USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 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 19 TYR OH : rot 151:sc= 1.03 USER MOD Set 1.2: A 23 LYS NZ :NH3+ -156:sc= 1.26 (180deg=-0.133) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc=-9.38e-05 X(o=-9.4e-05,f=-0.48) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc=-0.00645 (180deg=-0.068) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-1.3) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.014 (180deg=-0.184) USER MOD Single : A 33 SER OG : rot 6:sc= 0.74 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.57) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0789 F(o=-1.7!,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 9.550 -3.736 -5.949 1.00 0.00 N ATOM 35 CA VAL A 3 8.328 -2.951 -5.892 1.00 0.00 C ATOM 36 C VAL A 3 7.134 -3.819 -6.245 1.00 0.00 C ATOM 37 O VAL A 3 6.041 -3.599 -5.761 1.00 0.00 O ATOM 38 CB VAL A 3 8.357 -1.717 -6.851 1.00 0.00 C ATOM 39 CG1 VAL A 3 9.487 -0.765 -6.482 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.463 -2.147 -8.325 1.00 0.00 C ATOM 0 HA VAL A 3 8.244 -2.579 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 3 7.412 -1.188 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.485 0.085 -7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.345 -0.410 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.441 -1.287 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.481 -1.262 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.379 -2.718 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.604 -2.765 -8.586 1.00 0.00 H new ATOM 50 N THR A 4 7.383 -4.821 -7.061 1.00 0.00 N ATOM 51 CA THR A 4 6.377 -5.696 -7.582 1.00 0.00 C ATOM 52 C THR A 4 5.589 -6.421 -6.472 1.00 0.00 C ATOM 53 O THR A 4 4.363 -6.310 -6.383 1.00 0.00 O ATOM 54 CB THR A 4 7.069 -6.717 -8.477 1.00 0.00 C ATOM 55 OG1 THR A 4 7.802 -6.034 -9.505 1.00 0.00 O ATOM 56 CG2 THR A 4 6.071 -7.624 -9.093 1.00 0.00 C ATOM 0 H THR A 4 8.323 -5.049 -7.385 1.00 0.00 H new ATOM 0 HA THR A 4 5.652 -5.103 -8.139 1.00 0.00 H new ATOM 0 HB THR A 4 7.754 -7.311 -7.872 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.248 -6.690 -10.080 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.581 -8.347 -9.729 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.526 -8.150 -8.310 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.372 -7.042 -9.693 1.00 0.00 H new ATOM 64 N LYS A 5 6.301 -7.090 -5.611 1.00 0.00 N ATOM 65 CA LYS A 5 5.712 -7.846 -4.539 1.00 0.00 C ATOM 66 C LYS A 5 5.106 -6.931 -3.480 1.00 0.00 C ATOM 67 O LYS A 5 4.143 -7.304 -2.779 1.00 0.00 O ATOM 68 CB LYS A 5 6.747 -8.786 -3.961 1.00 0.00 C ATOM 69 CG LYS A 5 7.004 -10.025 -4.793 1.00 0.00 C ATOM 70 CD LYS A 5 7.951 -10.969 -4.084 1.00 0.00 C ATOM 71 CE LYS A 5 8.274 -12.179 -4.938 1.00 0.00 C ATOM 72 NZ LYS A 5 9.125 -13.151 -4.222 1.00 0.00 N ATOM 0 H LYS A 5 7.320 -7.127 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 5 4.888 -8.443 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.685 -8.244 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.426 -9.092 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.061 -10.534 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.424 -9.739 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.872 -10.442 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.506 -11.295 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.347 -12.665 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.780 -11.856 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.322 -13.963 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.020 -12.696 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.633 -13.480 -3.367 1.00 0.00 H new ATOM 86 N LEU A 6 5.666 -5.744 -3.364 1.00 0.00 N ATOM 87 CA LEU A 6 5.153 -4.737 -2.464 1.00 0.00 C ATOM 88 C LEU A 6 3.813 -4.239 -2.999 1.00 0.00 C ATOM 89 O LEU A 6 2.825 -4.169 -2.269 1.00 0.00 O ATOM 90 CB LEU A 6 6.152 -3.584 -2.347 1.00 0.00 C ATOM 91 CG LEU A 6 5.794 -2.448 -1.382 1.00 0.00 C ATOM 92 CD1 LEU A 6 5.556 -2.981 0.020 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.906 -1.416 -1.364 1.00 0.00 C ATOM 0 H LEU A 6 6.489 -5.453 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 6 5.009 -5.161 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.113 -3.998 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.291 -3.154 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 6 4.873 -1.980 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.304 -2.155 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.734 -3.697 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.459 -3.474 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.645 -0.612 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.833 -1.886 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.040 -1.008 -2.366 1.00 0.00 H new ATOM 105 N ASN A 7 3.788 -3.949 -4.296 1.00 0.00 N ATOM 106 CA ASN A 7 2.584 -3.495 -4.999 1.00 0.00 C ATOM 107 C ASN A 7 1.501 -4.555 -4.899 1.00 0.00 C ATOM 108 O ASN A 7 0.322 -4.251 -4.793 1.00 0.00 O ATOM 109 CB ASN A 7 2.895 -3.208 -6.479 1.00 0.00 C ATOM 110 CG ASN A 7 1.710 -2.635 -7.253 1.00 0.00 C ATOM 111 OD1 ASN A 7 1.514 -1.423 -7.298 1.00 0.00 O ATOM 112 ND2 ASN A 7 0.935 -3.481 -7.892 1.00 0.00 N ATOM 0 H ASN A 7 4.608 -4.022 -4.898 1.00 0.00 H new ATOM 0 HA ASN A 7 2.236 -2.574 -4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.729 -2.508 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.220 -4.131 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.148 -3.136 -8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.120 -4.483 -7.838 1.00 0.00 H new ATOM 119 N ASP A 8 1.928 -5.804 -4.912 1.00 0.00 N ATOM 120 CA ASP A 8 1.034 -6.949 -4.752 1.00 0.00 C ATOM 121 C ASP A 8 0.301 -6.903 -3.399 1.00 0.00 C ATOM 122 O ASP A 8 -0.859 -7.328 -3.293 1.00 0.00 O ATOM 123 CB ASP A 8 1.803 -8.261 -4.915 1.00 0.00 C ATOM 124 CG ASP A 8 0.942 -9.478 -4.695 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.173 -9.851 -5.609 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.035 -10.088 -3.605 1.00 0.00 O ATOM 0 H ASP A 8 2.908 -6.060 -5.034 1.00 0.00 H new ATOM 0 HA ASP A 8 0.279 -6.896 -5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.232 -8.302 -5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.635 -8.279 -4.210 1.00 0.00 H new ATOM 131 N ARG A 9 0.965 -6.355 -2.365 1.00 0.00 N ATOM 132 CA ARG A 9 0.294 -6.160 -1.070 1.00 0.00 C ATOM 133 C ARG A 9 -0.820 -5.140 -1.238 1.00 0.00 C ATOM 134 O ARG A 9 -1.922 -5.313 -0.724 1.00 0.00 O ATOM 135 CB ARG A 9 1.234 -5.664 0.033 1.00 0.00 C ATOM 136 CG ARG A 9 2.349 -6.604 0.439 1.00 0.00 C ATOM 137 CD ARG A 9 3.043 -6.076 1.692 1.00 0.00 C ATOM 138 NE ARG A 9 2.102 -5.989 2.824 1.00 0.00 N ATOM 139 CZ ARG A 9 2.140 -5.084 3.820 1.00 0.00 C ATOM 140 NH1 ARG A 9 3.066 -4.134 3.854 1.00 0.00 N ATOM 141 NH2 ARG A 9 1.246 -5.140 4.782 1.00 0.00 N ATOM 0 H ARG A 9 1.937 -6.048 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.086 -7.135 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.681 -4.725 -0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.636 -5.441 0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.947 -7.599 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.069 -6.700 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.873 -6.731 1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.465 -5.092 1.490 1.00 0.00 H new ATOM 0 HE ARG A 9 1.352 -6.679 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.768 -4.079 3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.076 -3.459 4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.530 -5.866 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.269 -4.458 5.540 1.00 0.00 H new ATOM 155 N ILE A 10 -0.513 -4.082 -1.986 1.00 0.00 N ATOM 156 CA ILE A 10 -1.477 -3.027 -2.298 1.00 0.00 C ATOM 157 C ILE A 10 -2.687 -3.624 -2.997 1.00 0.00 C ATOM 158 O ILE A 10 -3.823 -3.402 -2.583 1.00 0.00 O ATOM 159 CB ILE A 10 -0.848 -1.870 -3.192 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.046 -0.916 -2.376 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.911 -1.062 -3.951 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.256 -1.538 -1.722 1.00 0.00 C ATOM 0 H ILE A 10 0.410 -3.931 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.778 -2.574 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.225 -2.383 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.385 -0.116 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.564 -0.454 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.425 -0.287 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.470 -1.726 -4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.593 -0.599 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.808 -0.773 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.936 -2.317 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.899 -1.974 -2.487 1.00 0.00 H new ATOM 174 N GLU A 11 -2.435 -4.426 -4.013 1.00 0.00 N ATOM 175 CA GLU A 11 -3.487 -5.018 -4.817 1.00 0.00 C ATOM 176 C GLU A 11 -4.364 -5.981 -4.036 1.00 0.00 C ATOM 177 O GLU A 11 -5.547 -6.109 -4.333 1.00 0.00 O ATOM 178 CB GLU A 11 -2.932 -5.659 -6.062 1.00 0.00 C ATOM 179 CG GLU A 11 -2.200 -4.677 -6.941 1.00 0.00 C ATOM 180 CD GLU A 11 -1.754 -5.274 -8.230 1.00 0.00 C ATOM 181 OE1 GLU A 11 -0.780 -6.038 -8.239 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.363 -4.953 -9.283 1.00 0.00 O ATOM 0 H GLU A 11 -1.493 -4.686 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.137 -4.198 -5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.254 -6.465 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.747 -6.111 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.850 -3.826 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.332 -4.293 -6.404 1.00 0.00 H new ATOM 189 N ALA A 12 -3.810 -6.625 -3.026 1.00 0.00 N ATOM 190 CA ALA A 12 -4.599 -7.508 -2.169 1.00 0.00 C ATOM 191 C ALA A 12 -5.615 -6.684 -1.375 1.00 0.00 C ATOM 192 O ALA A 12 -6.764 -7.102 -1.154 1.00 0.00 O ATOM 193 CB ALA A 12 -3.700 -8.290 -1.231 1.00 0.00 C ATOM 0 H ALA A 12 -2.824 -6.558 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.133 -8.222 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.308 -8.941 -0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.005 -8.894 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.140 -7.598 -0.602 1.00 0.00 H new ATOM 199 N LYS A 13 -5.207 -5.479 -1.017 1.00 0.00 N ATOM 200 CA LYS A 13 -6.053 -4.581 -0.271 1.00 0.00 C ATOM 201 C LYS A 13 -7.075 -3.976 -1.222 1.00 0.00 C ATOM 202 O LYS A 13 -8.202 -3.688 -0.844 1.00 0.00 O ATOM 203 CB LYS A 13 -5.206 -3.493 0.390 1.00 0.00 C ATOM 204 CG LYS A 13 -4.148 -4.025 1.352 1.00 0.00 C ATOM 205 CD LYS A 13 -3.248 -2.913 1.892 1.00 0.00 C ATOM 206 CE LYS A 13 -4.009 -1.899 2.744 1.00 0.00 C ATOM 207 NZ LYS A 13 -4.646 -2.513 3.918 1.00 0.00 N ATOM 0 H LYS A 13 -4.285 -5.103 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.575 -5.122 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.714 -2.909 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.865 -2.813 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.637 -4.531 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.537 -4.769 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.449 -3.355 2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.775 -2.397 1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.323 -1.119 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.771 -1.415 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.018 -1.768 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.427 -3.126 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.945 -3.080 4.437 1.00 0.00 H new ATOM 221 N LYS A 14 -6.665 -3.821 -2.476 1.00 0.00 N ATOM 222 CA LYS A 14 -7.536 -3.334 -3.544 1.00 0.00 C ATOM 223 C LYS A 14 -8.680 -4.309 -3.761 1.00 0.00 C ATOM 224 O LYS A 14 -9.807 -3.907 -3.975 1.00 0.00 O ATOM 225 CB LYS A 14 -6.756 -3.163 -4.860 1.00 0.00 C ATOM 226 CG LYS A 14 -5.584 -2.193 -4.777 1.00 0.00 C ATOM 227 CD LYS A 14 -6.031 -0.772 -4.525 1.00 0.00 C ATOM 228 CE LYS A 14 -6.683 -0.185 -5.766 1.00 0.00 C ATOM 229 NZ LYS A 14 -7.204 1.174 -5.545 1.00 0.00 N ATOM 0 H LYS A 14 -5.715 -4.030 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.929 -2.363 -3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.383 -4.137 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.443 -2.818 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.912 -2.507 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.016 -2.233 -5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.735 -0.749 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.175 -0.162 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.956 -0.163 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.498 -0.835 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.638 1.526 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.918 1.153 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.424 1.804 -5.267 1.00 0.00 H new ATOM 243 N LYS A 15 -8.375 -5.599 -3.673 1.00 0.00 N ATOM 244 CA LYS A 15 -9.384 -6.644 -3.838 1.00 0.00 C ATOM 245 C LYS A 15 -10.400 -6.561 -2.705 1.00 0.00 C ATOM 246 O LYS A 15 -11.593 -6.813 -2.900 1.00 0.00 O ATOM 247 CB LYS A 15 -8.735 -8.047 -3.849 1.00 0.00 C ATOM 248 CG LYS A 15 -7.654 -8.245 -4.908 1.00 0.00 C ATOM 249 CD LYS A 15 -8.186 -8.098 -6.326 1.00 0.00 C ATOM 250 CE LYS A 15 -7.061 -8.162 -7.363 1.00 0.00 C ATOM 251 NZ LYS A 15 -6.276 -9.414 -7.289 1.00 0.00 N ATOM 0 H LYS A 15 -7.435 -5.949 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.883 -6.488 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.301 -8.239 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.516 -8.792 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.856 -7.520 -4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.213 -9.235 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.911 -8.887 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.714 -7.149 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.489 -8.066 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.394 -7.312 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.609 -9.453 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.747 -9.440 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.919 -10.230 -7.335 1.00 0.00 H new ATOM 265 N GLU A 16 -9.925 -6.147 -1.541 1.00 0.00 N ATOM 266 CA GLU A 16 -10.762 -6.037 -0.369 1.00 0.00 C ATOM 267 C GLU A 16 -11.643 -4.819 -0.551 1.00 0.00 C ATOM 268 O GLU A 16 -12.841 -4.852 -0.292 1.00 0.00 O ATOM 269 CB GLU A 16 -9.894 -5.879 0.881 1.00 0.00 C ATOM 270 CG GLU A 16 -10.639 -6.070 2.189 1.00 0.00 C ATOM 271 CD GLU A 16 -11.134 -7.485 2.346 1.00 0.00 C ATOM 272 OE1 GLU A 16 -10.327 -8.369 2.680 1.00 0.00 O ATOM 273 OE2 GLU A 16 -12.328 -7.753 2.115 1.00 0.00 O ATOM 0 H GLU A 16 -8.952 -5.880 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.371 -6.933 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.076 -6.598 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.445 -4.886 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.982 -5.820 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.483 -5.382 2.231 1.00 0.00 H new ATOM 280 N LEU A 17 -11.026 -3.757 -1.044 1.00 0.00 N ATOM 281 CA LEU A 17 -11.699 -2.525 -1.374 1.00 0.00 C ATOM 282 C LEU A 17 -12.819 -2.734 -2.353 1.00 0.00 C ATOM 283 O LEU A 17 -13.879 -2.172 -2.181 1.00 0.00 O ATOM 284 CB LEU A 17 -10.731 -1.490 -1.914 1.00 0.00 C ATOM 285 CG LEU A 17 -10.035 -0.594 -0.901 1.00 0.00 C ATOM 286 CD1 LEU A 17 -9.087 0.344 -1.618 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.068 0.211 -0.118 1.00 0.00 C ATOM 0 H LEU A 17 -10.023 -3.734 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.128 -2.154 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.964 -2.011 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.273 -0.853 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.470 -1.214 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.590 0.985 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.341 -0.237 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.647 0.960 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.560 0.849 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.645 0.829 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.738 -0.470 0.407 1.00 0.00 H new ATOM 299 N ILE A 18 -12.578 -3.535 -3.378 1.00 0.00 N ATOM 300 CA ILE A 18 -13.605 -3.864 -4.365 1.00 0.00 C ATOM 301 C ILE A 18 -14.832 -4.463 -3.668 1.00 0.00 C ATOM 302 O ILE A 18 -15.971 -4.033 -3.915 1.00 0.00 O ATOM 303 CB ILE A 18 -13.057 -4.825 -5.463 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.928 -4.128 -6.240 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.172 -5.264 -6.416 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.247 -4.994 -7.277 1.00 0.00 C ATOM 0 H ILE A 18 -11.674 -3.975 -3.553 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.904 -2.943 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.663 -5.719 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.336 -3.246 -6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.179 -3.778 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.762 -5.934 -7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.948 -5.783 -5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.601 -4.388 -6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.465 -4.420 -7.774 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.805 -5.864 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.980 -5.324 -8.014 1.00 0.00 H new ATOM 318 N TYR A 19 -14.581 -5.394 -2.751 1.00 0.00 N ATOM 319 CA TYR A 19 -15.637 -6.000 -1.958 1.00 0.00 C ATOM 320 C TYR A 19 -16.337 -4.930 -1.112 1.00 0.00 C ATOM 321 O TYR A 19 -17.561 -4.881 -1.046 1.00 0.00 O ATOM 322 CB TYR A 19 -15.070 -7.124 -1.053 1.00 0.00 C ATOM 323 CG TYR A 19 -16.097 -7.739 -0.105 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.924 -8.776 -0.518 1.00 0.00 C ATOM 325 CD2 TYR A 19 -16.243 -7.267 1.199 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.868 -9.320 0.338 1.00 0.00 C ATOM 327 CE2 TYR A 19 -17.178 -7.807 2.056 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.987 -8.832 1.624 1.00 0.00 C ATOM 329 OH TYR A 19 -18.940 -9.367 2.477 1.00 0.00 O ATOM 0 H TYR A 19 -13.646 -5.745 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.366 -6.447 -2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.658 -7.911 -1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.245 -6.721 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.830 -9.164 -1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.611 -6.462 1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.508 -10.122 0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.275 -7.427 3.062 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.629 -9.292 3.403 1.00 0.00 H new ATOM 339 N LEU A 20 -15.551 -4.070 -0.489 1.00 0.00 N ATOM 340 CA LEU A 20 -16.070 -3.007 0.360 1.00 0.00 C ATOM 341 C LEU A 20 -16.928 -2.020 -0.436 1.00 0.00 C ATOM 342 O LEU A 20 -18.001 -1.629 0.017 1.00 0.00 O ATOM 343 CB LEU A 20 -14.939 -2.278 1.096 1.00 0.00 C ATOM 344 CG LEU A 20 -14.054 -3.139 2.012 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.993 -2.299 2.665 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.878 -3.853 3.064 1.00 0.00 C ATOM 0 H LEU A 20 -14.533 -4.087 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.710 -3.475 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.300 -1.801 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.379 -1.482 1.696 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.572 -3.894 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.377 -2.927 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.367 -1.842 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.464 -1.518 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.222 -4.453 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.400 -3.119 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.606 -4.502 2.577 1.00 0.00 H new ATOM 358 N VAL A 21 -16.463 -1.638 -1.615 1.00 0.00 N ATOM 359 CA VAL A 21 -17.224 -0.757 -2.502 1.00 0.00 C ATOM 360 C VAL A 21 -18.560 -1.405 -2.879 1.00 0.00 C ATOM 361 O VAL A 21 -19.590 -0.746 -2.905 1.00 0.00 O ATOM 362 CB VAL A 21 -16.422 -0.367 -3.790 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.273 0.474 -4.742 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.161 0.403 -3.422 1.00 0.00 C ATOM 0 H VAL A 21 -15.557 -1.924 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.414 0.165 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.146 -1.292 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.687 0.728 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.154 -0.094 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.586 1.389 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.617 0.665 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.433 1.312 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.529 -0.217 -2.786 1.00 0.00 H new ATOM 374 N GLU A 22 -18.540 -2.685 -3.153 1.00 0.00 N ATOM 375 CA GLU A 22 -19.763 -3.408 -3.465 1.00 0.00 C ATOM 376 C GLU A 22 -20.693 -3.542 -2.249 1.00 0.00 C ATOM 377 O GLU A 22 -21.914 -3.352 -2.360 1.00 0.00 O ATOM 378 CB GLU A 22 -19.449 -4.786 -4.043 1.00 0.00 C ATOM 379 CG GLU A 22 -18.822 -4.739 -5.420 1.00 0.00 C ATOM 380 CD GLU A 22 -18.508 -6.100 -5.978 1.00 0.00 C ATOM 381 OE1 GLU A 22 -19.448 -6.875 -6.268 1.00 0.00 O ATOM 382 OE2 GLU A 22 -17.323 -6.402 -6.200 1.00 0.00 O ATOM 0 H GLU A 22 -17.694 -3.255 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.291 -2.819 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.776 -5.310 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.369 -5.368 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.497 -4.222 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.904 -4.152 -5.374 1.00 0.00 H new ATOM 389 N LYS A 23 -20.120 -3.856 -1.106 1.00 0.00 N ATOM 390 CA LYS A 23 -20.853 -4.158 0.072 1.00 0.00 C ATOM 391 C LYS A 23 -21.348 -2.905 0.820 1.00 0.00 C ATOM 392 O LYS A 23 -22.497 -2.849 1.245 1.00 0.00 O ATOM 393 CB LYS A 23 -19.942 -4.978 0.962 1.00 0.00 C ATOM 394 CG LYS A 23 -20.628 -5.719 2.051 1.00 0.00 C ATOM 395 CD LYS A 23 -21.517 -6.824 1.481 1.00 0.00 C ATOM 396 CE LYS A 23 -22.225 -7.620 2.562 1.00 0.00 C ATOM 397 NZ LYS A 23 -21.280 -8.283 3.488 1.00 0.00 N ATOM 0 H LYS A 23 -19.109 -3.905 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.754 -4.706 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.401 -5.693 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.200 -4.315 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.888 -6.152 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.231 -5.030 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.259 -6.382 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.910 -7.498 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.878 -6.956 3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.861 -8.373 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.744 -9.103 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.442 -8.601 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.989 -7.611 4.227 1.00 0.00 H new ATOM 411 N TYR A 24 -20.485 -1.930 0.989 1.00 0.00 N ATOM 412 CA TYR A 24 -20.817 -0.734 1.760 1.00 0.00 C ATOM 413 C TYR A 24 -21.031 0.460 0.848 1.00 0.00 C ATOM 414 O TYR A 24 -21.872 1.319 1.115 1.00 0.00 O ATOM 415 CB TYR A 24 -19.705 -0.413 2.763 1.00 0.00 C ATOM 416 CG TYR A 24 -19.409 -1.523 3.743 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.131 -1.655 4.923 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.409 -2.442 3.484 1.00 0.00 C ATOM 419 CE1 TYR A 24 -19.855 -2.677 5.814 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.131 -3.462 4.361 1.00 0.00 C ATOM 421 CZ TYR A 24 -18.853 -3.578 5.522 1.00 0.00 C ATOM 422 OH TYR A 24 -18.568 -4.605 6.399 1.00 0.00 O ATOM 0 H TYR A 24 -19.540 -1.934 0.604 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.742 -0.937 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.794 -0.178 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.982 0.482 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.918 -0.950 5.148 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.835 -2.356 2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -20.420 -2.768 6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.347 -4.170 4.137 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.836 -5.148 6.040 1.00 0.00 H new ATOM 432 N GLY A 25 -20.281 0.508 -0.212 1.00 0.00 N ATOM 433 CA GLY A 25 -20.384 1.599 -1.139 1.00 0.00 C ATOM 434 C GLY A 25 -19.091 2.366 -1.228 1.00 0.00 C ATOM 435 O GLY A 25 -18.247 2.243 -0.349 1.00 0.00 O ATOM 0 H GLY A 25 -19.588 -0.198 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.651 1.218 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.186 2.269 -0.828 1.00 0.00 H new ATOM 439 N PHE A 26 -18.911 3.141 -2.286 1.00 0.00 N ATOM 440 CA PHE A 26 -17.687 3.928 -2.429 1.00 0.00 C ATOM 441 C PHE A 26 -17.716 5.124 -1.486 1.00 0.00 C ATOM 442 O PHE A 26 -16.697 5.503 -0.901 1.00 0.00 O ATOM 443 CB PHE A 26 -17.419 4.372 -3.897 1.00 0.00 C ATOM 444 CG PHE A 26 -18.429 5.323 -4.504 1.00 0.00 C ATOM 445 CD1 PHE A 26 -18.269 6.698 -4.384 1.00 0.00 C ATOM 446 CD2 PHE A 26 -19.522 4.847 -5.192 1.00 0.00 C ATOM 447 CE1 PHE A 26 -19.185 7.566 -4.936 1.00 0.00 C ATOM 448 CE2 PHE A 26 -20.443 5.711 -5.744 1.00 0.00 C ATOM 449 CZ PHE A 26 -20.274 7.071 -5.615 1.00 0.00 C ATOM 0 H PHE A 26 -19.581 3.244 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.855 3.280 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.437 4.843 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.371 3.480 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.416 7.091 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.660 3.781 -5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.049 8.633 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -21.297 5.321 -6.278 1.00 0.00 H new ATOM 0 HZ PHE A 26 -20.996 7.749 -6.046 1.00 0.00 H new ATOM 459 N THR A 27 -18.889 5.697 -1.319 1.00 0.00 N ATOM 460 CA THR A 27 -19.053 6.805 -0.440 1.00 0.00 C ATOM 461 C THR A 27 -19.499 6.289 0.935 1.00 0.00 C ATOM 462 O THR A 27 -20.674 6.326 1.328 1.00 0.00 O ATOM 463 CB THR A 27 -19.978 7.940 -1.040 1.00 0.00 C ATOM 464 OG1 THR A 27 -20.136 9.049 -0.126 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.352 7.411 -1.471 1.00 0.00 C ATOM 0 H THR A 27 -19.743 5.401 -1.791 1.00 0.00 H new ATOM 0 HA THR A 27 -18.094 7.306 -0.313 1.00 0.00 H new ATOM 0 HB THR A 27 -19.465 8.300 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.712 9.729 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 27 -21.947 8.230 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.223 6.644 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 27 -21.863 6.982 -0.609 1.00 0.00 H new ATOM 473 N HIS A 28 -18.562 5.675 1.582 1.00 0.00 N ATOM 474 CA HIS A 28 -18.724 5.128 2.893 1.00 0.00 C ATOM 475 C HIS A 28 -17.463 5.475 3.643 1.00 0.00 C ATOM 476 O HIS A 28 -16.367 5.238 3.126 1.00 0.00 O ATOM 477 CB HIS A 28 -18.931 3.602 2.800 1.00 0.00 C ATOM 478 CG HIS A 28 -19.211 2.916 4.108 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.474 2.633 4.568 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.357 2.431 5.044 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.358 2.006 5.738 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.083 1.854 6.075 1.00 0.00 N ATOM 0 H HIS A 28 -17.627 5.535 1.199 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.597 5.531 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.759 3.404 2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.040 3.156 2.357 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.280 2.486 4.994 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.192 1.666 6.334 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -18.715 1.407 6.915 1.00 0.00 H new ATOM 490 N HIS A 29 -17.611 6.019 4.834 1.00 0.00 N ATOM 491 CA HIS A 29 -16.497 6.574 5.596 1.00 0.00 C ATOM 492 C HIS A 29 -15.329 5.597 5.769 1.00 0.00 C ATOM 493 O HIS A 29 -14.171 5.967 5.556 1.00 0.00 O ATOM 494 CB HIS A 29 -16.971 7.106 6.950 1.00 0.00 C ATOM 495 CG HIS A 29 -15.926 7.906 7.660 1.00 0.00 C ATOM 496 ND1 HIS A 29 -15.504 7.675 8.945 1.00 0.00 N ATOM 497 CD2 HIS A 29 -15.217 8.962 7.218 1.00 0.00 C ATOM 498 CE1 HIS A 29 -14.566 8.580 9.236 1.00 0.00 C ATOM 499 NE2 HIS A 29 -14.352 9.390 8.212 1.00 0.00 N ATOM 0 H HIS A 29 -18.511 6.092 5.308 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.111 7.405 5.006 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.856 7.724 6.802 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.270 6.268 7.580 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -15.309 9.407 6.238 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.050 8.642 10.183 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.691 10.165 8.164 1.00 0.00 H new ATOM 507 N LYS A 30 -15.625 4.358 6.115 1.00 0.00 N ATOM 508 CA LYS A 30 -14.569 3.374 6.298 1.00 0.00 C ATOM 509 C LYS A 30 -13.849 3.055 4.997 1.00 0.00 C ATOM 510 O LYS A 30 -12.630 2.885 4.987 1.00 0.00 O ATOM 511 CB LYS A 30 -15.057 2.113 7.009 1.00 0.00 C ATOM 512 CG LYS A 30 -15.415 2.329 8.477 1.00 0.00 C ATOM 513 CD LYS A 30 -14.213 2.865 9.260 1.00 0.00 C ATOM 514 CE LYS A 30 -14.475 2.941 10.756 1.00 0.00 C ATOM 515 NZ LYS A 30 -14.703 1.610 11.356 1.00 0.00 N ATOM 0 H LYS A 30 -16.571 4.011 6.273 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.835 3.834 6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.932 1.728 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.283 1.348 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.246 3.030 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.750 1.389 8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.351 2.224 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.956 3.857 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.626 3.417 11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.344 3.573 10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.641 1.681 12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.647 1.266 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.982 0.945 11.011 1.00 0.00 H new ATOM 529 N VAL A 31 -14.577 3.057 3.902 1.00 0.00 N ATOM 530 CA VAL A 31 -13.988 2.805 2.596 1.00 0.00 C ATOM 531 C VAL A 31 -13.057 3.970 2.241 1.00 0.00 C ATOM 532 O VAL A 31 -11.943 3.768 1.748 1.00 0.00 O ATOM 533 CB VAL A 31 -15.081 2.611 1.505 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.460 2.349 0.136 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.000 1.462 1.894 1.00 0.00 C ATOM 0 H VAL A 31 -15.582 3.231 3.886 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.415 1.878 2.636 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.661 3.531 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.250 2.218 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.834 3.195 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.851 1.446 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.763 1.331 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.417 0.545 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.479 1.686 2.847 1.00 0.00 H new ATOM 545 N ILE A 32 -13.497 5.177 2.577 1.00 0.00 N ATOM 546 CA ILE A 32 -12.705 6.382 2.374 1.00 0.00 C ATOM 547 C ILE A 32 -11.413 6.309 3.214 1.00 0.00 C ATOM 548 O ILE A 32 -10.324 6.637 2.727 1.00 0.00 O ATOM 549 CB ILE A 32 -13.505 7.664 2.749 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.814 7.730 1.949 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.664 8.918 2.481 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.735 8.859 2.366 1.00 0.00 C ATOM 0 H ILE A 32 -14.411 5.347 2.997 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.453 6.441 1.315 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.743 7.622 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.576 7.841 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.343 6.784 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.238 9.805 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.754 8.881 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.401 8.961 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.637 8.838 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -16.005 8.739 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -15.226 9.813 2.229 1.00 0.00 H new ATOM 564 N SER A 33 -11.524 5.845 4.460 1.00 0.00 N ATOM 565 CA SER A 33 -10.347 5.710 5.306 1.00 0.00 C ATOM 566 C SER A 33 -9.377 4.643 4.761 1.00 0.00 C ATOM 567 O SER A 33 -8.157 4.796 4.861 1.00 0.00 O ATOM 568 CB SER A 33 -10.723 5.471 6.786 1.00 0.00 C ATOM 569 OG SER A 33 -11.551 4.323 6.966 1.00 0.00 O ATOM 0 H SER A 33 -12.402 5.562 4.896 1.00 0.00 H new ATOM 0 HA SER A 33 -9.814 6.661 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.812 5.353 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.239 6.350 7.172 1.00 0.00 H new ATOM 0 HG SER A 33 -11.638 3.846 6.114 1.00 0.00 H new ATOM 575 N PHE A 34 -9.914 3.590 4.135 1.00 0.00 N ATOM 576 CA PHE A 34 -9.065 2.582 3.513 1.00 0.00 C ATOM 577 C PHE A 34 -8.382 3.146 2.287 1.00 0.00 C ATOM 578 O PHE A 34 -7.254 2.803 2.001 1.00 0.00 O ATOM 579 CB PHE A 34 -9.808 1.294 3.154 1.00 0.00 C ATOM 580 CG PHE A 34 -10.166 0.418 4.319 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.175 -0.128 5.119 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.481 0.122 4.602 1.00 0.00 C ATOM 583 CE1 PHE A 34 -9.497 -0.947 6.180 1.00 0.00 C ATOM 584 CE2 PHE A 34 -11.810 -0.699 5.660 1.00 0.00 C ATOM 585 CZ PHE A 34 -10.818 -1.234 6.452 1.00 0.00 C ATOM 0 H PHE A 34 -10.916 3.419 4.049 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.319 2.313 4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.723 1.557 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.192 0.719 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.138 0.091 4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.265 0.538 3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.715 -1.364 6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.846 -0.923 5.868 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.074 -1.875 7.282 1.00 0.00 H new ATOM 595 N SER A 35 -9.061 4.036 1.584 1.00 0.00 N ATOM 596 CA SER A 35 -8.493 4.686 0.417 1.00 0.00 C ATOM 597 C SER A 35 -7.243 5.477 0.840 1.00 0.00 C ATOM 598 O SER A 35 -6.203 5.427 0.172 1.00 0.00 O ATOM 599 CB SER A 35 -9.542 5.610 -0.239 1.00 0.00 C ATOM 600 OG SER A 35 -9.080 6.159 -1.474 1.00 0.00 O ATOM 0 H SER A 35 -10.014 4.326 1.804 1.00 0.00 H new ATOM 0 HA SER A 35 -8.202 3.937 -0.320 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.460 5.048 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.790 6.420 0.447 1.00 0.00 H new ATOM 0 HG SER A 35 -9.774 6.736 -1.856 1.00 0.00 H new ATOM 606 N GLN A 36 -7.336 6.143 1.990 1.00 0.00 N ATOM 607 CA GLN A 36 -6.225 6.916 2.544 1.00 0.00 C ATOM 608 C GLN A 36 -5.097 5.982 2.971 1.00 0.00 C ATOM 609 O GLN A 36 -3.921 6.324 2.891 1.00 0.00 O ATOM 610 CB GLN A 36 -6.695 7.726 3.745 1.00 0.00 C ATOM 611 CG GLN A 36 -7.843 8.675 3.450 1.00 0.00 C ATOM 612 CD GLN A 36 -8.293 9.427 4.679 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.495 9.721 5.579 1.00 0.00 O ATOM 614 NE2 GLN A 36 -9.557 9.735 4.746 1.00 0.00 N ATOM 0 H GLN A 36 -8.180 6.162 2.562 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.858 7.595 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.001 7.039 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.854 8.301 4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.536 9.386 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.683 8.111 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.186 9.477 3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.918 10.234 5.559 1.00 0.00 H new ATOM 623 N GLU A 37 -5.466 4.801 3.414 1.00 0.00 N ATOM 624 CA GLU A 37 -4.501 3.806 3.811 1.00 0.00 C ATOM 625 C GLU A 37 -3.788 3.254 2.573 1.00 0.00 C ATOM 626 O GLU A 37 -2.565 3.149 2.545 1.00 0.00 O ATOM 627 CB GLU A 37 -5.185 2.697 4.600 1.00 0.00 C ATOM 628 CG GLU A 37 -4.242 1.646 5.129 1.00 0.00 C ATOM 629 CD GLU A 37 -4.932 0.649 5.992 1.00 0.00 C ATOM 630 OE1 GLU A 37 -5.309 1.001 7.133 1.00 0.00 O ATOM 631 OE2 GLU A 37 -5.111 -0.496 5.570 1.00 0.00 O ATOM 0 H GLU A 37 -6.438 4.506 3.508 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.753 4.262 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.724 3.141 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.927 2.216 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.768 1.133 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.447 2.128 5.699 1.00 0.00 H new ATOM 638 N LEU A 38 -4.559 2.947 1.536 1.00 0.00 N ATOM 639 CA LEU A 38 -4.013 2.481 0.258 1.00 0.00 C ATOM 640 C LEU A 38 -3.087 3.510 -0.341 1.00 0.00 C ATOM 641 O LEU A 38 -2.119 3.164 -1.001 1.00 0.00 O ATOM 642 CB LEU A 38 -5.123 2.123 -0.742 1.00 0.00 C ATOM 643 CG LEU A 38 -5.609 0.666 -0.753 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.486 -0.256 -1.170 1.00 0.00 C ATOM 645 CD2 LEU A 38 -6.172 0.244 0.595 1.00 0.00 C ATOM 0 H LEU A 38 -5.577 3.012 1.553 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.445 1.575 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.981 2.765 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.769 2.370 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.419 0.594 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.843 -1.286 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.146 0.014 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.658 -0.162 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.504 -0.793 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.399 0.339 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.017 0.883 0.852 1.00 0.00 H new ATOM 657 N ASP A 39 -3.396 4.766 -0.093 1.00 0.00 N ATOM 658 CA ASP A 39 -2.569 5.890 -0.510 1.00 0.00 C ATOM 659 C ASP A 39 -1.172 5.741 0.078 1.00 0.00 C ATOM 660 O ASP A 39 -0.168 5.823 -0.633 1.00 0.00 O ATOM 661 CB ASP A 39 -3.195 7.193 -0.003 1.00 0.00 C ATOM 662 CG ASP A 39 -2.401 8.428 -0.338 1.00 0.00 C ATOM 663 OD1 ASP A 39 -1.391 8.700 0.325 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.801 9.171 -1.253 1.00 0.00 O ATOM 0 H ASP A 39 -4.239 5.043 0.410 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.505 5.911 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.195 7.291 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.311 7.131 1.079 1.00 0.00 H new ATOM 669 N ARG A 40 -1.125 5.459 1.372 1.00 0.00 N ATOM 670 CA ARG A 40 0.132 5.330 2.083 1.00 0.00 C ATOM 671 C ARG A 40 0.880 4.067 1.668 1.00 0.00 C ATOM 672 O ARG A 40 2.104 4.100 1.489 1.00 0.00 O ATOM 673 CB ARG A 40 -0.072 5.368 3.599 1.00 0.00 C ATOM 674 CG ARG A 40 -0.774 6.624 4.117 1.00 0.00 C ATOM 675 CD ARG A 40 -0.126 7.897 3.584 1.00 0.00 C ATOM 676 NE ARG A 40 -0.614 9.093 4.274 1.00 0.00 N ATOM 677 CZ ARG A 40 -1.028 10.230 3.695 1.00 0.00 C ATOM 678 NH1 ARG A 40 -1.260 10.299 2.394 1.00 0.00 N ATOM 679 NH2 ARG A 40 -1.259 11.291 4.446 1.00 0.00 N ATOM 0 H ARG A 40 -1.952 5.315 1.952 1.00 0.00 H new ATOM 0 HA ARG A 40 0.745 6.189 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.653 4.495 3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.900 5.285 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.824 6.601 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.747 6.632 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.956 7.828 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.328 7.987 2.517 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.642 9.058 5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.125 9.476 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.574 11.176 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.122 11.241 5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.574 12.161 4.017 1.00 0.00 H new ATOM 693 N LEU A 41 0.142 2.965 1.505 1.00 0.00 N ATOM 694 CA LEU A 41 0.723 1.705 1.028 1.00 0.00 C ATOM 695 C LEU A 41 1.304 1.873 -0.375 1.00 0.00 C ATOM 696 O LEU A 41 2.413 1.432 -0.654 1.00 0.00 O ATOM 697 CB LEU A 41 -0.300 0.538 1.043 1.00 0.00 C ATOM 698 CG LEU A 41 -0.496 -0.260 2.358 1.00 0.00 C ATOM 699 CD1 LEU A 41 0.778 -0.973 2.760 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.996 0.609 3.493 1.00 0.00 C ATOM 0 H LEU A 41 -0.859 2.919 1.696 1.00 0.00 H new ATOM 0 HA LEU A 41 1.524 1.448 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.270 0.944 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.007 -0.169 0.267 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.265 -1.005 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.610 -1.524 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.070 -1.667 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.572 -0.242 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.116 0.002 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.276 1.404 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.956 1.047 3.220 1.00 0.00 H new ATOM 712 N LEU A 42 0.558 2.538 -1.245 1.00 0.00 N ATOM 713 CA LEU A 42 0.997 2.792 -2.616 1.00 0.00 C ATOM 714 C LEU A 42 2.208 3.699 -2.617 1.00 0.00 C ATOM 715 O LEU A 42 3.094 3.586 -3.469 1.00 0.00 O ATOM 716 CB LEU A 42 -0.126 3.444 -3.437 1.00 0.00 C ATOM 717 CG LEU A 42 0.214 3.805 -4.893 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.480 2.562 -5.729 1.00 0.00 C ATOM 719 CD2 LEU A 42 -0.879 4.659 -5.508 1.00 0.00 C ATOM 0 H LEU A 42 -0.364 2.916 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 42 1.257 1.835 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.981 2.768 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.441 4.353 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 42 1.133 4.391 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.717 2.855 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.320 2.012 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.406 1.927 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.616 4.901 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.821 4.110 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.987 5.580 -4.935 1.00 0.00 H new ATOM 731 N ASN A 43 2.264 4.581 -1.652 1.00 0.00 N ATOM 732 CA ASN A 43 3.346 5.516 -1.580 1.00 0.00 C ATOM 733 C ASN A 43 4.648 4.821 -1.193 1.00 0.00 C ATOM 734 O ASN A 43 5.707 5.308 -1.525 1.00 0.00 O ATOM 735 CB ASN A 43 3.060 6.667 -0.617 1.00 0.00 C ATOM 736 CG ASN A 43 4.049 7.813 -0.795 1.00 0.00 C ATOM 737 OD1 ASN A 43 4.385 8.122 -2.022 1.00 0.00 O flip ATOM 738 ND2 ASN A 43 4.445 8.462 0.161 1.00 0.00 N flip ATOM 0 H ASN A 43 1.571 4.668 -0.908 1.00 0.00 H new ATOM 0 HA ASN A 43 3.453 5.941 -2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.046 7.033 -0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.107 6.303 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.167 8.199 1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.053 9.267 0.014 1.00 0.00 H new ATOM 745 N LEU A 44 4.552 3.655 -0.534 1.00 0.00 N ATOM 746 CA LEU A 44 5.739 2.893 -0.115 1.00 0.00 C ATOM 747 C LEU A 44 6.640 2.580 -1.295 1.00 0.00 C ATOM 748 O LEU A 44 7.850 2.806 -1.236 1.00 0.00 O ATOM 749 CB LEU A 44 5.352 1.588 0.586 1.00 0.00 C ATOM 750 CG LEU A 44 4.654 1.704 1.939 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.230 0.329 2.411 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.584 2.333 2.965 1.00 0.00 C ATOM 0 H LEU A 44 3.665 3.220 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 44 6.282 3.523 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.701 1.025 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.257 0.996 0.722 1.00 0.00 H new ATOM 0 HG LEU A 44 3.775 2.339 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.732 0.413 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.544 -0.109 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.109 -0.309 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.071 2.408 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.474 1.714 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.875 3.329 2.630 1.00 0.00 H new ATOM 764 N LEU A 45 6.054 2.096 -2.382 1.00 0.00 N ATOM 765 CA LEU A 45 6.846 1.777 -3.554 1.00 0.00 C ATOM 766 C LEU A 45 7.340 3.026 -4.253 1.00 0.00 C ATOM 767 O LEU A 45 8.442 3.042 -4.756 1.00 0.00 O ATOM 768 CB LEU A 45 6.182 0.776 -4.547 1.00 0.00 C ATOM 769 CG LEU A 45 4.746 1.044 -5.027 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.524 0.357 -6.365 1.00 0.00 C ATOM 771 CD2 LEU A 45 3.741 0.484 -4.026 1.00 0.00 C ATOM 0 H LEU A 45 5.054 1.920 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 45 7.710 1.238 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.818 0.717 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.194 -0.208 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 45 4.606 2.121 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.506 0.546 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.231 0.748 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.675 -0.717 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.728 0.681 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.888 -0.591 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.887 0.962 -3.057 1.00 0.00 H new ATOM 783 N ILE A 46 6.543 4.083 -4.230 1.00 0.00 N ATOM 784 CA ILE A 46 6.937 5.358 -4.839 1.00 0.00 C ATOM 785 C ILE A 46 8.136 5.948 -4.072 1.00 0.00 C ATOM 786 O ILE A 46 9.158 6.317 -4.662 1.00 0.00 O ATOM 787 CB ILE A 46 5.757 6.378 -4.819 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.542 5.804 -5.566 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.183 7.714 -5.437 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.305 6.684 -5.516 1.00 0.00 C ATOM 0 H ILE A 46 5.619 4.090 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 46 7.214 5.170 -5.876 1.00 0.00 H new ATOM 0 HB ILE A 46 5.476 6.557 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.815 5.640 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.298 4.829 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.345 8.410 -5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.016 8.129 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.492 7.555 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.495 6.205 -6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.003 6.828 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.528 7.651 -5.966 1.00 0.00 H new ATOM 802 N GLU A 47 7.998 5.985 -2.762 1.00 0.00 N ATOM 803 CA GLU A 47 8.995 6.509 -1.845 1.00 0.00 C ATOM 804 C GLU A 47 10.301 5.718 -1.969 1.00 0.00 C ATOM 805 O GLU A 47 11.388 6.298 -2.135 1.00 0.00 O ATOM 806 CB GLU A 47 8.447 6.397 -0.415 1.00 0.00 C ATOM 807 CG GLU A 47 9.327 6.988 0.666 1.00 0.00 C ATOM 808 CD GLU A 47 9.428 8.487 0.599 1.00 0.00 C ATOM 809 OE1 GLU A 47 8.602 9.178 1.231 1.00 0.00 O ATOM 810 OE2 GLU A 47 10.358 9.004 -0.027 1.00 0.00 O ATOM 0 H GLU A 47 7.162 5.640 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 47 9.204 7.551 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.475 6.888 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.281 5.344 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.934 6.701 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.326 6.560 0.586 1.00 0.00 H new