USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -169:sc= 0 (180deg=-0.128) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -37:sc= 0.965 USER MOD Single : A 8 CYS SG : rot 77:sc= 0.856 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 1.6 (180deg=1.58) USER MOD Single : A 17 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 57:sc= 1.3 USER MOD Single : A 35 GLN : amide:sc= -0.0522 X(o=-0.052,f=-0.28) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 48 SER OG : rot 75:sc= 0.074 USER MOD Single : A 50 THR OG1 : rot 108:sc= 0.863 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.921 (180deg=0.92) USER MOD Single : A 64 MET CE :methyl 177:sc= -1.45 (180deg=-1.47) USER MOD Single : A 65 MET CE :methyl -165:sc= -0.01 (180deg=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.363 1.611 5.860 1.00 0.00 N ATOM 2 CA SER A 1 -15.197 0.914 5.331 1.00 0.00 C ATOM 3 C SER A 1 -13.905 1.605 5.749 1.00 0.00 C ATOM 4 O SER A 1 -12.918 0.949 6.081 1.00 0.00 O ATOM 5 CB SER A 1 -15.283 0.826 3.819 1.00 0.00 C ATOM 6 OG SER A 1 -16.427 0.136 3.396 1.00 0.00 O ATOM 0 H1 SER A 1 -17.211 1.024 5.721 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.229 1.791 6.875 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.483 2.516 5.361 1.00 0.00 H new ATOM 0 HA SER A 1 -15.187 -0.094 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.290 1.831 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.395 0.325 3.434 1.00 0.00 H new ATOM 0 HG SER A 1 -16.446 0.103 2.417 1.00 0.00 H new ATOM 14 N GLU A 2 -13.919 2.934 5.731 1.00 0.00 N ATOM 15 CA GLU A 2 -12.723 3.716 6.024 1.00 0.00 C ATOM 16 C GLU A 2 -12.247 3.481 7.451 1.00 0.00 C ATOM 17 O GLU A 2 -11.057 3.588 7.744 1.00 0.00 O ATOM 18 CB GLU A 2 -12.989 5.206 5.798 1.00 0.00 C ATOM 19 CG GLU A 2 -13.170 5.597 4.338 1.00 0.00 C ATOM 20 CD GLU A 2 -13.517 7.054 4.202 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.673 7.704 5.208 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.514 7.544 3.097 1.00 0.00 O ATOM 0 H GLU A 2 -14.745 3.492 5.517 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.936 3.389 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.884 5.491 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.160 5.778 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.254 5.386 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.958 4.990 3.892 1.00 0.00 H new ATOM 29 N GLU A 3 -13.183 3.159 8.338 1.00 0.00 N ATOM 30 CA GLU A 3 -12.854 2.848 9.723 1.00 0.00 C ATOM 31 C GLU A 3 -11.993 1.595 9.817 1.00 0.00 C ATOM 32 O GLU A 3 -11.080 1.516 10.638 1.00 0.00 O ATOM 33 CB GLU A 3 -14.128 2.676 10.552 1.00 0.00 C ATOM 34 CG GLU A 3 -14.900 3.965 10.795 1.00 0.00 C ATOM 35 CD GLU A 3 -16.195 3.700 11.511 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.502 2.554 11.739 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.822 4.644 11.931 1.00 0.00 O ATOM 0 H GLU A 3 -14.178 3.107 8.121 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.282 3.684 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.782 1.965 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.864 2.238 11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.291 4.651 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.102 4.455 9.843 1.00 0.00 H new ATOM 44 N GLU A 4 -12.293 0.613 8.971 1.00 0.00 N ATOM 45 CA GLU A 4 -11.502 -0.610 8.907 1.00 0.00 C ATOM 46 C GLU A 4 -10.202 -0.384 8.144 1.00 0.00 C ATOM 47 O GLU A 4 -9.179 -0.998 8.448 1.00 0.00 O ATOM 48 CB GLU A 4 -12.307 -1.735 8.252 1.00 0.00 C ATOM 49 CG GLU A 4 -13.491 -2.220 9.076 1.00 0.00 C ATOM 50 CD GLU A 4 -14.275 -3.269 8.339 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.925 -3.572 7.223 1.00 0.00 O ATOM 52 OE2 GLU A 4 -15.155 -3.851 8.930 1.00 0.00 O ATOM 0 H GLU A 4 -13.078 0.641 8.321 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.253 -0.901 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.670 -1.390 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.643 -2.578 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.136 -2.627 10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.141 -1.378 9.314 1.00 0.00 H new ATOM 59 N LEU A 5 -10.249 0.499 7.153 1.00 0.00 N ATOM 60 CA LEU A 5 -9.077 0.800 6.339 1.00 0.00 C ATOM 61 C LEU A 5 -8.063 1.626 7.118 1.00 0.00 C ATOM 62 O LEU A 5 -6.867 1.594 6.827 1.00 0.00 O ATOM 63 CB LEU A 5 -9.495 1.536 5.060 1.00 0.00 C ATOM 64 CG LEU A 5 -10.311 0.703 4.064 1.00 0.00 C ATOM 65 CD1 LEU A 5 -10.762 1.575 2.899 1.00 0.00 C ATOM 66 CD2 LEU A 5 -9.472 -0.465 3.570 1.00 0.00 C ATOM 0 H LEU A 5 -11.087 1.020 6.894 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.603 -0.143 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.079 2.413 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.597 1.897 4.558 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.199 0.311 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.341 0.974 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.380 2.391 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.889 1.984 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.053 -1.056 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.576 -0.087 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.185 -1.090 4.416 1.00 0.00 H new ATOM 78 N SER A 6 -8.547 2.365 8.111 1.00 0.00 N ATOM 79 CA SER A 6 -7.671 3.101 9.015 1.00 0.00 C ATOM 80 C SER A 6 -6.968 2.163 9.987 1.00 0.00 C ATOM 81 O SER A 6 -5.865 2.449 10.453 1.00 0.00 O ATOM 82 CB SER A 6 -8.464 4.149 9.772 1.00 0.00 C ATOM 83 OG SER A 6 -9.380 3.573 10.664 1.00 0.00 O ATOM 0 H SER A 6 -9.542 2.470 8.310 1.00 0.00 H new ATOM 0 HA SER A 6 -6.906 3.597 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.779 4.794 10.322 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.998 4.782 9.063 1.00 0.00 H new ATOM 0 HG SER A 6 -9.754 2.758 10.268 1.00 0.00 H new ATOM 89 N GLU A 7 -7.613 1.041 10.290 1.00 0.00 N ATOM 90 CA GLU A 7 -6.984 -0.017 11.071 1.00 0.00 C ATOM 91 C GLU A 7 -5.938 -0.761 10.251 1.00 0.00 C ATOM 92 O GLU A 7 -4.870 -1.106 10.755 1.00 0.00 O ATOM 93 CB GLU A 7 -8.037 -0.996 11.592 1.00 0.00 C ATOM 94 CG GLU A 7 -8.951 -0.424 12.668 1.00 0.00 C ATOM 95 CD GLU A 7 -10.049 -1.388 13.021 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.131 -2.420 12.400 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.738 -1.146 13.984 1.00 0.00 O ATOM 0 H GLU A 7 -8.572 0.841 10.006 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.483 0.449 11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.648 -1.333 10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.532 -1.875 11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.367 -0.193 13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.385 0.513 12.319 1.00 0.00 H new ATOM 104 N CYS A 8 -6.253 -1.006 8.983 1.00 0.00 N ATOM 105 CA CYS A 8 -5.310 -1.636 8.068 1.00 0.00 C ATOM 106 C CYS A 8 -4.090 -0.753 7.839 1.00 0.00 C ATOM 107 O CYS A 8 -2.956 -1.231 7.841 1.00 0.00 O ATOM 108 CB CYS A 8 -6.126 -1.772 6.782 1.00 0.00 C ATOM 109 SG CYS A 8 -7.463 -2.986 6.867 1.00 0.00 S ATOM 0 H CYS A 8 -7.155 -0.777 8.566 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.920 -2.583 8.441 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.550 -0.800 6.532 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.455 -2.046 5.968 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.458 -2.489 7.539 1.00 0.00 H new ATOM 115 N PHE A 9 -4.330 0.539 7.642 1.00 0.00 N ATOM 116 CA PHE A 9 -3.250 1.495 7.427 1.00 0.00 C ATOM 117 C PHE A 9 -2.236 1.444 8.562 1.00 0.00 C ATOM 118 O PHE A 9 -1.027 1.448 8.327 1.00 0.00 O ATOM 119 CB PHE A 9 -3.811 2.911 7.285 1.00 0.00 C ATOM 120 CG PHE A 9 -2.765 3.952 7.008 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.235 4.101 5.734 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.306 4.784 8.018 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.272 5.058 5.477 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.345 5.742 7.764 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.826 5.879 6.492 1.00 0.00 C ATOM 0 H PHE A 9 -5.264 0.949 7.627 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.740 1.222 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.544 2.922 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.340 3.176 8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.579 3.462 4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.705 4.681 9.016 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.868 5.163 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.999 6.384 8.560 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.073 6.627 6.292 1.00 0.00 H new ATOM 135 N ARG A 10 -2.735 1.396 9.792 1.00 0.00 N ATOM 136 CA ARG A 10 -1.872 1.318 10.966 1.00 0.00 C ATOM 137 C ARG A 10 -1.064 0.025 10.969 1.00 0.00 C ATOM 138 O ARG A 10 0.059 -0.014 11.470 1.00 0.00 O ATOM 139 CB ARG A 10 -2.650 1.492 12.262 1.00 0.00 C ATOM 140 CG ARG A 10 -3.157 2.902 12.518 1.00 0.00 C ATOM 141 CD ARG A 10 -3.962 3.047 13.757 1.00 0.00 C ATOM 142 NE ARG A 10 -4.430 4.400 14.018 1.00 0.00 N ATOM 143 CZ ARG A 10 -5.221 4.750 15.050 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.666 3.851 15.899 1.00 0.00 N ATOM 145 NH2 ARG A 10 -5.559 6.022 15.174 1.00 0.00 N ATOM 0 H ARG A 10 -3.733 1.410 10.003 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.171 2.150 10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.501 0.811 12.252 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.013 1.194 13.094 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.304 3.578 12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.761 3.218 11.667 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.825 2.384 13.694 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.364 2.713 14.605 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.138 5.135 13.374 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.413 2.870 15.782 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.264 4.134 16.675 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.222 6.708 14.498 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.157 6.318 15.945 1.00 0.00 H new ATOM 159 N ILE A 11 -1.644 -1.030 10.409 1.00 0.00 N ATOM 160 CA ILE A 11 -0.982 -2.328 10.354 1.00 0.00 C ATOM 161 C ILE A 11 0.141 -2.331 9.325 1.00 0.00 C ATOM 162 O ILE A 11 1.240 -2.818 9.593 1.00 0.00 O ATOM 163 CB ILE A 11 -1.976 -3.455 10.018 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.958 -3.663 11.175 1.00 0.00 C ATOM 165 CG2 ILE A 11 -1.233 -4.745 9.710 1.00 0.00 C ATOM 166 CD1 ILE A 11 -4.147 -4.525 10.819 1.00 0.00 C ATOM 0 H ILE A 11 -2.572 -1.012 9.986 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.563 -2.509 11.344 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.542 -3.165 9.133 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.428 -4.119 12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.315 -2.691 11.515 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.951 -5.531 9.475 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.572 -4.590 8.857 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.642 -5.041 10.577 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.796 -4.626 11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.702 -4.061 10.004 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.802 -5.511 10.507 1.00 0.00 H new ATOM 178 N PHE A 12 -0.141 -1.785 8.147 1.00 0.00 N ATOM 179 CA PHE A 12 0.773 -1.890 7.015 1.00 0.00 C ATOM 180 C PHE A 12 1.921 -0.896 7.141 1.00 0.00 C ATOM 181 O PHE A 12 3.010 -1.123 6.615 1.00 0.00 O ATOM 182 CB PHE A 12 0.023 -1.665 5.701 1.00 0.00 C ATOM 183 CG PHE A 12 -0.891 -2.795 5.323 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.381 -4.049 5.023 1.00 0.00 C ATOM 185 CD2 PHE A 12 -2.264 -2.607 5.268 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.220 -5.090 4.674 1.00 0.00 C ATOM 187 CE2 PHE A 12 -3.106 -3.647 4.921 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.584 -4.887 4.624 1.00 0.00 C ATOM 0 H PHE A 12 -0.996 -1.265 7.951 1.00 0.00 H new ATOM 0 HA PHE A 12 1.193 -2.896 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.561 -0.748 5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.748 -1.513 4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.686 -4.214 5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.680 -1.637 5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.809 -6.061 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.173 -3.487 4.883 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.242 -5.699 4.352 1.00 0.00 H new ATOM 198 N ASP A 13 1.671 0.204 7.841 1.00 0.00 N ATOM 199 CA ASP A 13 2.720 1.165 8.158 1.00 0.00 C ATOM 200 C ASP A 13 3.584 0.677 9.314 1.00 0.00 C ATOM 201 O ASP A 13 3.521 1.214 10.419 1.00 0.00 O ATOM 202 CB ASP A 13 2.113 2.530 8.497 1.00 0.00 C ATOM 203 CG ASP A 13 3.136 3.637 8.712 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.294 3.407 8.454 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.735 4.745 8.979 1.00 0.00 O ATOM 0 H ASP A 13 0.749 0.453 8.200 1.00 0.00 H new ATOM 0 HA ASP A 13 3.354 1.267 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.440 2.825 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.508 2.431 9.398 1.00 0.00 H new ATOM 210 N LYS A 14 4.390 -0.346 9.051 1.00 0.00 N ATOM 211 CA LYS A 14 5.200 -0.970 10.091 1.00 0.00 C ATOM 212 C LYS A 14 6.319 -0.044 10.549 1.00 0.00 C ATOM 213 O LYS A 14 6.824 -0.168 11.664 1.00 0.00 O ATOM 214 CB LYS A 14 5.783 -2.294 9.593 1.00 0.00 C ATOM 215 CG LYS A 14 6.888 -2.144 8.557 1.00 0.00 C ATOM 216 CD LYS A 14 7.303 -3.494 7.991 1.00 0.00 C ATOM 217 CE LYS A 14 8.441 -3.350 6.992 1.00 0.00 C ATOM 218 NZ LYS A 14 8.781 -4.647 6.346 1.00 0.00 N ATOM 0 H LYS A 14 4.500 -0.761 8.126 1.00 0.00 H new ATOM 0 HA LYS A 14 4.552 -1.167 10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.174 -2.849 10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.979 -2.893 9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.546 -1.498 7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.751 -1.657 9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.611 -4.152 8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.448 -3.965 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.163 -2.625 6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.321 -2.955 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.604 -4.520 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.006 -5.351 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.971 -4.978 5.785 1.00 0.00 H new ATOM 232 N ASP A 15 6.703 0.886 9.680 1.00 0.00 N ATOM 233 CA ASP A 15 7.723 1.872 10.015 1.00 0.00 C ATOM 234 C ASP A 15 7.159 2.965 10.915 1.00 0.00 C ATOM 235 O ASP A 15 7.884 3.562 11.709 1.00 0.00 O ATOM 236 CB ASP A 15 8.310 2.489 8.743 1.00 0.00 C ATOM 237 CG ASP A 15 9.245 1.570 7.971 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.651 0.572 8.518 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.423 1.786 6.796 1.00 0.00 O ATOM 0 H ASP A 15 6.322 0.977 8.738 1.00 0.00 H new ATOM 0 HA ASP A 15 8.516 1.359 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.492 2.788 8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.852 3.396 9.011 1.00 0.00 H new ATOM 244 N GLY A 16 5.862 3.220 10.786 1.00 0.00 N ATOM 245 CA GLY A 16 5.208 4.274 11.551 1.00 0.00 C ATOM 246 C GLY A 16 5.558 5.651 11.002 1.00 0.00 C ATOM 247 O GLY A 16 5.688 6.616 11.756 1.00 0.00 O ATOM 0 H GLY A 16 5.242 2.710 10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.128 4.132 11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.510 4.209 12.596 1.00 0.00 H new ATOM 251 N ASN A 17 5.711 5.736 9.685 1.00 0.00 N ATOM 252 CA ASN A 17 6.159 6.966 9.043 1.00 0.00 C ATOM 253 C ASN A 17 4.986 7.891 8.743 1.00 0.00 C ATOM 254 O ASN A 17 5.172 9.074 8.461 1.00 0.00 O ATOM 255 CB ASN A 17 6.938 6.678 7.773 1.00 0.00 C ATOM 256 CG ASN A 17 8.293 6.076 8.018 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.875 6.226 9.099 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.834 5.465 6.995 1.00 0.00 N ATOM 0 H ASN A 17 5.531 4.966 9.040 1.00 0.00 H new ATOM 0 HA ASN A 17 6.825 7.469 9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.357 6.001 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.058 7.605 7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.778 5.086 7.068 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.311 5.367 6.125 1.00 0.00 H new ATOM 265 N GLY A 18 3.777 7.344 8.806 1.00 0.00 N ATOM 266 CA GLY A 18 2.577 8.094 8.454 1.00 0.00 C ATOM 267 C GLY A 18 2.205 7.884 6.992 1.00 0.00 C ATOM 268 O GLY A 18 1.382 8.614 6.439 1.00 0.00 O ATOM 0 H GLY A 18 3.602 6.382 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.750 7.781 9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.740 9.155 8.642 1.00 0.00 H new ATOM 272 N PHE A 19 2.816 6.882 6.370 1.00 0.00 N ATOM 273 CA PHE A 19 2.530 6.556 4.978 1.00 0.00 C ATOM 274 C PHE A 19 3.101 5.195 4.601 1.00 0.00 C ATOM 275 O PHE A 19 3.875 4.605 5.356 1.00 0.00 O ATOM 276 CB PHE A 19 3.089 7.636 4.049 1.00 0.00 C ATOM 277 CG PHE A 19 4.579 7.802 4.143 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.428 6.994 3.402 1.00 0.00 C ATOM 279 CD2 PHE A 19 5.134 8.767 4.970 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.800 7.145 3.487 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.504 8.922 5.056 1.00 0.00 C ATOM 282 CZ PHE A 19 7.338 8.109 4.313 1.00 0.00 C ATOM 0 H PHE A 19 3.513 6.281 6.809 1.00 0.00 H new ATOM 0 HA PHE A 19 1.447 6.514 4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.824 7.391 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.611 8.587 4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.013 6.238 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.487 9.405 5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.450 6.508 2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.923 9.678 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.409 8.228 4.379 1.00 0.00 H new ATOM 292 N ILE A 20 2.714 4.700 3.430 1.00 0.00 N ATOM 293 CA ILE A 20 3.218 3.425 2.934 1.00 0.00 C ATOM 294 C ILE A 20 4.331 3.631 1.914 1.00 0.00 C ATOM 295 O ILE A 20 4.113 4.222 0.856 1.00 0.00 O ATOM 296 CB ILE A 20 2.097 2.585 2.295 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.951 2.379 3.288 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.641 1.246 1.820 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.364 1.677 4.561 1.00 0.00 C ATOM 0 H ILE A 20 2.053 5.163 2.807 1.00 0.00 H new ATOM 0 HA ILE A 20 3.615 2.888 3.795 1.00 0.00 H new ATOM 0 HB ILE A 20 1.710 3.124 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.524 3.349 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.164 1.801 2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.836 0.665 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.424 1.413 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.054 0.699 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.498 1.568 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.763 0.692 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.129 2.264 5.069 1.00 0.00 H new ATOM 311 N ASP A 21 5.522 3.143 2.239 1.00 0.00 N ATOM 312 CA ASP A 21 6.644 3.177 1.307 1.00 0.00 C ATOM 313 C ASP A 21 6.722 1.893 0.491 1.00 0.00 C ATOM 314 O ASP A 21 5.845 1.033 0.583 1.00 0.00 O ATOM 315 CB ASP A 21 7.958 3.403 2.059 1.00 0.00 C ATOM 316 CG ASP A 21 8.412 2.219 2.902 1.00 0.00 C ATOM 317 OD1 ASP A 21 7.914 1.139 2.690 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.359 2.368 3.639 1.00 0.00 O ATOM 0 H ASP A 21 5.737 2.719 3.141 1.00 0.00 H new ATOM 0 HA ASP A 21 6.482 4.007 0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.739 3.640 1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.847 4.273 2.706 1.00 0.00 H new ATOM 323 N ARG A 22 7.777 1.768 -0.307 1.00 0.00 N ATOM 324 CA ARG A 22 7.866 0.704 -1.299 1.00 0.00 C ATOM 325 C ARG A 22 7.873 -0.667 -0.635 1.00 0.00 C ATOM 326 O ARG A 22 7.161 -1.577 -1.062 1.00 0.00 O ATOM 327 CB ARG A 22 9.060 0.880 -2.225 1.00 0.00 C ATOM 328 CG ARG A 22 8.924 2.007 -3.237 1.00 0.00 C ATOM 329 CD ARG A 22 10.115 2.201 -4.102 1.00 0.00 C ATOM 330 NE ARG A 22 9.997 3.293 -5.055 1.00 0.00 N ATOM 331 CZ ARG A 22 10.976 3.687 -5.892 1.00 0.00 C ATOM 332 NH1 ARG A 22 12.156 3.109 -5.874 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.726 4.689 -6.718 1.00 0.00 N ATOM 0 H ARG A 22 8.584 2.392 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 22 6.973 0.770 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.948 1.060 -1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.225 -0.054 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.059 1.808 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.722 2.936 -2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.983 2.381 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.306 1.277 -4.649 1.00 0.00 H new ATOM 0 HE ARG A 22 9.110 3.796 -5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.342 2.349 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.886 3.420 -6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.812 5.141 -6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.448 5.010 -7.364 1.00 0.00 H new ATOM 347 N GLU A 23 8.681 -0.810 0.409 1.00 0.00 N ATOM 348 CA GLU A 23 8.795 -2.075 1.123 1.00 0.00 C ATOM 349 C GLU A 23 7.480 -2.450 1.796 1.00 0.00 C ATOM 350 O GLU A 23 7.024 -3.588 1.696 1.00 0.00 O ATOM 351 CB GLU A 23 9.916 -2.006 2.162 1.00 0.00 C ATOM 352 CG GLU A 23 10.080 -3.269 2.997 1.00 0.00 C ATOM 353 CD GLU A 23 11.154 -3.102 4.035 1.00 0.00 C ATOM 354 OE1 GLU A 23 11.829 -2.101 4.008 1.00 0.00 O ATOM 355 OE2 GLU A 23 11.228 -3.921 4.921 1.00 0.00 O ATOM 0 H GLU A 23 9.268 -0.063 0.780 1.00 0.00 H new ATOM 0 HA GLU A 23 9.036 -2.848 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.856 -1.799 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.724 -1.166 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.135 -3.511 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.327 -4.108 2.347 1.00 0.00 H new ATOM 362 N GLU A 24 6.876 -1.484 2.480 1.00 0.00 N ATOM 363 CA GLU A 24 5.616 -1.712 3.177 1.00 0.00 C ATOM 364 C GLU A 24 4.500 -2.054 2.200 1.00 0.00 C ATOM 365 O GLU A 24 3.580 -2.803 2.528 1.00 0.00 O ATOM 366 CB GLU A 24 5.233 -0.485 4.007 1.00 0.00 C ATOM 367 CG GLU A 24 6.211 -0.149 5.122 1.00 0.00 C ATOM 368 CD GLU A 24 5.914 1.197 5.724 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.743 2.133 4.981 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.746 1.267 6.918 1.00 0.00 O ATOM 0 H GLU A 24 7.239 -0.535 2.566 1.00 0.00 H new ATOM 0 HA GLU A 24 5.754 -2.562 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.149 0.375 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.247 -0.650 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.160 -0.915 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.228 -0.158 4.731 1.00 0.00 H new ATOM 377 N PHE A 25 4.586 -1.499 0.995 1.00 0.00 N ATOM 378 CA PHE A 25 3.645 -1.831 -0.070 1.00 0.00 C ATOM 379 C PHE A 25 3.864 -3.251 -0.574 1.00 0.00 C ATOM 380 O PHE A 25 2.908 -3.964 -0.884 1.00 0.00 O ATOM 381 CB PHE A 25 3.774 -0.835 -1.225 1.00 0.00 C ATOM 382 CG PHE A 25 2.721 -0.999 -2.284 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.411 -0.612 -2.046 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.039 -1.539 -3.521 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.442 -0.761 -3.020 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.073 -1.688 -4.496 1.00 0.00 C ATOM 387 CZ PHE A 25 0.773 -1.299 -4.246 1.00 0.00 C ATOM 0 H PHE A 25 5.298 -0.817 0.731 1.00 0.00 H new ATOM 0 HA PHE A 25 2.637 -1.768 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.722 0.178 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.757 -0.947 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.145 -0.189 -1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.054 -1.847 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.575 -0.456 -2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.335 -2.109 -5.455 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.017 -1.415 -5.008 1.00 0.00 H new ATOM 397 N GLY A 26 5.126 -3.658 -0.656 1.00 0.00 N ATOM 398 CA GLY A 26 5.468 -5.039 -0.972 1.00 0.00 C ATOM 399 C GLY A 26 4.808 -6.006 0.002 1.00 0.00 C ATOM 400 O GLY A 26 4.339 -7.075 -0.389 1.00 0.00 O ATOM 0 H GLY A 26 5.931 -3.049 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.152 -5.271 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.550 -5.166 -0.937 1.00 0.00 H new ATOM 404 N ASP A 27 4.776 -5.625 1.276 1.00 0.00 N ATOM 405 CA ASP A 27 4.102 -6.420 2.296 1.00 0.00 C ATOM 406 C ASP A 27 2.598 -6.455 2.063 1.00 0.00 C ATOM 407 O ASP A 27 1.948 -7.478 2.284 1.00 0.00 O ATOM 408 CB ASP A 27 4.406 -5.868 3.691 1.00 0.00 C ATOM 409 CG ASP A 27 5.816 -6.157 4.189 1.00 0.00 C ATOM 410 OD1 ASP A 27 6.481 -6.969 3.591 1.00 0.00 O ATOM 411 OD2 ASP A 27 6.272 -5.454 5.059 1.00 0.00 O ATOM 0 H ASP A 27 5.209 -4.770 1.626 1.00 0.00 H new ATOM 0 HA ASP A 27 4.480 -7.440 2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.251 -4.789 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.691 -6.288 4.398 1.00 0.00 H new ATOM 416 N ILE A 28 2.047 -5.331 1.615 1.00 0.00 N ATOM 417 CA ILE A 28 0.641 -5.266 1.233 1.00 0.00 C ATOM 418 C ILE A 28 0.328 -6.250 0.114 1.00 0.00 C ATOM 419 O ILE A 28 -0.708 -6.915 0.130 1.00 0.00 O ATOM 420 CB ILE A 28 0.243 -3.848 0.785 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.258 -2.887 1.976 1.00 0.00 C ATOM 422 CG2 ILE A 28 -1.128 -3.864 0.127 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.125 -1.432 1.588 1.00 0.00 C ATOM 0 H ILE A 28 2.554 -4.452 1.508 1.00 0.00 H new ATOM 0 HA ILE A 28 0.062 -5.533 2.117 1.00 0.00 H new ATOM 0 HB ILE A 28 0.971 -3.499 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.556 -3.149 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.188 -3.022 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.394 -2.854 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.106 -4.518 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.868 -4.232 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.144 -0.813 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.953 -1.152 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.818 -1.280 1.062 1.00 0.00 H new ATOM 435 N ILE A 29 1.229 -6.339 -0.859 1.00 0.00 N ATOM 436 CA ILE A 29 1.037 -7.222 -2.002 1.00 0.00 C ATOM 437 C ILE A 29 1.014 -8.683 -1.571 1.00 0.00 C ATOM 438 O ILE A 29 0.208 -9.473 -2.063 1.00 0.00 O ATOM 439 CB ILE A 29 2.140 -7.026 -3.059 1.00 0.00 C ATOM 440 CG1 ILE A 29 2.073 -5.613 -3.644 1.00 0.00 C ATOM 441 CG2 ILE A 29 2.013 -8.068 -4.159 1.00 0.00 C ATOM 442 CD1 ILE A 29 0.741 -5.278 -4.277 1.00 0.00 C ATOM 0 H ILE A 29 2.100 -5.809 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 29 0.075 -6.961 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 29 3.109 -7.153 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.281 -4.892 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.858 -5.501 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.800 -7.915 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.108 -9.065 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.040 -7.972 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.770 -4.261 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.539 -5.975 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.047 -5.356 -3.528 1.00 0.00 H new ATOM 454 N ARG A 30 1.903 -9.038 -0.649 1.00 0.00 N ATOM 455 CA ARG A 30 1.943 -10.388 -0.102 1.00 0.00 C ATOM 456 C ARG A 30 0.654 -10.720 0.639 1.00 0.00 C ATOM 457 O ARG A 30 0.122 -11.823 0.516 1.00 0.00 O ATOM 458 CB ARG A 30 3.165 -10.616 0.776 1.00 0.00 C ATOM 459 CG ARG A 30 3.273 -12.011 1.372 1.00 0.00 C ATOM 460 CD ARG A 30 4.500 -12.240 2.177 1.00 0.00 C ATOM 461 NE ARG A 30 4.588 -13.560 2.779 1.00 0.00 N ATOM 462 CZ ARG A 30 5.571 -13.957 3.611 1.00 0.00 C ATOM 463 NH1 ARG A 30 6.568 -13.156 3.912 1.00 0.00 N ATOM 464 NH2 ARG A 30 5.518 -15.185 4.098 1.00 0.00 N ATOM 0 H ARG A 30 2.607 -8.407 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 30 2.030 -11.073 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.060 -10.418 0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.151 -9.889 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.401 -12.193 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.241 -12.742 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.371 -12.086 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.546 -11.490 2.967 1.00 0.00 H new ATOM 0 HE ARG A 30 3.855 -14.233 2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.606 -12.218 3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.304 -13.473 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.748 -15.803 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.247 -15.515 4.730 1.00 0.00 H new ATOM 478 N LEU A 31 0.156 -9.758 1.410 1.00 0.00 N ATOM 479 CA LEU A 31 -1.040 -9.965 2.217 1.00 0.00 C ATOM 480 C LEU A 31 -2.304 -9.788 1.384 1.00 0.00 C ATOM 481 O LEU A 31 -3.377 -10.261 1.758 1.00 0.00 O ATOM 482 CB LEU A 31 -1.048 -9.003 3.410 1.00 0.00 C ATOM 483 CG LEU A 31 -0.359 -9.527 4.677 1.00 0.00 C ATOM 484 CD1 LEU A 31 0.939 -10.234 4.310 1.00 0.00 C ATOM 485 CD2 LEU A 31 -0.092 -8.369 5.627 1.00 0.00 C ATOM 0 H LEU A 31 0.563 -8.827 1.492 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.024 -10.989 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.563 -8.074 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.082 -8.759 3.653 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.010 -10.245 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.421 -10.603 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.722 -11.072 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.604 -9.534 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.397 -8.742 6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.554 -7.639 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.036 -7.895 5.897 1.00 0.00 H new ATOM 497 N THR A 32 -2.170 -9.103 0.254 1.00 0.00 N ATOM 498 CA THR A 32 -3.253 -9.008 -0.718 1.00 0.00 C ATOM 499 C THR A 32 -3.501 -10.348 -1.398 1.00 0.00 C ATOM 500 O THR A 32 -4.647 -10.734 -1.632 1.00 0.00 O ATOM 501 CB THR A 32 -2.957 -7.946 -1.792 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.901 -6.648 -1.183 1.00 0.00 O ATOM 503 CG2 THR A 32 -4.038 -7.953 -2.862 1.00 0.00 C ATOM 0 H THR A 32 -1.321 -8.605 -0.012 1.00 0.00 H new ATOM 0 HA THR A 32 -4.145 -8.713 -0.166 1.00 0.00 H new ATOM 0 HB THR A 32 -1.999 -8.179 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.224 -6.648 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.812 -7.196 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.075 -8.934 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.003 -7.734 -2.405 1.00 0.00 H new ATOM 511 N GLY A 33 -2.421 -11.055 -1.714 1.00 0.00 N ATOM 512 CA GLY A 33 -2.521 -12.374 -2.328 1.00 0.00 C ATOM 513 C GLY A 33 -2.057 -12.342 -3.778 1.00 0.00 C ATOM 514 O GLY A 33 -2.491 -13.152 -4.597 1.00 0.00 O ATOM 0 H GLY A 33 -1.465 -10.736 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.918 -13.087 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.553 -12.723 -2.281 1.00 0.00 H new ATOM 518 N GLU A 34 -1.172 -11.401 -4.090 1.00 0.00 N ATOM 519 CA GLU A 34 -0.645 -11.263 -5.443 1.00 0.00 C ATOM 520 C GLU A 34 0.829 -11.640 -5.502 1.00 0.00 C ATOM 521 O GLU A 34 1.599 -11.317 -4.598 1.00 0.00 O ATOM 522 CB GLU A 34 -0.843 -9.833 -5.951 1.00 0.00 C ATOM 523 CG GLU A 34 -2.296 -9.440 -6.175 1.00 0.00 C ATOM 524 CD GLU A 34 -2.406 -8.054 -6.748 1.00 0.00 C ATOM 525 OE1 GLU A 34 -1.392 -7.420 -6.917 1.00 0.00 O ATOM 526 OE2 GLU A 34 -3.490 -7.672 -7.121 1.00 0.00 O ATOM 0 H GLU A 34 -0.804 -10.722 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.197 -11.948 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.399 -9.141 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.299 -9.715 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.768 -10.153 -6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.838 -9.489 -5.231 1.00 0.00 H new ATOM 533 N GLN A 35 1.216 -12.326 -6.572 1.00 0.00 N ATOM 534 CA GLN A 35 2.599 -12.752 -6.749 1.00 0.00 C ATOM 535 C GLN A 35 3.346 -11.818 -7.694 1.00 0.00 C ATOM 536 O GLN A 35 3.681 -12.195 -8.817 1.00 0.00 O ATOM 537 CB GLN A 35 2.654 -14.184 -7.288 1.00 0.00 C ATOM 538 CG GLN A 35 2.062 -15.224 -6.353 1.00 0.00 C ATOM 539 CD GLN A 35 2.831 -15.339 -5.051 1.00 0.00 C ATOM 540 OE1 GLN A 35 4.066 -15.350 -5.043 1.00 0.00 O ATOM 541 NE2 GLN A 35 2.107 -15.428 -3.942 1.00 0.00 N ATOM 0 H GLN A 35 0.591 -12.599 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 35 3.084 -12.717 -5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.123 -14.223 -8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.693 -14.444 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.025 -14.966 -6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.052 -16.193 -6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.088 -15.415 -3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.569 -15.509 -3.036 1.00 0.00 H new ATOM 550 N LEU A 36 3.605 -10.600 -7.232 1.00 0.00 N ATOM 551 CA LEU A 36 4.291 -9.602 -8.044 1.00 0.00 C ATOM 552 C LEU A 36 5.799 -9.667 -7.836 1.00 0.00 C ATOM 553 O LEU A 36 6.272 -10.052 -6.767 1.00 0.00 O ATOM 554 CB LEU A 36 3.767 -8.199 -7.714 1.00 0.00 C ATOM 555 CG LEU A 36 2.265 -7.992 -7.946 1.00 0.00 C ATOM 556 CD1 LEU A 36 1.882 -6.552 -7.629 1.00 0.00 C ATOM 557 CD2 LEU A 36 1.921 -8.336 -9.387 1.00 0.00 C ATOM 0 H LEU A 36 3.350 -10.280 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 36 4.086 -9.819 -9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.990 -7.981 -6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.315 -7.473 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 36 1.701 -8.649 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.814 -6.414 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.117 -6.334 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.441 -5.876 -8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.854 -8.189 -9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.484 -7.689 -10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.178 -9.377 -9.584 1.00 0.00 H new ATOM 569 N THR A 37 6.549 -9.290 -8.866 1.00 0.00 N ATOM 570 CA THR A 37 7.998 -9.174 -8.757 1.00 0.00 C ATOM 571 C THR A 37 8.398 -7.850 -8.118 1.00 0.00 C ATOM 572 O THR A 37 7.552 -6.996 -7.853 1.00 0.00 O ATOM 573 CB THR A 37 8.681 -9.296 -10.131 1.00 0.00 C ATOM 574 OG1 THR A 37 8.325 -8.172 -10.946 1.00 0.00 O ATOM 575 CG2 THR A 37 8.252 -10.579 -10.828 1.00 0.00 C ATOM 0 H THR A 37 6.176 -9.059 -9.787 1.00 0.00 H new ATOM 0 HA THR A 37 8.331 -9.996 -8.123 1.00 0.00 H new ATOM 0 HB THR A 37 9.761 -9.319 -9.983 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.762 -8.250 -11.820 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.745 -10.648 -11.798 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.532 -11.437 -10.216 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.171 -10.572 -10.970 1.00 0.00 H new ATOM 583 N ASP A 38 9.693 -7.683 -7.874 1.00 0.00 N ATOM 584 CA ASP A 38 10.217 -6.434 -7.333 1.00 0.00 C ATOM 585 C ASP A 38 9.853 -5.253 -8.222 1.00 0.00 C ATOM 586 O ASP A 38 9.603 -4.150 -7.734 1.00 0.00 O ATOM 587 CB ASP A 38 11.737 -6.518 -7.166 1.00 0.00 C ATOM 588 CG ASP A 38 12.195 -7.403 -6.014 1.00 0.00 C ATOM 589 OD1 ASP A 38 11.373 -7.771 -5.209 1.00 0.00 O ATOM 590 OD2 ASP A 38 13.325 -7.831 -6.034 1.00 0.00 O ATOM 0 H ASP A 38 10.400 -8.398 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 38 9.761 -6.277 -6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.172 -6.894 -8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.130 -5.513 -7.014 1.00 0.00 H new ATOM 595 N GLU A 39 9.824 -5.489 -9.529 1.00 0.00 N ATOM 596 CA GLU A 39 9.493 -4.443 -10.489 1.00 0.00 C ATOM 597 C GLU A 39 7.988 -4.218 -10.562 1.00 0.00 C ATOM 598 O GLU A 39 7.525 -3.082 -10.659 1.00 0.00 O ATOM 599 CB GLU A 39 10.039 -4.795 -11.874 1.00 0.00 C ATOM 600 CG GLU A 39 11.559 -4.789 -11.971 1.00 0.00 C ATOM 601 CD GLU A 39 12.020 -5.211 -13.339 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.189 -5.546 -14.148 1.00 0.00 O ATOM 603 OE2 GLU A 39 13.191 -5.092 -13.611 1.00 0.00 O ATOM 0 H GLU A 39 10.026 -6.397 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 39 9.960 -3.519 -10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.673 -5.782 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.638 -4.088 -12.600 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.936 -3.790 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.976 -5.461 -11.221 1.00 0.00 H new ATOM 610 N ASP A 40 7.229 -5.308 -10.514 1.00 0.00 N ATOM 611 CA ASP A 40 5.777 -5.234 -10.610 1.00 0.00 C ATOM 612 C ASP A 40 5.178 -4.541 -9.393 1.00 0.00 C ATOM 613 O ASP A 40 4.206 -3.794 -9.508 1.00 0.00 O ATOM 614 CB ASP A 40 5.178 -6.634 -10.765 1.00 0.00 C ATOM 615 CG ASP A 40 5.407 -7.270 -12.130 1.00 0.00 C ATOM 616 OD1 ASP A 40 5.793 -6.566 -13.034 1.00 0.00 O ATOM 617 OD2 ASP A 40 5.350 -8.472 -12.220 1.00 0.00 O ATOM 0 H ASP A 40 7.597 -6.254 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 40 5.532 -4.644 -11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.602 -7.284 -9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.105 -6.579 -10.579 1.00 0.00 H new ATOM 622 N VAL A 41 5.763 -4.792 -8.227 1.00 0.00 N ATOM 623 CA VAL A 41 5.340 -4.131 -6.999 1.00 0.00 C ATOM 624 C VAL A 41 5.605 -2.632 -7.060 1.00 0.00 C ATOM 625 O VAL A 41 4.766 -1.827 -6.658 1.00 0.00 O ATOM 626 CB VAL A 41 6.054 -4.719 -5.767 1.00 0.00 C ATOM 627 CG1 VAL A 41 5.780 -3.866 -4.536 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.609 -6.153 -5.527 1.00 0.00 C ATOM 0 H VAL A 41 6.533 -5.450 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 41 4.268 -4.303 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 41 7.127 -4.718 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.292 -4.295 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.144 -2.853 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.707 -3.838 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.124 -6.552 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.533 -6.176 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.851 -6.760 -6.399 1.00 0.00 H new ATOM 638 N ASP A 42 6.777 -2.264 -7.566 1.00 0.00 N ATOM 639 CA ASP A 42 7.128 -0.860 -7.744 1.00 0.00 C ATOM 640 C ASP A 42 6.256 -0.205 -8.808 1.00 0.00 C ATOM 641 O ASP A 42 5.946 0.983 -8.726 1.00 0.00 O ATOM 642 CB ASP A 42 8.606 -0.719 -8.117 1.00 0.00 C ATOM 643 CG ASP A 42 9.571 -0.967 -6.966 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.126 -1.018 -5.844 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.714 -1.259 -7.228 1.00 0.00 O ATOM 0 H ASP A 42 7.501 -2.920 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 42 6.952 -0.351 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.833 -1.417 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.776 0.284 -8.508 1.00 0.00 H new ATOM 650 N GLU A 43 5.860 -0.988 -9.806 1.00 0.00 N ATOM 651 CA GLU A 43 4.991 -0.495 -10.868 1.00 0.00 C ATOM 652 C GLU A 43 3.632 -0.082 -10.320 1.00 0.00 C ATOM 653 O GLU A 43 3.141 1.009 -10.611 1.00 0.00 O ATOM 654 CB GLU A 43 4.818 -1.560 -11.955 1.00 0.00 C ATOM 655 CG GLU A 43 3.956 -1.122 -13.131 1.00 0.00 C ATOM 656 CD GLU A 43 3.867 -2.200 -14.173 1.00 0.00 C ATOM 657 OE1 GLU A 43 4.460 -3.235 -13.983 1.00 0.00 O ATOM 658 OE2 GLU A 43 3.117 -2.037 -15.107 1.00 0.00 O ATOM 0 H GLU A 43 6.127 -1.968 -9.901 1.00 0.00 H new ATOM 0 HA GLU A 43 5.464 0.385 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.802 -1.845 -12.327 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.376 -2.450 -11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.956 -0.871 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.374 -0.218 -13.574 1.00 0.00 H new ATOM 665 N ILE A 44 3.027 -0.959 -9.525 1.00 0.00 N ATOM 666 CA ILE A 44 1.722 -0.686 -8.937 1.00 0.00 C ATOM 667 C ILE A 44 1.829 0.327 -7.804 1.00 0.00 C ATOM 668 O ILE A 44 0.900 1.099 -7.559 1.00 0.00 O ATOM 669 CB ILE A 44 1.065 -1.971 -8.401 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.903 -2.997 -9.526 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.281 -1.655 -7.767 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.089 -2.495 -10.697 1.00 0.00 C ATOM 0 H ILE A 44 3.421 -1.866 -9.273 1.00 0.00 H new ATOM 0 HA ILE A 44 1.100 -0.274 -9.731 1.00 0.00 H new ATOM 0 HB ILE A 44 1.713 -2.399 -7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.890 -3.291 -9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.429 -3.892 -9.123 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.732 -2.574 -7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.139 -0.958 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.938 -1.206 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.018 -3.277 -11.453 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.911 -2.228 -10.357 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.573 -1.618 -11.127 1.00 0.00 H new ATOM 684 N PHE A 45 2.966 0.322 -7.118 1.00 0.00 N ATOM 685 CA PHE A 45 3.272 1.353 -6.132 1.00 0.00 C ATOM 686 C PHE A 45 3.180 2.744 -6.746 1.00 0.00 C ATOM 687 O PHE A 45 2.520 3.631 -6.203 1.00 0.00 O ATOM 688 CB PHE A 45 4.663 1.130 -5.540 1.00 0.00 C ATOM 689 CG PHE A 45 5.098 2.212 -4.591 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.705 2.186 -3.261 1.00 0.00 C ATOM 691 CD2 PHE A 45 5.900 3.255 -5.026 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.104 3.180 -2.388 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.302 4.249 -4.156 1.00 0.00 C ATOM 694 CZ PHE A 45 5.903 4.211 -2.835 1.00 0.00 C ATOM 0 H PHE A 45 3.693 -0.386 -7.226 1.00 0.00 H new ATOM 0 HA PHE A 45 2.533 1.283 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.676 0.174 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.386 1.059 -6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.081 1.380 -2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.215 3.291 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.790 3.149 -1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.928 5.055 -4.509 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.216 4.988 -2.153 1.00 0.00 H new ATOM 704 N GLY A 46 3.846 2.931 -7.880 1.00 0.00 N ATOM 705 CA GLY A 46 3.829 4.212 -8.578 1.00 0.00 C ATOM 706 C GLY A 46 2.436 4.534 -9.104 1.00 0.00 C ATOM 707 O GLY A 46 2.037 5.696 -9.159 1.00 0.00 O ATOM 0 H GLY A 46 4.405 2.211 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.157 5.002 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.537 4.187 -9.407 1.00 0.00 H new ATOM 711 N ASP A 47 1.700 3.497 -9.489 1.00 0.00 N ATOM 712 CA ASP A 47 0.335 3.664 -9.971 1.00 0.00 C ATOM 713 C ASP A 47 -0.580 4.181 -8.868 1.00 0.00 C ATOM 714 O ASP A 47 -1.472 4.992 -9.117 1.00 0.00 O ATOM 715 CB ASP A 47 -0.205 2.343 -10.525 1.00 0.00 C ATOM 716 CG ASP A 47 0.382 1.939 -11.870 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.015 2.760 -12.491 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.329 0.776 -12.193 1.00 0.00 O ATOM 0 H ASP A 47 2.027 2.531 -9.476 1.00 0.00 H new ATOM 0 HA ASP A 47 0.354 4.402 -10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.006 1.551 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.288 2.420 -10.623 1.00 0.00 H new ATOM 723 N SER A 48 -0.354 3.706 -7.648 1.00 0.00 N ATOM 724 CA SER A 48 -1.138 4.142 -6.498 1.00 0.00 C ATOM 725 C SER A 48 -0.726 5.537 -6.047 1.00 0.00 C ATOM 726 O SER A 48 -1.543 6.301 -5.533 1.00 0.00 O ATOM 727 CB SER A 48 -0.989 3.152 -5.359 1.00 0.00 C ATOM 728 OG SER A 48 -1.531 1.899 -5.676 1.00 0.00 O ATOM 0 H SER A 48 0.367 3.018 -7.430 1.00 0.00 H new ATOM 0 HA SER A 48 -2.185 4.183 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.067 3.038 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.482 3.546 -4.470 1.00 0.00 H new ATOM 0 HG SER A 48 -0.935 1.433 -6.299 1.00 0.00 H new ATOM 734 N ASP A 49 0.548 5.864 -6.240 1.00 0.00 N ATOM 735 CA ASP A 49 1.054 7.192 -5.919 1.00 0.00 C ATOM 736 C ASP A 49 0.664 8.205 -6.988 1.00 0.00 C ATOM 737 O ASP A 49 1.470 8.553 -7.850 1.00 0.00 O ATOM 738 CB ASP A 49 2.576 7.161 -5.756 1.00 0.00 C ATOM 739 CG ASP A 49 3.185 8.474 -5.285 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.449 9.410 -5.082 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.355 8.489 -4.983 1.00 0.00 O ATOM 0 H ASP A 49 1.249 5.226 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 49 0.602 7.500 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.837 6.378 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.026 6.888 -6.710 1.00 0.00 H new ATOM 746 N THR A 50 -0.578 8.674 -6.924 1.00 0.00 N ATOM 747 CA THR A 50 -1.106 9.579 -7.938 1.00 0.00 C ATOM 748 C THR A 50 -0.317 10.882 -7.979 1.00 0.00 C ATOM 749 O THR A 50 -0.056 11.426 -9.052 1.00 0.00 O ATOM 750 CB THR A 50 -2.593 9.900 -7.690 1.00 0.00 C ATOM 751 OG1 THR A 50 -3.361 8.691 -7.757 1.00 0.00 O ATOM 752 CG2 THR A 50 -3.107 10.882 -8.731 1.00 0.00 C ATOM 0 H THR A 50 -1.237 8.442 -6.181 1.00 0.00 H new ATOM 0 HA THR A 50 -1.008 9.068 -8.896 1.00 0.00 H new ATOM 0 HB THR A 50 -2.694 10.349 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.651 8.437 -6.856 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.158 11.097 -8.540 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.532 11.806 -8.675 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.000 10.448 -9.725 1.00 0.00 H new ATOM 760 N ASP A 51 0.059 11.376 -6.805 1.00 0.00 N ATOM 761 CA ASP A 51 0.729 12.668 -6.697 1.00 0.00 C ATOM 762 C ASP A 51 2.210 12.550 -7.034 1.00 0.00 C ATOM 763 O ASP A 51 2.917 13.553 -7.127 1.00 0.00 O ATOM 764 CB ASP A 51 0.555 13.246 -5.291 1.00 0.00 C ATOM 765 CG ASP A 51 -0.856 13.729 -4.980 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.629 13.875 -5.898 1.00 0.00 O ATOM 767 OD2 ASP A 51 -1.197 13.799 -3.824 1.00 0.00 O ATOM 0 H ASP A 51 -0.088 10.902 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 51 0.268 13.344 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.835 12.486 -4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.247 14.079 -5.165 1.00 0.00 H new ATOM 772 N LYS A 52 2.673 11.317 -7.217 1.00 0.00 N ATOM 773 CA LYS A 52 4.076 11.065 -7.521 1.00 0.00 C ATOM 774 C LYS A 52 4.988 11.675 -6.464 1.00 0.00 C ATOM 775 O LYS A 52 5.993 12.308 -6.788 1.00 0.00 O ATOM 776 CB LYS A 52 4.433 11.615 -8.904 1.00 0.00 C ATOM 777 CG LYS A 52 3.642 10.997 -10.049 1.00 0.00 C ATOM 778 CD LYS A 52 4.047 11.596 -11.388 1.00 0.00 C ATOM 779 CE LYS A 52 3.218 11.021 -12.526 1.00 0.00 C ATOM 780 NZ LYS A 52 3.542 11.660 -13.830 1.00 0.00 N ATOM 0 H LYS A 52 2.096 10.478 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 52 4.227 9.986 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.271 12.693 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.496 11.452 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.805 9.919 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.576 11.156 -9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.923 12.678 -11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.104 11.401 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.393 9.947 -12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.159 11.158 -12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.955 11.239 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.351 12.681 -13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.547 11.507 -14.051 1.00 0.00 H new ATOM 794 N ASN A 53 4.632 11.481 -5.199 1.00 0.00 N ATOM 795 CA ASN A 53 5.400 12.038 -4.092 1.00 0.00 C ATOM 796 C ASN A 53 6.513 11.091 -3.663 1.00 0.00 C ATOM 797 O ASN A 53 7.361 11.445 -2.844 1.00 0.00 O ATOM 798 CB ASN A 53 4.509 12.372 -2.910 1.00 0.00 C ATOM 799 CG ASN A 53 3.622 13.565 -3.139 1.00 0.00 C ATOM 800 OD1 ASN A 53 3.931 14.446 -3.949 1.00 0.00 O ATOM 801 ND2 ASN A 53 2.566 13.639 -2.370 1.00 0.00 N ATOM 0 H ASN A 53 3.815 10.941 -4.914 1.00 0.00 H new ATOM 0 HA ASN A 53 5.853 12.964 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.887 11.507 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.134 12.557 -2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.953 14.452 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.356 12.883 -1.718 1.00 0.00 H new ATOM 808 N GLY A 54 6.503 9.884 -4.218 1.00 0.00 N ATOM 809 CA GLY A 54 7.446 8.848 -3.816 1.00 0.00 C ATOM 810 C GLY A 54 6.925 8.061 -2.621 1.00 0.00 C ATOM 811 O GLY A 54 7.703 7.508 -1.843 1.00 0.00 O ATOM 0 H GLY A 54 5.851 9.599 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.623 8.171 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.404 9.303 -3.565 1.00 0.00 H new ATOM 815 N ARG A 55 5.605 8.014 -2.480 1.00 0.00 N ATOM 816 CA ARG A 55 4.981 7.422 -1.303 1.00 0.00 C ATOM 817 C ARG A 55 3.469 7.333 -1.467 1.00 0.00 C ATOM 818 O ARG A 55 2.870 8.103 -2.218 1.00 0.00 O ATOM 819 CB ARG A 55 5.359 8.153 -0.023 1.00 0.00 C ATOM 820 CG ARG A 55 4.894 9.598 0.049 1.00 0.00 C ATOM 821 CD ARG A 55 5.294 10.308 1.292 1.00 0.00 C ATOM 822 NE ARG A 55 5.006 11.733 1.290 1.00 0.00 N ATOM 823 CZ ARG A 55 3.823 12.275 1.638 1.00 0.00 C ATOM 824 NH1 ARG A 55 2.804 11.516 1.979 1.00 0.00 N ATOM 825 NH2 ARG A 55 3.704 13.591 1.605 1.00 0.00 N ATOM 0 H ARG A 55 4.946 8.379 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 55 5.368 6.407 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.942 7.610 0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.443 8.130 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.293 10.139 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.808 9.623 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.784 9.848 2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.363 10.166 1.449 1.00 0.00 H new ATOM 0 HE ARG A 55 5.752 12.367 1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.903 10.501 1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.915 11.943 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.496 14.168 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.820 14.030 1.863 1.00 0.00 H new ATOM 839 N ILE A 56 2.856 6.389 -0.761 1.00 0.00 N ATOM 840 CA ILE A 56 1.405 6.251 -0.764 1.00 0.00 C ATOM 841 C ILE A 56 0.807 6.702 0.563 1.00 0.00 C ATOM 842 O ILE A 56 0.999 6.057 1.594 1.00 0.00 O ATOM 843 CB ILE A 56 0.975 4.798 -1.041 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.494 4.341 -2.407 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.538 4.668 -0.971 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.331 2.858 -2.657 1.00 0.00 C ATOM 0 H ILE A 56 3.343 5.707 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 56 1.031 6.889 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 56 1.409 4.155 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.969 4.891 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.550 4.600 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.824 3.635 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.882 4.956 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.994 5.320 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.721 2.610 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.880 2.299 -1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.274 2.595 -2.608 1.00 0.00 H new ATOM 858 N ASP A 57 0.081 7.815 0.531 1.00 0.00 N ATOM 859 CA ASP A 57 -0.500 8.386 1.740 1.00 0.00 C ATOM 860 C ASP A 57 -1.844 7.745 2.061 1.00 0.00 C ATOM 861 O ASP A 57 -2.267 6.800 1.393 1.00 0.00 O ATOM 862 CB ASP A 57 -0.662 9.901 1.593 1.00 0.00 C ATOM 863 CG ASP A 57 -1.688 10.326 0.551 1.00 0.00 C ATOM 864 OD1 ASP A 57 -2.446 9.491 0.117 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.809 11.504 0.313 1.00 0.00 O ATOM 0 H ASP A 57 -0.119 8.340 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 57 0.181 8.181 2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.948 10.319 2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.304 10.334 1.332 1.00 0.00 H new ATOM 870 N PHE A 58 -2.511 8.262 3.086 1.00 0.00 N ATOM 871 CA PHE A 58 -3.745 7.661 3.579 1.00 0.00 C ATOM 872 C PHE A 58 -4.833 7.688 2.515 1.00 0.00 C ATOM 873 O PHE A 58 -5.510 6.686 2.279 1.00 0.00 O ATOM 874 CB PHE A 58 -4.224 8.383 4.840 1.00 0.00 C ATOM 875 CG PHE A 58 -5.476 7.802 5.433 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.430 6.632 6.176 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.702 8.422 5.247 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.581 6.096 6.722 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.853 7.890 5.792 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.793 6.724 6.530 1.00 0.00 C ATOM 0 H PHE A 58 -2.218 9.097 3.593 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.535 6.620 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.431 8.353 5.588 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.399 9.432 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.484 6.134 6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.757 9.332 4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.531 5.185 7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.801 8.385 5.641 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.693 6.305 6.955 1.00 0.00 H new ATOM 890 N ASP A 59 -4.998 8.839 1.873 1.00 0.00 N ATOM 891 CA ASP A 59 -6.064 9.026 0.895 1.00 0.00 C ATOM 892 C ASP A 59 -5.914 8.062 -0.275 1.00 0.00 C ATOM 893 O ASP A 59 -6.886 7.451 -0.717 1.00 0.00 O ATOM 894 CB ASP A 59 -6.080 10.470 0.387 1.00 0.00 C ATOM 895 CG ASP A 59 -6.607 11.485 1.392 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.173 11.076 2.379 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.306 12.646 1.248 1.00 0.00 O ATOM 0 H ASP A 59 -4.406 9.658 2.012 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.011 8.815 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.067 10.753 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.691 10.518 -0.514 1.00 0.00 H new ATOM 902 N GLU A 60 -4.689 7.930 -0.772 1.00 0.00 N ATOM 903 CA GLU A 60 -4.407 7.031 -1.886 1.00 0.00 C ATOM 904 C GLU A 60 -4.404 5.577 -1.433 1.00 0.00 C ATOM 905 O GLU A 60 -4.728 4.675 -2.207 1.00 0.00 O ATOM 906 CB GLU A 60 -3.066 7.384 -2.532 1.00 0.00 C ATOM 907 CG GLU A 60 -3.029 8.752 -3.199 1.00 0.00 C ATOM 908 CD GLU A 60 -4.123 8.891 -4.220 1.00 0.00 C ATOM 909 OE1 GLU A 60 -4.204 8.060 -5.093 1.00 0.00 O ATOM 910 OE2 GLU A 60 -4.945 9.762 -4.066 1.00 0.00 O ATOM 0 H GLU A 60 -3.875 8.434 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.199 7.156 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.288 7.344 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.824 6.624 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.133 9.530 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.061 8.900 -3.678 1.00 0.00 H new ATOM 917 N PHE A 61 -4.037 5.354 -0.176 1.00 0.00 N ATOM 918 CA PHE A 61 -4.097 4.023 0.415 1.00 0.00 C ATOM 919 C PHE A 61 -5.518 3.473 0.391 1.00 0.00 C ATOM 920 O PHE A 61 -5.739 2.311 0.051 1.00 0.00 O ATOM 921 CB PHE A 61 -3.569 4.052 1.851 1.00 0.00 C ATOM 922 CG PHE A 61 -3.686 2.736 2.566 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.759 1.727 2.348 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.723 2.503 3.457 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.865 0.516 3.005 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.831 1.295 4.116 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.901 0.299 3.890 1.00 0.00 C ATOM 0 H PHE A 61 -3.694 6.079 0.454 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.467 3.364 -0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.522 4.356 1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.114 4.810 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.945 1.890 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.455 3.276 3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.137 -0.261 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.643 1.129 4.809 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.985 -0.647 4.405 1.00 0.00 H new ATOM 937 N LEU A 62 -6.479 4.315 0.754 1.00 0.00 N ATOM 938 CA LEU A 62 -7.884 3.926 0.745 1.00 0.00 C ATOM 939 C LEU A 62 -8.344 3.558 -0.660 1.00 0.00 C ATOM 940 O LEU A 62 -9.153 2.647 -0.841 1.00 0.00 O ATOM 941 CB LEU A 62 -8.752 5.055 1.312 1.00 0.00 C ATOM 942 CG LEU A 62 -9.106 4.924 2.798 1.00 0.00 C ATOM 943 CD1 LEU A 62 -7.880 4.490 3.591 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.640 6.251 3.315 1.00 0.00 C ATOM 0 H LEU A 62 -6.310 5.274 1.059 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.994 3.045 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.233 6.001 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.677 5.104 0.738 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.878 4.165 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.142 4.400 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.529 3.527 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.090 5.232 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.891 6.155 4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.880 7.022 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.532 6.528 2.754 1.00 0.00 H new ATOM 956 N LYS A 63 -7.824 4.271 -1.654 1.00 0.00 N ATOM 957 CA LYS A 63 -8.164 4.007 -3.047 1.00 0.00 C ATOM 958 C LYS A 63 -7.566 2.689 -3.519 1.00 0.00 C ATOM 959 O LYS A 63 -8.200 1.938 -4.259 1.00 0.00 O ATOM 960 CB LYS A 63 -7.687 5.153 -3.941 1.00 0.00 C ATOM 961 CG LYS A 63 -8.417 6.471 -3.718 1.00 0.00 C ATOM 962 CD LYS A 63 -7.829 7.581 -4.576 1.00 0.00 C ATOM 963 CE LYS A 63 -8.403 8.938 -4.196 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.711 10.052 -4.901 1.00 0.00 N ATOM 0 H LYS A 63 -7.164 5.037 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.249 3.932 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.621 5.309 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.806 4.858 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.474 6.348 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.355 6.750 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.745 7.597 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.035 7.378 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.466 8.962 -4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.315 9.080 -3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.121 10.960 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.698 10.035 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.831 9.940 -5.928 1.00 0.00 H new ATOM 978 N MET A 64 -6.340 2.413 -3.088 1.00 0.00 N ATOM 979 CA MET A 64 -5.655 1.181 -3.461 1.00 0.00 C ATOM 980 C MET A 64 -6.313 -0.032 -2.817 1.00 0.00 C ATOM 981 O MET A 64 -6.499 -1.065 -3.462 1.00 0.00 O ATOM 982 CB MET A 64 -4.182 1.255 -3.064 1.00 0.00 C ATOM 983 CG MET A 64 -3.387 -0.011 -3.354 1.00 0.00 C ATOM 984 SD MET A 64 -3.542 -1.245 -2.048 1.00 0.00 S ATOM 985 CE MET A 64 -2.726 -0.408 -0.692 1.00 0.00 C ATOM 0 H MET A 64 -5.799 3.027 -2.479 1.00 0.00 H new ATOM 0 HA MET A 64 -5.727 1.069 -4.543 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.718 2.089 -3.590 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.116 1.474 -1.998 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.727 -0.441 -4.296 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.336 0.246 -3.482 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.787 -1.024 0.205 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.679 -0.239 -0.946 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.214 0.549 -0.509 1.00 0.00 H new ATOM 995 N MET A 65 -6.667 0.099 -1.543 1.00 0.00 N ATOM 996 CA MET A 65 -7.223 -1.015 -0.783 1.00 0.00 C ATOM 997 C MET A 65 -8.575 -1.440 -1.339 1.00 0.00 C ATOM 998 O MET A 65 -9.019 -2.567 -1.122 1.00 0.00 O ATOM 999 CB MET A 65 -7.352 -0.635 0.690 1.00 0.00 C ATOM 1000 CG MET A 65 -6.032 -0.583 1.446 1.00 0.00 C ATOM 1001 SD MET A 65 -5.181 -2.174 1.470 1.00 0.00 S ATOM 1002 CE MET A 65 -6.267 -3.121 2.533 1.00 0.00 C ATOM 0 H MET A 65 -6.579 0.967 -1.014 1.00 0.00 H new ATOM 0 HA MET A 65 -6.541 -1.861 -0.874 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.835 0.340 0.760 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.010 -1.352 1.181 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.384 0.164 0.987 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.217 -0.259 2.470 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.756 -4.026 2.862 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.539 -2.522 3.402 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.168 -3.393 1.983 1.00 0.00 H new ATOM 1012 N GLU A 66 -9.226 -0.532 -2.058 1.00 0.00 N ATOM 1013 CA GLU A 66 -10.464 -0.853 -2.759 1.00 0.00 C ATOM 1014 C GLU A 66 -10.297 -2.088 -3.633 1.00 0.00 C ATOM 1015 O GLU A 66 -11.188 -2.935 -3.704 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.921 0.336 -3.609 1.00 0.00 C ATOM 1017 CG GLU A 66 -12.257 0.130 -4.308 1.00 0.00 C ATOM 1018 CD GLU A 66 -12.668 1.357 -5.073 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.944 2.323 -5.043 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -13.646 1.293 -5.779 1.00 0.00 O ATOM 0 H GLU A 66 -8.916 0.433 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.226 -1.067 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.990 1.218 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.159 0.544 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.187 -0.719 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.022 -0.115 -3.571 1.00 0.00 H new