USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 615 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 14 THR OG1 : rot 180:sc= 0.203 USER MOD Set 1.2: A 19 GLN : amide:sc= 0.211 X(o=0.41,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.25) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.755 K(o=0.75,f=-3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 130:sc= -0.0302 USER MOD Single : A 32 THR OG1 : rot -153:sc= 0.801 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.319 K(o=-0.32,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.959 X(o=-0.96,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc=-0.00386 X(o=-0.0039,f=0) USER MOD Single : A 52 SER OG : rot -45:sc= -0.0327 USER MOD Single : A 53 HIS : no HE2:sc= -0.225 K(o=-0.23,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot 58:sc= 1.18 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -163:sc= -0.654 (180deg=-1.31) USER MOD Single : A 60 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.84) USER MOD Single : A 61 TYR OH : rot 55:sc= 0.728 USER MOD Single : A 65 THR OG1 : rot -110:sc= -0.0672 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0457) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0.553 (180deg=0.5) USER MOD Single : A 75 TYR OH : rot 0:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0.174 K(o=0.17,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 5 -4.754 -13.579 -7.069 1.00 0.00 N ATOM 36 CA ILE A 5 -4.528 -12.456 -6.171 1.00 0.00 C ATOM 37 C ILE A 5 -5.808 -11.719 -5.834 1.00 0.00 C ATOM 38 O ILE A 5 -5.861 -11.011 -4.834 1.00 0.00 O ATOM 39 CB ILE A 5 -3.477 -11.514 -6.793 1.00 0.00 C ATOM 40 CG1 ILE A 5 -3.865 -10.969 -8.194 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.145 -12.268 -6.877 1.00 0.00 C ATOM 42 CD1 ILE A 5 -4.528 -9.589 -8.158 1.00 0.00 C ATOM 0 HA ILE A 5 -4.150 -12.842 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.404 -10.639 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.970 -10.916 -8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.543 -11.675 -8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.387 -11.619 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.833 -12.568 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.267 -13.154 -7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.770 -9.275 -9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.442 -9.640 -7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.844 -8.869 -7.709 1.00 0.00 H new ATOM 54 N ASP A 6 -6.846 -11.909 -6.644 1.00 0.00 N ATOM 55 CA ASP A 6 -8.116 -11.220 -6.484 1.00 0.00 C ATOM 56 C ASP A 6 -8.817 -11.646 -5.191 1.00 0.00 C ATOM 57 O ASP A 6 -9.531 -10.861 -4.579 1.00 0.00 O ATOM 58 CB ASP A 6 -8.970 -11.521 -7.709 1.00 0.00 C ATOM 59 CG ASP A 6 -10.063 -10.465 -7.866 1.00 0.00 C ATOM 60 OD1 ASP A 6 -11.158 -10.647 -7.291 1.00 0.00 O ATOM 61 OD2 ASP A 6 -9.840 -9.491 -8.633 1.00 0.00 O ATOM 0 H ASP A 6 -6.826 -12.552 -7.436 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.952 -10.145 -6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.344 -11.542 -8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.420 -12.509 -7.613 1.00 0.00 H new ATOM 66 N GLN A 7 -8.520 -12.862 -4.722 1.00 0.00 N ATOM 67 CA GLN A 7 -8.935 -13.399 -3.434 1.00 0.00 C ATOM 68 C GLN A 7 -8.407 -12.607 -2.234 1.00 0.00 C ATOM 69 O GLN A 7 -9.000 -12.684 -1.154 1.00 0.00 O ATOM 70 CB GLN A 7 -8.478 -14.859 -3.363 1.00 0.00 C ATOM 71 CG GLN A 7 -6.950 -15.056 -3.479 1.00 0.00 C ATOM 72 CD GLN A 7 -6.592 -16.136 -4.496 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.115 -16.153 -5.611 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.683 -17.023 -4.145 1.00 0.00 N ATOM 0 H GLN A 7 -7.959 -13.524 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.020 -13.320 -3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.817 -15.288 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.966 -15.419 -4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.483 -14.115 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.544 -15.326 -2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.266 -16.985 -3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.396 -17.747 -4.804 1.00 0.00 H new ATOM 83 N TYR A 8 -7.312 -11.863 -2.403 1.00 0.00 N ATOM 84 CA TYR A 8 -6.774 -10.953 -1.405 1.00 0.00 C ATOM 85 C TYR A 8 -7.147 -9.505 -1.726 1.00 0.00 C ATOM 86 O TYR A 8 -6.619 -8.627 -1.051 1.00 0.00 O ATOM 87 CB TYR A 8 -5.244 -11.087 -1.328 1.00 0.00 C ATOM 88 CG TYR A 8 -4.746 -12.501 -1.149 1.00 0.00 C ATOM 89 CD1 TYR A 8 -4.938 -13.172 0.070 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.131 -13.157 -2.228 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.543 -14.518 0.193 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.727 -14.494 -2.113 1.00 0.00 C ATOM 93 CZ TYR A 8 -3.933 -15.183 -0.898 1.00 0.00 C ATOM 94 OH TYR A 8 -3.592 -16.496 -0.805 1.00 0.00 O ATOM 0 H TYR A 8 -6.764 -11.882 -3.263 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.208 -11.219 -0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.810 -10.675 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.880 -10.480 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.386 -12.659 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.968 -12.626 -3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.706 -15.044 1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.261 -14.994 -2.949 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.186 -16.789 -1.647 1.00 0.00 H new ATOM 104 N ALA A 9 -7.953 -9.211 -2.758 1.00 0.00 N ATOM 105 CA ALA A 9 -8.285 -7.836 -3.097 1.00 0.00 C ATOM 106 C ALA A 9 -9.507 -7.399 -2.305 1.00 0.00 C ATOM 107 O ALA A 9 -10.620 -7.880 -2.544 1.00 0.00 O ATOM 108 CB ALA A 9 -8.519 -7.677 -4.607 1.00 0.00 C ATOM 0 H ALA A 9 -8.381 -9.910 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.444 -7.195 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.765 -6.639 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.615 -7.959 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.343 -8.320 -4.917 1.00 0.00 H new ATOM 114 N LEU A 10 -9.298 -6.476 -1.365 1.00 0.00 N ATOM 115 CA LEU A 10 -10.378 -5.905 -0.566 1.00 0.00 C ATOM 116 C LEU A 10 -11.015 -4.811 -1.405 1.00 0.00 C ATOM 117 O LEU A 10 -10.734 -4.613 -2.591 1.00 0.00 O ATOM 118 CB LEU A 10 -9.995 -5.332 0.832 1.00 0.00 C ATOM 119 CG LEU A 10 -9.300 -6.387 1.688 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.902 -6.388 1.158 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.256 -6.259 3.207 1.00 0.00 C ATOM 0 H LEU A 10 -8.375 -6.105 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.048 -6.730 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.339 -4.470 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.892 -4.979 1.342 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.896 -7.295 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.306 -7.118 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.914 -6.650 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.466 -5.397 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.718 -7.108 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.746 -5.335 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.272 -6.242 3.600 1.00 0.00 H new ATOM 133 N LYS A 11 -11.794 -4.018 -0.700 1.00 0.00 N ATOM 134 CA LYS A 11 -12.281 -2.721 -1.128 1.00 0.00 C ATOM 135 C LYS A 11 -12.152 -1.649 -0.058 1.00 0.00 C ATOM 136 O LYS A 11 -12.242 -0.470 -0.387 1.00 0.00 O ATOM 137 CB LYS A 11 -13.709 -2.848 -1.661 1.00 0.00 C ATOM 138 CG LYS A 11 -14.642 -3.758 -0.851 1.00 0.00 C ATOM 139 CD LYS A 11 -15.936 -4.121 -1.572 1.00 0.00 C ATOM 140 CE LYS A 11 -16.763 -2.878 -1.893 1.00 0.00 C ATOM 141 NZ LYS A 11 -18.024 -3.230 -2.578 1.00 0.00 N ATOM 0 H LYS A 11 -12.121 -4.271 0.232 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.640 -2.381 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.151 -1.853 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.664 -3.223 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.109 -4.675 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.888 -3.264 0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.703 -4.653 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.522 -4.799 -0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.986 -2.340 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.181 -2.205 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.562 -2.364 -2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.810 -3.722 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.589 -3.853 -1.966 1.00 0.00 H new ATOM 155 N GLU A 12 -11.899 -2.019 1.196 1.00 0.00 N ATOM 156 CA GLU A 12 -12.093 -1.133 2.352 1.00 0.00 C ATOM 157 C GLU A 12 -11.751 -1.862 3.647 1.00 0.00 C ATOM 158 O GLU A 12 -11.678 -3.095 3.662 1.00 0.00 O ATOM 159 CB GLU A 12 -13.532 -0.580 2.400 1.00 0.00 C ATOM 160 CG GLU A 12 -14.641 -1.636 2.414 1.00 0.00 C ATOM 161 CD GLU A 12 -15.863 -1.263 1.561 1.00 0.00 C ATOM 162 OE1 GLU A 12 -15.734 -0.790 0.415 1.00 0.00 O ATOM 163 OE2 GLU A 12 -17.003 -1.524 2.008 1.00 0.00 O ATOM 0 H GLU A 12 -11.552 -2.945 1.444 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.416 -0.285 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.635 0.042 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.683 0.069 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.234 -2.581 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.963 -1.797 3.443 1.00 0.00 H new ATOM 170 N PHE A 13 -11.463 -1.108 4.707 1.00 0.00 N ATOM 171 CA PHE A 13 -10.948 -1.595 5.983 1.00 0.00 C ATOM 172 C PHE A 13 -11.049 -0.480 7.023 1.00 0.00 C ATOM 173 O PHE A 13 -11.510 0.626 6.721 1.00 0.00 O ATOM 174 CB PHE A 13 -9.469 -2.038 5.856 1.00 0.00 C ATOM 175 CG PHE A 13 -8.481 -0.952 5.433 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.532 -0.369 4.148 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.471 -0.538 6.326 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.609 0.618 3.765 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.560 0.466 5.949 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.637 1.053 4.677 1.00 0.00 C ATOM 0 H PHE A 13 -11.588 -0.096 4.698 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.542 -2.457 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.147 -2.441 6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.415 -2.853 5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.292 -0.687 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.396 -0.993 7.303 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.648 1.040 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.797 0.787 6.643 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.949 1.838 4.401 1.00 0.00 H new ATOM 190 N THR A 14 -10.525 -0.764 8.213 1.00 0.00 N ATOM 191 CA THR A 14 -10.096 0.234 9.168 1.00 0.00 C ATOM 192 C THR A 14 -8.671 -0.160 9.547 1.00 0.00 C ATOM 193 O THR A 14 -8.403 -1.341 9.780 1.00 0.00 O ATOM 194 CB THR A 14 -11.022 0.237 10.396 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.386 0.172 10.024 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.831 1.464 11.289 1.00 0.00 C ATOM 0 H THR A 14 -10.387 -1.720 8.540 1.00 0.00 H new ATOM 0 HA THR A 14 -10.133 1.242 8.756 1.00 0.00 H new ATOM 0 HB THR A 14 -10.743 -0.653 10.959 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.945 0.174 10.829 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.513 1.406 12.137 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.803 1.494 11.651 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.040 2.367 10.716 1.00 0.00 H new ATOM 204 N ALA A 15 -7.757 0.802 9.602 1.00 0.00 N ATOM 205 CA ALA A 15 -6.515 0.711 10.356 1.00 0.00 C ATOM 206 C ALA A 15 -6.383 2.031 11.091 1.00 0.00 C ATOM 207 O ALA A 15 -6.993 3.012 10.687 1.00 0.00 O ATOM 208 CB ALA A 15 -5.309 0.485 9.438 1.00 0.00 C ATOM 0 H ALA A 15 -7.863 1.689 9.110 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.538 -0.138 11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.401 0.423 10.038 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.442 -0.444 8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.224 1.316 8.737 1.00 0.00 H new ATOM 214 N ASP A 16 -5.550 2.099 12.126 1.00 0.00 N ATOM 215 CA ASP A 16 -5.080 3.373 12.677 1.00 0.00 C ATOM 216 C ASP A 16 -6.207 4.251 13.242 1.00 0.00 C ATOM 217 O ASP A 16 -6.050 5.468 13.371 1.00 0.00 O ATOM 218 CB ASP A 16 -4.335 4.127 11.566 1.00 0.00 C ATOM 219 CG ASP A 16 -3.081 4.860 11.998 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.312 4.282 12.797 1.00 0.00 O ATOM 221 OD2 ASP A 16 -2.804 5.939 11.422 1.00 0.00 O ATOM 0 H ASP A 16 -5.181 1.278 12.607 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.425 3.151 13.519 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.067 3.415 10.785 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.020 4.848 11.119 1.00 0.00 H new ATOM 226 N PHE A 17 -7.351 3.637 13.563 1.00 0.00 N ATOM 227 CA PHE A 17 -8.605 4.286 13.948 1.00 0.00 C ATOM 228 C PHE A 17 -9.182 5.172 12.826 1.00 0.00 C ATOM 229 O PHE A 17 -9.896 6.143 13.101 1.00 0.00 O ATOM 230 CB PHE A 17 -8.453 5.032 15.285 1.00 0.00 C ATOM 231 CG PHE A 17 -7.553 4.377 16.313 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.010 3.313 17.113 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.228 4.832 16.443 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.137 2.715 18.040 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.356 4.231 17.359 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.810 3.169 18.155 1.00 0.00 C ATOM 0 H PHE A 17 -7.429 2.620 13.560 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.345 3.501 14.103 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.069 6.031 15.079 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.443 5.155 15.724 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.025 2.958 17.016 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.881 5.651 15.831 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.486 1.906 18.665 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.339 4.583 17.452 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.139 2.698 18.858 1.00 0.00 H new ATOM 246 N THR A 18 -8.913 4.819 11.570 1.00 0.00 N ATOM 247 CA THR A 18 -9.331 5.490 10.352 1.00 0.00 C ATOM 248 C THR A 18 -9.949 4.431 9.426 1.00 0.00 C ATOM 249 O THR A 18 -9.315 3.418 9.122 1.00 0.00 O ATOM 250 CB THR A 18 -8.103 6.160 9.707 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.401 6.996 10.622 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.532 7.003 8.505 1.00 0.00 C ATOM 0 H THR A 18 -8.353 3.991 11.368 1.00 0.00 H new ATOM 0 HA THR A 18 -10.071 6.266 10.550 1.00 0.00 H new ATOM 0 HB THR A 18 -7.436 5.358 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.629 7.399 10.171 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.655 7.471 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.018 6.364 7.768 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.229 7.775 8.832 1.00 0.00 H new ATOM 260 N GLN A 19 -11.202 4.622 9.018 1.00 0.00 N ATOM 261 CA GLN A 19 -11.833 3.823 7.978 1.00 0.00 C ATOM 262 C GLN A 19 -11.377 4.358 6.620 1.00 0.00 C ATOM 263 O GLN A 19 -11.198 5.568 6.466 1.00 0.00 O ATOM 264 CB GLN A 19 -13.357 3.913 8.141 1.00 0.00 C ATOM 265 CG GLN A 19 -14.128 3.006 7.174 1.00 0.00 C ATOM 266 CD GLN A 19 -15.221 2.231 7.892 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.402 2.572 7.803 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.842 1.180 8.599 1.00 0.00 N ATOM 0 H GLN A 19 -11.810 5.343 9.406 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.547 2.774 8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.622 3.648 9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.671 4.945 7.987 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.569 3.609 6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.438 2.309 6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.855 0.928 8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.537 0.621 9.094 1.00 0.00 H new ATOM 277 N PHE A 20 -11.244 3.480 5.627 1.00 0.00 N ATOM 278 CA PHE A 20 -10.829 3.839 4.278 1.00 0.00 C ATOM 279 C PHE A 20 -11.500 2.934 3.263 1.00 0.00 C ATOM 280 O PHE A 20 -11.839 1.789 3.579 1.00 0.00 O ATOM 281 CB PHE A 20 -9.332 3.608 4.132 1.00 0.00 C ATOM 282 CG PHE A 20 -8.395 4.323 5.081 1.00 0.00 C ATOM 283 CD1 PHE A 20 -7.967 5.641 4.826 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.871 3.613 6.176 1.00 0.00 C ATOM 285 CE1 PHE A 20 -6.948 6.207 5.611 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.850 4.178 6.957 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.366 5.459 6.648 1.00 0.00 C ATOM 0 H PHE A 20 -11.425 2.483 5.743 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.098 4.882 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.151 2.538 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.051 3.887 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.420 6.214 4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.254 2.632 6.416 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.613 7.215 5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.439 3.630 7.792 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.542 5.872 7.211 1.00 0.00 H new ATOM 297 N HIS A 21 -11.569 3.413 2.023 1.00 0.00 N ATOM 298 CA HIS A 21 -12.134 2.704 0.886 1.00 0.00 C ATOM 299 C HIS A 21 -11.238 2.923 -0.332 1.00 0.00 C ATOM 300 O HIS A 21 -10.302 3.729 -0.285 1.00 0.00 O ATOM 301 CB HIS A 21 -13.563 3.202 0.613 1.00 0.00 C ATOM 302 CG HIS A 21 -14.412 3.367 1.847 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.381 4.456 2.684 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.285 2.457 2.372 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.188 4.195 3.723 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.752 2.980 3.585 1.00 0.00 N ATOM 0 H HIS A 21 -11.219 4.339 1.778 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.185 1.637 1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.508 4.159 0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.056 2.502 -0.061 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.841 5.310 2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.564 1.510 1.933 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.361 4.864 4.553 1.00 0.00 H new ATOM 314 N ILE A 22 -11.530 2.234 -1.439 1.00 0.00 N ATOM 315 CA ILE A 22 -10.952 2.556 -2.738 1.00 0.00 C ATOM 316 C ILE A 22 -11.360 3.990 -3.057 1.00 0.00 C ATOM 317 O ILE A 22 -12.521 4.260 -3.371 1.00 0.00 O ATOM 318 CB ILE A 22 -11.424 1.591 -3.852 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.175 0.100 -3.563 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.792 1.969 -5.204 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.781 -0.268 -3.045 1.00 0.00 C ATOM 0 H ILE A 22 -12.172 1.441 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.868 2.449 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.506 1.714 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.911 -0.234 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.359 -0.461 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.137 1.278 -5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.084 2.985 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.706 1.913 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.727 -1.344 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.031 0.024 -3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.592 0.254 -2.107 1.00 0.00 H new ATOM 333 N GLY A 23 -10.394 4.898 -2.991 1.00 0.00 N ATOM 334 CA GLY A 23 -10.588 6.302 -3.305 1.00 0.00 C ATOM 335 C GLY A 23 -10.625 7.231 -2.093 1.00 0.00 C ATOM 336 O GLY A 23 -10.810 8.429 -2.299 1.00 0.00 O ATOM 0 H GLY A 23 -9.439 4.672 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.786 6.625 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.522 6.411 -3.857 1.00 0.00 H new ATOM 340 N ASP A 24 -10.435 6.725 -0.870 1.00 0.00 N ATOM 341 CA ASP A 24 -10.068 7.569 0.276 1.00 0.00 C ATOM 342 C ASP A 24 -8.639 8.077 0.056 1.00 0.00 C ATOM 343 O ASP A 24 -7.998 7.732 -0.942 1.00 0.00 O ATOM 344 CB ASP A 24 -10.163 6.781 1.597 1.00 0.00 C ATOM 345 CG ASP A 24 -11.558 6.798 2.203 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.463 6.175 1.613 1.00 0.00 O ATOM 347 OD2 ASP A 24 -11.733 7.356 3.305 1.00 0.00 O ATOM 0 H ASP A 24 -10.529 5.734 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.759 8.408 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.863 5.748 1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.457 7.199 2.314 1.00 0.00 H new ATOM 352 N THR A 25 -8.078 8.835 0.994 1.00 0.00 N ATOM 353 CA THR A 25 -6.696 9.236 1.007 1.00 0.00 C ATOM 354 C THR A 25 -6.096 8.785 2.342 1.00 0.00 C ATOM 355 O THR A 25 -6.774 8.807 3.377 1.00 0.00 O ATOM 356 CB THR A 25 -6.607 10.760 0.862 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.758 11.451 1.312 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.276 11.221 -0.563 1.00 0.00 C ATOM 0 H THR A 25 -8.603 9.194 1.791 1.00 0.00 H new ATOM 0 HA THR A 25 -6.147 8.784 0.181 1.00 0.00 H new ATOM 0 HB THR A 25 -5.776 11.020 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.629 12.415 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.229 12.310 -0.592 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.313 10.808 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.050 10.873 -1.247 1.00 0.00 H new ATOM 366 N VAL A 26 -4.816 8.424 2.347 1.00 0.00 N ATOM 367 CA VAL A 26 -4.072 8.173 3.577 1.00 0.00 C ATOM 368 C VAL A 26 -3.650 9.515 4.200 1.00 0.00 C ATOM 369 O VAL A 26 -3.636 10.540 3.506 1.00 0.00 O ATOM 370 CB VAL A 26 -2.879 7.236 3.299 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.405 5.929 2.700 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.825 7.834 2.363 1.00 0.00 C ATOM 0 H VAL A 26 -4.265 8.297 1.498 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.703 7.660 4.303 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.381 7.068 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.569 5.259 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.089 5.455 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.931 6.141 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.019 7.115 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.283 8.067 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.422 8.746 2.804 1.00 0.00 H new ATOM 382 N PRO A 27 -3.284 9.546 5.488 1.00 0.00 N ATOM 383 CA PRO A 27 -2.527 10.648 6.067 1.00 0.00 C ATOM 384 C PRO A 27 -1.065 10.609 5.615 1.00 0.00 C ATOM 385 O PRO A 27 -0.547 9.552 5.244 1.00 0.00 O ATOM 386 CB PRO A 27 -2.620 10.442 7.575 1.00 0.00 C ATOM 387 CG PRO A 27 -2.794 8.939 7.723 1.00 0.00 C ATOM 388 CD PRO A 27 -3.589 8.538 6.490 1.00 0.00 C ATOM 0 HA PRO A 27 -2.922 11.615 5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.722 10.793 8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.462 10.987 8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.832 8.428 7.762 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.326 8.687 8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.305 7.544 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.657 8.508 6.704 1.00 0.00 H new ATOM 396 N ALA A 28 -0.365 11.740 5.768 1.00 0.00 N ATOM 397 CA ALA A 28 1.031 11.904 5.382 1.00 0.00 C ATOM 398 C ALA A 28 1.957 10.949 6.143 1.00 0.00 C ATOM 399 O ALA A 28 3.071 10.687 5.691 1.00 0.00 O ATOM 400 CB ALA A 28 1.452 13.366 5.559 1.00 0.00 C ATOM 0 H ALA A 28 -0.769 12.584 6.174 1.00 0.00 H new ATOM 0 HA ALA A 28 1.125 11.641 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.496 13.482 5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.828 14.003 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.331 13.656 6.603 1.00 0.00 H new ATOM 406 N MET A 29 1.481 10.361 7.245 1.00 0.00 N ATOM 407 CA MET A 29 2.198 9.367 8.036 1.00 0.00 C ATOM 408 C MET A 29 2.546 8.125 7.221 1.00 0.00 C ATOM 409 O MET A 29 3.425 7.367 7.628 1.00 0.00 O ATOM 410 CB MET A 29 1.389 8.943 9.276 1.00 0.00 C ATOM 411 CG MET A 29 0.670 10.099 9.975 1.00 0.00 C ATOM 412 SD MET A 29 0.668 10.019 11.784 1.00 0.00 S ATOM 413 CE MET A 29 -0.624 11.232 12.150 1.00 0.00 C ATOM 0 H MET A 29 0.556 10.573 7.619 1.00 0.00 H new ATOM 0 HA MET A 29 3.124 9.846 8.354 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.652 8.197 8.979 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.060 8.462 9.988 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.136 11.035 9.669 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.362 10.128 9.627 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.756 11.309 13.229 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.335 12.204 11.750 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.561 10.915 11.692 1.00 0.00 H new ATOM 423 N TYR A 30 1.892 7.926 6.076 1.00 0.00 N ATOM 424 CA TYR A 30 2.157 6.801 5.189 1.00 0.00 C ATOM 425 C TYR A 30 2.605 7.236 3.790 1.00 0.00 C ATOM 426 O TYR A 30 2.862 6.375 2.960 1.00 0.00 O ATOM 427 CB TYR A 30 0.913 5.911 5.167 1.00 0.00 C ATOM 428 CG TYR A 30 0.491 5.461 6.555 1.00 0.00 C ATOM 429 CD1 TYR A 30 1.259 4.515 7.259 1.00 0.00 C ATOM 430 CD2 TYR A 30 -0.633 6.044 7.169 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.882 4.131 8.557 1.00 0.00 C ATOM 432 CE2 TYR A 30 -0.972 5.721 8.497 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.203 4.763 9.201 1.00 0.00 C ATOM 434 OH TYR A 30 -0.457 4.452 10.500 1.00 0.00 O ATOM 0 H TYR A 30 1.158 8.548 5.738 1.00 0.00 H new ATOM 0 HA TYR A 30 3.003 6.230 5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.091 6.453 4.700 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.109 5.035 4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.138 4.084 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.241 6.745 6.617 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.426 3.348 9.065 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.813 6.201 8.975 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.548 5.276 11.022 1.00 0.00 H new ATOM 444 N LEU A 31 2.745 8.540 3.519 1.00 0.00 N ATOM 445 CA LEU A 31 3.417 9.011 2.303 1.00 0.00 C ATOM 446 C LEU A 31 4.933 8.853 2.440 1.00 0.00 C ATOM 447 O LEU A 31 5.635 8.783 1.429 1.00 0.00 O ATOM 448 CB LEU A 31 3.082 10.491 2.019 1.00 0.00 C ATOM 449 CG LEU A 31 1.758 10.767 1.279 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.819 10.363 -0.195 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.551 10.063 1.888 1.00 0.00 C ATOM 0 H LEU A 31 2.402 9.286 4.125 1.00 0.00 H new ATOM 0 HA LEU A 31 3.059 8.405 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.059 11.024 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.896 10.919 1.433 1.00 0.00 H new ATOM 0 HG LEU A 31 1.631 11.845 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.862 10.578 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.607 10.926 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.031 9.297 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.341 10.307 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.711 8.985 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.419 10.393 2.918 1.00 0.00 H new ATOM 463 N THR A 32 5.455 8.865 3.671 1.00 0.00 N ATOM 464 CA THR A 32 6.885 8.735 3.923 1.00 0.00 C ATOM 465 C THR A 32 7.394 7.407 3.315 1.00 0.00 C ATOM 466 O THR A 32 6.713 6.379 3.398 1.00 0.00 O ATOM 467 CB THR A 32 7.160 8.878 5.439 1.00 0.00 C ATOM 468 OG1 THR A 32 8.547 8.831 5.706 1.00 0.00 O ATOM 469 CG2 THR A 32 6.410 7.849 6.279 1.00 0.00 C ATOM 0 H THR A 32 4.894 8.965 4.517 1.00 0.00 H new ATOM 0 HA THR A 32 7.444 9.533 3.435 1.00 0.00 H new ATOM 0 HB THR A 32 6.779 9.856 5.732 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.694 8.494 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.643 8.000 7.333 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.337 7.965 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.713 6.845 5.981 1.00 0.00 H new ATOM 477 N PRO A 33 8.626 7.367 2.776 1.00 0.00 N ATOM 478 CA PRO A 33 9.174 6.181 2.127 1.00 0.00 C ATOM 479 C PRO A 33 9.498 5.055 3.123 1.00 0.00 C ATOM 480 O PRO A 33 9.891 3.961 2.721 1.00 0.00 O ATOM 481 CB PRO A 33 10.397 6.677 1.356 1.00 0.00 C ATOM 482 CG PRO A 33 10.885 7.861 2.185 1.00 0.00 C ATOM 483 CD PRO A 33 9.584 8.461 2.707 1.00 0.00 C ATOM 0 HA PRO A 33 8.450 5.719 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.160 5.903 1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.137 6.978 0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.540 7.545 2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.447 8.574 1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.730 8.912 3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.226 9.249 2.045 1.00 0.00 H new ATOM 491 N GLU A 34 9.337 5.300 4.421 1.00 0.00 N ATOM 492 CA GLU A 34 9.525 4.358 5.517 1.00 0.00 C ATOM 493 C GLU A 34 8.614 3.128 5.445 1.00 0.00 C ATOM 494 O GLU A 34 8.897 2.139 6.129 1.00 0.00 O ATOM 495 CB GLU A 34 9.286 5.125 6.823 1.00 0.00 C ATOM 496 CG GLU A 34 10.531 5.971 7.102 1.00 0.00 C ATOM 497 CD GLU A 34 10.318 7.031 8.173 1.00 0.00 C ATOM 498 OE1 GLU A 34 9.385 7.855 8.027 1.00 0.00 O ATOM 499 OE2 GLU A 34 11.108 7.060 9.148 1.00 0.00 O ATOM 0 H GLU A 34 9.054 6.221 4.755 1.00 0.00 H new ATOM 0 HA GLU A 34 10.539 3.962 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.404 5.760 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.102 4.433 7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.345 5.314 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.844 6.457 6.178 1.00 0.00 H new ATOM 506 N TYR A 35 7.565 3.163 4.618 1.00 0.00 N ATOM 507 CA TYR A 35 6.615 2.068 4.411 1.00 0.00 C ATOM 508 C TYR A 35 6.537 1.637 2.940 1.00 0.00 C ATOM 509 O TYR A 35 5.842 0.672 2.629 1.00 0.00 O ATOM 510 CB TYR A 35 5.228 2.506 4.899 1.00 0.00 C ATOM 511 CG TYR A 35 5.125 2.797 6.381 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.532 4.049 6.873 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.605 1.834 7.266 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.423 4.350 8.238 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.444 2.149 8.626 1.00 0.00 C ATOM 516 CZ TYR A 35 4.822 3.418 9.114 1.00 0.00 C ATOM 517 OH TYR A 35 4.587 3.746 10.416 1.00 0.00 O ATOM 0 H TYR A 35 7.347 3.985 4.054 1.00 0.00 H new ATOM 0 HA TYR A 35 6.965 1.208 4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.933 3.400 4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.510 1.726 4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.933 4.786 6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.330 0.855 6.901 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.796 5.289 8.618 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.029 1.416 9.302 1.00 0.00 H new ATOM 0 HH TYR A 35 4.167 2.988 10.874 1.00 0.00 H new ATOM 527 N ASN A 36 7.227 2.344 2.042 1.00 0.00 N ATOM 528 CA ASN A 36 7.252 2.140 0.602 1.00 0.00 C ATOM 529 C ASN A 36 7.955 0.826 0.269 1.00 0.00 C ATOM 530 O ASN A 36 9.184 0.708 0.365 1.00 0.00 O ATOM 531 CB ASN A 36 7.944 3.347 -0.041 1.00 0.00 C ATOM 532 CG ASN A 36 8.435 3.141 -1.463 1.00 0.00 C ATOM 533 OD1 ASN A 36 8.008 2.268 -2.213 1.00 0.00 O ATOM 534 ND2 ASN A 36 9.396 3.960 -1.845 1.00 0.00 N ATOM 0 H ASN A 36 7.820 3.124 2.326 1.00 0.00 H new ATOM 0 HA ASN A 36 6.240 2.064 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.250 4.188 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.794 3.630 0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.798 3.874 -2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.737 4.679 -1.207 1.00 0.00 H new ATOM 541 N ILE A 37 7.175 -0.168 -0.132 1.00 0.00 N ATOM 542 CA ILE A 37 7.639 -1.458 -0.606 1.00 0.00 C ATOM 543 C ILE A 37 7.805 -1.324 -2.117 1.00 0.00 C ATOM 544 O ILE A 37 6.934 -1.708 -2.896 1.00 0.00 O ATOM 545 CB ILE A 37 6.647 -2.555 -0.157 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.524 -2.568 1.384 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.038 -3.972 -0.588 1.00 0.00 C ATOM 548 CD1 ILE A 37 5.105 -2.245 1.818 1.00 0.00 C ATOM 0 H ILE A 37 6.158 -0.091 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 37 8.599 -1.759 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 37 5.707 -2.298 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.812 -3.547 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.214 -1.842 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.289 -4.680 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.095 -4.019 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.009 -4.227 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.045 -2.261 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.829 -1.255 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.421 -2.987 1.406 1.00 0.00 H new ATOM 560 N LYS A 38 8.952 -0.798 -2.562 1.00 0.00 N ATOM 561 CA LYS A 38 9.338 -0.871 -3.975 1.00 0.00 C ATOM 562 C LYS A 38 9.544 -2.322 -4.416 1.00 0.00 C ATOM 563 O LYS A 38 9.608 -2.607 -5.609 1.00 0.00 O ATOM 564 CB LYS A 38 10.621 -0.055 -4.239 1.00 0.00 C ATOM 565 CG LYS A 38 10.341 1.050 -5.261 1.00 0.00 C ATOM 566 CD LYS A 38 11.629 1.624 -5.864 1.00 0.00 C ATOM 567 CE LYS A 38 11.198 2.708 -6.854 1.00 0.00 C ATOM 568 NZ LYS A 38 12.284 3.185 -7.734 1.00 0.00 N ATOM 0 H LYS A 38 9.627 -0.319 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 38 8.524 -0.443 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.981 0.383 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.409 -0.711 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.714 0.653 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.778 1.851 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.269 2.041 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.203 0.845 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.388 2.320 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.797 3.555 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.915 3.916 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.049 3.586 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.653 2.389 -8.293 1.00 0.00 H new ATOM 582 N GLN A 39 9.697 -3.231 -3.459 1.00 0.00 N ATOM 583 CA GLN A 39 10.044 -4.625 -3.626 1.00 0.00 C ATOM 584 C GLN A 39 8.745 -5.422 -3.775 1.00 0.00 C ATOM 585 O GLN A 39 8.339 -6.130 -2.852 1.00 0.00 O ATOM 586 CB GLN A 39 10.872 -5.059 -2.400 1.00 0.00 C ATOM 587 CG GLN A 39 12.275 -4.433 -2.328 1.00 0.00 C ATOM 588 CD GLN A 39 12.315 -2.906 -2.215 1.00 0.00 C ATOM 589 OE1 GLN A 39 11.573 -2.281 -1.454 1.00 0.00 O ATOM 590 NE2 GLN A 39 13.169 -2.274 -3.001 1.00 0.00 N ATOM 0 H GLN A 39 9.571 -2.988 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 39 10.647 -4.802 -4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.324 -4.797 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.972 -6.144 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.798 -4.856 -1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.831 -4.728 -3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.776 -2.805 -3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.221 -1.255 -2.983 1.00 0.00 H new ATOM 599 N TRP A 40 8.068 -5.260 -4.913 1.00 0.00 N ATOM 600 CA TRP A 40 6.764 -5.850 -5.179 1.00 0.00 C ATOM 601 C TRP A 40 6.827 -6.930 -6.266 1.00 0.00 C ATOM 602 O TRP A 40 5.919 -7.754 -6.335 1.00 0.00 O ATOM 603 CB TRP A 40 5.774 -4.729 -5.538 1.00 0.00 C ATOM 604 CG TRP A 40 6.091 -3.976 -6.799 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.697 -2.769 -6.878 1.00 0.00 C ATOM 606 CD2 TRP A 40 5.854 -4.389 -8.178 1.00 0.00 C ATOM 607 NE1 TRP A 40 6.906 -2.437 -8.203 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.429 -3.416 -9.048 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.217 -5.494 -8.783 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.402 -3.553 -10.444 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.180 -5.641 -10.179 1.00 0.00 C ATOM 612 CH2 TRP A 40 5.779 -4.677 -11.006 1.00 0.00 C ATOM 0 H TRP A 40 8.423 -4.702 -5.690 1.00 0.00 H new ATOM 0 HA TRP A 40 6.417 -6.359 -4.280 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.778 -5.162 -5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.736 -4.021 -4.710 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.975 -2.157 -6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.356 -1.577 -8.516 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.749 -6.241 -8.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.854 -2.804 -11.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.690 -6.497 -10.618 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.760 -4.802 -12.079 1.00 0.00 H new ATOM 623 N GLN A 41 7.867 -6.965 -7.109 1.00 0.00 N ATOM 624 CA GLN A 41 7.949 -7.935 -8.202 1.00 0.00 C ATOM 625 C GLN A 41 8.231 -9.339 -7.682 1.00 0.00 C ATOM 626 O GLN A 41 7.681 -10.303 -8.212 1.00 0.00 O ATOM 627 CB GLN A 41 9.031 -7.535 -9.207 1.00 0.00 C ATOM 628 CG GLN A 41 8.602 -6.312 -10.016 1.00 0.00 C ATOM 629 CD GLN A 41 9.754 -5.782 -10.848 1.00 0.00 C ATOM 630 OE1 GLN A 41 10.659 -5.144 -10.311 1.00 0.00 O ATOM 631 NE2 GLN A 41 9.768 -6.006 -12.149 1.00 0.00 N ATOM 0 H GLN A 41 8.663 -6.330 -7.052 1.00 0.00 H new ATOM 0 HA GLN A 41 6.980 -7.938 -8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.960 -7.319 -8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.233 -8.368 -9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.769 -6.576 -10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.246 -5.532 -9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.013 -6.536 -12.583 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.534 -5.649 -12.720 1.00 0.00 H new ATOM 640 N GLN A 42 9.039 -9.479 -6.627 1.00 0.00 N ATOM 641 CA GLN A 42 9.249 -10.756 -5.949 1.00 0.00 C ATOM 642 C GLN A 42 8.054 -11.067 -5.027 1.00 0.00 C ATOM 643 O GLN A 42 8.245 -11.516 -3.891 1.00 0.00 O ATOM 644 CB GLN A 42 10.582 -10.745 -5.188 1.00 0.00 C ATOM 645 CG GLN A 42 11.802 -10.508 -6.085 1.00 0.00 C ATOM 646 CD GLN A 42 13.083 -10.914 -5.363 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.342 -10.521 -4.224 1.00 0.00 O ATOM 648 NE2 GLN A 42 13.901 -11.735 -5.990 1.00 0.00 N ATOM 0 H GLN A 42 9.566 -8.706 -6.220 1.00 0.00 H new ATOM 0 HA GLN A 42 9.309 -11.554 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.548 -9.968 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.702 -11.697 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.700 -11.081 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.854 -9.457 -6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.679 -12.055 -6.933 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.757 -12.050 -5.533 1.00 0.00 H new ATOM 657 N ARG A 43 6.829 -10.745 -5.452 1.00 0.00 N ATOM 658 CA ARG A 43 5.564 -10.993 -4.770 1.00 0.00 C ATOM 659 C ARG A 43 4.529 -11.257 -5.855 1.00 0.00 C ATOM 660 O ARG A 43 4.710 -10.871 -7.010 1.00 0.00 O ATOM 661 CB ARG A 43 5.074 -9.770 -3.965 1.00 0.00 C ATOM 662 CG ARG A 43 6.096 -9.048 -3.084 1.00 0.00 C ATOM 663 CD ARG A 43 6.330 -9.778 -1.757 1.00 0.00 C ATOM 664 NE ARG A 43 7.266 -9.051 -0.885 1.00 0.00 N ATOM 665 CZ ARG A 43 8.594 -8.958 -1.045 1.00 0.00 C ATOM 666 NH1 ARG A 43 9.208 -9.596 -2.032 1.00 0.00 N ATOM 667 NH2 ARG A 43 9.329 -8.237 -0.204 1.00 0.00 N ATOM 0 H ARG A 43 6.690 -10.271 -6.344 1.00 0.00 H new ATOM 0 HA ARG A 43 5.701 -11.823 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.666 -9.045 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.251 -10.094 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.040 -8.962 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.749 -8.034 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.378 -9.906 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.721 -10.776 -1.956 1.00 0.00 H new ATOM 0 HE ARG A 43 6.865 -8.570 -0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.669 -10.168 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.219 -9.515 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.883 -7.748 0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.339 -8.173 -0.335 1.00 0.00 H new ATOM 681 N ASN A 44 3.379 -11.784 -5.448 1.00 0.00 N ATOM 682 CA ASN A 44 2.234 -11.941 -6.337 1.00 0.00 C ATOM 683 C ASN A 44 1.578 -10.592 -6.683 1.00 0.00 C ATOM 684 O ASN A 44 0.791 -10.527 -7.621 1.00 0.00 O ATOM 685 CB ASN A 44 1.205 -12.880 -5.691 1.00 0.00 C ATOM 686 CG ASN A 44 1.736 -14.293 -5.514 1.00 0.00 C ATOM 687 OD1 ASN A 44 1.776 -15.055 -6.472 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.146 -14.676 -4.314 1.00 0.00 N ATOM 0 H ASN A 44 3.215 -12.113 -4.497 1.00 0.00 H new ATOM 0 HA ASN A 44 2.594 -12.373 -7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.913 -12.481 -4.720 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.306 -12.908 -6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.503 -15.621 -4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.104 -14.026 -3.529 1.00 0.00 H new ATOM 695 N LEU A 45 1.854 -9.516 -5.933 1.00 0.00 N ATOM 696 CA LEU A 45 1.151 -8.230 -6.044 1.00 0.00 C ATOM 697 C LEU A 45 1.281 -7.613 -7.450 1.00 0.00 C ATOM 698 O LEU A 45 2.327 -7.789 -8.086 1.00 0.00 O ATOM 699 CB LEU A 45 1.713 -7.245 -5.004 1.00 0.00 C ATOM 700 CG LEU A 45 1.141 -7.474 -3.592 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.163 -7.018 -2.553 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.173 -6.712 -3.376 1.00 0.00 C ATOM 0 H LEU A 45 2.584 -9.515 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 45 0.093 -8.419 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.798 -7.340 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.491 -6.225 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 45 0.933 -8.539 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.761 -7.179 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.083 -7.591 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.376 -5.958 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.542 -6.901 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.001 -5.644 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.913 -7.049 -4.102 1.00 0.00 H new ATOM 714 N PRO A 46 0.268 -6.858 -7.921 1.00 0.00 N ATOM 715 CA PRO A 46 0.310 -6.187 -9.216 1.00 0.00 C ATOM 716 C PRO A 46 1.225 -4.962 -9.218 1.00 0.00 C ATOM 717 O PRO A 46 1.439 -4.302 -8.192 1.00 0.00 O ATOM 718 CB PRO A 46 -1.124 -5.746 -9.517 1.00 0.00 C ATOM 719 CG PRO A 46 -1.764 -5.645 -8.151 1.00 0.00 C ATOM 720 CD PRO A 46 -1.043 -6.688 -7.307 1.00 0.00 C ATOM 0 HA PRO A 46 0.709 -6.871 -9.965 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.147 -4.791 -10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.641 -6.469 -10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.646 -4.646 -7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.834 -5.846 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.950 -6.358 -6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.593 -7.629 -7.293 1.00 0.00 H new ATOM 728 N ALA A 47 1.670 -4.587 -10.418 1.00 0.00 N ATOM 729 CA ALA A 47 2.589 -3.464 -10.597 1.00 0.00 C ATOM 730 C ALA A 47 1.875 -2.153 -10.243 1.00 0.00 C ATOM 731 O ALA A 47 0.708 -2.014 -10.623 1.00 0.00 O ATOM 732 CB ALA A 47 3.026 -3.425 -12.066 1.00 0.00 C ATOM 0 H ALA A 47 1.405 -5.050 -11.287 1.00 0.00 H new ATOM 0 HA ALA A 47 3.457 -3.584 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.713 -2.593 -12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.525 -4.359 -12.322 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.151 -3.295 -12.703 1.00 0.00 H new ATOM 738 N PRO A 48 2.543 -1.171 -9.612 1.00 0.00 N ATOM 739 CA PRO A 48 1.891 0.026 -9.086 1.00 0.00 C ATOM 740 C PRO A 48 1.471 0.993 -10.199 1.00 0.00 C ATOM 741 O PRO A 48 1.955 0.927 -11.333 1.00 0.00 O ATOM 742 CB PRO A 48 2.901 0.653 -8.117 1.00 0.00 C ATOM 743 CG PRO A 48 4.249 0.149 -8.614 1.00 0.00 C ATOM 744 CD PRO A 48 3.925 -1.233 -9.168 1.00 0.00 C ATOM 0 HA PRO A 48 0.959 -0.221 -8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.850 1.742 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.713 0.343 -7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.665 0.802 -9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.981 0.098 -7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.589 -1.488 -9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.056 -2.000 -8.405 1.00 0.00 H new ATOM 752 N ASP A 49 0.574 1.922 -9.867 1.00 0.00 N ATOM 753 CA ASP A 49 0.145 2.987 -10.773 1.00 0.00 C ATOM 754 C ASP A 49 1.326 3.937 -10.979 1.00 0.00 C ATOM 755 O ASP A 49 2.277 3.949 -10.192 1.00 0.00 O ATOM 756 CB ASP A 49 -1.089 3.750 -10.252 1.00 0.00 C ATOM 757 CG ASP A 49 -2.380 2.925 -10.150 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.363 1.686 -10.342 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.454 3.517 -9.903 1.00 0.00 O ATOM 0 H ASP A 49 0.121 1.956 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.160 2.541 -11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.856 4.152 -9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.273 4.601 -10.908 1.00 0.00 H new ATOM 764 N ALA A 50 1.277 4.724 -12.051 1.00 0.00 N ATOM 765 CA ALA A 50 2.417 5.405 -12.653 1.00 0.00 C ATOM 766 C ALA A 50 2.800 6.708 -11.927 1.00 0.00 C ATOM 767 O ALA A 50 2.921 7.765 -12.550 1.00 0.00 O ATOM 768 CB ALA A 50 2.065 5.620 -14.125 1.00 0.00 C ATOM 0 H ALA A 50 0.404 4.912 -12.544 1.00 0.00 H new ATOM 0 HA ALA A 50 3.315 4.794 -12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.889 6.129 -14.626 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.891 4.656 -14.602 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.164 6.229 -14.198 1.00 0.00 H new ATOM 774 N GLY A 51 2.956 6.621 -10.611 1.00 0.00 N ATOM 775 CA GLY A 51 3.139 7.715 -9.669 1.00 0.00 C ATOM 776 C GLY A 51 2.636 7.299 -8.287 1.00 0.00 C ATOM 777 O GLY A 51 1.948 8.079 -7.624 1.00 0.00 O ATOM 0 H GLY A 51 2.958 5.716 -10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.193 7.988 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.598 8.597 -10.012 1.00 0.00 H new ATOM 781 N SER A 52 2.865 6.049 -7.871 1.00 0.00 N ATOM 782 CA SER A 52 2.393 5.511 -6.599 1.00 0.00 C ATOM 783 C SER A 52 3.371 4.469 -6.061 1.00 0.00 C ATOM 784 O SER A 52 4.283 4.060 -6.784 1.00 0.00 O ATOM 785 CB SER A 52 0.999 4.906 -6.810 1.00 0.00 C ATOM 786 OG SER A 52 1.033 3.838 -7.728 1.00 0.00 O ATOM 0 H SER A 52 3.394 5.373 -8.422 1.00 0.00 H new ATOM 0 HA SER A 52 2.331 6.309 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.606 4.555 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.318 5.676 -7.172 1.00 0.00 H new ATOM 0 HG SER A 52 1.581 4.088 -8.501 1.00 0.00 H new ATOM 792 N HIS A 53 3.159 4.003 -4.829 1.00 0.00 N ATOM 793 CA HIS A 53 3.866 2.857 -4.289 1.00 0.00 C ATOM 794 C HIS A 53 2.984 2.030 -3.354 1.00 0.00 C ATOM 795 O HIS A 53 2.011 2.531 -2.785 1.00 0.00 O ATOM 796 CB HIS A 53 5.122 3.321 -3.556 1.00 0.00 C ATOM 797 CG HIS A 53 4.894 4.254 -2.385 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.101 5.621 -2.346 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.530 3.865 -1.124 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.906 6.023 -1.078 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.575 4.984 -0.301 1.00 0.00 N ATOM 0 H HIS A 53 2.488 4.416 -4.181 1.00 0.00 H new ATOM 0 HA HIS A 53 4.146 2.215 -5.124 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.656 2.441 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.775 3.820 -4.272 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.355 6.215 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.256 2.865 -0.822 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.003 7.042 -0.734 1.00 0.00 H new ATOM 809 N TRP A 54 3.335 0.754 -3.200 1.00 0.00 N ATOM 810 CA TRP A 54 2.757 -0.121 -2.196 1.00 0.00 C ATOM 811 C TRP A 54 3.286 0.248 -0.818 1.00 0.00 C ATOM 812 O TRP A 54 4.477 0.513 -0.653 1.00 0.00 O ATOM 813 CB TRP A 54 3.082 -1.582 -2.515 1.00 0.00 C ATOM 814 CG TRP A 54 2.281 -2.122 -3.655 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.729 -2.419 -4.897 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.846 -2.356 -3.678 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.667 -2.830 -5.683 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.475 -2.762 -4.989 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.183 -2.225 -2.723 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.863 -2.982 -5.336 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.530 -2.456 -3.062 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.871 -2.804 -4.380 1.00 0.00 C ATOM 0 H TRP A 54 4.039 0.298 -3.780 1.00 0.00 H new ATOM 0 HA TRP A 54 1.674 0.003 -2.202 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.143 -1.670 -2.750 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.900 -2.191 -1.629 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.756 -2.346 -5.224 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.753 -3.143 -6.650 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.067 -1.942 -1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.118 -3.289 -6.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.300 -2.366 -2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.907 -2.934 -4.655 1.00 0.00 H new ATOM 833 N THR A 55 2.403 0.181 0.167 1.00 0.00 N ATOM 834 CA THR A 55 2.567 0.665 1.525 1.00 0.00 C ATOM 835 C THR A 55 2.016 -0.424 2.435 1.00 0.00 C ATOM 836 O THR A 55 0.924 -0.933 2.171 1.00 0.00 O ATOM 837 CB THR A 55 1.749 1.957 1.726 1.00 0.00 C ATOM 838 OG1 THR A 55 1.080 2.394 0.554 1.00 0.00 O ATOM 839 CG2 THR A 55 2.614 3.109 2.204 1.00 0.00 C ATOM 0 H THR A 55 1.487 -0.245 0.025 1.00 0.00 H new ATOM 0 HA THR A 55 3.613 0.885 1.741 1.00 0.00 H new ATOM 0 HB THR A 55 1.010 1.687 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.480 1.687 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.997 3.998 2.332 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.075 2.847 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.392 3.310 1.467 1.00 0.00 H new ATOM 847 N TYR A 56 2.744 -0.817 3.480 1.00 0.00 N ATOM 848 CA TYR A 56 2.225 -1.756 4.466 1.00 0.00 C ATOM 849 C TYR A 56 1.443 -0.928 5.476 1.00 0.00 C ATOM 850 O TYR A 56 2.047 -0.240 6.304 1.00 0.00 O ATOM 851 CB TYR A 56 3.355 -2.569 5.120 1.00 0.00 C ATOM 852 CG TYR A 56 3.004 -3.946 5.652 1.00 0.00 C ATOM 853 CD1 TYR A 56 1.675 -4.365 5.866 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.059 -4.853 5.851 1.00 0.00 C ATOM 855 CE1 TYR A 56 1.404 -5.682 6.286 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.801 -6.171 6.268 1.00 0.00 C ATOM 857 CZ TYR A 56 2.467 -6.590 6.492 1.00 0.00 C ATOM 858 OH TYR A 56 2.190 -7.867 6.869 1.00 0.00 O ATOM 0 H TYR A 56 3.695 -0.498 3.663 1.00 0.00 H new ATOM 0 HA TYR A 56 1.575 -2.498 4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.155 -2.684 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.759 -1.982 5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.861 -3.673 5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.077 -4.535 5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.384 -5.998 6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.618 -6.862 6.417 1.00 0.00 H new ATOM 0 HH TYR A 56 3.027 -8.367 6.969 1.00 0.00 H new ATOM 868 N MET A 57 0.119 -0.906 5.355 1.00 0.00 N ATOM 869 CA MET A 57 -0.789 -0.356 6.346 1.00 0.00 C ATOM 870 C MET A 57 -0.924 -1.372 7.495 1.00 0.00 C ATOM 871 O MET A 57 -0.025 -2.192 7.708 1.00 0.00 O ATOM 872 CB MET A 57 -2.119 0.005 5.655 1.00 0.00 C ATOM 873 CG MET A 57 -2.801 1.189 6.347 1.00 0.00 C ATOM 874 SD MET A 57 -3.288 2.557 5.263 1.00 0.00 S ATOM 875 CE MET A 57 -1.666 3.313 4.986 1.00 0.00 C ATOM 0 H MET A 57 -0.362 -1.283 4.538 1.00 0.00 H new ATOM 0 HA MET A 57 -0.416 0.568 6.787 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.933 0.250 4.609 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.784 -0.859 5.667 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.690 0.823 6.861 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.127 1.577 7.111 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.797 4.324 4.600 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.117 3.352 5.927 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.106 2.719 4.264 1.00 0.00 H new ATOM 885 N GLY A 58 -2.031 -1.330 8.241 1.00 0.00 N ATOM 886 CA GLY A 58 -2.350 -2.157 9.394 1.00 0.00 C ATOM 887 C GLY A 58 -2.607 -3.611 9.054 1.00 0.00 C ATOM 888 O GLY A 58 -3.687 -4.113 9.344 1.00 0.00 O ATOM 0 H GLY A 58 -2.778 -0.667 8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.528 -2.101 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.231 -1.749 9.889 1.00 0.00 H new ATOM 892 N GLY A 59 -1.611 -4.294 8.491 1.00 0.00 N ATOM 893 CA GLY A 59 -1.705 -5.698 8.143 1.00 0.00 C ATOM 894 C GLY A 59 -2.287 -5.938 6.756 1.00 0.00 C ATOM 895 O GLY A 59 -2.637 -7.070 6.430 1.00 0.00 O ATOM 0 H GLY A 59 -0.708 -3.877 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.712 -6.145 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.323 -6.208 8.882 1.00 0.00 H new ATOM 899 N ASN A 60 -2.374 -4.884 5.946 1.00 0.00 N ATOM 900 CA ASN A 60 -2.872 -4.875 4.592 1.00 0.00 C ATOM 901 C ASN A 60 -1.872 -4.049 3.798 1.00 0.00 C ATOM 902 O ASN A 60 -1.218 -3.161 4.358 1.00 0.00 O ATOM 903 CB ASN A 60 -4.230 -4.177 4.571 1.00 0.00 C ATOM 904 CG ASN A 60 -5.197 -4.728 5.612 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.648 -5.858 5.497 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.458 -3.964 6.669 1.00 0.00 N ATOM 0 H ASN A 60 -2.076 -3.957 6.249 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.987 -5.880 4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.087 -3.110 4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.672 -4.283 3.580 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.053 -4.317 7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.063 -3.025 6.730 1.00 0.00 H new ATOM 913 N TYR A 61 -1.781 -4.285 2.499 1.00 0.00 N ATOM 914 CA TYR A 61 -0.962 -3.509 1.595 1.00 0.00 C ATOM 915 C TYR A 61 -1.877 -2.566 0.826 1.00 0.00 C ATOM 916 O TYR A 61 -2.720 -3.021 0.053 1.00 0.00 O ATOM 917 CB TYR A 61 -0.177 -4.443 0.673 1.00 0.00 C ATOM 918 CG TYR A 61 0.828 -5.304 1.416 1.00 0.00 C ATOM 919 CD1 TYR A 61 1.972 -4.714 1.991 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.624 -6.692 1.536 1.00 0.00 C ATOM 921 CE1 TYR A 61 2.926 -5.508 2.649 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.583 -7.490 2.183 1.00 0.00 C ATOM 923 CZ TYR A 61 2.733 -6.903 2.751 1.00 0.00 C ATOM 924 OH TYR A 61 3.665 -7.675 3.375 1.00 0.00 O ATOM 0 H TYR A 61 -2.288 -5.040 2.038 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.226 -2.915 2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.875 -5.088 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.346 -3.849 -0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.116 -3.646 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.270 -7.143 1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.807 -5.052 3.077 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.439 -8.558 2.246 1.00 0.00 H new ATOM 0 HH TYR A 61 3.817 -7.335 4.282 1.00 0.00 H new ATOM 934 N VAL A 62 -1.719 -1.258 1.014 1.00 0.00 N ATOM 935 CA VAL A 62 -2.448 -0.266 0.232 1.00 0.00 C ATOM 936 C VAL A 62 -1.494 0.299 -0.815 1.00 0.00 C ATOM 937 O VAL A 62 -0.286 0.361 -0.583 1.00 0.00 O ATOM 938 CB VAL A 62 -3.073 0.805 1.144 1.00 0.00 C ATOM 939 CG1 VAL A 62 -4.052 0.187 2.152 1.00 0.00 C ATOM 940 CG2 VAL A 62 -2.050 1.624 1.932 1.00 0.00 C ATOM 0 H VAL A 62 -1.087 -0.859 1.708 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.293 -0.719 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.592 1.473 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.473 0.973 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.855 -0.319 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.524 -0.532 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.569 2.357 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.466 0.960 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.385 2.140 1.239 1.00 0.00 H new ATOM 950 N LEU A 63 -2.019 0.700 -1.967 1.00 0.00 N ATOM 951 CA LEU A 63 -1.289 1.415 -3.004 1.00 0.00 C ATOM 952 C LEU A 63 -1.676 2.874 -2.854 1.00 0.00 C ATOM 953 O LEU A 63 -2.876 3.161 -2.872 1.00 0.00 O ATOM 954 CB LEU A 63 -1.695 0.888 -4.389 1.00 0.00 C ATOM 955 CG LEU A 63 -1.027 1.630 -5.559 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.497 1.484 -5.522 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.570 1.108 -6.890 1.00 0.00 C ATOM 0 H LEU A 63 -2.995 0.531 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.212 1.280 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.443 -0.171 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.777 0.965 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.264 2.689 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.935 2.021 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.880 1.898 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.763 0.429 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.091 1.640 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.360 0.042 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.647 1.270 -6.932 1.00 0.00 H new ATOM 969 N ILE A 64 -0.697 3.770 -2.724 1.00 0.00 N ATOM 970 CA ILE A 64 -0.924 5.197 -2.524 1.00 0.00 C ATOM 971 C ILE A 64 -0.091 6.003 -3.515 1.00 0.00 C ATOM 972 O ILE A 64 1.067 5.688 -3.786 1.00 0.00 O ATOM 973 CB ILE A 64 -0.674 5.611 -1.062 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.787 5.431 -0.607 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.632 4.863 -0.131 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.485 6.780 -0.470 1.00 0.00 C ATOM 0 H ILE A 64 0.291 3.518 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.973 5.417 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.870 6.682 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.813 4.905 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.322 4.812 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.446 5.164 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.661 5.103 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.472 3.789 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.515 6.626 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.479 7.292 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.961 7.387 0.268 1.00 0.00 H new ATOM 988 N THR A 65 -0.709 7.013 -4.113 1.00 0.00 N ATOM 989 CA THR A 65 -0.077 7.957 -5.024 1.00 0.00 C ATOM 990 C THR A 65 0.967 8.758 -4.249 1.00 0.00 C ATOM 991 O THR A 65 0.666 9.291 -3.190 1.00 0.00 O ATOM 992 CB THR A 65 -1.142 8.871 -5.677 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.389 8.811 -5.010 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.414 8.497 -7.133 1.00 0.00 C ATOM 0 H THR A 65 -1.701 7.204 -3.971 1.00 0.00 H new ATOM 0 HA THR A 65 0.422 7.425 -5.834 1.00 0.00 H new ATOM 0 HB THR A 65 -0.718 9.873 -5.609 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.042 8.352 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.168 9.167 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.493 8.587 -7.710 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.775 7.470 -7.183 1.00 0.00 H new ATOM 1002 N ASP A 66 2.172 8.931 -4.779 1.00 0.00 N ATOM 1003 CA ASP A 66 3.212 9.729 -4.108 1.00 0.00 C ATOM 1004 C ASP A 66 2.930 11.233 -4.197 1.00 0.00 C ATOM 1005 O ASP A 66 3.685 12.065 -3.707 1.00 0.00 O ATOM 1006 CB ASP A 66 4.559 9.432 -4.760 1.00 0.00 C ATOM 1007 CG ASP A 66 5.663 9.234 -3.725 1.00 0.00 C ATOM 1008 OD1 ASP A 66 6.249 10.221 -3.220 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.054 8.061 -3.523 1.00 0.00 O ATOM 0 H ASP A 66 2.461 8.532 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 66 3.220 9.455 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.474 8.537 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.829 10.252 -5.425 1.00 0.00 H new ATOM 1014 N THR A 67 1.850 11.590 -4.885 1.00 0.00 N ATOM 1015 CA THR A 67 1.497 12.945 -5.262 1.00 0.00 C ATOM 1016 C THR A 67 0.060 13.249 -4.803 1.00 0.00 C ATOM 1017 O THR A 67 -0.551 14.215 -5.249 1.00 0.00 O ATOM 1018 CB THR A 67 1.821 13.106 -6.762 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.948 14.472 -7.107 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.864 12.356 -7.698 1.00 0.00 C ATOM 0 H THR A 67 1.167 10.905 -5.208 1.00 0.00 H new ATOM 0 HA THR A 67 2.082 13.715 -4.758 1.00 0.00 H new ATOM 0 HB THR A 67 2.786 12.623 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.155 14.550 -8.062 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.163 12.522 -8.733 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.900 11.289 -7.477 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.152 12.723 -7.550 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.516 12.400 -3.938 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.834 12.593 -3.350 1.00 0.00 C ATOM 1030 C GLU A 68 -2.005 11.667 -2.147 1.00 0.00 C ATOM 1031 O GLU A 68 -2.471 12.066 -1.084 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.886 12.222 -4.404 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.312 12.409 -3.928 1.00 0.00 C ATOM 1034 CD GLU A 68 -4.643 13.884 -3.712 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.271 14.731 -4.562 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.343 14.214 -2.728 1.00 0.00 O ATOM 0 H GLU A 68 -0.061 11.542 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.948 13.629 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.726 12.830 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.743 11.182 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.999 11.985 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.460 11.862 -2.997 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.664 10.399 -2.351 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.930 9.282 -1.477 1.00 0.00 C ATOM 1045 C GLY A 69 -3.401 8.912 -1.452 1.00 0.00 C ATOM 1046 O GLY A 69 -3.901 8.455 -0.424 1.00 0.00 O ATOM 0 H GLY A 69 -1.160 10.114 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.346 8.421 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.601 9.527 -0.467 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.093 9.070 -2.587 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.357 8.387 -2.821 1.00 0.00 C ATOM 1052 C LYS A 70 -5.094 6.898 -2.646 1.00 0.00 C ATOM 1053 O LYS A 70 -4.046 6.418 -3.061 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.868 8.661 -4.244 1.00 0.00 C ATOM 1055 CG LYS A 70 -6.946 9.756 -4.328 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.293 9.200 -4.809 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.233 8.648 -6.241 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.917 9.690 -7.237 1.00 0.00 N ATOM 0 H LYS A 70 -3.792 9.669 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.116 8.741 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.025 8.949 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.272 7.737 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.073 10.216 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.614 10.541 -5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.616 8.409 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.044 9.988 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.480 7.861 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.190 8.190 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.005 9.293 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.579 10.485 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.944 10.027 -7.090 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.040 6.167 -2.080 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.004 4.728 -1.903 1.00 0.00 C ATOM 1074 C ILE A 71 -6.449 4.133 -3.236 1.00 0.00 C ATOM 1075 O ILE A 71 -7.638 3.905 -3.469 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.871 4.366 -0.673 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.180 5.006 0.562 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.027 2.850 -0.467 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -6.840 4.730 1.903 1.00 0.00 C ATOM 0 H ILE A 71 -6.896 6.584 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.021 4.315 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.881 4.746 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.151 4.650 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.138 6.085 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.645 2.664 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.501 2.410 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.045 2.400 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.276 5.224 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.861 5.113 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.857 3.656 2.086 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.490 3.944 -4.149 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.725 3.423 -5.484 1.00 0.00 C ATOM 1093 C LEU A 72 -6.254 1.992 -5.404 1.00 0.00 C ATOM 1094 O LEU A 72 -7.224 1.639 -6.079 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.420 3.427 -6.305 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.738 4.776 -6.594 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -4.714 5.889 -6.985 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -2.765 5.209 -5.526 1.00 0.00 C ATOM 0 H LEU A 72 -4.509 4.157 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.461 4.062 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.699 2.796 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.629 2.950 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.135 4.586 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.160 6.809 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.254 5.599 -7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.424 6.052 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.326 6.168 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.289 5.309 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.976 4.463 -5.428 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.577 1.143 -4.630 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.865 -0.280 -4.471 1.00 0.00 C ATOM 1112 C LYS A 73 -5.533 -0.690 -3.044 1.00 0.00 C ATOM 1113 O LYS A 73 -4.753 -0.008 -2.374 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.038 -1.112 -5.468 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.677 -1.136 -6.860 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.959 -2.082 -7.824 1.00 0.00 C ATOM 1117 CE LYS A 73 -3.636 -1.527 -8.356 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.839 -0.390 -9.282 1.00 0.00 N ATOM 0 H LYS A 73 -4.777 1.444 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.921 -0.462 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.031 -0.700 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.940 -2.132 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.720 -1.438 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.671 -0.128 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.769 -3.028 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.617 -2.298 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.016 -1.206 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.092 -2.319 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.916 0.008 -9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.335 -0.721 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.408 0.343 -8.812 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.083 -1.819 -2.611 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.882 -2.428 -1.307 1.00 0.00 C ATOM 1134 C VAL A 74 -5.883 -3.943 -1.500 1.00 0.00 C ATOM 1135 O VAL A 74 -6.792 -4.483 -2.143 1.00 0.00 O ATOM 1136 CB VAL A 74 -7.003 -2.004 -0.335 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.737 -2.560 1.072 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -7.157 -0.476 -0.235 1.00 0.00 C ATOM 0 H VAL A 74 -6.717 -2.363 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.935 -2.102 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.927 -2.416 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.538 -2.250 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.698 -3.649 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.786 -2.176 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.960 -0.236 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.224 -0.039 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.396 -0.069 -1.218 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.886 -4.615 -0.927 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.823 -6.059 -0.793 1.00 0.00 C ATOM 1150 C TYR A 75 -4.564 -6.401 0.668 1.00 0.00 C ATOM 1151 O TYR A 75 -3.956 -5.612 1.394 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.716 -6.647 -1.672 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.063 -6.622 -3.141 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -3.913 -5.433 -3.868 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -4.599 -7.761 -3.762 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -4.293 -5.376 -5.218 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.982 -7.714 -5.110 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.842 -6.514 -5.842 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.243 -6.435 -7.138 1.00 0.00 O ATOM 0 H TYR A 75 -4.072 -4.146 -0.530 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.770 -6.489 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.794 -6.088 -1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.522 -7.675 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.503 -4.557 -3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.717 -8.676 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.165 -4.461 -5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.384 -8.595 -5.588 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.081 -5.530 -7.476 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.986 -7.582 1.101 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.684 -8.092 2.429 1.00 0.00 C ATOM 1171 C ASP A 76 -3.208 -8.501 2.506 1.00 0.00 C ATOM 1172 O ASP A 76 -2.565 -8.722 1.478 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.607 -9.276 2.703 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.344 -9.847 4.084 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -5.726 -9.218 5.093 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -4.742 -10.934 4.136 1.00 0.00 O ATOM 0 H ASP A 76 -5.551 -8.216 0.536 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.850 -7.326 3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.647 -8.959 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.452 -10.047 1.949 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.645 -8.610 3.711 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.269 -9.037 3.917 1.00 0.00 C ATOM 1183 C GLY A 77 -1.007 -10.486 3.513 1.00 0.00 C ATOM 1184 O GLY A 77 0.143 -10.816 3.224 1.00 0.00 O ATOM 0 H GLY A 77 -3.141 -8.401 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.607 -8.385 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.013 -8.911 4.969 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.019 -11.358 3.473 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.824 -12.792 3.254 1.00 0.00 C ATOM 1190 C GLU A 78 -1.221 -13.108 1.881 1.00 0.00 C ATOM 1191 O GLU A 78 -0.542 -14.123 1.715 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.123 -13.567 3.519 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.395 -13.598 5.035 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.769 -14.155 5.437 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -5.594 -14.503 4.560 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -5.035 -14.250 6.659 1.00 0.00 O ATOM 0 H GLU A 78 -2.996 -11.088 3.592 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.084 -13.132 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.955 -13.094 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.040 -14.582 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.622 -14.198 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.302 -12.585 5.426 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.340 -12.182 0.929 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.717 -12.274 -0.387 1.00 0.00 C ATOM 1205 C ILE A 79 0.821 -12.387 -0.298 1.00 0.00 C ATOM 1206 O ILE A 79 1.467 -12.834 -1.250 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.194 -11.069 -1.227 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -0.901 -11.301 -2.719 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.567 -9.744 -0.745 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.652 -10.339 -3.644 1.00 0.00 C ATOM 0 H ILE A 79 -1.885 -11.329 1.057 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.027 -13.194 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.272 -10.983 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.170 -11.197 -2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.168 -12.325 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.930 -8.923 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.846 -9.566 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.518 -9.805 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.399 -10.559 -4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.726 -10.459 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.367 -9.313 -3.411 1.00 0.00 H new ATOM 1222 N PHE A 80 1.417 -11.984 0.832 1.00 0.00 N ATOM 1223 CA PHE A 80 2.849 -12.052 1.088 1.00 0.00 C ATOM 1224 C PHE A 80 3.329 -13.494 1.278 1.00 0.00 C ATOM 1225 O PHE A 80 4.455 -13.806 0.887 1.00 0.00 O ATOM 1226 CB PHE A 80 3.172 -11.216 2.340 1.00 0.00 C ATOM 1227 CG PHE A 80 4.641 -11.109 2.737 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.658 -11.031 1.763 1.00 0.00 C ATOM 1229 CD2 PHE A 80 4.997 -11.094 4.100 1.00 0.00 C ATOM 1230 CE1 PHE A 80 7.009 -10.974 2.144 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.350 -11.021 4.482 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.357 -10.976 3.503 1.00 0.00 C ATOM 0 H PHE A 80 0.893 -11.590 1.614 1.00 0.00 H new ATOM 0 HA PHE A 80 3.373 -11.651 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.788 -10.208 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.623 -11.639 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.396 -11.015 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.227 -11.139 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.781 -10.929 1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.614 -11.000 5.529 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.396 -10.943 3.796 1.00 0.00 H new ATOM 1242 N TYR A 81 2.523 -14.367 1.890 1.00 0.00 N ATOM 1243 CA TYR A 81 2.921 -15.752 2.145 1.00 0.00 C ATOM 1244 C TYR A 81 2.566 -16.653 0.961 1.00 0.00 C ATOM 1245 O TYR A 81 3.142 -17.737 0.844 1.00 0.00 O ATOM 1246 CB TYR A 81 2.282 -16.303 3.431 1.00 0.00 C ATOM 1247 CG TYR A 81 2.229 -15.337 4.602 1.00 0.00 C ATOM 1248 CD1 TYR A 81 1.118 -14.488 4.720 1.00 0.00 C ATOM 1249 CD2 TYR A 81 3.244 -15.297 5.576 1.00 0.00 C ATOM 1250 CE1 TYR A 81 1.018 -13.572 5.779 1.00 0.00 C ATOM 1251 CE2 TYR A 81 3.127 -14.419 6.671 1.00 0.00 C ATOM 1252 CZ TYR A 81 2.010 -13.561 6.780 1.00 0.00 C ATOM 1253 OH TYR A 81 1.846 -12.786 7.886 1.00 0.00 O ATOM 0 H TYR A 81 1.586 -14.136 2.219 1.00 0.00 H new ATOM 0 HA TYR A 81 4.003 -15.751 2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.266 -16.625 3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.835 -17.190 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.328 -14.540 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.109 -15.937 5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.188 -12.882 5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.895 -14.402 7.431 1.00 0.00 H new ATOM 0 HH TYR A 81 2.619 -12.894 8.478 1.00 0.00 H new ATOM 1263 N HIS A 82 1.667 -16.200 0.080 1.00 0.00 N ATOM 1264 CA HIS A 82 1.207 -16.936 -1.080 1.00 0.00 C ATOM 1265 C HIS A 82 2.403 -17.191 -2.001 1.00 0.00 C ATOM 1266 O HIS A 82 3.390 -16.443 -2.027 1.00 0.00 O ATOM 1267 CB HIS A 82 0.055 -16.170 -1.761 1.00 0.00 C ATOM 1268 CG HIS A 82 -0.540 -16.854 -2.972 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -0.758 -18.207 -3.143 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -0.893 -16.233 -4.140 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -1.152 -18.394 -4.416 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -1.262 -17.221 -5.058 1.00 0.00 N ATOM 0 H HIS A 82 1.232 -15.281 0.167 1.00 0.00 H new ATOM 0 HA HIS A 82 0.800 -17.907 -0.799 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.736 -16.008 -1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.419 -15.187 -2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.887 -15.168 -4.320 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.352 -19.358 -4.861 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.556 -17.078 -6.024 1.00 0.00 H new ATOM 1280 N ARG A 83 2.321 -18.274 -2.757 1.00 0.00 N ATOM 1281 CA ARG A 83 3.350 -18.863 -3.568 1.00 0.00 C ATOM 1282 C ARG A 83 2.680 -19.227 -4.874 1.00 0.00 C ATOM 1283 O ARG A 83 3.332 -19.095 -5.928 1.00 0.00 O ATOM 1284 CB ARG A 83 3.880 -20.123 -2.852 1.00 0.00 C ATOM 1285 CG ARG A 83 5.371 -19.981 -2.575 1.00 0.00 C ATOM 1286 CD ARG A 83 5.929 -21.111 -1.698 1.00 0.00 C ATOM 1287 NE ARG A 83 5.838 -20.774 -0.270 1.00 0.00 N ATOM 1288 CZ ARG A 83 5.794 -21.634 0.757 1.00 0.00 C ATOM 1289 NH1 ARG A 83 5.714 -22.948 0.582 1.00 0.00 N ATOM 1290 NH2 ARG A 83 5.820 -21.186 2.005 1.00 0.00 N ATOM 0 H ARG A 83 1.451 -18.803 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 83 4.193 -18.194 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.341 -20.272 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.699 -21.004 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.911 -19.963 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.554 -19.024 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.378 -22.031 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.969 -21.300 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 83 5.805 -19.782 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.684 -23.336 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.683 -23.569 1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.874 -20.184 2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.786 -21.844 2.784 1.00 0.00 H new