 13.376 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.439 15.138 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.441 14.531 -3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.283 15.773 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.870 15.989 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.147 18.025 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.158 17.466 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.528 17.257 -3.702 1.00 0.00 H new ATOM 281 N LYS A 17 9.573 10.869 -1.361 1.00 0.00 N ATOM 282 CA LYS A 17 9.617 10.694 0.092 1.00 0.00 C ATOM 283 C LYS A 17 9.607 9.211 0.467 1.00 0.00 C ATOM 284 O LYS A 17 10.256 8.805 1.432 1.00 0.00 O ATOM 285 CB LYS A 17 8.460 11.420 0.791 1.00 0.00 C ATOM 286 CG LYS A 17 8.150 12.802 0.227 1.00 0.00 C ATOM 287 CD LYS A 17 8.226 13.871 1.304 1.00 0.00 C ATOM 288 CE LYS A 17 9.578 14.566 1.304 1.00 0.00 C ATOM 289 NZ LYS A 17 9.565 15.810 2.123 1.00 0.00 N ATOM 0 H LYS A 17 10.491 11.006 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 17 10.551 11.139 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.564 10.803 0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.696 11.518 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.854 13.037 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.154 12.801 -0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.438 14.607 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.048 13.419 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.336 13.885 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.861 14.809 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.506 16.253 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.860 16.471 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.320 15.576 3.106 1.00 0.00 H new ATOM 303 N HIS A 18 8.873 8.408 -0.307 1.00 0.00 N ATOM 304 CA HIS A 18 8.780 6.968 -0.066 1.00 0.00 C ATOM 305 C HIS A 18 8.888 6.175 -1.371 1.00 0.00 C ATOM 306 O HIS A 18 8.466 5.017 -1.438 1.00 0.00 O ATOM 307 CB HIS A 18 7.467 6.634 0.644 1.00 0.00 C ATOM 308 CG HIS A 18 7.319 7.316 1.966 1.00 0.00 C ATOM 309 ND1 HIS A 18 8.256 7.215 2.972 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.342 8.122 2.442 1.00 0.00 C ATOM 311 CE1 HIS A 18 7.860 7.928 4.011 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.703 8.489 3.714 1.00 0.00 N ATOM 0 H HIS A 18 8.333 8.733 -1.109 1.00 0.00 H new ATOM 0 HA HIS A 18 9.616 6.682 0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.633 6.917 0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.405 5.556 0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.446 8.421 1.919 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.392 8.034 4.945 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.164 9.097 4.330 1.00 0.00 H new ATOM 321 N ALA A 19 9.468 6.795 -2.402 1.00 0.00 N ATOM 322 CA ALA A 19 9.642 6.138 -3.694 1.00 0.00 C ATOM 323 C ALA A 19 10.648 4.992 -3.591 1.00 0.00 C ATOM 324 O ALA A 19 10.550 4.007 -4.324 1.00 0.00 O ATOM 325 CB ALA A 19 10.096 7.139 -4.747 1.00 0.00 C ATOM 0 H ALA A 19 9.824 7.750 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 19 8.678 5.726 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.220 6.630 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.348 7.925 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.046 7.580 -4.444 1.00 0.00 H new ATOM 331 N ALA A 20 11.613 5.128 -2.673 1.00 0.00 N ATOM 332 CA ALA A 20 12.640 4.104 -2.468 1.00 0.00 C ATOM 333 C ALA A 20 12.022 2.747 -2.134 1.00 0.00 C ATOM 334 O ALA A 20 12.544 1.708 -2.539 1.00 0.00 O ATOM 335 CB ALA A 20 13.611 4.531 -1.376 1.00 0.00 C ATOM 0 H ALA A 20 11.702 5.939 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 20 13.190 3.996 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.367 3.758 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.095 5.464 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.067 4.678 -0.443 1.00 0.00 H new ATOM 341 N TYR A 21 10.904 2.761 -1.407 1.00 0.00 N ATOM 342 CA TYR A 21 10.210 1.524 -1.041 1.00 0.00 C ATOM 343 C TYR A 21 9.034 1.250 -1.992 1.00 0.00 C ATOM 344 O TYR A 21 8.372 0.213 -1.889 1.00 0.00 O ATOM 345 CB TYR A 21 9.702 1.592 0.406 1.00 0.00 C ATOM 346 CG TYR A 21 10.576 2.400 1.342 1.00 0.00 C ATOM 347 CD1 TYR A 21 11.940 2.153 1.442 1.00 0.00 C ATOM 348 CD2 TYR A 21 10.033 3.407 2.129 1.00 0.00 C ATOM 349 CE1 TYR A 21 12.736 2.885 2.299 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.823 4.145 2.988 1.00 0.00 C ATOM 351 CZ TYR A 21 12.173 3.880 3.070 1.00 0.00 C ATOM 352 OH TYR A 21 12.963 4.613 3.925 1.00 0.00 O ATOM 0 H TYR A 21 10.460 3.612 -1.061 1.00 0.00 H new ATOM 0 HA TYR A 21 10.926 0.707 -1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.699 2.020 0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.616 0.578 0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.384 1.375 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.975 3.616 2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.794 2.680 2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.385 4.926 3.592 1.00 0.00 H new ATOM 0 HH TYR A 21 12.412 5.274 4.394 1.00 0.00 H new ATOM 362 N ALA A 22 8.780 2.184 -2.919 1.00 0.00 N ATOM 363 CA ALA A 22 7.688 2.047 -3.880 1.00 0.00 C ATOM 364 C ALA A 22 8.100 1.228 -5.102 1.00 0.00 C ATOM 365 O ALA A 22 7.357 0.348 -5.533 1.00 0.00 O ATOM 366 CB ALA A 22 7.194 3.419 -4.316 1.00 0.00 C ATOM 0 H ALA A 22 9.320 3.043 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 22 6.881 1.512 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.380 3.302 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.836 3.970 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.012 3.969 -4.782 1.00 0.00 H new ATOM 372 N TRP A 23 9.276 1.524 -5.668 1.00 0.00 N ATOM 373 CA TRP A 23 9.751 0.803 -6.852 1.00 0.00 C ATOM 374 C TRP A 23 9.974 -0.693 -6.577 1.00 0.00 C ATOM 375 O TRP A 23 9.716 -1.518 -7.457 1.00 0.00 O ATOM 376 CB TRP A 23 11.026 1.441 -7.430 1.00 0.00 C ATOM 377 CG TRP A 23 12.213 1.406 -6.516 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.652 2.412 -5.707 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.119 0.313 -6.327 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.769 2.011 -5.020 1.00 0.00 N ATOM 381 CE2 TRP A 23 14.078 0.726 -5.383 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.211 -0.976 -6.861 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.114 -0.104 -4.962 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.239 -1.799 -6.442 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.180 -1.360 -5.502 1.00 0.00 C ATOM 0 H TRP A 23 9.909 2.249 -5.330 1.00 0.00 H new ATOM 0 HA TRP A 23 8.959 0.884 -7.597 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.283 0.930 -8.358 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.813 2.479 -7.687 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.188 3.383 -5.620 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.286 2.577 -4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.491 -1.322 -7.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.839 0.231 -4.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.318 -2.797 -6.846 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.974 -2.026 -5.197 1.00 0.00 H new ATOM 396 N PRO A 24 10.442 -1.086 -5.365 1.00 0.00 N ATOM 397 CA PRO A 24 10.668 -2.497 -5.037 1.00 0.00 C ATOM 398 C PRO A 24 9.356 -3.262 -4.904 1.00 0.00 C ATOM 399 O PRO A 24 9.204 -4.349 -5.463 1.00 0.00 O ATOM 400 CB PRO A 24 11.406 -2.465 -3.690 1.00 0.00 C ATOM 401 CG PRO A 24 11.769 -1.038 -3.457 1.00 0.00 C ATOM 402 CD PRO A 24 10.776 -0.219 -4.227 1.00 0.00 C ATOM 0 HA PRO A 24 11.232 -3.005 -5.819 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.772 -2.843 -2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.295 -3.095 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.732 -0.796 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.785 -0.835 -3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.897 0.017 -3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.202 0.729 -4.554 1.00 0.00 H new ATOM 410 N PHE A 25 8.406 -2.682 -4.165 1.00 0.00 N ATOM 411 CA PHE A 25 7.101 -3.309 -3.965 1.00 0.00 C ATOM 412 C PHE A 25 6.160 -3.062 -5.155 1.00 0.00 C ATOM 413 O PHE A 25 5.038 -3.571 -5.177 1.00 0.00 O ATOM 414 CB PHE A 25 6.460 -2.793 -2.672 1.00 0.00 C ATOM 415 CG PHE A 25 7.076 -3.365 -1.423 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.248 -2.834 -0.903 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.483 -4.434 -0.770 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.814 -3.359 0.243 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.046 -4.963 0.377 1.00 0.00 C ATOM 420 CZ PHE A 25 8.212 -4.424 0.884 1.00 0.00 C ATOM 0 H PHE A 25 8.518 -1.782 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 25 7.261 -4.384 -3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.544 -1.707 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.396 -3.031 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.723 -2.001 -1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.571 -4.859 -1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.727 -2.937 0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.574 -5.797 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.653 -4.835 1.780 1.00 0.00 H new ATOM 430 N TYR A 26 6.620 -2.284 -6.143 1.00 0.00 N ATOM 431 CA TYR A 26 5.818 -1.979 -7.328 1.00 0.00 C ATOM 432 C TYR A 26 5.612 -3.225 -8.188 1.00 0.00 C ATOM 433 O TYR A 26 4.479 -3.580 -8.517 1.00 0.00 O ATOM 434 CB TYR A 26 6.497 -0.886 -8.160 1.00 0.00 C ATOM 435 CG TYR A 26 5.545 0.156 -8.707 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.500 -0.198 -9.554 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.699 1.497 -8.381 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.637 0.756 -10.058 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.841 2.456 -8.882 1.00 0.00 C ATOM 440 CZ TYR A 26 3.811 2.082 -9.720 1.00 0.00 C ATOM 441 OH TYR A 26 2.955 3.036 -10.223 1.00 0.00 O ATOM 0 H TYR A 26 7.545 -1.855 -6.142 1.00 0.00 H new ATOM 0 HA TYR A 26 4.843 -1.626 -6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.247 -0.390 -7.545 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.025 -1.353 -8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.361 -1.235 -9.822 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.503 1.795 -7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.830 0.465 -10.714 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.976 3.495 -8.619 1.00 0.00 H new ATOM 0 HH TYR A 26 2.288 2.606 -10.798 1.00 0.00 H new ATOM 451 N LYS A 27 6.719 -3.879 -8.550 1.00 0.00 N ATOM 452 CA LYS A 27 6.671 -5.087 -9.376 1.00 0.00 C ATOM 453 C LYS A 27 5.860 -6.193 -8.697 1.00 0.00 C ATOM 454 O LYS A 27 5.841 -6.296 -7.468 1.00 0.00 O ATOM 455 CB LYS A 27 8.089 -5.590 -9.681 1.00 0.00 C ATOM 456 CG LYS A 27 8.905 -5.932 -8.442 1.00 0.00 C ATOM 457 CD LYS A 27 9.703 -7.212 -8.635 1.00 0.00 C ATOM 458 CE LYS A 27 11.137 -6.921 -9.055 1.00 0.00 C ATOM 459 NZ LYS A 27 12.038 -8.085 -8.818 1.00 0.00 N ATOM 0 H LYS A 27 7.660 -3.591 -8.283 1.00 0.00 H new ATOM 0 HA LYS A 27 6.177 -4.826 -10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.021 -6.475 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.618 -4.828 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.584 -5.110 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.239 -6.043 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.704 -7.784 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.221 -7.832 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.158 -6.656 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.508 -6.058 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.004 -7.843 -9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.039 -8.323 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.700 -8.902 -9.365 1.00 0.00 H new ATOM 473 N PRO A 28 5.180 -7.040 -9.496 1.00 0.00 N ATOM 474 CA PRO A 28 4.366 -8.144 -8.973 1.00 0.00 C ATOM 475 C PRO A 28 5.218 -9.295 -8.439 1.00 0.00 C ATOM 476 O PRO A 28 6.450 -9.225 -8.445 1.00 0.00 O ATOM 477 CB PRO A 28 3.562 -8.592 -10.195 1.00 0.00 C ATOM 478 CG PRO A 28 4.425 -8.246 -11.358 1.00 0.00 C ATOM 479 CD PRO A 28 5.152 -6.986 -10.973 1.00 0.00 C ATOM 0 HA PRO A 28 3.751 -7.836 -8.128 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.352 -9.661 -10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.601 -8.080 -10.247 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.127 -9.051 -11.576 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.827 -8.093 -12.256 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.158 -6.959 -11.393 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.633 -6.098 -11.332 1.00 0.00 H new ATOM 487 N VAL A 29 4.555 -10.355 -7.980 1.00 0.00 N ATOM 488 CA VAL A 29 5.250 -11.519 -7.448 1.00 0.00 C ATOM 489 C VAL A 29 4.919 -12.768 -8.264 1.00 0.00 C ATOM 490 O VAL A 29 3.905 -13.429 -8.025 1.00 0.00 O ATOM 491 CB VAL A 29 4.903 -11.765 -5.965 1.00 0.00 C ATOM 492 CG1 VAL A 29 5.762 -12.884 -5.395 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.072 -10.486 -5.151 1.00 0.00 C ATOM 0 H VAL A 29 3.538 -10.429 -7.967 1.00 0.00 H new ATOM 0 HA VAL A 29 6.318 -11.313 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 29 3.858 -12.070 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.504 -13.044 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.584 -13.801 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.814 -12.610 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.822 -10.683 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.105 -10.146 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.410 -9.715 -5.544 1.00 0.00 H new ATOM 503 N ASP A 30 5.781 -13.080 -9.229 1.00 0.00 N ATOM 504 CA ASP A 30 5.589 -14.245 -10.088 1.00 0.00 C ATOM 505 C ASP A 30 6.391 -15.436 -9.569 1.00 0.00 C ATOM 506 O ASP A 30 7.544 -15.635 -9.954 1.00 0.00 O ATOM 507 CB ASP A 30 6.003 -13.920 -11.525 1.00 0.00 C ATOM 508 CG ASP A 30 5.086 -12.907 -12.183 1.00 0.00 C ATOM 509 OD1 ASP A 30 5.101 -11.730 -11.764 1.00 0.00 O ATOM 510 OD2 ASP A 30 4.354 -13.290 -13.120 1.00 0.00 O ATOM 0 H ASP A 30 6.621 -12.540 -9.436 1.00 0.00 H new ATOM 0 HA ASP A 30 4.531 -14.508 -10.076 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.023 -13.536 -11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.007 -14.837 -12.114 1.00 0.00 H new ATOM 515 N ALA A 31 5.771 -16.225 -8.692 1.00 0.00 N ATOM 516 CA ALA A 31 6.424 -17.401 -8.116 1.00 0.00 C ATOM 517 C ALA A 31 6.824 -18.415 -9.193 1.00 0.00 C ATOM 518 O ALA A 31 7.772 -19.178 -9.007 1.00 0.00 O ATOM 519 CB ALA A 31 5.521 -18.059 -7.083 1.00 0.00 C ATOM 0 H ALA A 31 4.817 -16.071 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 31 7.337 -17.061 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.022 -18.932 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.303 -17.349 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.590 -18.368 -7.558 1.00 0.00 H new ATOM 525 N SER A 32 6.105 -18.417 -10.320 1.00 0.00 N ATOM 526 CA SER A 32 6.407 -19.337 -11.418 1.00 0.00 C ATOM 527 C SER A 32 7.528 -18.784 -12.301 1.00 0.00 C ATOM 528 O SER A 32 8.367 -19.537 -12.796 1.00 0.00 O ATOM 529 CB SER A 32 5.158 -19.597 -12.267 1.00 0.00 C ATOM 530 OG SER A 32 5.076 -20.962 -12.639 1.00 0.00 O ATOM 0 H SER A 32 5.315 -17.796 -10.494 1.00 0.00 H new ATOM 0 HA SER A 32 6.739 -20.279 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.267 -19.314 -11.707 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.184 -18.973 -13.160 1.00 0.00 H new ATOM 0 HG SER A 32 4.271 -21.106 -13.179 1.00 0.00 H new ATOM 536 N ALA A 33 7.535 -17.462 -12.493 1.00 0.00 N ATOM 537 CA ALA A 33 8.552 -16.806 -13.313 1.00 0.00 C ATOM 538 C ALA A 33 9.869 -16.649 -12.552 1.00 0.00 C ATOM 539 O ALA A 33 10.947 -16.774 -13.134 1.00 0.00 O ATOM 540 CB ALA A 33 8.052 -15.448 -13.792 1.00 0.00 C ATOM 0 H ALA A 33 6.846 -16.826 -12.091 1.00 0.00 H new ATOM 0 HA ALA A 33 8.741 -17.440 -14.179 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.820 -14.972 -14.401 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.148 -15.582 -14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.829 -14.818 -12.931 1.00 0.00 H new ATOM 546 N LEU A 34 9.777 -16.368 -11.253 1.00 0.00 N ATOM 547 CA LEU A 34 10.966 -16.189 -10.421 1.00 0.00 C ATOM 548 C LEU A 34 11.420 -17.507 -9.787 1.00 0.00 C ATOM 549 O LEU A 34 12.617 -17.726 -9.597 1.00 0.00 O ATOM 550 CB LEU A 34 10.700 -15.152 -9.325 1.00 0.00 C ATOM 551 CG LEU A 34 10.996 -13.700 -9.712 1.00 0.00 C ATOM 552 CD1 LEU A 34 10.392 -12.746 -8.692 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.499 -13.473 -9.837 1.00 0.00 C ATOM 0 H LEU A 34 8.894 -16.260 -10.755 1.00 0.00 H new ATOM 0 HA LEU A 34 11.766 -15.834 -11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.655 -15.225 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.301 -15.408 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 34 10.540 -13.501 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.611 -11.718 -8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.312 -12.890 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.820 -12.946 -7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.689 -12.436 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.980 -13.689 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.904 -14.132 -10.605 1.00 0.00 H new ATOM 565 N GLY A 35 10.464 -18.378 -9.455 1.00 0.00 N ATOM 566 CA GLY A 35 10.799 -19.654 -8.840 1.00 0.00 C ATOM 567 C GLY A 35 10.657 -19.618 -7.331 1.00 0.00 C ATOM 568 O GLY A 35 11.655 -19.578 -6.611 1.00 0.00 O ATOM 0 H GLY A 35 9.467 -18.222 -9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.152 -20.432 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.823 -19.923 -9.100 1.00 0.00 H new ATOM 572 N LEU A 36 9.413 -19.625 -6.851 1.00 0.00 N ATOM 573 CA LEU A 36 9.144 -19.583 -5.416 1.00 0.00 C ATOM 574 C LEU A 36 7.856 -20.328 -5.066 1.00 0.00 C ATOM 575 O LEU A 36 6.784 -19.727 -4.974 1.00 0.00 O ATOM 576 CB LEU A 36 9.054 -18.129 -4.945 1.00 0.00 C ATOM 577 CG LEU A 36 10.013 -17.753 -3.815 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.277 -16.256 -3.821 1.00 0.00 C ATOM 579 CD2 LEU A 36 9.457 -18.197 -2.470 1.00 0.00 C ATOM 0 H LEU A 36 8.578 -19.659 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 36 9.968 -20.081 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.246 -17.475 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.034 -17.933 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 36 10.959 -18.269 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.961 -16.004 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.721 -15.969 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.338 -15.720 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.154 -17.920 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.497 -17.711 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.321 -19.278 -2.472 1.00 0.00 H new ATOM 591 N HIS A 37 7.969 -21.639 -4.862 1.00 0.00 N ATOM 592 CA HIS A 37 6.812 -22.462 -4.510 1.00 0.00 C ATOM 593 C HIS A 37 6.344 -22.160 -3.088 1.00 0.00 C ATOM 594 O HIS A 37 5.143 -22.146 -2.813 1.00 0.00 O ATOM 595 CB HIS A 37 7.145 -23.949 -4.654 1.00 0.00 C ATOM 596 CG HIS A 37 7.640 -24.318 -6.020 1.00 0.00 C ATOM 597 ND1 HIS A 37 7.145 -23.751 -7.177 1.00 0.00 N ATOM 598 CD2 HIS A 37 8.598 -25.191 -6.412 1.00 0.00 C ATOM 599 CE1 HIS A 37 7.776 -24.260 -8.219 1.00 0.00 C ATOM 600 NE2 HIS A 37 8.664 -25.135 -7.783 1.00 0.00 N ATOM 0 H HIS A 37 8.847 -22.154 -4.934 1.00 0.00 H new ATOM 0 HA HIS A 37 6.002 -22.218 -5.198 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.901 -24.218 -3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.256 -24.537 -4.427 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.198 -25.815 -5.767 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.596 -24.004 -9.253 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.296 -25.680 -8.369 1.00 0.00 H new ATOM 609 N ASP A 38 7.301 -21.908 -2.190 1.00 0.00 N ATOM 610 CA ASP A 38 6.992 -21.595 -0.795 1.00 0.00 C ATOM 611 C ASP A 38 6.047 -20.395 -0.690 1.00 0.00 C ATOM 612 O ASP A 38 5.222 -20.329 0.220 1.00 0.00 O ATOM 613 CB ASP A 38 8.277 -21.303 -0.013 1.00 0.00 C ATOM 614 CG ASP A 38 8.752 -22.494 0.797 1.00 0.00 C ATOM 615 OD1 ASP A 38 9.177 -23.496 0.185 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.702 -22.422 2.043 1.00 0.00 O ATOM 0 H ASP A 38 8.298 -21.915 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 38 6.497 -22.466 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.062 -21.006 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.107 -20.459 0.655 1.00 0.00 H new ATOM 621 N TYR A 39 6.174 -19.448 -1.623 1.00 0.00 N ATOM 622 CA TYR A 39 5.327 -18.256 -1.624 1.00 0.00 C ATOM 623 C TYR A 39 3.853 -18.627 -1.770 1.00 0.00 C ATOM 624 O TYR A 39 3.010 -18.138 -1.021 1.00 0.00 O ATOM 625 CB TYR A 39 5.740 -17.301 -2.746 1.00 0.00 C ATOM 626 CG TYR A 39 5.942 -15.874 -2.283 1.00 0.00 C ATOM 627 CD1 TYR A 39 7.008 -15.534 -1.458 1.00 0.00 C ATOM 628 CD2 TYR A 39 5.068 -14.867 -2.672 1.00 0.00 C ATOM 629 CE1 TYR A 39 7.196 -14.231 -1.035 1.00 0.00 C ATOM 630 CE2 TYR A 39 5.250 -13.562 -2.254 1.00 0.00 C ATOM 631 CZ TYR A 39 6.315 -13.249 -1.436 1.00 0.00 C ATOM 632 OH TYR A 39 6.500 -11.950 -1.019 1.00 0.00 O ATOM 0 H TYR A 39 6.853 -19.484 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 39 5.461 -17.754 -0.666 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.664 -17.662 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.977 -17.317 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.701 -16.300 -1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.232 -15.108 -3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 39 8.029 -13.984 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.561 -12.791 -2.567 1.00 0.00 H new ATOM 0 HH TYR A 39 5.793 -11.383 -1.391 1.00 0.00 H new ATOM 642 N HIS A 40 3.546 -19.498 -2.731 1.00 0.00 N ATOM 643 CA HIS A 40 2.166 -19.929 -2.954 1.00 0.00 C ATOM 644 C HIS A 40 1.676 -20.819 -1.807 1.00 0.00 C ATOM 645 O HIS A 40 0.483 -20.851 -1.505 1.00 0.00 O ATOM 646 CB HIS A 40 2.041 -20.675 -4.286 1.00 0.00 C ATOM 647 CG HIS A 40 0.748 -20.413 -4.997 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.390 -21.170 -4.801 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.413 -19.466 -5.906 1.00 0.00 C ATOM 650 CE1 HIS A 40 -1.365 -20.701 -5.560 1.00 0.00 C ATOM 651 NE2 HIS A 40 -0.904 -19.667 -6.239 1.00 0.00 N ATOM 0 H HIS A 40 4.228 -19.916 -3.363 1.00 0.00 H new ATOM 0 HA HIS A 40 1.541 -19.037 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.868 -20.386 -4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.137 -21.746 -4.105 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.062 -18.696 -6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.368 -21.096 -5.615 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.439 -19.108 -6.903 1.00 0.00 H new ATOM 660 N ASP A 41 2.605 -21.539 -1.173 1.00 0.00 N ATOM 661 CA ASP A 41 2.266 -22.427 -0.062 1.00 0.00 C ATOM 662 C ASP A 41 2.007 -21.633 1.218 1.00 0.00 C ATOM 663 O ASP A 41 1.003 -21.850 1.897 1.00 0.00 O ATOM 664 CB ASP A 41 3.390 -23.446 0.171 1.00 0.00 C ATOM 665 CG ASP A 41 3.383 -24.574 -0.848 1.00 0.00 C ATOM 666 OD1 ASP A 41 3.130 -24.302 -2.042 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.634 -25.731 -0.452 1.00 0.00 O ATOM 0 H ASP A 41 3.597 -21.523 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 41 1.352 -22.959 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.352 -22.934 0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.292 -23.866 1.172 1.00 0.00 H new ATOM 672 N ILE A 42 2.918 -20.715 1.543 1.00 0.00 N ATOM 673 CA ILE A 42 2.787 -19.892 2.744 1.00 0.00 C ATOM 674 C ILE A 42 1.815 -18.733 2.526 1.00 0.00 C ATOM 675 O ILE A 42 0.849 -18.576 3.276 1.00 0.00 O ATOM 676 CB ILE A 42 4.148 -19.320 3.201 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.192 -20.435 3.313 1.00 0.00 C ATOM 678 CG2 ILE A 42 3.998 -18.597 4.532 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.616 -19.925 3.329 1.00 0.00 C ATOM 0 H ILE A 42 3.754 -20.523 0.991 1.00 0.00 H new ATOM 0 HA ILE A 42 2.398 -20.550 3.521 1.00 0.00 H new ATOM 0 HB ILE A 42 4.490 -18.605 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.008 -21.005 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.070 -21.123 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.965 -18.200 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.287 -17.778 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.635 -19.295 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.303 -20.767 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.818 -19.380 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.755 -19.260 4.182 1.00 0.00 H new ATOM 691 N ILE A 43 2.078 -17.920 1.504 1.00 0.00 N ATOM 692 CA ILE A 43 1.227 -16.772 1.198 1.00 0.00 C ATOM 693 C ILE A 43 -0.043 -17.207 0.469 1.00 0.00 C ATOM 694 O ILE A 43 -1.148 -17.046 0.989 1.00 0.00 O ATOM 695 CB ILE A 43 1.971 -15.716 0.342 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.341 -15.392 0.952 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.133 -14.453 0.203 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.275 -14.907 2.386 1.00 0.00 C ATOM 0 H ILE A 43 2.873 -18.035 0.875 1.00 0.00 H new ATOM 0 HA ILE A 43 0.958 -16.319 2.152 1.00 0.00 H new ATOM 0 HB ILE A 43 2.131 -16.132 -0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.967 -16.283 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.828 -14.630 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.672 -13.723 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.186 -14.696 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.940 -14.034 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.282 -14.699 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.677 -13.997 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.818 -15.676 3.009 1.00 0.00 H new ATOM 710 N LYS A 44 0.126 -17.749 -0.743 1.00 0.00 N ATOM 711 CA LYS A 44 -0.992 -18.213 -1.573 1.00 0.00 C ATOM 712 C LYS A 44 -1.729 -17.057 -2.263 1.00 0.00 C ATOM 713 O LYS A 44 -2.354 -17.258 -3.306 1.00 0.00 O ATOM 714 CB LYS A 44 -1.974 -19.041 -0.746 1.00 0.00 C ATOM 715 CG LYS A 44 -2.770 -20.040 -1.575 1.00 0.00 C ATOM 716 CD LYS A 44 -4.013 -20.517 -0.840 1.00 0.00 C ATOM 717 CE LYS A 44 -5.195 -19.586 -1.071 1.00 0.00 C ATOM 718 NZ LYS A 44 -5.617 -18.888 0.179 1.00 0.00 N ATOM 0 H LYS A 44 1.041 -17.878 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.563 -18.840 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.424 -19.578 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.666 -18.369 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.060 -19.580 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.140 -20.896 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.270 -21.522 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.803 -20.580 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.930 -18.846 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.034 -20.158 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.424 -18.265 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.895 -19.592 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.826 -18.320 0.543 1.00 0.00 H new ATOM 732 N HIS A 45 -1.659 -15.853 -1.687 1.00 0.00 N ATOM 733 CA HIS A 45 -2.324 -14.685 -2.261 1.00 0.00 C ATOM 734 C HIS A 45 -1.330 -13.539 -2.480 1.00 0.00 C ATOM 735 O HIS A 45 -1.317 -12.563 -1.724 1.00 0.00 O ATOM 736 CB HIS A 45 -3.465 -14.223 -1.348 1.00 0.00 C ATOM 737 CG HIS A 45 -4.825 -14.647 -1.815 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.783 -13.756 -2.251 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.389 -15.875 -1.904 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.877 -14.416 -2.586 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.664 -15.704 -2.387 1.00 0.00 N ATOM 0 H HIS A 45 -1.148 -15.664 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.735 -14.971 -3.229 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.297 -14.616 -0.345 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.440 -13.136 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.923 -16.814 -1.644 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.790 -13.977 -2.959 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.336 -16.450 -2.563 1.00 0.00 H new ATOM 750 N PRO A 46 -0.479 -13.643 -3.523 1.00 0.00 N ATOM 751 CA PRO A 46 0.522 -12.613 -3.843 1.00 0.00 C ATOM 752 C PRO A 46 -0.111 -11.238 -4.057 1.00 0.00 C ATOM 753 O PRO A 46 -1.107 -11.108 -4.771 1.00 0.00 O ATOM 754 CB PRO A 46 1.163 -13.120 -5.140 1.00 0.00 C ATOM 755 CG PRO A 46 0.901 -14.586 -5.149 1.00 0.00 C ATOM 756 CD PRO A 46 -0.425 -14.772 -4.468 1.00 0.00 C ATOM 0 HA PRO A 46 1.236 -12.474 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.726 -12.635 -6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.232 -12.910 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.874 -14.972 -6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.689 -15.127 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.251 -14.742 -5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.482 -15.731 -3.953 1.00 0.00 H new ATOM 764 N MET A 47 0.473 -10.217 -3.427 1.00 0.00 N ATOM 765 CA MET A 47 -0.035 -8.850 -3.539 1.00 0.00 C ATOM 766 C MET A 47 1.063 -7.885 -3.987 1.00 0.00 C ATOM 767 O MET A 47 2.216 -8.005 -3.567 1.00 0.00 O ATOM 768 CB MET A 47 -0.618 -8.389 -2.200 1.00 0.00 C ATOM 769 CG MET A 47 -2.012 -8.934 -1.922 1.00 0.00 C ATOM 770 SD MET A 47 -3.176 -7.649 -1.426 1.00 0.00 S ATOM 771 CE MET A 47 -3.260 -6.673 -2.925 1.00 0.00 C ATOM 0 H MET A 47 1.298 -10.312 -2.834 1.00 0.00 H new ATOM 0 HA MET A 47 -0.821 -8.847 -4.294 1.00 0.00 H new ATOM 0 HB2 MET A 47 0.051 -8.698 -1.397 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.653 -7.300 -2.184 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.387 -9.433 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.953 -9.688 -1.137 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.232 -5.613 -2.671 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.412 -6.916 -3.565 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.188 -6.895 -3.452 1.00 0.00 H new ATOM 781 N ASP A 48 0.697 -6.932 -4.845 1.00 0.00 N ATOM 782 CA ASP A 48 1.648 -5.944 -5.358 1.00 0.00 C ATOM 783 C ASP A 48 0.948 -4.622 -5.678 1.00 0.00 C ATOM 784 O ASP A 48 -0.267 -4.588 -5.889 1.00 0.00 O ATOM 785 CB ASP A 48 2.344 -6.480 -6.613 1.00 0.00 C ATOM 786 CG ASP A 48 1.359 -6.993 -7.647 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.802 -8.092 -7.445 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.139 -6.291 -8.655 1.00 0.00 O ATOM 0 H ASP A 48 -0.253 -6.823 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 48 2.393 -5.761 -4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.951 -5.689 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.024 -7.284 -6.332 1.00 0.00 H new ATOM 793 N LEU A 49 1.724 -3.536 -5.718 1.00 0.00 N ATOM 794 CA LEU A 49 1.183 -2.206 -6.016 1.00 0.00 C ATOM 795 C LEU A 49 0.647 -2.126 -7.449 1.00 0.00 C ATOM 796 O LEU A 49 -0.284 -1.366 -7.724 1.00 0.00 O ATOM 797 CB LEU A 49 2.250 -1.125 -5.804 1.00 0.00 C ATOM 798 CG LEU A 49 2.985 -1.179 -4.461 1.00 0.00 C ATOM 799 CD1 LEU A 49 4.134 -0.181 -4.441 1.00 0.00 C ATOM 800 CD2 LEU A 49 2.018 -0.912 -3.314 1.00 0.00 C ATOM 0 H LEU A 49 2.730 -3.551 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 49 0.355 -2.032 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.986 -1.203 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.777 -0.148 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 49 3.400 -2.179 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.645 -0.233 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.837 -0.420 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.744 0.826 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.556 -0.954 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.574 0.076 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.231 -1.667 -3.318 1.00 0.00 H new ATOM 812 N SER A 50 1.236 -2.910 -8.359 1.00 0.00 N ATOM 813 CA SER A 50 0.808 -2.918 -9.759 1.00 0.00 C ATOM 814 C SER A 50 -0.663 -3.315 -9.885 1.00 0.00 C ATOM 815 O SER A 50 -1.399 -2.733 -10.683 1.00 0.00 O ATOM 816 CB SER A 50 1.682 -3.862 -10.591 1.00 0.00 C ATOM 817 OG SER A 50 2.757 -3.160 -11.190 1.00 0.00 O ATOM 0 H SER A 50 2.007 -3.544 -8.151 1.00 0.00 H new ATOM 0 HA SER A 50 0.924 -1.905 -10.144 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.071 -4.658 -9.956 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.078 -4.337 -11.364 1.00 0.00 H new ATOM 0 HG SER A 50 3.508 -3.113 -10.562 1.00 0.00 H new ATOM 823 N THR A 51 -1.092 -4.296 -9.087 1.00 0.00 N ATOM 824 CA THR A 51 -2.482 -4.746 -9.111 1.00 0.00 C ATOM 825 C THR A 51 -3.409 -3.658 -8.561 1.00 0.00 C ATOM 826 O THR A 51 -4.531 -3.485 -9.042 1.00 0.00 O ATOM 827 CB THR A 51 -2.651 -6.043 -8.307 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.746 -7.036 -8.756 1.00 0.00 O ATOM 829 CG2 THR A 51 -4.045 -6.624 -8.399 1.00 0.00 C ATOM 0 H THR A 51 -0.499 -4.790 -8.420 1.00 0.00 H new ATOM 0 HA THR A 51 -2.754 -4.946 -10.147 1.00 0.00 H new ATOM 0 HB THR A 51 -2.453 -5.767 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.847 -6.653 -8.823 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.098 -7.539 -7.809 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.766 -5.902 -8.015 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.277 -6.850 -9.440 1.00 0.00 H new ATOM 837 N VAL A 52 -2.926 -2.920 -7.558 1.00 0.00 N ATOM 838 CA VAL A 52 -3.702 -1.839 -6.950 1.00 0.00 C ATOM 839 C VAL A 52 -3.995 -0.730 -7.964 1.00 0.00 C ATOM 840 O VAL A 52 -5.092 -0.169 -7.981 1.00 0.00 O ATOM 841 CB VAL A 52 -2.970 -1.223 -5.737 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.865 -0.215 -5.030 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.504 -2.305 -4.769 1.00 0.00 C ATOM 0 H VAL A 52 -2.000 -3.052 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.639 -2.282 -6.613 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.086 -0.702 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.333 0.209 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.134 0.582 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.770 -0.713 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.992 -1.842 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.366 -2.866 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.820 -2.982 -5.281 1.00 0.00 H new ATOM 853 N LYS A 53 -3.005 -0.418 -8.807 1.00 0.00 N ATOM 854 CA LYS A 53 -3.152 0.626 -9.823 1.00 0.00 C ATOM 855 C LYS A 53 -4.319 0.316 -10.758 1.00 0.00 C ATOM 856 O LYS A 53 -5.157 1.179 -11.018 1.00 0.00 O ATOM 857 CB LYS A 53 -1.853 0.773 -10.628 1.00 0.00 C ATOM 858 CG LYS A 53 -1.864 1.938 -11.610 1.00 0.00 C ATOM 859 CD LYS A 53 -0.929 3.056 -11.165 1.00 0.00 C ATOM 860 CE LYS A 53 -0.753 4.113 -12.249 1.00 0.00 C ATOM 861 NZ LYS A 53 -0.073 3.574 -13.464 1.00 0.00 N ATOM 0 H LYS A 53 -2.093 -0.875 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.361 1.567 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.021 0.902 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.671 -0.151 -11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.566 1.585 -12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.878 2.327 -11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.325 3.523 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.043 2.636 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.729 4.509 -12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.173 4.945 -11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.281 4.363 -14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.724 2.970 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.749 3.013 -14.020 1.00 0.00 H new ATOM 875 N ARG A 54 -4.373 -0.921 -11.251 1.00 0.00 N ATOM 876 CA ARG A 54 -5.446 -1.344 -12.149 1.00 0.00 C ATOM 877 C ARG A 54 -6.813 -1.185 -11.482 1.00 0.00 C ATOM 878 O ARG A 54 -7.774 -0.753 -12.120 1.00 0.00 O ATOM 879 CB ARG A 54 -5.241 -2.801 -12.579 1.00 0.00 C ATOM 880 CG ARG A 54 -6.008 -3.180 -13.836 1.00 0.00 C ATOM 881 CD ARG A 54 -6.012 -4.687 -14.057 1.00 0.00 C ATOM 882 NE ARG A 54 -5.915 -5.038 -15.474 1.00 0.00 N ATOM 883 CZ ARG A 54 -4.797 -4.926 -16.198 1.00 0.00 C ATOM 884 NH1 ARG A 54 -3.680 -4.453 -15.649 1.00 0.00 N ATOM 885 NH2 ARG A 54 -4.796 -5.287 -17.476 1.00 0.00 N ATOM 0 H ARG A 54 -3.687 -1.647 -11.044 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.416 -0.705 -13.032 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.178 -2.975 -12.746 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.548 -3.458 -11.765 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.034 -2.820 -13.759 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.561 -2.686 -14.699 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.178 -5.134 -13.516 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.926 -5.111 -13.641 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.752 -5.390 -15.938 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.673 -4.173 -14.668 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.831 -4.371 -16.209 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.648 -5.649 -17.904 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.943 -5.202 -18.029 1.00 0.00 H new ATOM 899 N LYS A 55 -6.892 -1.534 -10.195 1.00 0.00 N ATOM 900 CA LYS A 55 -8.142 -1.427 -9.443 1.00 0.00 C ATOM 901 C LYS A 55 -8.554 0.035 -9.270 1.00 0.00 C ATOM 902 O LYS A 55 -9.714 0.386 -9.484 1.00 0.00 O ATOM 903 CB LYS A 55 -8.005 -2.100 -8.074 1.00 0.00 C ATOM 904 CG LYS A 55 -7.770 -3.600 -8.154 1.00 0.00 C ATOM 905 CD LYS A 55 -7.056 -4.123 -6.920 1.00 0.00 C ATOM 906 CE LYS A 55 -7.285 -5.615 -6.743 1.00 0.00 C ATOM 907 NZ LYS A 55 -6.949 -6.072 -5.367 1.00 0.00 N ATOM 0 H LYS A 55 -6.105 -1.893 -9.654 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.919 -1.938 -10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.178 -1.639 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.909 -1.913 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.725 -4.113 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.179 -3.829 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.988 -3.924 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.412 -3.591 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.327 -5.850 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.679 -6.163 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.119 -6.698 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.736 -5.248 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.757 -6.590 -4.966 1.00 0.00 H new ATOM 921 N MET A 56 -7.598 0.885 -8.893 1.00 0.00 N ATOM 922 CA MET A 56 -7.869 2.312 -8.706 1.00 0.00 C ATOM 923 C MET A 56 -8.227 2.978 -10.038 1.00 0.00 C ATOM 924 O MET A 56 -9.019 3.921 -10.075 1.00 0.00 O ATOM 925 CB MET A 56 -6.662 3.015 -8.078 1.00 0.00 C ATOM 926 CG MET A 56 -6.374 2.578 -6.649 1.00 0.00 C ATOM 927 SD MET A 56 -5.663 3.898 -5.645 1.00 0.00 S ATOM 928 CE MET A 56 -7.128 4.532 -4.833 1.00 0.00 C ATOM 0 H MET A 56 -6.632 0.612 -8.712 1.00 0.00 H new ATOM 0 HA MET A 56 -8.719 2.405 -8.031 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.782 2.823 -8.691 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.832 4.092 -8.092 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.298 2.233 -6.186 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.689 1.730 -6.664 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.852 5.356 -4.175 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.835 4.887 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.591 3.739 -4.246 1.00 0.00 H new ATOM 938 N GLU A 57 -7.642 2.476 -11.128 1.00 0.00 N ATOM 939 CA GLU A 57 -7.902 3.011 -12.466 1.00 0.00 C ATOM 940 C GLU A 57 -9.307 2.642 -12.942 1.00 0.00 C ATOM 941 O GLU A 57 -9.951 3.409 -13.659 1.00 0.00 O ATOM 942 CB GLU A 57 -6.866 2.484 -13.463 1.00 0.00 C ATOM 943 CG GLU A 57 -5.571 3.282 -13.478 1.00 0.00 C ATOM 944 CD GLU A 57 -5.669 4.542 -14.319 1.00 0.00 C ATOM 945 OE1 GLU A 57 -5.937 4.428 -15.534 1.00 0.00 O ATOM 946 OE2 GLU A 57 -5.475 5.643 -13.762 1.00 0.00 O ATOM 0 H GLU A 57 -6.983 1.697 -11.110 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.828 4.097 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.640 1.445 -13.223 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.300 2.493 -14.463 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.303 3.552 -12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.767 2.655 -13.863 1.00 0.00 H new ATOM 953 N ASN A 58 -9.778 1.464 -12.532 1.00 0.00 N ATOM 954 CA ASN A 58 -11.103 0.989 -12.903 1.00 0.00 C ATOM 955 C ASN A 58 -12.111 1.242 -11.778 1.00 0.00 C ATOM 956 O ASN A 58 -13.296 0.936 -11.924 1.00 0.00 O ATOM 957 CB ASN A 58 -11.051 -0.509 -13.231 1.00 0.00 C ATOM 958 CG ASN A 58 -11.343 -0.796 -14.692 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.422 -1.278 -15.036 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.381 -0.503 -15.561 1.00 0.00 N ATOM 0 H ASN A 58 -9.254 0.820 -11.939 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.428 1.540 -13.785 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.065 -0.899 -12.978 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.773 -1.039 -12.609 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.522 -0.677 -16.556 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.501 -0.104 -15.233 1.00 0.00 H new ATOM 967 N ARG A 59 -11.636 1.794 -10.652 1.00 0.00 N ATOM 968 CA ARG A 59 -12.492 2.074 -9.510 1.00 0.00 C ATOM 969 C ARG A 59 -13.090 0.779 -8.959 1.00 0.00 C ATOM 970 O ARG A 59 -14.280 0.708 -8.647 1.00 0.00 O ATOM 971 CB ARG A 59 -13.591 3.062 -9.899 1.00 0.00 C ATOM 972 CG ARG A 59 -14.238 3.741 -8.705 1.00 0.00 C ATOM 973 CD ARG A 59 -14.988 5.005 -9.105 1.00 0.00 C ATOM 974 NE ARG A 59 -16.419 4.911 -8.814 1.00 0.00 N ATOM 975 CZ ARG A 59 -16.934 4.879 -7.581 1.00 0.00 C ATOM 976 NH1 ARG A 59 -16.140 4.920 -6.512 1.00 0.00 N ATOM 977 NH2 ARG A 59 -18.250 4.805 -7.415 1.00 0.00 N ATOM 0 H ARG A 59 -10.659 2.053 -10.516 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.889 2.528 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.170 3.823 -10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.357 2.537 -10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.927 3.048 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.472 3.991 -7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.566 5.859 -8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.846 5.188 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.065 4.867 -9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.128 4.976 -6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.544 4.895 -5.576 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.866 4.773 -8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.645 4.780 -6.475 1.00 0.00 H new ATOM 991 N ASP A 60 -12.242 -0.240 -8.839 1.00 0.00 N ATOM 992 CA ASP A 60 -12.659 -1.539 -8.321 1.00 0.00 C ATOM 993 C ASP A 60 -12.850 -1.485 -6.805 1.00 0.00 C ATOM 994 O ASP A 60 -13.701 -2.185 -6.254 1.00 0.00 O ATOM 995 CB ASP A 60 -11.618 -2.605 -8.676 1.00 0.00 C ATOM 996 CG ASP A 60 -12.019 -3.992 -8.211 1.00 0.00 C ATOM 997 OD1 ASP A 60 -13.010 -4.533 -8.745 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.341 -4.535 -7.313 1.00 0.00 O ATOM 0 H ASP A 60 -11.256 -0.189 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.613 -1.799 -8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.470 -2.617 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.662 -2.338 -8.226 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.051 -0.650 -6.139 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.128 -0.503 -4.687 1.00 0.00 C ATOM 1005 C TYR A 61 -13.461 0.119 -4.267 1.00 0.00 C ATOM 1006 O TYR A 61 -14.298 -0.543 -3.653 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.972 0.363 -4.177 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.634 -0.347 -4.139 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.376 -1.336 -3.197 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.625 -0.016 -5.036 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.152 -1.976 -3.151 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.399 -0.654 -4.997 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.167 -1.631 -4.051 1.00 0.00 C ATOM 1014 OH TYR A 61 -5.947 -2.265 -4.006 1.00 0.00 O ATOM 0 H TYR A 61 -11.343 -0.065 -6.583 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.055 -1.497 -4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.885 1.244 -4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.212 0.716 -3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.145 -1.609 -2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.801 0.752 -5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.968 -2.743 -2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.627 -0.389 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.015 -3.137 -4.449 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.643 1.403 -4.597 1.00 0.00 N ATOM 1025 CA ARG A 62 -14.866 2.140 -4.256 1.00 0.00 C ATOM 1026 C ARG A 62 -15.042 2.299 -2.735 1.00 0.00 C ATOM 1027 O ARG A 62 -16.081 2.783 -2.279 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.101 1.457 -4.863 1.00 0.00 C ATOM 1029 CG ARG A 62 -15.895 0.983 -6.294 1.00 0.00 C ATOM 1030 CD ARG A 62 -17.212 0.630 -6.972 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.017 -0.286 -8.097 1.00 0.00 N ATOM 1032 CZ ARG A 62 -16.799 -1.599 -7.962 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -16.777 -2.159 -6.755 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -16.604 -2.354 -9.038 1.00 0.00 N ATOM 0 H ARG A 62 -12.953 1.957 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.765 3.138 -4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.375 0.604 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.940 2.153 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.390 1.762 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.241 0.111 -6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.884 0.174 -6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.695 1.541 -7.325 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.049 0.100 -9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.927 -1.586 -5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.610 -3.161 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.621 -1.932 -9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -16.438 -3.355 -8.935 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.027 1.904 -1.955 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.079 2.016 -0.496 1.00 0.00 C ATOM 1050 C ASP A 63 -12.680 2.217 0.079 1.00 0.00 C ATOM 1051 O ASP A 63 -11.706 1.658 -0.431 1.00 0.00 O ATOM 1052 CB ASP A 63 -14.709 0.762 0.125 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.161 0.573 -0.270 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -17.033 1.217 0.350 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -16.424 -0.217 -1.200 1.00 0.00 O ATOM 0 H ASP A 63 -13.160 1.504 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.695 2.882 -0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.138 -0.115 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.639 0.826 1.211 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.587 3.002 1.154 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.305 3.258 1.809 1.00 0.00 C ATOM 1062 C ALA A 64 -10.842 2.022 2.575 1.00 0.00 C ATOM 1063 O ALA A 64 -9.648 1.717 2.620 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.411 4.460 2.741 1.00 0.00 C ATOM 0 H ALA A 64 -13.383 3.470 1.588 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.564 3.485 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.448 4.635 3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.697 5.341 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.165 4.264 3.504 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.800 1.307 3.167 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.500 0.095 3.923 1.00 0.00 C ATOM 1072 C GLN A 65 -10.941 -0.998 3.011 1.00 0.00 C ATOM 1073 O GLN A 65 -10.026 -1.725 3.397 1.00 0.00 O ATOM 1074 CB GLN A 65 -12.754 -0.417 4.635 1.00 0.00 C ATOM 1075 CG GLN A 65 -12.479 -0.985 6.019 1.00 0.00 C ATOM 1076 CD GLN A 65 -13.449 -0.470 7.065 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -14.310 -1.206 7.546 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -13.314 0.803 7.422 1.00 0.00 N ATOM 0 H GLN A 65 -12.791 1.548 3.136 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.744 0.346 4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.471 0.399 4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.221 -1.187 4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.537 -2.073 5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.462 -0.731 6.316 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.586 1.377 6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.938 1.206 8.121 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.497 -1.109 1.800 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.051 -2.117 0.836 1.00 0.00 C ATOM 1089 C GLU A 66 -9.562 -1.970 0.529 1.00 0.00 C ATOM 1090 O GLU A 66 -8.839 -2.964 0.441 1.00 0.00 O ATOM 1091 CB GLU A 66 -11.854 -2.009 -0.464 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.282 -2.531 -0.357 1.00 0.00 C ATOM 1093 CD GLU A 66 -13.364 -4.051 -0.353 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -12.473 -4.704 -0.941 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -14.323 -4.588 0.238 1.00 0.00 O ATOM 0 H GLU A 66 -12.255 -0.514 1.466 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.218 -3.096 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.882 -0.965 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.334 -2.561 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.735 -2.146 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.867 -2.144 -1.191 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.107 -0.726 0.370 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.702 -0.459 0.075 1.00 0.00 C ATOM 1104 C PHE A 67 -6.817 -0.849 1.256 1.00 0.00 C ATOM 1105 O PHE A 67 -5.861 -1.609 1.096 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.491 1.018 -0.265 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.051 1.375 -0.524 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.345 0.771 -1.555 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.403 2.313 0.265 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.023 1.096 -1.791 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.082 2.640 0.032 1.00 0.00 C ATOM 1112 CZ PHE A 67 -3.391 2.032 -0.997 1.00 0.00 C ATOM 0 H PHE A 67 -9.690 0.108 0.441 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.422 -1.063 -0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.083 1.268 -1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.867 1.629 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.835 0.039 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.938 2.793 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.484 0.618 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.589 3.372 0.655 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.358 2.288 -1.180 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.142 -0.322 2.440 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.375 -0.614 3.652 1.00 0.00 C ATOM 1124 C ALA A 68 -6.283 -2.118 3.901 1.00 0.00 C ATOM 1125 O ALA A 68 -5.257 -2.613 4.370 1.00 0.00 O ATOM 1126 CB ALA A 68 -6.990 0.085 4.858 1.00 0.00 C ATOM 0 H ALA A 68 -7.931 0.309 2.584 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.364 -0.234 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.405 -0.145 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.991 1.162 4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.014 -0.262 4.997 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.358 -2.840 3.577 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.398 -4.290 3.758 1.00 0.00 C ATOM 1134 C ALA A 69 -6.358 -4.983 2.878 1.00 0.00 C ATOM 1135 O ALA A 69 -5.687 -5.918 3.317 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.792 -4.828 3.454 1.00 0.00 C ATOM 0 H ALA A 69 -8.213 -2.442 3.188 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.159 -4.505 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.803 -5.909 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.515 -4.367 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.056 -4.593 2.423 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.231 -4.520 1.634 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.273 -5.098 0.692 1.00 0.00 C ATOM 1144 C ASP A 70 -3.837 -4.742 1.071 1.00 0.00 C ATOM 1145 O ASP A 70 -2.940 -5.582 0.983 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.569 -4.613 -0.730 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.498 -5.546 -1.486 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -7.464 -6.048 -0.877 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -6.260 -5.771 -2.690 1.00 0.00 O ATOM 0 H ASP A 70 -6.779 -3.747 1.256 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.378 -6.182 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.016 -3.620 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.632 -4.516 -1.279 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.623 -3.497 1.493 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.290 -3.044 1.882 1.00 0.00 C ATOM 1156 C VAL A 71 -1.783 -3.821 3.097 1.00 0.00 C ATOM 1157 O VAL A 71 -0.636 -4.267 3.120 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.264 -1.531 2.191 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.835 -1.059 2.425 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.914 -0.740 1.062 1.00 0.00 C ATOM 0 H VAL A 71 -4.352 -2.788 1.574 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.633 -3.232 1.033 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.837 -1.357 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.836 0.009 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.407 -1.600 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.239 -1.248 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.885 0.323 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.372 -0.919 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.950 -1.058 0.945 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.645 -3.987 4.102 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.276 -4.718 5.314 1.00 0.00 C ATOM 1172 C ARG A 72 -1.978 -6.190 5.005 1.00 0.00 C ATOM 1173 O ARG A 72 -1.111 -6.796 5.636 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.384 -4.609 6.372 1.00 0.00 C ATOM 1175 CG ARG A 72 -4.687 -5.296 5.985 1.00 0.00 C ATOM 1176 CD ARG A 72 -5.614 -5.450 7.181 1.00 0.00 C ATOM 1177 NE ARG A 72 -6.084 -6.827 7.337 1.00 0.00 N ATOM 1178 CZ ARG A 72 -6.592 -7.323 8.469 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -6.722 -6.556 9.550 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -6.977 -8.594 8.520 1.00 0.00 N ATOM 0 H ARG A 72 -3.599 -3.627 4.100 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.368 -4.264 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.023 -5.040 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.585 -3.555 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.187 -4.718 5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.470 -6.277 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.092 -5.140 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.470 -4.786 7.064 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.020 -7.448 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.432 -5.578 9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.111 -6.946 10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.884 -9.188 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.365 -8.975 9.383 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.697 -6.756 4.031 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.504 -8.154 3.643 1.00 0.00 C ATOM 1196 C LEU A 73 -1.148 -8.360 2.968 1.00 0.00 C ATOM 1197 O LEU A 73 -0.432 -9.311 3.282 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.628 -8.605 2.704 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.700 -10.114 2.450 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.716 -10.765 3.378 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -4.043 -10.394 0.993 1.00 0.00 C ATOM 0 H LEU A 73 -3.417 -6.267 3.498 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.529 -8.758 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.581 -8.277 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.506 -8.097 1.747 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.722 -10.546 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.753 -11.837 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.424 -10.595 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.700 -10.330 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.090 -11.471 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.009 -9.949 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.276 -9.963 0.349 1.00 0.00 H new ATOM 1213 N MET A 74 -0.799 -7.461 2.045 1.00 0.00 N ATOM 1214 CA MET A 74 0.476 -7.543 1.331 1.00 0.00 C ATOM 1215 C MET A 74 1.648 -7.395 2.297 1.00 0.00 C ATOM 1216 O MET A 74 2.622 -8.148 2.226 1.00 0.00 O ATOM 1217 CB MET A 74 0.560 -6.462 0.250 1.00 0.00 C ATOM 1218 CG MET A 74 1.791 -6.580 -0.638 1.00 0.00 C ATOM 1219 SD MET A 74 2.453 -4.977 -1.131 1.00 0.00 S ATOM 1220 CE MET A 74 1.208 -4.443 -2.302 1.00 0.00 C ATOM 0 H MET A 74 -1.381 -6.668 1.775 1.00 0.00 H new ATOM 0 HA MET A 74 0.531 -8.523 0.858 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.333 -6.513 -0.373 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.560 -5.482 0.727 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.563 -7.140 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.537 -7.153 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.682 -3.879 -3.105 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.703 -5.314 -2.719 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.480 -3.810 -1.795 1.00 0.00 H new ATOM 1230 N PHE A 75 1.542 -6.421 3.200 1.00 0.00 N ATOM 1231 CA PHE A 75 2.588 -6.168 4.188 1.00 0.00 C ATOM 1232 C PHE A 75 2.742 -7.359 5.134 1.00 0.00 C ATOM 1233 O PHE A 75 3.856 -7.692 5.543 1.00 0.00 O ATOM 1234 CB PHE A 75 2.274 -4.895 4.980 1.00 0.00 C ATOM 1235 CG PHE A 75 2.596 -3.627 4.233 1.00 0.00 C ATOM 1236 CD1 PHE A 75 2.206 -3.461 2.911 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.289 -2.602 4.854 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.503 -2.299 2.227 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.588 -1.438 4.173 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.195 -1.286 2.859 1.00 0.00 C ATOM 0 H PHE A 75 0.741 -5.794 3.267 1.00 0.00 H new ATOM 0 HA PHE A 75 3.531 -6.029 3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.217 -4.893 5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.836 -4.910 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.664 -4.250 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.599 -2.714 5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.194 -2.183 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.130 -0.646 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.429 -0.376 2.326 1.00 0.00 H new ATOM 1250 N SER A 76 1.621 -8.004 5.469 1.00 0.00 N ATOM 1251 CA SER A 76 1.642 -9.167 6.357 1.00 0.00 C ATOM 1252 C SER A 76 2.319 -10.360 5.683 1.00 0.00 C ATOM 1253 O SER A 76 3.014 -11.136 6.339 1.00 0.00 O ATOM 1254 CB SER A 76 0.223 -9.555 6.783 1.00 0.00 C ATOM 1255 OG SER A 76 0.199 -9.987 8.134 1.00 0.00 O ATOM 0 H SER A 76 0.692 -7.741 5.140 1.00 0.00 H new ATOM 0 HA SER A 76 2.215 -8.892 7.243 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.444 -8.702 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.150 -10.349 6.137 1.00 0.00 H new ATOM 0 HG SER A 76 -0.717 -10.228 8.384 1.00 0.00 H new ATOM 1261 N ASN A 77 2.112 -10.503 4.370 1.00 0.00 N ATOM 1262 CA ASN A 77 2.702 -11.610 3.615 1.00 0.00 C ATOM 1263 C ASN A 77 4.226 -11.570 3.689 1.00 0.00 C ATOM 1264 O ASN A 77 4.866 -12.588 3.952 1.00 0.00 O ATOM 1265 CB ASN A 77 2.261 -11.562 2.148 1.00 0.00 C ATOM 1266 CG ASN A 77 0.767 -11.770 1.973 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.099 -12.328 2.843 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.233 -11.323 0.840 1.00 0.00 N ATOM 0 H ASN A 77 1.542 -9.868 3.811 1.00 0.00 H new ATOM 0 HA ASN A 77 2.351 -12.539 4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.541 -10.599 1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.797 -12.327 1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.766 -11.437 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.822 -10.866 0.144 1.00 0.00 H new ATOM 1275 N CYS A 78 4.802 -10.391 3.458 1.00 0.00 N ATOM 1276 CA CYS A 78 6.254 -10.227 3.502 1.00 0.00 C ATOM 1277 C CYS A 78 6.788 -10.384 4.926 1.00 0.00 C ATOM 1278 O CYS A 78 7.853 -10.965 5.133 1.00 0.00 O ATOM 1279 CB CYS A 78 6.660 -8.861 2.938 1.00 0.00 C ATOM 1280 SG CYS A 78 7.864 -8.952 1.593 1.00 0.00 S ATOM 0 H CYS A 78 4.287 -9.538 3.239 1.00 0.00 H new ATOM 0 HA CYS A 78 6.693 -11.010 2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.768 -8.347 2.580 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.075 -8.255 3.744 1.00 0.00 H new ATOM 0 HG CYS A 78 8.144 -7.752 1.180 1.00 0.00 H new ATOM 1286 N TYR A 79 6.043 -9.863 5.903 1.00 0.00 N ATOM 1287 CA TYR A 79 6.446 -9.946 7.305 1.00 0.00 C ATOM 1288 C TYR A 79 6.415 -11.391 7.805 1.00 0.00 C ATOM 1289 O TYR A 79 7.418 -11.901 8.306 1.00 0.00 O ATOM 1290 CB TYR A 79 5.534 -9.070 8.171 1.00 0.00 C ATOM 1291 CG TYR A 79 6.280 -8.069 9.025 1.00 0.00 C ATOM 1292 CD1 TYR A 79 7.111 -7.114 8.450 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.149 -8.077 10.408 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.791 -6.199 9.229 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.826 -7.165 11.193 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.644 -6.228 10.600 1.00 0.00 C ATOM 1297 OH TYR A 79 8.319 -5.317 11.379 1.00 0.00 O ATOM 0 H TYR A 79 5.158 -9.380 5.748 1.00 0.00 H new ATOM 0 HA TYR A 79 7.471 -9.582 7.383 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.839 -8.535 7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.937 -9.712 8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.226 -7.087 7.377 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.507 -8.808 10.877 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.434 -5.465 8.767 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.715 -7.186 12.267 1.00 0.00 H new ATOM 0 HH TYR A 79 8.106 -5.472 12.323 1.00 0.00 H new ATOM 1307 N LYS A 80 5.260 -12.044 7.665 1.00 0.00 N ATOM 1308 CA LYS A 80 5.099 -13.431 8.104 1.00 0.00 C ATOM 1309 C LYS A 80 6.050 -14.365 7.353 1.00 0.00 C ATOM 1310 O LYS A 80 6.557 -15.331 7.925 1.00 0.00 O ATOM 1311 CB LYS A 80 3.650 -13.893 7.907 1.00 0.00 C ATOM 1312 CG LYS A 80 3.141 -14.804 9.017 1.00 0.00 C ATOM 1313 CD LYS A 80 2.702 -16.157 8.475 1.00 0.00 C ATOM 1314 CE LYS A 80 1.424 -16.643 9.145 1.00 0.00 C ATOM 1315 NZ LYS A 80 0.957 -17.942 8.580 1.00 0.00 N ATOM 0 H LYS A 80 4.422 -11.635 7.251 1.00 0.00 H new ATOM 0 HA LYS A 80 5.345 -13.472 9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.004 -13.017 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.571 -14.417 6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.926 -14.946 9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.304 -14.326 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.544 -16.084 7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.496 -16.887 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.595 -16.754 10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.643 -15.893 9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.085 -18.237 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.769 -17.831 7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.692 -18.665 8.719 1.00 0.00 H new ATOM 1329 N TYR A 81 6.290 -14.071 6.072 1.00 0.00 N ATOM 1330 CA TYR A 81 7.183 -14.886 5.250 1.00 0.00 C ATOM 1331 C TYR A 81 8.643 -14.674 5.654 1.00 0.00 C ATOM 1332 O TYR A 81 9.315 -15.613 6.081 1.00 0.00 O ATOM 1333 CB TYR A 81 6.994 -14.556 3.764 1.00 0.00 C ATOM 1334 CG TYR A 81 7.908 -15.333 2.839 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.532 -16.573 2.339 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.146 -14.823 2.467 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.365 -17.285 1.498 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.984 -15.528 1.625 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.590 -16.758 1.144 1.00 0.00 C ATOM 1340 OH TYR A 81 10.425 -17.464 0.310 1.00 0.00 O ATOM 0 H TYR A 81 5.878 -13.276 5.584 1.00 0.00 H new ATOM 0 HA TYR A 81 6.930 -15.933 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.959 -14.755 3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.164 -13.490 3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.573 -16.987 2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.458 -13.860 2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.059 -18.249 1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.943 -15.117 1.345 1.00 0.00 H new ATOM 0 HH TYR A 81 11.247 -16.952 0.160 1.00 0.00 H new ATOM 1350 N ASN A 82 9.128 -13.438 5.516 1.00 0.00 N ATOM 1351 CA ASN A 82 10.509 -13.111 5.867 1.00 0.00 C ATOM 1352 C ASN A 82 10.560 -12.189 7.087 1.00 0.00 C ATOM 1353 O ASN A 82 10.329 -10.984 6.971 1.00 0.00 O ATOM 1354 CB ASN A 82 11.223 -12.457 4.678 1.00 0.00 C ATOM 1355 CG ASN A 82 12.307 -13.345 4.096 1.00 0.00 C ATOM 1356 OD1 ASN A 82 12.208 -13.794 2.955 1.00 0.00 O ATOM 1357 ND2 ASN A 82 13.353 -13.602 4.876 1.00 0.00 N ATOM 0 H ASN A 82 8.585 -12.649 5.164 1.00 0.00 H new ATOM 0 HA ASN A 82 11.022 -14.039 6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.493 -12.223 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.663 -11.512 4.997 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.112 -14.191 4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.396 -13.210 5.817 1.00 0.00 H new ATOM 1364 N PRO A 83 10.861 -12.753 8.279 1.00 0.00 N ATOM 1365 CA PRO A 83 10.942 -11.984 9.533 1.00 0.00 C ATOM 1366 C PRO A 83 11.893 -10.790 9.434 1.00 0.00 C ATOM 1367 O PRO A 83 12.702 -10.705 8.506 1.00 0.00 O ATOM 1368 CB PRO A 83 11.480 -13.002 10.543 1.00 0.00 C ATOM 1369 CG PRO A 83 11.087 -14.328 9.992 1.00 0.00 C ATOM 1370 CD PRO A 83 11.143 -14.186 8.497 1.00 0.00 C ATOM 0 HA PRO A 83 9.976 -11.557 9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.562 -12.922 10.647 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.052 -12.842 11.532 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.764 -15.110 10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.086 -14.606 10.321 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.119 -14.468 8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.405 -14.820 8.005 1.00 0.00 H new ATOM 1378 N PRO A 84 11.809 -9.845 10.395 1.00 0.00 N ATOM 1379 CA PRO A 84 12.665 -8.656 10.409 1.00 0.00 C ATOM 1380 C PRO A 84 14.146 -9.008 10.423 1.00 0.00 C ATOM 1381 O PRO A 84 14.675 -9.516 11.414 1.00 0.00 O ATOM 1382 CB PRO A 84 12.272 -7.918 11.689 1.00 0.00 C ATOM 1383 CG PRO A 84 11.509 -8.906 12.507 1.00 0.00 C ATOM 1384 CD PRO A 84 10.878 -9.862 11.535 1.00 0.00 C ATOM 0 HA PRO A 84 12.524 -8.055 9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.154 -7.565 12.224 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.663 -7.042 11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.169 -9.432 13.196 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.750 -8.408 13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.779 -10.861 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.879 -9.539 11.244 1.00 0.00 H new ATOM 1392 N ASP A 85 14.797 -8.730 9.304 1.00 0.00 N ATOM 1393 CA ASP A 85 16.223 -9.003 9.133 1.00 0.00 C ATOM 1394 C ASP A 85 16.705 -8.497 7.774 1.00 0.00 C ATOM 1395 O ASP A 85 17.744 -7.842 7.676 1.00 0.00 O ATOM 1396 CB ASP A 85 16.501 -10.509 9.252 1.00 0.00 C ATOM 1397 CG ASP A 85 17.830 -10.813 9.924 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.804 -10.065 9.693 1.00 0.00 O ATOM 1399 OD2 ASP A 85 17.897 -11.808 10.676 1.00 0.00 O ATOM 0 H ASP A 85 14.355 -8.309 8.487 1.00 0.00 H new ATOM 0 HA ASP A 85 16.766 -8.479 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.697 -10.978 9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.492 -10.955 8.257 1.00 0.00 H new ATOM 1404 N HIS A 86 15.939 -8.813 6.730 1.00 0.00 N ATOM 1405 CA HIS A 86 16.272 -8.403 5.367 1.00 0.00 C ATOM 1406 C HIS A 86 15.879 -6.947 5.106 1.00 0.00 C ATOM 1407 O HIS A 86 15.213 -6.313 5.926 1.00 0.00 O ATOM 1408 CB HIS A 86 15.564 -9.309 4.355 1.00 0.00 C ATOM 1409 CG HIS A 86 16.023 -10.738 4.369 1.00 0.00 C ATOM 1410 ND1 HIS A 86 16.947 -11.237 5.268 1.00 0.00 N ATOM 1411 CD2 HIS A 86 15.673 -11.779 3.579 1.00 0.00 C ATOM 1412 CE1 HIS A 86 17.141 -12.522 5.027 1.00 0.00 C ATOM 1413 NE2 HIS A 86 16.380 -12.874 4.008 1.00 0.00 N ATOM 0 H HIS A 86 15.078 -9.355 6.804 1.00 0.00 H new ATOM 0 HA HIS A 86 17.352 -8.494 5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 86 14.492 -9.283 4.551 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.715 -8.902 3.355 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.967 -11.753 2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 86 17.809 -13.173 5.571 1.00 0.00 H new ATOM 0 HE2 HIS A 86 16.326 -13.809 3.604 1.00 0.00 H new ATOM 1422 N ASP A 87 16.292 -6.430 3.947 1.00 0.00 N ATOM 1423 CA ASP A 87 15.983 -5.055 3.560 1.00 0.00 C ATOM 1424 C ASP A 87 14.542 -4.925 3.061 1.00 0.00 C ATOM 1425 O ASP A 87 13.886 -3.910 3.303 1.00 0.00 O ATOM 1426 CB ASP A 87 16.951 -4.577 2.475 1.00 0.00 C ATOM 1427 CG ASP A 87 17.037 -3.064 2.401 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.496 -2.446 3.385 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.645 -2.497 1.360 1.00 0.00 O ATOM 0 H ASP A 87 16.842 -6.945 3.260 1.00 0.00 H new ATOM 0 HA ASP A 87 16.095 -4.430 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.942 -4.985 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.631 -4.968 1.509 1.00 0.00 H new ATOM 1434 N VAL A 88 14.054 -5.954 2.361 1.00 0.00 N ATOM 1435 CA VAL A 88 12.690 -5.945 1.826 1.00 0.00 C ATOM 1436 C VAL A 88 11.656 -5.858 2.949 1.00 0.00 C ATOM 1437 O VAL A 88 10.756 -5.018 2.907 1.00 0.00 O ATOM 1438 CB VAL A 88 12.396 -7.197 0.965 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.035 -7.075 0.291 1.00 0.00 C ATOM 1440 CG2 VAL A 88 13.492 -7.415 -0.074 1.00 0.00 C ATOM 0 H VAL A 88 14.582 -6.801 2.152 1.00 0.00 H new ATOM 0 HA VAL A 88 12.615 -5.061 1.193 1.00 0.00 H new ATOM 0 HB VAL A 88 12.379 -8.065 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.846 -7.964 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.260 -6.979 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.025 -6.194 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.261 -8.301 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.550 -6.546 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.449 -7.554 0.430 1.00 0.00 H new ATOM 1450 N VAL A 89 11.791 -6.729 3.951 1.00 0.00 N ATOM 1451 CA VAL A 89 10.866 -6.745 5.083 1.00 0.00 C ATOM 1452 C VAL A 89 10.900 -5.416 5.845 1.00 0.00 C ATOM 1453 O VAL A 89 9.860 -4.919 6.282 1.00 0.00 O ATOM 1454 CB VAL A 89 11.170 -7.909 6.055 1.00 0.00 C ATOM 1455 CG1 VAL A 89 12.559 -7.770 6.662 1.00 0.00 C ATOM 1456 CG2 VAL A 89 10.108 -7.988 7.143 1.00 0.00 C ATOM 0 H VAL A 89 12.530 -7.430 4.001 1.00 0.00 H new ATOM 0 HA VAL A 89 9.868 -6.892 4.671 1.00 0.00 H new ATOM 0 HB VAL A 89 11.148 -8.838 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.744 -8.602 7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.305 -7.776 5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.623 -6.832 7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.339 -8.813 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.092 -7.054 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.132 -8.154 6.687 1.00 0.00 H new ATOM 1466 N ALA A 90 12.097 -4.840 5.992 1.00 0.00 N ATOM 1467 CA ALA A 90 12.255 -3.564 6.691 1.00 0.00 C ATOM 1468 C ALA A 90 11.522 -2.443 5.959 1.00 0.00 C ATOM 1469 O ALA A 90 10.923 -1.573 6.590 1.00 0.00 O ATOM 1470 CB ALA A 90 13.728 -3.213 6.851 1.00 0.00 C ATOM 0 H ALA A 90 12.967 -5.237 5.637 1.00 0.00 H new ATOM 0 HA ALA A 90 11.814 -3.672 7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.820 -2.261 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.227 -3.992 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.192 -3.134 5.868 1.00 0.00 H new ATOM 1476 N MET A 91 11.570 -2.472 4.624 1.00 0.00 N ATOM 1477 CA MET A 91 10.902 -1.457 3.809 1.00 0.00 C ATOM 1478 C MET A 91 9.393 -1.452 4.066 1.00 0.00 C ATOM 1479 O MET A 91 8.763 -0.394 4.073 1.00 0.00 O ATOM 1480 CB MET A 91 11.182 -1.693 2.321 1.00 0.00 C ATOM 1481 CG MET A 91 12.553 -1.212 1.874 1.00 0.00 C ATOM 1482 SD MET A 91 12.731 -1.193 0.081 1.00 0.00 S ATOM 1483 CE MET A 91 14.366 -0.484 -0.085 1.00 0.00 C ATOM 0 H MET A 91 12.063 -3.186 4.087 1.00 0.00 H new ATOM 0 HA MET A 91 11.302 -0.483 4.093 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.093 -2.758 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.418 -1.185 1.732 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.726 -0.209 2.263 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.318 -1.858 2.304 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.372 0.228 -0.911 1.00 0.00 H new ATOM 0 HE2 MET A 91 14.636 0.029 0.838 1.00 0.00 H new ATOM 0 HE3 MET A 91 15.088 -1.276 -0.284 1.00 0.00 H new ATOM 1493 N ALA A 92 8.822 -2.640 4.287 1.00 0.00 N ATOM 1494 CA ALA A 92 7.390 -2.769 4.559 1.00 0.00 C ATOM 1495 C ALA A 92 7.001 -2.012 5.830 1.00 0.00 C ATOM 1496 O ALA A 92 5.944 -1.385 5.887 1.00 0.00 O ATOM 1497 CB ALA A 92 7.003 -4.237 4.677 1.00 0.00 C ATOM 0 H ALA A 92 9.330 -3.524 4.283 1.00 0.00 H new ATOM 0 HA ALA A 92 6.846 -2.328 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.935 -4.317 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.235 -4.751 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.562 -4.696 5.492 1.00 0.00 H new ATOM 1503 N ARG A 93 7.863 -2.070 6.848 1.00 0.00 N ATOM 1504 CA ARG A 93 7.598 -1.383 8.113 1.00 0.00 C ATOM 1505 C ARG A 93 7.636 0.136 7.937 1.00 0.00 C ATOM 1506 O ARG A 93 6.820 0.851 8.518 1.00 0.00 O ATOM 1507 CB ARG A 93 8.603 -1.808 9.188 1.00 0.00 C ATOM 1508 CG ARG A 93 8.049 -1.712 10.602 1.00 0.00 C ATOM 1509 CD ARG A 93 9.156 -1.732 11.646 1.00 0.00 C ATOM 1510 NE ARG A 93 8.836 -0.890 12.800 1.00 0.00 N ATOM 1511 CZ ARG A 93 9.446 -0.979 13.986 1.00 0.00 C ATOM 1512 NH1 ARG A 93 10.416 -1.869 14.185 1.00 0.00 N ATOM 1513 NH2 ARG A 93 9.086 -0.173 14.978 1.00 0.00 N ATOM 0 H ARG A 93 8.745 -2.582 6.821 1.00 0.00 H new ATOM 0 HA ARG A 93 6.597 -1.669 8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.916 -2.834 8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.493 -1.183 9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.470 -0.794 10.704 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.365 -2.542 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.322 -2.756 11.979 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.087 -1.389 11.194 1.00 0.00 H new ATOM 0 HE ARG A 93 8.101 -0.191 12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.700 -2.491 13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.875 -1.929 15.094 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.345 0.513 14.834 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.551 -0.240 15.884 1.00 0.00 H new ATOM 1527 N LYS A 94 8.584 0.623 7.133 1.00 0.00 N ATOM 1528 CA LYS A 94 8.717 2.058 6.885 1.00 0.00 C ATOM 1529 C LYS A 94 7.442 2.625 6.260 1.00 0.00 C ATOM 1530 O LYS A 94 7.032 3.742 6.577 1.00 0.00 O ATOM 1531 CB LYS A 94 9.916 2.338 5.972 1.00 0.00 C ATOM 1532 CG LYS A 94 11.209 2.613 6.725 1.00 0.00 C ATOM 1533 CD LYS A 94 11.598 1.444 7.616 1.00 0.00 C ATOM 1534 CE LYS A 94 13.073 1.489 7.980 1.00 0.00 C ATOM 1535 NZ LYS A 94 13.709 0.144 7.904 1.00 0.00 N ATOM 0 H LYS A 94 9.268 0.046 6.644 1.00 0.00 H new ATOM 0 HA LYS A 94 8.881 2.549 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.065 1.484 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.686 3.194 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.010 2.811 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.093 3.511 7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.997 1.462 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.376 0.507 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.591 2.173 7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.185 1.886 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.602 0.152 8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.068 -0.566 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.901 -0.093 6.910 1.00 0.00 H new ATOM 1549 N LEU A 95 6.817 1.847 5.375 1.00 0.00 N ATOM 1550 CA LEU A 95 5.585 2.273 4.713 1.00 0.00 C ATOM 1551 C LEU A 95 4.382 2.148 5.652 1.00 0.00 C ATOM 1552 O LEU A 95 3.478 2.983 5.623 1.00 0.00 O ATOM 1553 CB LEU A 95 5.349 1.455 3.439 1.00 0.00 C ATOM 1554 CG LEU A 95 6.258 1.814 2.259 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.592 0.575 1.441 1.00 0.00 C ATOM 1556 CD2 LEU A 95 5.602 2.874 1.384 1.00 0.00 C ATOM 0 H LEU A 95 7.144 0.920 5.101 1.00 0.00 H new ATOM 0 HA LEU A 95 5.697 3.323 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.484 0.399 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.311 1.583 3.130 1.00 0.00 H new ATOM 0 HG LEU A 95 7.188 2.222 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.238 0.852 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.105 -0.151 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.672 0.135 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.261 3.117 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.656 2.493 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.419 3.771 1.975 1.00 0.00 H new ATOM 1568 N GLN A 96 4.379 1.103 6.486 1.00 0.00 N ATOM 1569 CA GLN A 96 3.286 0.877 7.435 1.00 0.00 C ATOM 1570 C GLN A 96 3.170 2.034 8.428 1.00 0.00 C ATOM 1571 O GLN A 96 2.065 2.485 8.736 1.00 0.00 O ATOM 1572 CB GLN A 96 3.490 -0.438 8.195 1.00 0.00 C ATOM 1573 CG GLN A 96 2.484 -1.518 7.832 1.00 0.00 C ATOM 1574 CD GLN A 96 1.223 -1.455 8.674 1.00 0.00 C ATOM 1575 OE1 GLN A 96 1.275 -1.564 9.899 1.00 0.00 O ATOM 1576 NE2 GLN A 96 0.079 -1.280 8.020 1.00 0.00 N ATOM 0 H GLN A 96 5.119 0.402 6.523 1.00 0.00 H new ATOM 0 HA GLN A 96 2.361 0.816 6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.495 -0.809 7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.428 -0.242 9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.218 -1.421 6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.948 -2.496 7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.081 -1.194 7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.800 -1.231 8.535 1.00 0.00 H new ATOM 1585 N ASP A 97 4.314 2.508 8.926 1.00 0.00 N ATOM 1586 CA ASP A 97 4.338 3.612 9.887 1.00 0.00 C ATOM 1587 C ASP A 97 3.672 4.861 9.312 1.00 0.00 C ATOM 1588 O ASP A 97 2.928 5.554 10.008 1.00 0.00 O ATOM 1589 CB ASP A 97 5.779 3.935 10.296 1.00 0.00 C ATOM 1590 CG ASP A 97 6.029 3.704 11.774 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.355 4.355 12.601 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.901 2.872 12.103 1.00 0.00 O ATOM 0 H ASP A 97 5.235 2.145 8.680 1.00 0.00 H new ATOM 0 HA ASP A 97 3.777 3.297 10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.465 3.319 9.714 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.998 4.974 10.052 1.00 0.00 H new ATOM 1597 N VAL A 98 3.945 5.143 8.040 1.00 0.00 N ATOM 1598 CA VAL A 98 3.374 6.307 7.371 1.00 0.00 C ATOM 1599 C VAL A 98 1.871 6.134 7.155 1.00 0.00 C ATOM 1600 O VAL A 98 1.094 7.066 7.377 1.00 0.00 O ATOM 1601 CB VAL A 98 4.062 6.575 6.015 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.553 7.870 5.402 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.576 6.613 6.179 1.00 0.00 C ATOM 0 H VAL A 98 4.559 4.580 7.452 1.00 0.00 H new ATOM 0 HA VAL A 98 3.544 7.164 8.023 1.00 0.00 H new ATOM 0 HB VAL A 98 3.814 5.758 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.050 8.041 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.477 7.799 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.766 8.700 6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.042 6.803 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.847 7.407 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.924 5.656 6.568 1.00 0.00 H new ATOM 1613 N PHE A 99 1.467 4.935 6.730 1.00 0.00 N ATOM 1614 CA PHE A 99 0.055 4.634 6.495 1.00 0.00 C ATOM 1615 C PHE A 99 -0.768 4.882 7.759 1.00 0.00 C ATOM 1616 O PHE A 99 -1.850 5.471 7.699 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.108 3.179 6.040 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.413 2.897 5.343 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -2.586 2.742 6.067 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -1.464 2.780 3.963 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -3.782 2.477 5.427 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -2.657 2.515 3.318 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.818 2.364 4.051 1.00 0.00 C ATOM 0 H PHE A 99 2.099 4.157 6.542 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.310 5.295 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.713 2.925 5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.023 2.526 6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.564 2.829 7.143 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.560 2.897 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.688 2.358 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.682 2.426 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.752 2.158 3.549 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.245 4.434 8.903 1.00 0.00 N ATOM 1634 CA GLU A 100 -0.927 4.610 10.184 1.00 0.00 C ATOM 1635 C GLU A 100 -1.069 6.092 10.532 1.00 0.00 C ATOM 1636 O GLU A 100 -2.111 6.519 11.031 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.179 3.881 11.307 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.680 2.467 11.560 1.00 0.00 C ATOM 1639 CD GLU A 100 -2.124 2.434 12.026 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -2.356 2.560 13.247 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -3.021 2.287 11.169 1.00 0.00 O ATOM 0 H GLU A 100 0.649 3.947 8.967 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.923 4.178 10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.882 3.842 11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.270 4.459 12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.584 1.882 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.049 1.991 12.310 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.020 6.875 10.262 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.042 8.310 10.546 1.00 0.00 C ATOM 1650 C PHE A 101 -1.196 8.995 9.813 1.00 0.00 C ATOM 1651 O PHE A 101 -1.846 9.885 10.362 1.00 0.00 O ATOM 1652 CB PHE A 101 1.289 8.963 10.152 1.00 0.00 C ATOM 1653 CG PHE A 101 2.090 9.459 11.326 1.00 0.00 C ATOM 1654 CD1 PHE A 101 2.328 8.639 12.419 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.600 10.749 11.339 1.00 0.00 C ATOM 1656 CE1 PHE A 101 3.061 9.095 13.499 1.00 0.00 C ATOM 1657 CE2 PHE A 101 3.333 11.209 12.417 1.00 0.00 C ATOM 1658 CZ PHE A 101 3.563 10.382 13.498 1.00 0.00 C ATOM 0 H PHE A 101 0.850 6.540 9.849 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.190 8.434 11.619 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.886 8.242 9.594 1.00 0.00 H new ATOM 0 HB3 PHE A 101 1.089 9.798 9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.936 7.633 12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.422 11.402 10.497 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.241 8.445 14.343 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.726 12.215 12.413 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.134 10.740 14.341 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.454 8.566 8.574 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.542 9.133 7.776 1.00 0.00 C ATOM 1670 C ARG A 102 -3.902 8.682 8.310 1.00 0.00 C ATOM 1671 O ARG A 102 -4.879 9.429 8.240 1.00 0.00 O ATOM 1672 CB ARG A 102 -2.402 8.733 6.301 1.00 0.00 C ATOM 1673 CG ARG A 102 -1.975 9.875 5.388 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.629 10.450 5.802 1.00 0.00 C ATOM 1675 NE ARG A 102 0.370 10.347 4.736 1.00 0.00 N ATOM 1676 CZ ARG A 102 1.687 10.461 4.934 1.00 0.00 C ATOM 1677 NH1 ARG A 102 2.171 10.683 6.154 1.00 0.00 N ATOM 1678 NH2 ARG A 102 2.522 10.353 3.906 1.00 0.00 N ATOM 0 H ARG A 102 -0.926 7.831 8.104 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.479 10.218 7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.674 7.926 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.355 8.338 5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.918 9.518 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.730 10.661 5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.753 11.496 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.269 9.925 6.687 1.00 0.00 H new ATOM 0 HE ARG A 102 0.041 10.178 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.535 10.767 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.177 10.769 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.158 10.184 2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.527 10.440 4.054 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.959 7.459 8.850 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.204 6.918 9.401 1.00 0.00 C ATOM 1694 C TYR A 103 -5.746 7.800 10.529 1.00 0.00 C ATOM 1695 O TYR A 103 -6.953 7.832 10.768 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.997 5.490 9.912 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.999 4.500 9.357 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -5.833 3.950 8.091 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -7.112 4.117 10.097 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -6.745 3.048 7.579 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -8.029 3.214 9.591 1.00 0.00 C ATOM 1702 CZ TYR A 103 -7.841 2.683 8.332 1.00 0.00 C ATOM 1703 OH TYR A 103 -8.753 1.783 7.824 1.00 0.00 O ATOM 0 H TYR A 103 -3.160 6.828 8.916 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.937 6.904 8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.991 5.161 9.652 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.061 5.489 11.000 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.976 4.233 7.498 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.263 4.531 11.083 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -6.600 2.630 6.594 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.888 2.926 10.179 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.465 1.633 8.481 1.00 0.00 H new ATOM 1713 N ALA A 104 -4.853 8.520 11.215 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.257 9.407 12.307 1.00 0.00 C ATOM 1715 C ALA A 104 -6.234 10.479 11.817 1.00 0.00 C ATOM 1716 O ALA A 104 -7.126 10.899 12.555 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.035 10.058 12.942 1.00 0.00 C ATOM 0 H ALA A 104 -3.849 8.505 11.033 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.766 8.803 13.058 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.352 10.715 13.752 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.376 9.286 13.338 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.501 10.640 12.191 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.061 10.911 10.565 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.928 11.929 9.973 1.00 0.00 C ATOM 1725 C LYS A 105 -8.059 11.306 9.137 1.00 0.00 C ATOM 1726 O LYS A 105 -8.874 12.030 8.564 1.00 0.00 O ATOM 1727 CB LYS A 105 -6.106 12.885 9.102 1.00 0.00 C ATOM 1728 CG LYS A 105 -6.390 14.354 9.374 1.00 0.00 C ATOM 1729 CD LYS A 105 -6.256 15.195 8.114 1.00 0.00 C ATOM 1730 CE LYS A 105 -7.611 15.473 7.478 1.00 0.00 C ATOM 1731 NZ LYS A 105 -7.710 16.865 6.952 1.00 0.00 N ATOM 0 H LYS A 105 -5.328 10.571 9.943 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.385 12.483 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.046 12.692 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.310 12.673 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.397 14.461 9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.701 14.723 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.767 16.138 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.616 14.679 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.781 14.766 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.397 15.308 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.649 17.010 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.574 17.541 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.977 17.016 6.230 1.00 0.00 H new ATOM 1745 N MET A 106 -8.105 9.969 9.067 1.00 0.00 N ATOM 1746 CA MET A 106 -9.139 9.270 8.298 1.00 0.00 C ATOM 1747 C MET A 106 -10.547 9.748 8.677 1.00 0.00 C ATOM 1748 O MET A 106 -11.308 10.179 7.808 1.00 0.00 O ATOM 1749 CB MET A 106 -9.028 7.752 8.497 1.00 0.00 C ATOM 1750 CG MET A 106 -9.301 6.949 7.235 1.00 0.00 C ATOM 1751 SD MET A 106 -9.927 5.293 7.580 1.00 0.00 S ATOM 1752 CE MET A 106 -11.469 5.315 6.669 1.00 0.00 C ATOM 0 H MET A 106 -7.439 9.352 9.533 1.00 0.00 H new ATOM 0 HA MET A 106 -8.976 9.504 7.246 1.00 0.00 H new ATOM 0 HB2 MET A 106 -8.028 7.514 8.859 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.730 7.444 9.272 1.00 0.00 H new ATOM 0 HG2 MET A 106 -10.023 7.484 6.619 1.00 0.00 H new ATOM 0 HG3 MET A 106 -8.382 6.871 6.654 1.00 0.00 H new ATOM 0 HE1 MET A 106 -11.974 4.356 6.785 1.00 0.00 H new ATOM 0 HE2 MET A 106 -12.107 6.110 7.053 1.00 0.00 H new ATOM 0 HE3 MET A 106 -11.265 5.492 5.613 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.918 9.678 9.977 1.00 0.00 N ATOM 1763 CA PRO A 107 -12.244 10.107 10.446 1.00 0.00 C ATOM 1764 C PRO A 107 -12.587 11.533 10.011 1.00 0.00 C ATOM 1765 O PRO A 107 -11.878 12.483 10.349 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.145 10.020 11.978 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.692 9.861 12.281 1.00 0.00 C ATOM 1768 CD PRO A 107 -10.090 9.178 11.089 1.00 0.00 C ATOM 0 HA PRO A 107 -13.035 9.485 10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.547 10.918 12.448 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.719 9.176 12.360 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.222 10.829 12.454 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.545 9.269 13.185 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.039 9.439 10.961 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -10.141 8.093 11.176 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.678 11.672 9.255 1.00 0.00 N ATOM 1777 CA ASP A 108 -14.117 12.979 8.765 1.00 0.00 C ATOM 1778 C ASP A 108 -14.735 13.818 9.886 1.00 0.00 C ATOM 1779 O ASP A 108 -14.296 14.940 10.140 1.00 0.00 O ATOM 1780 CB ASP A 108 -15.121 12.808 7.620 1.00 0.00 C ATOM 1781 CG ASP A 108 -14.935 13.839 6.523 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -15.249 15.025 6.760 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -14.476 13.459 5.425 1.00 0.00 O ATOM 0 H ASP A 108 -14.274 10.895 8.969 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.239 13.507 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.017 11.809 7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -16.134 12.882 8.016 1.00 0.00 H new