USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 401 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 GLN : amide:sc= -0.716 K(o=-0.72,f=-4.7!) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.742 F(o=-2.4!,f=-0.74) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0503 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.535 X(o=-0.53,f=-0.89) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 65:sc= 1.28 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.178 F(o=-0.81,f=-0.18) USER MOD Single : A 44 SER OG : rot 180:sc= -0.141 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.71 K(o=-0.71,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 8.679 -0.794 -11.650 1.00 0.00 N ATOM 81 CA ALA A 9 8.247 -1.885 -10.785 1.00 0.00 C ATOM 82 C ALA A 9 8.384 -1.507 -9.314 1.00 0.00 C ATOM 83 O ALA A 9 8.298 -2.363 -8.434 1.00 0.00 O ATOM 84 CB ALA A 9 9.045 -3.145 -11.085 1.00 0.00 C ATOM 0 HA ALA A 9 7.194 -2.079 -10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.711 -3.951 -10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.892 -3.434 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.104 -2.954 -10.914 1.00 0.00 H new ATOM 90 N GLN A 10 8.599 -0.221 -9.056 1.00 0.00 N ATOM 91 CA GLN A 10 8.750 0.269 -7.691 1.00 0.00 C ATOM 92 C GLN A 10 7.522 -0.070 -6.852 1.00 0.00 C ATOM 93 O GLN A 10 6.384 0.004 -7.315 1.00 0.00 O ATOM 94 CB GLN A 10 8.980 1.781 -7.691 1.00 0.00 C ATOM 95 CG GLN A 10 9.830 2.268 -6.529 1.00 0.00 C ATOM 96 CD GLN A 10 10.324 3.688 -6.722 1.00 0.00 C ATOM 97 OE1 GLN A 10 9.589 4.554 -7.196 1.00 0.00 O ATOM 98 NE2 GLN A 10 11.576 3.935 -6.353 1.00 0.00 N ATOM 0 H GLN A 10 8.673 0.500 -9.774 1.00 0.00 H new ATOM 0 HA GLN A 10 9.617 -0.223 -7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.461 2.067 -8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.015 2.287 -7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.248 2.212 -5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.685 1.603 -6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.150 3.187 -5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.963 4.873 -6.458 1.00 0.00 H new ATOM 107 N PRO A 11 7.756 -0.453 -5.588 1.00 0.00 N ATOM 108 CA PRO A 11 6.681 -0.811 -4.657 1.00 0.00 C ATOM 109 C PRO A 11 5.848 0.397 -4.242 1.00 0.00 C ATOM 110 O PRO A 11 4.679 0.262 -3.882 1.00 0.00 O ATOM 111 CB PRO A 11 7.431 -1.384 -3.452 1.00 0.00 C ATOM 112 CG PRO A 11 8.778 -0.751 -3.509 1.00 0.00 C ATOM 113 CD PRO A 11 9.087 -0.565 -4.969 1.00 0.00 C ATOM 0 HA PRO A 11 5.970 -1.506 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.921 -1.146 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.501 -2.470 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.783 0.204 -2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.526 -1.382 -3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.687 0.328 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.648 -1.409 -5.372 1.00 0.00 H new ATOM 121 N ASN A 12 6.457 1.577 -4.294 1.00 0.00 N ATOM 122 CA ASN A 12 5.771 2.809 -3.922 1.00 0.00 C ATOM 123 C ASN A 12 5.185 3.497 -5.152 1.00 0.00 C ATOM 124 O ASN A 12 4.036 3.936 -5.141 1.00 0.00 O ATOM 125 CB ASN A 12 6.733 3.756 -3.203 1.00 0.00 C ATOM 126 CG ASN A 12 7.800 3.013 -2.422 1.00 0.00 C ATOM 127 OD1 ASN A 12 7.432 1.866 -1.863 1.00 0.00 O flip ATOM 128 ND2 ASN A 12 8.940 3.466 -2.323 1.00 0.00 N flip ATOM 0 H ASN A 12 7.424 1.706 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 12 4.954 2.552 -3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.210 4.409 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.169 4.396 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.177 4.352 -2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.647 2.956 -1.794 1.00 0.00 H new ATOM 135 N ALA A 13 5.985 3.588 -6.209 1.00 0.00 N ATOM 136 CA ALA A 13 5.546 4.220 -7.447 1.00 0.00 C ATOM 137 C ALA A 13 4.215 3.642 -7.916 1.00 0.00 C ATOM 138 O ALA A 13 3.252 4.377 -8.139 1.00 0.00 O ATOM 139 CB ALA A 13 6.605 4.057 -8.527 1.00 0.00 C ATOM 0 H ALA A 13 6.941 3.232 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 13 5.402 5.283 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.264 4.534 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.534 4.524 -8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.777 2.996 -8.711 1.00 0.00 H new ATOM 145 N ILE A 14 4.168 2.323 -8.066 1.00 0.00 N ATOM 146 CA ILE A 14 2.954 1.647 -8.509 1.00 0.00 C ATOM 147 C ILE A 14 1.782 1.961 -7.585 1.00 0.00 C ATOM 148 O ILE A 14 0.701 2.335 -8.041 1.00 0.00 O ATOM 149 CB ILE A 14 3.150 0.121 -8.571 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.356 -0.225 -9.447 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.894 -0.553 -9.100 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.923 -1.601 -9.178 1.00 0.00 C ATOM 0 H ILE A 14 4.956 1.701 -7.887 1.00 0.00 H new ATOM 0 HA ILE A 14 2.734 2.017 -9.510 1.00 0.00 H new ATOM 0 HB ILE A 14 3.339 -0.247 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.064 -0.160 -10.495 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.137 0.519 -9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.048 -1.631 -9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.056 -0.329 -8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.676 -0.182 -10.102 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.775 -1.778 -9.835 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.246 -1.665 -8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.157 -2.353 -9.366 1.00 0.00 H new ATOM 164 N LEU A 15 2.004 1.808 -6.284 1.00 0.00 N ATOM 165 CA LEU A 15 0.967 2.076 -5.294 1.00 0.00 C ATOM 166 C LEU A 15 0.405 3.484 -5.463 1.00 0.00 C ATOM 167 O LEU A 15 -0.809 3.684 -5.442 1.00 0.00 O ATOM 168 CB LEU A 15 1.527 1.904 -3.881 1.00 0.00 C ATOM 169 CG LEU A 15 1.411 0.503 -3.279 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.239 0.398 -2.008 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.045 0.160 -3.001 1.00 0.00 C ATOM 0 H LEU A 15 2.893 1.500 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 15 0.159 1.361 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.580 2.187 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.015 2.605 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 15 1.800 -0.215 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.144 -0.606 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.285 0.598 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.882 1.126 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.108 -0.840 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.461 0.882 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.611 0.192 -3.932 1.00 0.00 H new ATOM 183 N GLU A 16 1.297 4.456 -5.631 1.00 0.00 N ATOM 184 CA GLU A 16 0.888 5.845 -5.805 1.00 0.00 C ATOM 185 C GLU A 16 0.109 6.024 -7.104 1.00 0.00 C ATOM 186 O GLU A 16 -0.774 6.877 -7.199 1.00 0.00 O ATOM 187 CB GLU A 16 2.112 6.764 -5.800 1.00 0.00 C ATOM 188 CG GLU A 16 1.769 8.232 -5.614 1.00 0.00 C ATOM 189 CD GLU A 16 2.998 9.095 -5.401 1.00 0.00 C ATOM 190 OE1 GLU A 16 3.765 8.813 -4.457 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.191 10.054 -6.178 1.00 0.00 O ATOM 0 H GLU A 16 2.306 4.307 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 16 0.238 6.113 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.786 6.453 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.652 6.642 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.226 8.588 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.101 8.340 -4.759 1.00 0.00 H new ATOM 198 N LYS A 17 0.442 5.215 -8.104 1.00 0.00 N ATOM 199 CA LYS A 17 -0.225 5.282 -9.398 1.00 0.00 C ATOM 200 C LYS A 17 -1.667 4.796 -9.293 1.00 0.00 C ATOM 201 O LYS A 17 -2.608 5.559 -9.514 1.00 0.00 O ATOM 202 CB LYS A 17 0.532 4.443 -10.430 1.00 0.00 C ATOM 203 CG LYS A 17 -0.230 4.242 -11.728 1.00 0.00 C ATOM 204 CD LYS A 17 0.500 3.289 -12.661 1.00 0.00 C ATOM 205 CE LYS A 17 -0.381 2.869 -13.828 1.00 0.00 C ATOM 206 NZ LYS A 17 0.097 1.606 -14.457 1.00 0.00 N ATOM 0 H LYS A 17 1.171 4.504 -8.042 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.233 6.323 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.485 4.925 -10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.759 3.469 -9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.224 3.850 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.368 5.203 -12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.403 3.768 -13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.817 2.406 -12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.406 2.737 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.398 3.663 -14.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.529 1.353 -15.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.066 1.740 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.089 0.842 -13.751 1.00 0.00 H new ATOM 220 N VAL A 18 -1.834 3.522 -8.952 1.00 0.00 N ATOM 221 CA VAL A 18 -3.162 2.935 -8.814 1.00 0.00 C ATOM 222 C VAL A 18 -4.027 3.751 -7.861 1.00 0.00 C ATOM 223 O VAL A 18 -5.247 3.590 -7.820 1.00 0.00 O ATOM 224 CB VAL A 18 -3.084 1.484 -8.304 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.474 0.872 -8.221 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.179 0.652 -9.201 1.00 0.00 C ATOM 0 H VAL A 18 -1.066 2.877 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.615 2.940 -9.806 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.656 1.492 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.399 -0.153 -7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.088 1.455 -7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.932 0.875 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.135 -0.370 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.576 0.649 -10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.177 1.080 -9.204 1.00 0.00 H new ATOM 236 N PHE A 19 -3.388 4.629 -7.094 1.00 0.00 N ATOM 237 CA PHE A 19 -4.100 5.471 -6.140 1.00 0.00 C ATOM 238 C PHE A 19 -4.942 6.519 -6.861 1.00 0.00 C ATOM 239 O PHE A 19 -5.977 6.956 -6.357 1.00 0.00 O ATOM 240 CB PHE A 19 -3.109 6.158 -5.196 1.00 0.00 C ATOM 241 CG PHE A 19 -3.770 7.016 -4.155 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.186 8.301 -4.460 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.974 6.536 -2.872 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.794 9.094 -3.505 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.582 7.323 -1.912 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.992 8.604 -2.228 1.00 0.00 C ATOM 0 H PHE A 19 -2.379 4.776 -7.115 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.766 4.834 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.506 5.398 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.427 6.773 -5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.034 8.688 -5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.655 5.536 -2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.114 10.095 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.736 6.937 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.466 9.221 -1.479 1.00 0.00 H new ATOM 256 N THR A 20 -4.491 6.919 -8.046 1.00 0.00 N ATOM 257 CA THR A 20 -5.201 7.916 -8.837 1.00 0.00 C ATOM 258 C THR A 20 -5.688 7.327 -10.156 1.00 0.00 C ATOM 259 O THR A 20 -6.810 7.590 -10.587 1.00 0.00 O ATOM 260 CB THR A 20 -4.310 9.138 -9.132 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.381 8.826 -10.176 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.553 9.569 -7.884 1.00 0.00 C ATOM 0 H THR A 20 -3.637 6.567 -8.479 1.00 0.00 H new ATOM 0 HA THR A 20 -6.059 8.235 -8.246 1.00 0.00 H new ATOM 0 HB THR A 20 -4.951 9.960 -9.451 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.820 9.608 -10.359 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.931 10.433 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.263 9.833 -7.101 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.922 8.749 -7.540 1.00 0.00 H new ATOM 270 N ALA A 21 -4.837 6.529 -10.792 1.00 0.00 N ATOM 271 CA ALA A 21 -5.182 5.900 -12.061 1.00 0.00 C ATOM 272 C ALA A 21 -6.363 4.949 -11.899 1.00 0.00 C ATOM 273 O ALA A 21 -7.110 4.705 -12.847 1.00 0.00 O ATOM 274 CB ALA A 21 -3.980 5.160 -12.628 1.00 0.00 C ATOM 0 H ALA A 21 -3.903 6.303 -10.449 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.474 6.684 -12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.253 4.695 -13.576 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.163 5.863 -12.790 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.662 4.390 -11.925 1.00 0.00 H new ATOM 280 N ILE A 22 -6.526 4.416 -10.693 1.00 0.00 N ATOM 281 CA ILE A 22 -7.617 3.492 -10.408 1.00 0.00 C ATOM 282 C ILE A 22 -8.502 4.017 -9.283 1.00 0.00 C ATOM 283 O ILE A 22 -9.653 4.395 -9.508 1.00 0.00 O ATOM 284 CB ILE A 22 -7.087 2.098 -10.021 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.227 1.524 -11.149 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.244 1.163 -9.701 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.091 0.018 -11.098 1.00 0.00 C ATOM 0 H ILE A 22 -5.917 4.608 -9.898 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.206 3.408 -11.321 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.466 2.195 -9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.661 1.809 -12.107 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.235 1.972 -11.103 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.854 0.182 -9.429 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.820 1.568 -8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.888 1.068 -10.575 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.469 -0.319 -11.927 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.629 -0.274 -10.155 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.077 -0.439 -11.175 1.00 0.00 H new ATOM 299 N THR A 23 -7.958 4.041 -8.071 1.00 0.00 N ATOM 300 CA THR A 23 -8.697 4.520 -6.910 1.00 0.00 C ATOM 301 C THR A 23 -7.797 4.613 -5.684 1.00 0.00 C ATOM 302 O THR A 23 -6.765 3.946 -5.606 1.00 0.00 O ATOM 303 CB THR A 23 -9.892 3.603 -6.587 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.639 4.140 -5.490 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.419 2.198 -6.245 1.00 0.00 C ATOM 0 H THR A 23 -7.007 3.734 -7.868 1.00 0.00 H new ATOM 0 HA THR A 23 -9.068 5.514 -7.161 1.00 0.00 H new ATOM 0 HB THR A 23 -10.530 3.550 -7.469 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.398 3.552 -5.292 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.280 1.569 -6.021 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.876 1.781 -7.093 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.762 2.237 -5.376 1.00 0.00 H new ATOM 313 N LYS A 24 -8.192 5.445 -4.727 1.00 0.00 N ATOM 314 CA LYS A 24 -7.422 5.625 -3.502 1.00 0.00 C ATOM 315 C LYS A 24 -7.725 4.515 -2.501 1.00 0.00 C ATOM 316 O LYS A 24 -6.830 4.028 -1.809 1.00 0.00 O ATOM 317 CB LYS A 24 -7.730 6.988 -2.877 1.00 0.00 C ATOM 318 CG LYS A 24 -7.865 8.107 -3.894 1.00 0.00 C ATOM 319 CD LYS A 24 -8.478 9.352 -3.276 1.00 0.00 C ATOM 320 CE LYS A 24 -8.404 10.540 -4.223 1.00 0.00 C ATOM 321 NZ LYS A 24 -9.298 10.366 -5.401 1.00 0.00 N ATOM 0 H LYS A 24 -9.042 6.006 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.363 5.580 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.655 6.915 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.938 7.242 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.884 8.348 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.483 7.771 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.519 9.156 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.959 9.592 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.681 11.449 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.377 10.670 -4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.219 11.196 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.018 9.513 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.282 10.267 -5.079 1.00 0.00 H new ATOM 335 N HIS A 25 -8.991 4.117 -2.429 1.00 0.00 N ATOM 336 CA HIS A 25 -9.411 3.062 -1.514 1.00 0.00 C ATOM 337 C HIS A 25 -9.742 1.782 -2.275 1.00 0.00 C ATOM 338 O HIS A 25 -10.905 1.457 -2.517 1.00 0.00 O ATOM 339 CB HIS A 25 -10.625 3.515 -0.703 1.00 0.00 C ATOM 340 CG HIS A 25 -10.471 4.880 -0.106 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.096 5.090 1.205 1.00 0.00 N ATOM 342 CD2 HIS A 25 -10.642 6.108 -0.648 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.045 6.389 1.443 1.00 0.00 C ATOM 344 NE2 HIS A 25 -10.372 7.029 0.334 1.00 0.00 N ATOM 0 H HIS A 25 -9.744 4.509 -2.994 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.585 2.856 -0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.505 3.506 -1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.807 2.796 0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.936 6.324 -1.664 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.781 6.849 2.384 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.417 8.042 0.225 1.00 0.00 H new ATOM 353 N PRO A 26 -8.696 1.037 -2.664 1.00 0.00 N ATOM 354 CA PRO A 26 -8.851 -0.219 -3.404 1.00 0.00 C ATOM 355 C PRO A 26 -9.447 -1.328 -2.545 1.00 0.00 C ATOM 356 O PRO A 26 -9.407 -1.264 -1.316 1.00 0.00 O ATOM 357 CB PRO A 26 -7.417 -0.569 -3.811 1.00 0.00 C ATOM 358 CG PRO A 26 -6.560 0.102 -2.794 1.00 0.00 C ATOM 359 CD PRO A 26 -7.283 1.364 -2.411 1.00 0.00 C ATOM 0 HA PRO A 26 -9.535 -0.115 -4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.258 -1.647 -3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.192 -0.212 -4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.409 -0.540 -1.926 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.574 0.325 -3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.111 1.624 -1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.954 2.213 -3.009 1.00 0.00 H new ATOM 367 N ASP A 27 -9.999 -2.344 -3.198 1.00 0.00 N ATOM 368 CA ASP A 27 -10.602 -3.470 -2.493 1.00 0.00 C ATOM 369 C ASP A 27 -9.691 -4.692 -2.541 1.00 0.00 C ATOM 370 O ASP A 27 -8.614 -4.652 -3.135 1.00 0.00 O ATOM 371 CB ASP A 27 -11.964 -3.808 -3.101 1.00 0.00 C ATOM 372 CG ASP A 27 -11.843 -4.581 -4.400 1.00 0.00 C ATOM 373 OD1 ASP A 27 -11.196 -4.068 -5.337 1.00 0.00 O ATOM 374 OD2 ASP A 27 -12.393 -5.699 -4.479 1.00 0.00 O ATOM 0 H ASP A 27 -10.042 -2.412 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.739 -3.184 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.543 -4.393 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.517 -2.886 -3.280 1.00 0.00 H new ATOM 379 N GLU A 28 -10.132 -5.777 -1.912 1.00 0.00 N ATOM 380 CA GLU A 28 -9.355 -7.011 -1.882 1.00 0.00 C ATOM 381 C GLU A 28 -8.972 -7.447 -3.293 1.00 0.00 C ATOM 382 O GLU A 28 -7.799 -7.678 -3.588 1.00 0.00 O ATOM 383 CB GLU A 28 -10.147 -8.122 -1.190 1.00 0.00 C ATOM 384 CG GLU A 28 -11.523 -8.353 -1.789 1.00 0.00 C ATOM 385 CD GLU A 28 -12.408 -9.211 -0.907 1.00 0.00 C ATOM 386 OE1 GLU A 28 -12.538 -8.890 0.294 1.00 0.00 O ATOM 387 OE2 GLU A 28 -12.970 -10.204 -1.415 1.00 0.00 O ATOM 0 H GLU A 28 -11.022 -5.827 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.441 -6.821 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.577 -9.050 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.257 -7.875 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.008 -7.391 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.415 -8.830 -2.763 1.00 0.00 H new ATOM 394 N LYS A 29 -9.971 -7.559 -4.162 1.00 0.00 N ATOM 395 CA LYS A 29 -9.741 -7.967 -5.543 1.00 0.00 C ATOM 396 C LYS A 29 -8.673 -7.097 -6.198 1.00 0.00 C ATOM 397 O LYS A 29 -7.820 -7.594 -6.933 1.00 0.00 O ATOM 398 CB LYS A 29 -11.043 -7.884 -6.344 1.00 0.00 C ATOM 399 CG LYS A 29 -11.994 -9.039 -6.082 1.00 0.00 C ATOM 400 CD LYS A 29 -11.632 -10.259 -6.913 1.00 0.00 C ATOM 401 CE LYS A 29 -12.637 -11.383 -6.718 1.00 0.00 C ATOM 402 NZ LYS A 29 -12.261 -12.274 -5.585 1.00 0.00 N ATOM 0 H LYS A 29 -10.948 -7.373 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.390 -8.999 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.548 -6.948 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.804 -7.855 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.970 -9.298 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.014 -8.731 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.592 -9.984 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.637 -10.607 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.624 -10.959 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.707 -11.970 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.971 -13.027 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.330 -12.699 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.219 -11.719 -4.706 1.00 0.00 H new ATOM 416 N ARG A 30 -8.725 -5.798 -5.924 1.00 0.00 N ATOM 417 CA ARG A 30 -7.761 -4.859 -6.486 1.00 0.00 C ATOM 418 C ARG A 30 -6.374 -5.082 -5.889 1.00 0.00 C ATOM 419 O ARG A 30 -5.421 -5.392 -6.606 1.00 0.00 O ATOM 420 CB ARG A 30 -8.212 -3.420 -6.232 1.00 0.00 C ATOM 421 CG ARG A 30 -7.732 -2.437 -7.287 1.00 0.00 C ATOM 422 CD ARG A 30 -6.349 -1.897 -6.958 1.00 0.00 C ATOM 423 NE ARG A 30 -5.301 -2.878 -7.226 1.00 0.00 N ATOM 424 CZ ARG A 30 -4.955 -3.269 -8.448 1.00 0.00 C ATOM 425 NH1 ARG A 30 -5.570 -2.764 -9.508 1.00 0.00 N ATOM 426 NH2 ARG A 30 -3.991 -4.166 -8.611 1.00 0.00 N ATOM 0 H ARG A 30 -9.424 -5.371 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.707 -5.031 -7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.301 -3.391 -6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.846 -3.100 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.710 -2.928 -8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.438 -1.610 -7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.162 -0.997 -7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.314 -1.606 -5.908 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.808 -3.285 -6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.311 -2.073 -9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.302 -3.066 -10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.515 -4.556 -7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.726 -4.465 -9.549 1.00 0.00 H new ATOM 440 N LEU A 31 -6.268 -4.923 -4.575 1.00 0.00 N ATOM 441 CA LEU A 31 -4.998 -5.106 -3.882 1.00 0.00 C ATOM 442 C LEU A 31 -4.340 -6.420 -4.290 1.00 0.00 C ATOM 443 O LEU A 31 -3.117 -6.502 -4.408 1.00 0.00 O ATOM 444 CB LEU A 31 -5.212 -5.079 -2.367 1.00 0.00 C ATOM 445 CG LEU A 31 -5.844 -3.806 -1.802 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.656 -4.122 -0.555 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.774 -2.769 -1.495 1.00 0.00 C ATOM 0 H LEU A 31 -7.047 -4.668 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.337 -4.286 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.842 -5.926 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.248 -5.229 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.516 -3.393 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.098 -3.205 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.447 -4.829 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.005 -4.560 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.243 -1.870 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.076 -3.173 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.235 -2.520 -2.409 1.00 0.00 H new ATOM 459 N GLU A 32 -5.159 -7.445 -4.506 1.00 0.00 N ATOM 460 CA GLU A 32 -4.655 -8.754 -4.902 1.00 0.00 C ATOM 461 C GLU A 32 -3.693 -8.633 -6.081 1.00 0.00 C ATOM 462 O GLU A 32 -2.717 -9.376 -6.179 1.00 0.00 O ATOM 463 CB GLU A 32 -5.815 -9.682 -5.271 1.00 0.00 C ATOM 464 CG GLU A 32 -6.387 -10.440 -4.085 1.00 0.00 C ATOM 465 CD GLU A 32 -7.390 -11.499 -4.499 1.00 0.00 C ATOM 466 OE1 GLU A 32 -7.150 -12.174 -5.522 1.00 0.00 O ATOM 467 OE2 GLU A 32 -8.414 -11.653 -3.801 1.00 0.00 O ATOM 0 H GLU A 32 -6.173 -7.394 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.115 -9.178 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.608 -9.093 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.473 -10.398 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.574 -10.911 -3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.867 -9.736 -3.406 1.00 0.00 H new ATOM 474 N GLY A 33 -3.976 -7.690 -6.975 1.00 0.00 N ATOM 475 CA GLY A 33 -3.128 -7.488 -8.135 1.00 0.00 C ATOM 476 C GLY A 33 -1.769 -6.926 -7.769 1.00 0.00 C ATOM 477 O GLY A 33 -0.742 -7.394 -8.262 1.00 0.00 O ATOM 0 H GLY A 33 -4.778 -7.062 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.997 -8.437 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.623 -6.809 -8.829 1.00 0.00 H new ATOM 481 N LEU A 34 -1.761 -5.919 -6.903 1.00 0.00 N ATOM 482 CA LEU A 34 -0.517 -5.290 -6.472 1.00 0.00 C ATOM 483 C LEU A 34 0.360 -6.281 -5.714 1.00 0.00 C ATOM 484 O LEU A 34 1.582 -6.284 -5.862 1.00 0.00 O ATOM 485 CB LEU A 34 -0.815 -4.077 -5.589 1.00 0.00 C ATOM 486 CG LEU A 34 -0.967 -2.740 -6.315 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.506 -1.677 -5.370 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.363 -2.302 -6.910 1.00 0.00 C ATOM 0 H LEU A 34 -2.602 -5.520 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 34 0.022 -4.961 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.733 -4.273 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.014 -3.981 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.681 -2.870 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.607 -0.733 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.480 -1.986 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.817 -1.549 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.236 -1.349 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.099 -2.190 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.709 -3.053 -7.621 1.00 0.00 H new ATOM 500 N SER A 35 -0.273 -7.124 -4.903 1.00 0.00 N ATOM 501 CA SER A 35 0.450 -8.119 -4.120 1.00 0.00 C ATOM 502 C SER A 35 1.635 -8.673 -4.906 1.00 0.00 C ATOM 503 O SER A 35 2.733 -8.829 -4.371 1.00 0.00 O ATOM 504 CB SER A 35 -0.486 -9.260 -3.717 1.00 0.00 C ATOM 505 OG SER A 35 0.222 -10.288 -3.047 1.00 0.00 O ATOM 0 H SER A 35 -1.284 -7.137 -4.772 1.00 0.00 H new ATOM 0 HA SER A 35 0.828 -7.633 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.275 -8.876 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.971 -9.667 -4.604 1.00 0.00 H new ATOM 0 HG SER A 35 0.579 -9.942 -2.202 1.00 0.00 H new ATOM 511 N LYS A 36 1.405 -8.968 -6.181 1.00 0.00 N ATOM 512 CA LYS A 36 2.451 -9.503 -7.044 1.00 0.00 C ATOM 513 C LYS A 36 3.576 -8.490 -7.227 1.00 0.00 C ATOM 514 O LYS A 36 4.734 -8.774 -6.923 1.00 0.00 O ATOM 515 CB LYS A 36 1.870 -9.889 -8.406 1.00 0.00 C ATOM 516 CG LYS A 36 1.365 -11.320 -8.469 1.00 0.00 C ATOM 517 CD LYS A 36 2.484 -12.291 -8.807 1.00 0.00 C ATOM 518 CE LYS A 36 2.031 -13.736 -8.663 1.00 0.00 C ATOM 519 NZ LYS A 36 2.095 -14.198 -7.248 1.00 0.00 N ATOM 0 H LYS A 36 0.502 -8.845 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 36 2.862 -10.393 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.050 -9.212 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.634 -9.748 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.922 -11.593 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.577 -11.396 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.824 -12.115 -9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.336 -12.109 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.010 -13.835 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.658 -14.377 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.779 -15.187 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.074 -14.127 -6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.477 -13.603 -6.660 1.00 0.00 H new ATOM 533 N GLN A 37 3.226 -7.308 -7.725 1.00 0.00 N ATOM 534 CA GLN A 37 4.208 -6.253 -7.948 1.00 0.00 C ATOM 535 C GLN A 37 4.947 -5.916 -6.657 1.00 0.00 C ATOM 536 O GLN A 37 6.175 -5.998 -6.593 1.00 0.00 O ATOM 537 CB GLN A 37 3.525 -5.001 -8.501 1.00 0.00 C ATOM 538 CG GLN A 37 3.261 -5.062 -9.996 1.00 0.00 C ATOM 539 CD GLN A 37 2.036 -4.267 -10.405 1.00 0.00 C ATOM 540 OE1 GLN A 37 2.257 -3.125 -11.046 1.00 0.00 O flip ATOM 541 NE2 GLN A 37 0.903 -4.675 -10.149 1.00 0.00 N flip ATOM 0 H GLN A 37 2.271 -7.057 -7.981 1.00 0.00 H new ATOM 0 HA GLN A 37 4.934 -6.614 -8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.579 -4.853 -7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.148 -4.133 -8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.131 -4.682 -10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.132 -6.102 -10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.779 -5.558 -9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.089 -4.130 -10.432 1.00 0.00 H new ATOM 550 N LEU A 38 4.193 -5.536 -5.632 1.00 0.00 N ATOM 551 CA LEU A 38 4.777 -5.186 -4.341 1.00 0.00 C ATOM 552 C LEU A 38 5.365 -6.416 -3.658 1.00 0.00 C ATOM 553 O LEU A 38 6.273 -6.307 -2.834 1.00 0.00 O ATOM 554 CB LEU A 38 3.722 -4.543 -3.440 1.00 0.00 C ATOM 555 CG LEU A 38 2.816 -3.504 -4.102 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.814 -2.954 -3.100 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.646 -2.378 -4.702 1.00 0.00 C ATOM 0 H LEU A 38 3.176 -5.462 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 38 5.581 -4.471 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.094 -5.333 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.230 -4.070 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 38 2.264 -3.991 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.178 -2.216 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.198 -3.768 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.347 -2.483 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.985 -1.648 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.224 -1.893 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.324 -2.785 -5.452 1.00 0.00 H new ATOM 569 N ASP A 39 4.843 -7.587 -4.007 1.00 0.00 N ATOM 570 CA ASP A 39 5.318 -8.839 -3.430 1.00 0.00 C ATOM 571 C ASP A 39 4.988 -8.911 -1.942 1.00 0.00 C ATOM 572 O ASP A 39 5.698 -9.555 -1.170 1.00 0.00 O ATOM 573 CB ASP A 39 6.826 -8.981 -3.638 1.00 0.00 C ATOM 574 CG ASP A 39 7.273 -8.483 -4.998 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.044 -9.198 -5.997 1.00 0.00 O ATOM 576 OD2 ASP A 39 7.851 -7.378 -5.065 1.00 0.00 O ATOM 0 H ASP A 39 4.090 -7.695 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 39 4.810 -9.660 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.351 -8.426 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.108 -10.028 -3.527 1.00 0.00 H new ATOM 581 N TRP A 40 3.907 -8.247 -1.549 1.00 0.00 N ATOM 582 CA TRP A 40 3.484 -8.235 -0.153 1.00 0.00 C ATOM 583 C TRP A 40 2.134 -8.924 0.012 1.00 0.00 C ATOM 584 O TRP A 40 1.527 -9.363 -0.965 1.00 0.00 O ATOM 585 CB TRP A 40 3.405 -6.798 0.365 1.00 0.00 C ATOM 586 CG TRP A 40 4.613 -5.978 0.028 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.878 -6.438 -0.204 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.670 -4.554 -0.112 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.717 -5.386 -0.480 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.001 -4.220 -0.431 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.726 -3.529 -0.002 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.408 -2.905 -0.639 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.132 -2.225 -0.208 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.463 -1.921 -0.525 1.00 0.00 C ATOM 0 H TRP A 40 3.308 -7.710 -2.176 1.00 0.00 H new ATOM 0 HA TRP A 40 4.224 -8.783 0.430 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.520 -6.317 -0.052 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.277 -6.816 1.447 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.175 -7.476 -0.175 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.713 -5.461 -0.688 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.697 -3.753 0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.434 -2.669 -0.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.411 -1.425 -0.123 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.748 -0.891 -0.682 1.00 0.00 H new ATOM 605 N ASP A 41 1.669 -9.014 1.253 1.00 0.00 N ATOM 606 CA ASP A 41 0.388 -9.648 1.546 1.00 0.00 C ATOM 607 C ASP A 41 -0.764 -8.674 1.321 1.00 0.00 C ATOM 608 O ASP A 41 -0.642 -7.479 1.589 1.00 0.00 O ATOM 609 CB ASP A 41 0.366 -10.160 2.987 1.00 0.00 C ATOM 610 CG ASP A 41 1.145 -11.451 3.155 1.00 0.00 C ATOM 611 OD1 ASP A 41 0.649 -12.506 2.706 1.00 0.00 O ATOM 612 OD2 ASP A 41 2.250 -11.405 3.734 1.00 0.00 O ATOM 0 H ASP A 41 2.160 -8.656 2.073 1.00 0.00 H new ATOM 0 HA ASP A 41 0.264 -10.492 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.783 -9.399 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.667 -10.319 3.297 1.00 0.00 H new ATOM 617 N VAL A 42 -1.883 -9.194 0.826 1.00 0.00 N ATOM 618 CA VAL A 42 -3.058 -8.371 0.565 1.00 0.00 C ATOM 619 C VAL A 42 -3.292 -7.374 1.694 1.00 0.00 C ATOM 620 O VAL A 42 -3.826 -6.286 1.474 1.00 0.00 O ATOM 621 CB VAL A 42 -4.321 -9.235 0.388 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.543 -8.357 0.171 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.142 -10.210 -0.766 1.00 0.00 C ATOM 0 H VAL A 42 -2.000 -10.181 0.598 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.865 -7.829 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.476 -9.812 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.425 -8.985 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.680 -7.704 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.401 -7.751 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.044 -10.812 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.961 -9.655 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.293 -10.862 -0.563 1.00 0.00 H new ATOM 633 N ARG A 43 -2.889 -7.751 2.903 1.00 0.00 N ATOM 634 CA ARG A 43 -3.055 -6.889 4.067 1.00 0.00 C ATOM 635 C ARG A 43 -1.890 -5.912 4.191 1.00 0.00 C ATOM 636 O ARG A 43 -2.060 -4.782 4.649 1.00 0.00 O ATOM 637 CB ARG A 43 -3.166 -7.731 5.339 1.00 0.00 C ATOM 638 CG ARG A 43 -4.433 -8.569 5.406 1.00 0.00 C ATOM 639 CD ARG A 43 -4.362 -9.597 6.524 1.00 0.00 C ATOM 640 NE ARG A 43 -3.511 -10.731 6.172 1.00 0.00 N ATOM 641 CZ ARG A 43 -3.490 -11.873 6.851 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.268 -12.031 7.912 1.00 0.00 N ATOM 643 NH2 ARG A 43 -2.688 -12.859 6.468 1.00 0.00 N ATOM 0 H ARG A 43 -2.445 -8.648 3.102 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.974 -6.317 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.300 -8.390 5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.131 -7.071 6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.293 -7.918 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.586 -9.076 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.979 -9.123 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.366 -9.954 6.752 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.899 -10.641 5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.885 -11.275 8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.250 -12.909 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.087 -12.740 5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.672 -13.735 6.990 1.00 0.00 H new ATOM 657 N SER A 44 -0.706 -6.356 3.781 1.00 0.00 N ATOM 658 CA SER A 44 0.489 -5.522 3.850 1.00 0.00 C ATOM 659 C SER A 44 0.363 -4.315 2.926 1.00 0.00 C ATOM 660 O SER A 44 0.950 -3.262 3.179 1.00 0.00 O ATOM 661 CB SER A 44 1.728 -6.338 3.477 1.00 0.00 C ATOM 662 OG SER A 44 1.950 -7.383 4.408 1.00 0.00 O ATOM 0 H SER A 44 -0.548 -7.288 3.398 1.00 0.00 H new ATOM 0 HA SER A 44 0.594 -5.164 4.874 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.604 -6.757 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.600 -5.685 3.443 1.00 0.00 H new ATOM 0 HG SER A 44 2.746 -7.891 4.146 1.00 0.00 H new ATOM 668 N ILE A 45 -0.405 -4.476 1.853 1.00 0.00 N ATOM 669 CA ILE A 45 -0.608 -3.400 0.891 1.00 0.00 C ATOM 670 C ILE A 45 -1.448 -2.278 1.492 1.00 0.00 C ATOM 671 O ILE A 45 -1.023 -1.124 1.529 1.00 0.00 O ATOM 672 CB ILE A 45 -1.295 -3.912 -0.389 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.597 -5.175 -0.898 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.293 -2.831 -1.459 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.279 -5.802 -2.094 1.00 0.00 C ATOM 0 H ILE A 45 -0.897 -5.341 1.628 1.00 0.00 H new ATOM 0 HA ILE A 45 0.379 -3.015 0.634 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.330 -4.161 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.431 -4.930 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.552 -5.906 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.782 -3.208 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.830 -1.956 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.265 -2.554 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.730 -6.692 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.299 -6.079 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.300 -5.087 -2.917 1.00 0.00 H new ATOM 687 N GLN A 46 -2.642 -2.626 1.962 1.00 0.00 N ATOM 688 CA GLN A 46 -3.541 -1.648 2.561 1.00 0.00 C ATOM 689 C GLN A 46 -2.791 -0.743 3.533 1.00 0.00 C ATOM 690 O GLN A 46 -3.119 0.434 3.680 1.00 0.00 O ATOM 691 CB GLN A 46 -4.688 -2.355 3.286 1.00 0.00 C ATOM 692 CG GLN A 46 -5.720 -2.958 2.347 1.00 0.00 C ATOM 693 CD GLN A 46 -7.028 -3.276 3.044 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.773 -2.376 3.433 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.316 -4.563 3.206 1.00 0.00 N ATOM 0 H GLN A 46 -3.008 -3.578 1.939 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.951 -1.031 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.277 -3.144 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.182 -1.644 3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.909 -2.265 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.316 -3.870 1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.670 -5.277 2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.183 -4.837 3.668 1.00 0.00 H new ATOM 704 N ARG A 47 -1.784 -1.302 4.196 1.00 0.00 N ATOM 705 CA ARG A 47 -0.988 -0.545 5.156 1.00 0.00 C ATOM 706 C ARG A 47 -0.455 0.739 4.527 1.00 0.00 C ATOM 707 O ARG A 47 -0.429 1.790 5.167 1.00 0.00 O ATOM 708 CB ARG A 47 0.176 -1.396 5.668 1.00 0.00 C ATOM 709 CG ARG A 47 -0.263 -2.587 6.504 1.00 0.00 C ATOM 710 CD ARG A 47 0.808 -2.990 7.505 1.00 0.00 C ATOM 711 NE ARG A 47 0.279 -3.857 8.555 1.00 0.00 N ATOM 712 CZ ARG A 47 1.014 -4.339 9.550 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.303 -4.041 9.632 1.00 0.00 N ATOM 714 NH2 ARG A 47 0.460 -5.122 10.467 1.00 0.00 N ATOM 0 H ARG A 47 -1.500 -2.275 4.087 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.631 -0.279 5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.755 -1.754 4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.839 -0.769 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.184 -2.342 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.487 -3.430 5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.616 -3.504 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.237 -2.095 7.956 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.710 -4.106 8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.733 -3.440 8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.865 -4.413 10.398 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.531 -5.354 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.026 -5.492 11.231 1.00 0.00 H new ATOM 728 N TRP A 48 -0.030 0.645 3.273 1.00 0.00 N ATOM 729 CA TRP A 48 0.504 1.800 2.558 1.00 0.00 C ATOM 730 C TRP A 48 -0.603 2.797 2.232 1.00 0.00 C ATOM 731 O TRP A 48 -0.474 3.991 2.502 1.00 0.00 O ATOM 732 CB TRP A 48 1.199 1.352 1.272 1.00 0.00 C ATOM 733 CG TRP A 48 1.931 2.460 0.576 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.268 2.731 0.647 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.366 3.446 -0.294 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.568 3.826 -0.126 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.418 4.283 -0.715 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.074 3.703 -0.761 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.216 5.357 -1.578 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.125 4.770 -1.617 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.941 5.585 -2.019 1.00 0.00 C ATOM 0 H TRP A 48 -0.044 -0.218 2.730 1.00 0.00 H new ATOM 0 HA TRP A 48 1.232 2.292 3.203 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.902 0.553 1.507 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.456 0.934 0.593 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.984 2.167 1.226 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.496 4.233 -0.243 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.754 3.079 -0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.036 5.987 -1.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.120 4.979 -1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.753 6.410 -2.690 1.00 0.00 H new ATOM 752 N PHE A 49 -1.689 2.300 1.651 1.00 0.00 N ATOM 753 CA PHE A 49 -2.818 3.148 1.288 1.00 0.00 C ATOM 754 C PHE A 49 -3.316 3.938 2.495 1.00 0.00 C ATOM 755 O PHE A 49 -3.366 5.168 2.468 1.00 0.00 O ATOM 756 CB PHE A 49 -3.956 2.301 0.714 1.00 0.00 C ATOM 757 CG PHE A 49 -3.825 2.039 -0.759 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.133 3.026 -1.681 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.393 0.807 -1.221 1.00 0.00 C ATOM 760 CE1 PHE A 49 -4.014 2.787 -3.037 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.271 0.562 -2.576 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.581 1.554 -3.485 1.00 0.00 C ATOM 0 H PHE A 49 -1.811 1.314 1.421 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.480 3.853 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.991 1.348 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.904 2.805 0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.470 3.993 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.148 0.028 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.259 3.564 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.934 -0.404 -2.923 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.485 1.366 -4.544 1.00 0.00 H new ATOM 772 N ARG A 50 -3.683 3.222 3.553 1.00 0.00 N ATOM 773 CA ARG A 50 -4.178 3.855 4.769 1.00 0.00 C ATOM 774 C ARG A 50 -3.201 4.917 5.266 1.00 0.00 C ATOM 775 O ARG A 50 -3.594 5.863 5.948 1.00 0.00 O ATOM 776 CB ARG A 50 -4.404 2.806 5.860 1.00 0.00 C ATOM 777 CG ARG A 50 -3.125 2.132 6.331 1.00 0.00 C ATOM 778 CD ARG A 50 -3.395 1.160 7.469 1.00 0.00 C ATOM 779 NE ARG A 50 -2.202 0.916 8.275 1.00 0.00 N ATOM 780 CZ ARG A 50 -2.224 0.303 9.453 1.00 0.00 C ATOM 781 NH1 ARG A 50 -3.372 -0.127 9.959 1.00 0.00 N ATOM 782 NH2 ARG A 50 -1.096 0.119 10.128 1.00 0.00 N ATOM 0 H ARG A 50 -3.647 2.203 3.592 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.127 4.338 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.890 3.280 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.089 2.045 5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.664 1.600 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.413 2.889 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.187 1.557 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.756 0.216 7.061 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.303 1.234 7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.241 0.013 9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.386 -0.597 10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.211 0.449 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.114 -0.352 11.033 1.00 0.00 H new ATOM 796 N GLN A 51 -1.929 4.753 4.918 1.00 0.00 N ATOM 797 CA GLN A 51 -0.897 5.698 5.329 1.00 0.00 C ATOM 798 C GLN A 51 -0.887 6.923 4.420 1.00 0.00 C ATOM 799 O GLN A 51 -0.762 8.054 4.889 1.00 0.00 O ATOM 800 CB GLN A 51 0.476 5.024 5.313 1.00 0.00 C ATOM 801 CG GLN A 51 0.812 4.297 6.605 1.00 0.00 C ATOM 802 CD GLN A 51 2.305 4.139 6.814 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.946 3.296 6.186 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.868 4.951 7.701 1.00 0.00 N ATOM 0 H GLN A 51 -1.588 3.975 4.353 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.122 6.024 6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.514 4.315 4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.239 5.778 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.387 4.844 7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.344 3.313 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.299 5.635 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.870 4.890 7.884 1.00 0.00 H new ATOM 813 N ARG A 52 -1.018 6.689 3.118 1.00 0.00 N ATOM 814 CA ARG A 52 -1.022 7.773 2.144 1.00 0.00 C ATOM 815 C ARG A 52 -2.167 8.744 2.415 1.00 0.00 C ATOM 816 O ARG A 52 -1.942 9.918 2.711 1.00 0.00 O ATOM 817 CB ARG A 52 -1.141 7.212 0.725 1.00 0.00 C ATOM 818 CG ARG A 52 -1.026 8.270 -0.360 1.00 0.00 C ATOM 819 CD ARG A 52 0.426 8.572 -0.692 1.00 0.00 C ATOM 820 NE ARG A 52 1.021 9.511 0.256 1.00 0.00 N ATOM 821 CZ ARG A 52 2.210 10.077 0.082 1.00 0.00 C ATOM 822 NH1 ARG A 52 2.928 9.801 -0.998 1.00 0.00 N ATOM 823 NH2 ARG A 52 2.684 10.921 0.990 1.00 0.00 N ATOM 0 H ARG A 52 -1.123 5.758 2.714 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.080 8.314 2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.364 6.462 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.099 6.703 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.542 7.930 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.523 9.183 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.998 7.644 -0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.489 8.985 -1.699 1.00 0.00 H new ATOM 0 HE ARG A 52 0.494 9.745 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.568 9.152 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.841 10.237 -1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.135 11.136 1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.597 11.355 0.855 1.00 0.00 H new ATOM 837 N ARG A 53 -3.395 8.246 2.313 1.00 0.00 N ATOM 838 CA ARG A 53 -4.576 9.070 2.546 1.00 0.00 C ATOM 839 C ARG A 53 -4.364 9.999 3.738 1.00 0.00 C ATOM 840 O ARG A 53 -4.588 11.205 3.645 1.00 0.00 O ATOM 841 CB ARG A 53 -5.801 8.186 2.786 1.00 0.00 C ATOM 842 CG ARG A 53 -6.527 7.792 1.510 1.00 0.00 C ATOM 843 CD ARG A 53 -7.604 8.802 1.147 1.00 0.00 C ATOM 844 NE ARG A 53 -7.036 10.090 0.755 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.696 11.240 0.839 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.939 11.263 1.300 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.112 12.370 0.463 1.00 0.00 N ATOM 0 H ARG A 53 -3.598 7.276 2.071 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.744 9.679 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.490 7.283 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.495 8.712 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.811 7.713 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.978 6.807 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.209 8.409 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.270 8.943 1.998 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.081 10.107 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.391 10.396 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.443 12.147 1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.155 12.357 0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.619 13.252 0.528 1.00 0.00 H new ATOM 861 N ASN A 54 -3.930 9.428 4.857 1.00 0.00 N ATOM 862 CA ASN A 54 -3.689 10.204 6.067 1.00 0.00 C ATOM 863 C ASN A 54 -2.796 11.406 5.774 1.00 0.00 C ATOM 864 O ASN A 54 -3.179 12.550 6.020 1.00 0.00 O ATOM 865 CB ASN A 54 -3.045 9.326 7.142 1.00 0.00 C ATOM 866 CG ASN A 54 -2.894 10.050 8.466 1.00 0.00 C ATOM 867 OD1 ASN A 54 -2.986 11.276 8.530 1.00 0.00 O ATOM 868 ND2 ASN A 54 -2.662 9.291 9.531 1.00 0.00 N ATOM 0 H ASN A 54 -3.738 8.431 4.950 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.649 10.568 6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.650 8.431 7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.065 8.995 6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.552 9.721 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.594 8.278 9.430 1.00 0.00 H new