USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 547 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 18 LYS NZ :NH3+ -145:sc= -3.98 (180deg=-3.56!) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -4.67 K(o=-8.7,f=-12!) USER MOD Set 2.1: A 30 GLN : amide:sc= 0 K(o=-0.15,f=-5.4!) USER MOD Set 2.2: A 75 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.206 F(o=-1.7!,f=-0.21) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.137 F(o=-0.82!,f=-0.14) USER MOD Single : A 19 GLN : amide:sc= -4.2 X(o=-4.2,f=-4!) USER MOD Single : A 23 SER OG : rot 80:sc= 1.33 USER MOD Single : A 28 ASN : amide:sc= -5.24! C(o=-5.2!,f=-8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.99 K(o=-3,f=-6.3!) USER MOD Single : A 46 GLN : amide:sc= -0.587 K(o=-0.59,f=-2.1!) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -1.71 (180deg=-2.46) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 60 MET CE :methyl 167:sc= 0 (180deg=-0.0145) USER MOD Single : A 61 CYS SG : rot -80:sc= 0.508 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -160:sc= -1.68 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.344 K(o=-0.34,f=-1.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.3!) USER MOD Single : A 79 ASN : amide:sc= -0.12 K(o=-0.12,f=-2!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.155 50.685 2.094 1.00 0.00 N ATOM 93 CA LYS A 8 4.375 49.246 2.142 1.00 0.00 C ATOM 94 C LYS A 8 5.860 48.945 2.328 1.00 0.00 C ATOM 95 O LYS A 8 6.715 49.744 1.948 1.00 0.00 O ATOM 96 CB LYS A 8 3.870 48.596 0.853 1.00 0.00 C ATOM 97 CG LYS A 8 2.371 48.860 0.704 1.00 0.00 C ATOM 98 CD LYS A 8 1.837 48.109 -0.516 1.00 0.00 C ATOM 99 CE LYS A 8 0.425 48.596 -0.836 1.00 0.00 C ATOM 100 NZ LYS A 8 0.035 48.121 -2.193 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.824 48.836 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.408 48.998 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.061 47.523 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.844 48.537 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.189 49.929 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.492 48.272 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.828 47.037 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.278 48.222 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.385 49.684 -0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.926 48.451 -2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.701 48.498 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.058 47.082 -2.217 1.00 0.00 H new ATOM 114 N PHE A 9 6.157 47.792 2.917 1.00 0.00 N ATOM 115 CA PHE A 9 7.541 47.395 3.153 1.00 0.00 C ATOM 116 C PHE A 9 8.205 46.936 1.858 1.00 0.00 C ATOM 117 O PHE A 9 7.538 46.447 0.945 1.00 0.00 O ATOM 118 CB PHE A 9 7.597 46.251 4.168 1.00 0.00 C ATOM 119 CG PHE A 9 7.402 46.778 5.573 1.00 0.00 C ATOM 120 CD1 PHE A 9 8.485 47.329 6.267 1.00 0.00 C ATOM 121 CD2 PHE A 9 6.145 46.696 6.188 1.00 0.00 C ATOM 122 CE1 PHE A 9 8.314 47.800 7.573 1.00 0.00 C ATOM 123 CE2 PHE A 9 5.976 47.165 7.495 1.00 0.00 C ATOM 124 CZ PHE A 9 7.061 47.717 8.188 1.00 0.00 C ATOM 0 H PHE A 9 5.462 47.118 3.239 1.00 0.00 H new ATOM 0 HA PHE A 9 8.074 48.263 3.541 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.826 45.516 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.557 45.739 4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.454 47.391 5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.308 46.271 5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.150 48.228 8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.008 47.101 7.970 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.930 48.078 9.197 1.00 0.00 H new ATOM 134 N THR A 10 9.524 47.087 1.795 1.00 0.00 N ATOM 135 CA THR A 10 10.278 46.674 0.617 1.00 0.00 C ATOM 136 C THR A 10 10.628 45.198 0.711 1.00 0.00 C ATOM 137 O THR A 10 10.606 44.618 1.795 1.00 0.00 O ATOM 138 CB THR A 10 11.567 47.489 0.506 1.00 0.00 C ATOM 139 OG1 THR A 10 12.376 47.239 1.648 1.00 0.00 O ATOM 140 CG2 THR A 10 11.231 48.978 0.427 1.00 0.00 C ATOM 0 H THR A 10 10.090 47.490 2.541 1.00 0.00 H new ATOM 0 HA THR A 10 9.662 46.846 -0.266 1.00 0.00 H new ATOM 0 HB THR A 10 12.107 47.199 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 10 13.205 47.758 1.582 1.00 0.00 H new ATOM 0 HG21 THR A 10 12.152 49.555 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.610 49.165 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.691 49.277 1.325 1.00 0.00 H new ATOM 148 N ASP A 11 10.954 44.590 -0.420 1.00 0.00 N ATOM 149 CA ASP A 11 11.305 43.183 -0.422 1.00 0.00 C ATOM 150 C ASP A 11 12.443 42.923 0.564 1.00 0.00 C ATOM 151 O ASP A 11 12.438 41.920 1.275 1.00 0.00 O ATOM 152 CB ASP A 11 11.709 42.743 -1.829 1.00 0.00 C ATOM 153 CG ASP A 11 10.495 42.800 -2.753 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.425 43.138 -2.272 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.649 42.494 -3.924 1.00 0.00 O1- ATOM 0 H ASP A 11 10.982 45.043 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 11 10.436 42.603 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.499 43.390 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.111 41.730 -1.803 1.00 0.00 H new ATOM 160 N ASP A 12 13.411 43.841 0.620 1.00 0.00 N ATOM 161 CA ASP A 12 14.530 43.685 1.548 1.00 0.00 C ATOM 162 C ASP A 12 14.030 43.763 2.984 1.00 0.00 C ATOM 163 O ASP A 12 14.375 42.928 3.820 1.00 0.00 O ATOM 164 CB ASP A 12 15.578 44.780 1.320 1.00 0.00 C ATOM 165 CG ASP A 12 16.159 44.675 -0.086 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.236 43.569 -0.594 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.522 45.704 -0.631 1.00 0.00 O ATOM 0 H ASP A 12 13.443 44.683 0.046 1.00 0.00 H new ATOM 0 HA ASP A 12 14.987 42.712 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.125 45.761 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.375 44.689 2.058 1.00 0.00 H new ATOM 172 N GLU A 13 13.197 44.760 3.262 1.00 0.00 N ATOM 173 CA GLU A 13 12.644 44.913 4.599 1.00 0.00 C ATOM 174 C GLU A 13 11.754 43.724 4.912 1.00 0.00 C ATOM 175 O GLU A 13 11.741 43.211 6.032 1.00 0.00 O ATOM 176 CB GLU A 13 11.820 46.195 4.683 1.00 0.00 C ATOM 177 CG GLU A 13 12.746 47.412 4.642 1.00 0.00 C ATOM 178 CD GLU A 13 13.647 47.418 5.874 1.00 0.00 C ATOM 179 OE1 GLU A 13 13.301 46.755 6.837 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 14.663 48.090 5.837 1.00 0.00 O ATOM 0 H GLU A 13 12.894 45.464 2.589 1.00 0.00 H new ATOM 0 HA GLU A 13 13.461 44.966 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.112 46.238 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.236 46.203 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.353 47.389 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.156 48.328 4.607 1.00 0.00 H new ATOM 187 N TRP A 14 11.015 43.290 3.904 1.00 0.00 N ATOM 188 CA TRP A 14 10.125 42.161 4.054 1.00 0.00 C ATOM 189 C TRP A 14 10.934 40.921 4.400 1.00 0.00 C ATOM 190 O TRP A 14 10.597 40.195 5.333 1.00 0.00 O ATOM 191 CB TRP A 14 9.371 41.957 2.746 1.00 0.00 C ATOM 192 CG TRP A 14 8.072 41.270 2.998 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.674 40.138 2.382 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.991 41.650 3.902 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.413 39.799 2.842 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.952 40.698 3.779 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.807 42.718 4.802 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.777 40.798 4.523 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.625 42.820 5.552 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.613 41.862 5.413 1.00 0.00 C ATOM 0 H TRP A 14 11.017 43.707 2.973 1.00 0.00 H new ATOM 0 HA TRP A 14 9.411 42.345 4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.194 42.920 2.267 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.976 41.365 2.059 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.245 39.587 1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.889 38.983 2.526 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.580 43.463 4.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.999 40.058 4.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.495 43.642 6.240 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.706 41.946 5.994 1.00 0.00 H new ATOM 211 N ASN A 15 12.017 40.697 3.661 1.00 0.00 N ATOM 212 CA ASN A 15 12.875 39.547 3.918 1.00 0.00 C ATOM 213 C ASN A 15 13.321 39.550 5.372 1.00 0.00 C ATOM 214 O ASN A 15 13.362 38.507 6.024 1.00 0.00 O ATOM 215 CB ASN A 15 14.115 39.602 3.023 1.00 0.00 C ATOM 216 CG ASN A 15 13.759 39.279 1.575 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.567 38.845 1.282 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.598 39.424 0.686 1.00 0.00 N flip ATOM 0 H ASN A 15 12.318 41.290 2.888 1.00 0.00 H new ATOM 0 HA ASN A 15 12.310 38.640 3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.564 40.594 3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.861 38.894 3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.532 39.764 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.360 39.204 -0.281 1.00 0.00 H new ATOM 225 N GLN A 16 13.635 40.736 5.872 1.00 0.00 N ATOM 226 CA GLN A 16 14.063 40.876 7.254 1.00 0.00 C ATOM 227 C GLN A 16 12.909 40.493 8.175 1.00 0.00 C ATOM 228 O GLN A 16 13.090 39.765 9.150 1.00 0.00 O ATOM 229 CB GLN A 16 14.508 42.317 7.507 1.00 0.00 C ATOM 230 CG GLN A 16 15.798 42.584 6.727 1.00 0.00 C ATOM 231 CD GLN A 16 16.022 44.083 6.568 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.890 44.626 5.388 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 16.323 44.775 7.539 1.00 0.00 N flip ATOM 0 H GLN A 16 13.602 41.609 5.345 1.00 0.00 H new ATOM 0 HA GLN A 16 14.907 40.216 7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.729 43.012 7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.672 42.479 8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.645 42.137 7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.742 42.112 5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.425 44.346 8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.471 45.778 7.425 1.00 0.00 H new ATOM 242 N LEU A 17 11.717 40.969 7.833 1.00 0.00 N ATOM 243 CA LEU A 17 10.525 40.659 8.609 1.00 0.00 C ATOM 244 C LEU A 17 10.198 39.168 8.533 1.00 0.00 C ATOM 245 O LEU A 17 9.841 38.550 9.537 1.00 0.00 O ATOM 246 CB LEU A 17 9.340 41.470 8.082 1.00 0.00 C ATOM 247 CG LEU A 17 8.071 41.082 8.846 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.347 41.095 10.349 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.963 42.088 8.531 1.00 0.00 C ATOM 0 H LEU A 17 11.552 41.570 7.025 1.00 0.00 H new ATOM 0 HA LEU A 17 10.716 40.920 9.650 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.535 42.536 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.206 41.286 7.016 1.00 0.00 H new ATOM 0 HG LEU A 17 7.761 40.082 8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.441 40.818 10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.138 40.382 10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.659 42.094 10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.058 41.814 9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.280 43.086 8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.760 42.082 7.460 1.00 0.00 H new ATOM 261 N LYS A 18 10.318 38.596 7.338 1.00 0.00 N ATOM 262 CA LYS A 18 10.026 37.177 7.155 1.00 0.00 C ATOM 263 C LYS A 18 10.971 36.325 7.997 1.00 0.00 C ATOM 264 O LYS A 18 10.547 35.369 8.647 1.00 0.00 O ATOM 265 CB LYS A 18 10.151 36.794 5.676 1.00 0.00 C ATOM 266 CG LYS A 18 9.283 37.739 4.833 1.00 0.00 C ATOM 267 CD LYS A 18 8.482 36.963 3.779 1.00 0.00 C ATOM 268 CE LYS A 18 9.256 36.953 2.464 1.00 0.00 C ATOM 269 NZ LYS A 18 8.368 36.458 1.381 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.611 39.085 6.492 1.00 0.00 H new ATOM 0 HA LYS A 18 9.003 36.991 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.192 36.857 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.835 35.761 5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.600 38.286 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.916 38.478 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.306 35.942 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.505 37.424 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.612 37.956 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.136 36.315 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.926 35.903 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.623 35.858 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.932 37.266 0.893 1.00 0.00 H new ATOM 283 N GLN A 19 12.256 36.678 7.985 1.00 0.00 N ATOM 284 CA GLN A 19 13.249 35.940 8.758 1.00 0.00 C ATOM 285 C GLN A 19 12.949 36.045 10.250 1.00 0.00 C ATOM 286 O GLN A 19 13.083 35.068 10.983 1.00 0.00 O ATOM 287 CB GLN A 19 14.652 36.498 8.486 1.00 0.00 C ATOM 288 CG GLN A 19 15.297 35.779 7.294 1.00 0.00 C ATOM 289 CD GLN A 19 14.237 35.304 6.307 1.00 0.00 C ATOM 290 OE1 GLN A 19 13.464 36.109 5.789 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.161 34.035 6.010 1.00 0.00 N ATOM 0 H GLN A 19 12.630 37.464 7.453 1.00 0.00 H new ATOM 0 HA GLN A 19 13.208 34.894 8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.591 37.567 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.276 36.377 9.372 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.992 36.451 6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.877 34.927 7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.804 33.371 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.459 33.708 5.346 1.00 0.00 H new ATOM 300 N ASP A 20 12.543 37.232 10.700 1.00 0.00 N ATOM 301 CA ASP A 20 12.237 37.423 12.113 1.00 0.00 C ATOM 302 C ASP A 20 11.111 36.491 12.535 1.00 0.00 C ATOM 303 O ASP A 20 11.184 35.853 13.582 1.00 0.00 O ATOM 304 CB ASP A 20 11.825 38.871 12.378 1.00 0.00 C ATOM 305 CG ASP A 20 13.000 39.807 12.108 1.00 0.00 C ATOM 306 OD1 ASP A 20 14.104 39.312 11.955 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.776 41.006 12.060 1.00 0.00 O ATOM 0 H ASP A 20 12.421 38.060 10.117 1.00 0.00 H new ATOM 0 HA ASP A 20 13.132 37.195 12.693 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.982 39.140 11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.493 38.980 13.410 1.00 0.00 H new ATOM 312 N PHE A 21 10.079 36.394 11.705 1.00 0.00 N ATOM 313 CA PHE A 21 8.965 35.510 12.008 1.00 0.00 C ATOM 314 C PHE A 21 9.483 34.084 12.096 1.00 0.00 C ATOM 315 O PHE A 21 9.224 33.368 13.063 1.00 0.00 O ATOM 316 CB PHE A 21 7.905 35.613 10.911 1.00 0.00 C ATOM 317 CG PHE A 21 7.072 36.863 11.105 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.549 37.930 11.885 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.813 36.952 10.500 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.766 39.076 12.054 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.032 38.101 10.669 1.00 0.00 C ATOM 322 CZ PHE A 21 5.509 39.163 11.447 1.00 0.00 C ATOM 0 H PHE A 21 9.992 36.910 10.829 1.00 0.00 H new ATOM 0 HA PHE A 21 8.513 35.798 12.957 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.385 35.635 9.932 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.263 34.732 10.932 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.520 37.865 12.354 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.443 36.132 9.902 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.133 39.896 12.654 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.062 38.169 10.200 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.906 40.049 11.578 1.00 0.00 H new ATOM 332 N ILE A 22 10.252 33.695 11.090 1.00 0.00 N ATOM 333 CA ILE A 22 10.843 32.368 11.073 1.00 0.00 C ATOM 334 C ILE A 22 11.721 32.187 12.310 1.00 0.00 C ATOM 335 O ILE A 22 11.640 31.173 13.002 1.00 0.00 O ATOM 336 CB ILE A 22 11.674 32.176 9.806 1.00 0.00 C ATOM 337 CG1 ILE A 22 10.760 32.280 8.582 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.330 30.796 9.834 1.00 0.00 C ATOM 339 CD1 ILE A 22 11.609 32.300 7.310 1.00 0.00 C ATOM 0 H ILE A 22 10.479 34.274 10.282 1.00 0.00 H new ATOM 0 HA ILE A 22 10.049 31.621 11.082 1.00 0.00 H new ATOM 0 HB ILE A 22 12.445 32.945 9.753 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.070 31.437 8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.155 33.185 8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.924 30.657 8.930 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.976 30.718 10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.559 30.027 9.883 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.958 32.374 6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.281 33.158 7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.194 31.382 7.249 1.00 0.00 H new ATOM 351 N SER A 23 12.556 33.190 12.586 1.00 0.00 N ATOM 352 CA SER A 23 13.435 33.138 13.748 1.00 0.00 C ATOM 353 C SER A 23 12.600 32.930 15.008 1.00 0.00 C ATOM 354 O SER A 23 12.938 32.113 15.864 1.00 0.00 O ATOM 355 CB SER A 23 14.243 34.434 13.866 1.00 0.00 C ATOM 356 OG SER A 23 14.975 34.645 12.664 1.00 0.00 O ATOM 0 H SER A 23 12.640 34.038 12.026 1.00 0.00 H new ATOM 0 HA SER A 23 14.130 32.306 13.630 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.576 35.276 14.051 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.925 34.375 14.714 1.00 0.00 H new ATOM 0 HG SER A 23 14.381 35.020 11.981 1.00 0.00 H new ATOM 362 N GLY A 24 11.495 33.665 15.103 1.00 0.00 N ATOM 363 CA GLY A 24 10.598 33.545 16.249 1.00 0.00 C ATOM 364 C GLY A 24 9.980 32.151 16.300 1.00 0.00 C ATOM 365 O GLY A 24 9.702 31.621 17.375 1.00 0.00 O ATOM 0 H GLY A 24 11.200 34.347 14.404 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.147 33.740 17.170 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.811 34.296 16.182 1.00 0.00 H new ATOM 369 N ILE A 25 9.779 31.564 15.123 1.00 0.00 N ATOM 370 CA ILE A 25 9.199 30.227 15.019 1.00 0.00 C ATOM 371 C ILE A 25 10.190 29.166 15.478 1.00 0.00 C ATOM 372 O ILE A 25 9.828 28.237 16.199 1.00 0.00 O ATOM 373 CB ILE A 25 8.809 29.961 13.566 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.465 30.629 13.271 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.707 28.455 13.321 1.00 0.00 C ATOM 376 CD1 ILE A 25 7.302 30.803 11.762 1.00 0.00 C ATOM 0 H ILE A 25 10.009 31.993 14.227 1.00 0.00 H new ATOM 0 HA ILE A 25 8.319 30.178 15.661 1.00 0.00 H new ATOM 0 HB ILE A 25 9.571 30.374 12.905 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.651 30.023 13.668 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.412 31.598 13.767 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.429 28.273 12.283 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.670 27.987 13.526 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.950 28.030 13.980 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.344 31.279 11.552 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.109 31.427 11.378 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.336 29.827 11.277 1.00 0.00 H new ATOM 388 N LEU A 26 11.436 29.312 15.054 1.00 0.00 N ATOM 389 CA LEU A 26 12.476 28.364 15.427 1.00 0.00 C ATOM 390 C LEU A 26 12.936 28.623 16.859 1.00 0.00 C ATOM 391 O LEU A 26 13.469 27.733 17.524 1.00 0.00 O ATOM 392 CB LEU A 26 13.655 28.484 14.452 1.00 0.00 C ATOM 393 CG LEU A 26 14.758 29.364 15.055 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.598 28.551 16.047 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.661 29.879 13.931 1.00 0.00 C ATOM 0 H LEU A 26 11.751 30.074 14.454 1.00 0.00 H new ATOM 0 HA LEU A 26 12.076 27.351 15.374 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.052 27.494 14.228 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.314 28.912 13.509 1.00 0.00 H new ATOM 0 HG LEU A 26 14.300 30.203 15.580 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.378 29.185 16.469 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.958 28.181 16.848 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.056 27.708 15.530 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.447 30.505 14.354 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.111 29.034 13.410 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.069 30.465 13.228 1.00 0.00 H new ATOM 407 N GLU A 27 12.726 29.851 17.321 1.00 0.00 N ATOM 408 CA GLU A 27 13.122 30.234 18.673 1.00 0.00 C ATOM 409 C GLU A 27 12.183 29.626 19.714 1.00 0.00 C ATOM 410 O GLU A 27 12.617 29.221 20.793 1.00 0.00 O ATOM 411 CB GLU A 27 13.099 31.759 18.802 1.00 0.00 C ATOM 412 CG GLU A 27 13.781 32.171 20.107 1.00 0.00 C ATOM 413 CD GLU A 27 12.747 32.296 21.221 1.00 0.00 C ATOM 414 OE1 GLU A 27 11.692 32.853 20.964 1.00 0.00 O ATOM 415 OE2 GLU A 27 13.022 31.829 22.314 1.00 0.00 O1- ATOM 0 H GLU A 27 12.285 30.596 16.782 1.00 0.00 H new ATOM 0 HA GLU A 27 14.129 29.858 18.853 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.609 32.214 17.953 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.071 32.120 18.787 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.535 31.433 20.381 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.298 33.121 19.972 1.00 0.00 H new ATOM 422 N ASN A 28 10.894 29.589 19.391 1.00 0.00 N ATOM 423 CA ASN A 28 9.894 29.055 20.312 1.00 0.00 C ATOM 424 C ASN A 28 9.673 27.556 20.107 1.00 0.00 C ATOM 425 O ASN A 28 10.010 27.000 19.062 1.00 0.00 O ATOM 426 CB ASN A 28 8.573 29.797 20.109 1.00 0.00 C ATOM 427 CG ASN A 28 8.057 29.554 18.695 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.572 28.691 17.985 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.070 30.275 18.238 1.00 0.00 N ATOM 0 H ASN A 28 10.518 29.921 18.503 1.00 0.00 H new ATOM 0 HA ASN A 28 10.261 29.201 21.328 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.838 29.456 20.838 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.716 30.865 20.276 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.724 30.124 17.291 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.645 30.990 18.828 1.00 0.00 H new ATOM 436 N GLU A 29 9.090 26.916 21.116 1.00 0.00 N ATOM 437 CA GLU A 29 8.808 25.486 21.052 1.00 0.00 C ATOM 438 C GLU A 29 7.816 25.184 19.937 1.00 0.00 C ATOM 439 O GLU A 29 7.834 24.100 19.354 1.00 0.00 O ATOM 440 CB GLU A 29 8.230 25.007 22.383 1.00 0.00 C ATOM 441 CG GLU A 29 8.035 23.491 22.339 1.00 0.00 C ATOM 442 CD GLU A 29 7.393 23.009 23.633 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.926 23.846 24.388 1.00 0.00 O ATOM 444 OE2 GLU A 29 7.380 21.809 23.855 1.00 0.00 O1- ATOM 0 H GLU A 29 8.804 27.364 21.986 1.00 0.00 H new ATOM 0 HA GLU A 29 9.742 24.963 20.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.900 25.274 23.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.278 25.501 22.577 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.407 23.222 21.490 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.996 22.997 22.194 1.00 0.00 H new ATOM 451 N GLN A 30 6.950 26.146 19.649 1.00 0.00 N ATOM 452 CA GLN A 30 5.954 25.965 18.605 1.00 0.00 C ATOM 453 C GLN A 30 6.652 25.583 17.304 1.00 0.00 C ATOM 454 O GLN A 30 6.008 25.295 16.296 1.00 0.00 O ATOM 455 CB GLN A 30 5.149 27.256 18.427 1.00 0.00 C ATOM 456 CG GLN A 30 4.603 27.694 19.789 1.00 0.00 C ATOM 457 CD GLN A 30 3.667 28.887 19.629 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.120 29.108 18.550 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.450 29.676 20.647 1.00 0.00 N ATOM 0 H GLN A 30 6.917 27.051 20.119 1.00 0.00 H new ATOM 0 HA GLN A 30 5.267 25.167 18.885 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.780 28.038 18.005 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.329 27.095 17.727 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.070 26.866 20.257 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.428 27.957 20.451 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.904 29.491 21.541 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.826 30.477 20.548 1.00 0.00 H new ATOM 468 N LYS A 31 7.984 25.577 17.352 1.00 0.00 N ATOM 469 CA LYS A 31 8.795 25.221 16.194 1.00 0.00 C ATOM 470 C LYS A 31 8.503 23.790 15.753 1.00 0.00 C ATOM 471 O LYS A 31 8.640 23.449 14.580 1.00 0.00 O ATOM 472 CB LYS A 31 10.279 25.338 16.545 1.00 0.00 C ATOM 473 CG LYS A 31 10.654 24.228 17.530 1.00 0.00 C ATOM 474 CD LYS A 31 12.130 24.354 17.913 1.00 0.00 C ATOM 475 CE LYS A 31 12.567 23.100 18.672 1.00 0.00 C ATOM 476 NZ LYS A 31 12.086 23.176 20.080 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.523 25.816 18.184 1.00 0.00 H new ATOM 0 HA LYS A 31 8.549 25.904 15.381 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.885 25.260 15.643 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.485 26.314 16.984 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.030 24.294 18.421 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.467 23.252 17.082 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.740 24.482 17.018 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.282 25.238 18.532 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.165 22.210 18.187 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.653 23.011 18.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.384 22.323 20.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.490 24.017 20.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.048 23.241 20.089 1.00 0.00 H new ATOM 490 N ASP A 32 8.111 22.949 16.699 1.00 0.00 N ATOM 491 CA ASP A 32 7.814 21.560 16.379 1.00 0.00 C ATOM 492 C ASP A 32 6.715 21.491 15.330 1.00 0.00 C ATOM 493 O ASP A 32 6.719 20.621 14.458 1.00 0.00 O ATOM 494 CB ASP A 32 7.355 20.813 17.634 1.00 0.00 C ATOM 495 CG ASP A 32 8.501 20.704 18.630 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.566 21.222 18.337 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 8.294 20.113 19.677 1.00 0.00 O ATOM 0 H ASP A 32 7.992 23.199 17.681 1.00 0.00 H new ATOM 0 HA ASP A 32 8.720 21.094 15.992 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.515 21.337 18.091 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.002 19.818 17.365 1.00 0.00 H new ATOM 502 N LEU A 33 5.767 22.413 15.436 1.00 0.00 N ATOM 503 CA LEU A 33 4.642 22.461 14.512 1.00 0.00 C ATOM 504 C LEU A 33 5.106 22.709 13.076 1.00 0.00 C ATOM 505 O LEU A 33 4.677 22.017 12.147 1.00 0.00 O ATOM 506 CB LEU A 33 3.676 23.567 14.950 1.00 0.00 C ATOM 507 CG LEU A 33 2.901 23.113 16.195 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.666 23.504 17.463 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.527 23.787 16.209 1.00 0.00 C ATOM 0 H LEU A 33 5.755 23.138 16.153 1.00 0.00 H new ATOM 0 HA LEU A 33 4.137 21.495 14.533 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.229 24.481 15.167 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.982 23.798 14.142 1.00 0.00 H new ATOM 0 HG LEU A 33 2.785 22.030 16.167 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.107 23.177 18.340 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.646 23.027 17.458 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.790 24.587 17.494 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.974 23.467 17.092 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.653 24.869 16.232 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.974 23.505 15.313 1.00 0.00 H new ATOM 521 N VAL A 34 5.989 23.681 12.885 1.00 0.00 N ATOM 522 CA VAL A 34 6.479 23.964 11.542 1.00 0.00 C ATOM 523 C VAL A 34 7.382 22.834 11.063 1.00 0.00 C ATOM 524 O VAL A 34 7.428 22.524 9.874 1.00 0.00 O ATOM 525 CB VAL A 34 7.224 25.300 11.497 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.551 25.196 12.250 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.500 25.660 10.039 1.00 0.00 C ATOM 0 H VAL A 34 6.373 24.273 13.622 1.00 0.00 H new ATOM 0 HA VAL A 34 5.620 24.037 10.874 1.00 0.00 H new ATOM 0 HB VAL A 34 6.612 26.069 11.969 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.069 26.154 12.209 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.359 24.931 13.290 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.172 24.428 11.789 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.031 26.611 9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.110 24.881 9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.556 25.745 9.500 1.00 0.00 H new ATOM 537 N ALA A 35 8.095 22.214 11.999 1.00 0.00 N ATOM 538 CA ALA A 35 8.984 21.114 11.654 1.00 0.00 C ATOM 539 C ALA A 35 8.183 20.008 10.979 1.00 0.00 C ATOM 540 O ALA A 35 8.597 19.461 9.959 1.00 0.00 O ATOM 541 CB ALA A 35 9.656 20.569 12.915 1.00 0.00 C ATOM 0 H ALA A 35 8.074 22.452 12.991 1.00 0.00 H new ATOM 0 HA ALA A 35 9.753 21.475 10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.319 19.746 12.647 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.234 21.361 13.391 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.894 20.210 13.607 1.00 0.00 H new ATOM 689 N ASN A 45 11.970 26.114 7.608 1.00 0.00 N ATOM 690 CA ASN A 45 10.661 26.579 8.065 1.00 0.00 C ATOM 691 C ASN A 45 9.726 26.904 6.903 1.00 0.00 C ATOM 692 O ASN A 45 9.041 27.924 6.928 1.00 0.00 O ATOM 693 CB ASN A 45 10.796 27.815 8.968 1.00 0.00 C ATOM 694 CG ASN A 45 11.707 27.518 10.155 1.00 0.00 C ATOM 695 OD1 ASN A 45 12.738 28.167 10.323 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.386 26.570 10.993 1.00 0.00 N ATOM 0 HA ASN A 45 10.226 25.758 8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.199 28.649 8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.812 28.120 9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.991 26.366 11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.530 26.033 10.852 1.00 0.00 H new ATOM 703 N GLN A 46 9.742 26.053 5.877 1.00 0.00 N ATOM 704 CA GLN A 46 8.910 26.251 4.684 1.00 0.00 C ATOM 705 C GLN A 46 9.004 27.700 4.201 1.00 0.00 C ATOM 706 O GLN A 46 8.016 28.421 4.123 1.00 0.00 O ATOM 707 CB GLN A 46 7.448 25.806 4.948 1.00 0.00 C ATOM 708 CG GLN A 46 6.668 26.805 5.814 1.00 0.00 C ATOM 709 CD GLN A 46 5.355 26.180 6.257 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.279 25.583 7.332 1.00 0.00 O ATOM 711 NE2 GLN A 46 4.307 26.277 5.489 1.00 0.00 N ATOM 0 H GLN A 46 10.324 25.216 5.846 1.00 0.00 H new ATOM 0 HA GLN A 46 9.289 25.619 3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.934 25.680 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.453 24.833 5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.260 27.087 6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.476 27.718 5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.371 26.771 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.423 25.859 5.778 1.00 0.00 H new ATOM 720 N LEU A 47 10.229 28.108 3.876 1.00 0.00 N ATOM 721 CA LEU A 47 10.483 29.468 3.404 1.00 0.00 C ATOM 722 C LEU A 47 9.589 29.838 2.223 1.00 0.00 C ATOM 723 O LEU A 47 8.965 30.897 2.220 1.00 0.00 O ATOM 724 CB LEU A 47 11.944 29.614 2.968 1.00 0.00 C ATOM 725 CG LEU A 47 12.828 29.898 4.181 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.256 29.440 3.881 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.828 31.404 4.462 1.00 0.00 C ATOM 0 H LEU A 47 11.059 27.518 3.931 1.00 0.00 H new ATOM 0 HA LEU A 47 10.263 30.138 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.276 28.702 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.036 30.423 2.244 1.00 0.00 H new ATOM 0 HG LEU A 47 12.446 29.362 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.891 29.641 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.258 28.371 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.638 29.982 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.457 31.613 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.216 31.936 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.810 31.736 4.666 1.00 0.00 H new ATOM 739 N ASP A 48 9.553 28.976 1.214 1.00 0.00 N ATOM 740 CA ASP A 48 8.758 29.252 0.023 1.00 0.00 C ATOM 741 C ASP A 48 7.277 29.401 0.355 1.00 0.00 C ATOM 742 O ASP A 48 6.648 30.383 -0.040 1.00 0.00 O ATOM 743 CB ASP A 48 8.951 28.130 -0.998 1.00 0.00 C ATOM 744 CG ASP A 48 8.272 28.498 -2.312 1.00 0.00 C ATOM 745 OD1 ASP A 48 7.732 29.589 -2.393 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.301 27.683 -3.219 1.00 0.00 O1- ATOM 0 H ASP A 48 10.058 28.090 1.195 1.00 0.00 H new ATOM 0 HA ASP A 48 9.101 30.197 -0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.014 27.958 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.534 27.200 -0.612 1.00 0.00 H new ATOM 751 N LEU A 49 6.718 28.434 1.076 1.00 0.00 N ATOM 752 CA LEU A 49 5.307 28.499 1.434 1.00 0.00 C ATOM 753 C LEU A 49 5.047 29.659 2.392 1.00 0.00 C ATOM 754 O LEU A 49 4.074 30.398 2.235 1.00 0.00 O ATOM 755 CB LEU A 49 4.872 27.190 2.097 1.00 0.00 C ATOM 756 CG LEU A 49 5.132 26.015 1.153 1.00 0.00 C ATOM 757 CD1 LEU A 49 4.705 24.716 1.836 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.319 26.196 -0.129 1.00 0.00 C ATOM 0 H LEU A 49 7.211 27.610 1.419 1.00 0.00 H new ATOM 0 HA LEU A 49 4.732 28.656 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.418 27.046 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.813 27.236 2.351 1.00 0.00 H new ATOM 0 HG LEU A 49 6.194 25.975 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.889 23.876 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.279 24.581 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.643 24.763 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.506 25.358 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.258 26.235 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.613 27.125 -0.618 1.00 0.00 H new ATOM 770 N LEU A 50 5.906 29.796 3.398 1.00 0.00 N ATOM 771 CA LEU A 50 5.738 30.853 4.390 1.00 0.00 C ATOM 772 C LEU A 50 5.760 32.220 3.713 1.00 0.00 C ATOM 773 O LEU A 50 4.983 33.105 4.067 1.00 0.00 O ATOM 774 CB LEU A 50 6.855 30.774 5.441 1.00 0.00 C ATOM 775 CG LEU A 50 6.383 31.413 6.751 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.471 31.255 7.818 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.097 32.899 6.530 1.00 0.00 C ATOM 0 H LEU A 50 6.717 29.196 3.547 1.00 0.00 H new ATOM 0 HA LEU A 50 4.775 30.718 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.132 29.734 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.746 31.285 5.077 1.00 0.00 H new ATOM 0 HG LEU A 50 5.471 30.918 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.135 31.710 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.669 30.196 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.384 31.747 7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.762 33.348 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.005 33.398 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.320 33.011 5.774 1.00 0.00 H new ATOM 789 N HIS A 51 6.646 32.385 2.735 1.00 0.00 N ATOM 790 CA HIS A 51 6.749 33.646 2.015 1.00 0.00 C ATOM 791 C HIS A 51 5.438 33.983 1.312 1.00 0.00 C ATOM 792 O HIS A 51 4.947 35.107 1.414 1.00 0.00 O ATOM 793 CB HIS A 51 7.885 33.562 0.995 1.00 0.00 C ATOM 794 CG HIS A 51 9.194 33.597 1.734 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.271 33.968 3.068 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.475 33.287 1.358 1.00 0.00 C ATOM 797 CE1 HIS A 51 10.559 33.869 3.443 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.336 33.457 2.438 1.00 0.00 N ATOM 0 H HIS A 51 7.299 31.665 2.426 1.00 0.00 H new ATOM 0 HA HIS A 51 6.961 34.439 2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.804 32.644 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.825 34.393 0.292 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.771 32.960 0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.920 34.095 4.435 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.344 33.301 2.458 1.00 0.00 H new ATOM 807 N LYS A 52 4.866 33.008 0.605 1.00 0.00 N ATOM 808 CA LYS A 52 3.609 33.242 -0.095 1.00 0.00 C ATOM 809 C LYS A 52 2.510 33.601 0.904 1.00 0.00 C ATOM 810 O LYS A 52 1.767 34.560 0.702 1.00 0.00 O ATOM 811 CB LYS A 52 3.202 31.994 -0.886 1.00 0.00 C ATOM 812 CG LYS A 52 4.302 31.626 -1.891 1.00 0.00 C ATOM 813 CD LYS A 52 4.440 32.733 -2.941 1.00 0.00 C ATOM 814 CE LYS A 52 5.229 32.204 -4.145 1.00 0.00 C ATOM 815 NZ LYS A 52 6.188 31.152 -3.698 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.246 32.067 0.504 1.00 0.00 H new ATOM 0 HA LYS A 52 3.746 34.072 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.028 31.162 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.265 32.176 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.250 31.486 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.062 30.680 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.454 33.071 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.949 33.595 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.545 31.794 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.768 33.020 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.926 31.026 -4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.627 31.441 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.680 30.255 -3.562 1.00 0.00 H new ATOM 829 N TRP A 53 2.422 32.828 1.983 1.00 0.00 N ATOM 830 CA TRP A 53 1.418 33.069 3.017 1.00 0.00 C ATOM 831 C TRP A 53 1.572 34.474 3.590 1.00 0.00 C ATOM 832 O TRP A 53 0.635 35.271 3.579 1.00 0.00 O ATOM 833 CB TRP A 53 1.617 32.040 4.132 1.00 0.00 C ATOM 834 CG TRP A 53 0.459 32.031 5.081 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.607 31.205 4.993 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.251 32.841 6.275 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.453 31.450 6.058 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.969 32.450 6.877 1.00 0.00 C ATOM 839 CE3 TRP A 53 0.995 33.863 6.890 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.432 33.051 8.048 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.532 34.469 8.069 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.679 34.063 8.647 1.00 0.00 C ATOM 0 H TRP A 53 3.032 32.031 2.165 1.00 0.00 H new ATOM 0 HA TRP A 53 0.421 32.978 2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.740 31.048 3.696 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.534 32.265 4.677 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.771 30.472 4.217 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.329 30.952 6.219 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.929 34.184 6.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.366 32.736 8.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.112 35.253 8.533 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.029 34.532 9.554 1.00 0.00 H new ATOM 853 N LEU A 54 2.762 34.756 4.103 1.00 0.00 N ATOM 854 CA LEU A 54 3.032 36.056 4.700 1.00 0.00 C ATOM 855 C LEU A 54 2.728 37.168 3.701 1.00 0.00 C ATOM 856 O LEU A 54 2.044 38.138 4.024 1.00 0.00 O ATOM 857 CB LEU A 54 4.503 36.140 5.112 1.00 0.00 C ATOM 858 CG LEU A 54 4.715 37.349 6.024 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.220 37.023 7.434 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.204 37.687 6.079 1.00 0.00 C ATOM 0 H LEU A 54 3.549 34.108 4.118 1.00 0.00 H new ATOM 0 HA LEU A 54 2.396 36.176 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.799 35.227 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.134 36.225 4.227 1.00 0.00 H new ATOM 0 HG LEU A 54 4.158 38.200 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.372 37.886 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.158 36.778 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.776 36.172 7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.358 38.549 6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.757 36.833 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.561 37.920 5.076 1.00 0.00 H new ATOM 872 N ASP A 55 3.248 37.018 2.488 1.00 0.00 N ATOM 873 CA ASP A 55 3.040 38.012 1.441 1.00 0.00 C ATOM 874 C ASP A 55 1.556 38.235 1.157 1.00 0.00 C ATOM 875 O ASP A 55 1.108 39.373 1.024 1.00 0.00 O ATOM 876 CB ASP A 55 3.733 37.551 0.159 1.00 0.00 C ATOM 877 CG ASP A 55 5.245 37.628 0.322 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.689 38.314 1.227 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.939 36.999 -0.459 1.00 0.00 O1- ATOM 0 H ASP A 55 3.816 36.219 2.205 1.00 0.00 H new ATOM 0 HA ASP A 55 3.463 38.955 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.437 36.529 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.418 38.174 -0.678 1.00 0.00 H new ATOM 884 N ARG A 56 0.797 37.149 1.057 1.00 0.00 N ATOM 885 CA ARG A 56 -0.633 37.249 0.777 1.00 0.00 C ATOM 886 C ARG A 56 -1.338 38.047 1.867 1.00 0.00 C ATOM 887 O ARG A 56 -2.359 38.689 1.623 1.00 0.00 O ATOM 888 CB ARG A 56 -1.249 35.849 0.683 1.00 0.00 C ATOM 889 CG ARG A 56 -2.697 35.952 0.196 1.00 0.00 C ATOM 890 CD ARG A 56 -3.348 34.571 0.273 1.00 0.00 C ATOM 891 NE ARG A 56 -4.697 34.601 -0.280 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.643 33.796 0.196 1.00 0.00 C ATOM 893 NH1 ARG A 56 -5.370 32.989 1.186 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.841 33.809 -0.321 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.143 36.196 1.164 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.762 37.765 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.668 35.231 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.217 35.361 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.250 36.664 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.724 36.324 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.742 33.848 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.383 34.238 1.310 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.917 35.246 -1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.434 32.978 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.093 32.370 1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.056 34.439 -1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.562 33.190 0.048 1.00 0.00 H new ATOM 908 N HIS A 57 -0.788 37.989 3.074 1.00 0.00 N ATOM 909 CA HIS A 57 -1.370 38.699 4.206 1.00 0.00 C ATOM 910 C HIS A 57 -0.449 39.816 4.698 1.00 0.00 C ATOM 911 O HIS A 57 -0.573 40.265 5.833 1.00 0.00 O ATOM 912 CB HIS A 57 -1.638 37.715 5.348 1.00 0.00 C ATOM 913 CG HIS A 57 -2.482 36.582 4.836 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.752 36.785 4.318 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.253 35.230 4.744 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.232 35.588 3.937 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.359 34.606 4.175 1.00 0.00 N ATOM 0 H HIS A 57 0.056 37.460 3.293 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.306 39.151 3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.697 37.333 5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.147 38.221 6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.352 34.728 5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.205 35.439 3.493 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.477 33.612 3.981 1.00 0.00 H new ATOM 926 N ARG A 58 0.474 40.257 3.847 1.00 0.00 N ATOM 927 CA ARG A 58 1.410 41.317 4.218 1.00 0.00 C ATOM 928 C ARG A 58 0.690 42.569 4.725 1.00 0.00 C ATOM 929 O ARG A 58 1.179 43.260 5.620 1.00 0.00 O ATOM 930 CB ARG A 58 2.267 41.689 3.012 1.00 0.00 C ATOM 931 CG ARG A 58 1.364 42.152 1.869 1.00 0.00 C ATOM 932 CD ARG A 58 2.192 42.261 0.592 1.00 0.00 C ATOM 933 NE ARG A 58 3.263 43.240 0.772 1.00 0.00 N ATOM 934 CZ ARG A 58 3.979 43.677 -0.260 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.784 43.180 -1.450 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.886 44.598 -0.079 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.594 39.899 2.899 1.00 0.00 H new ATOM 0 HA ARG A 58 2.033 40.935 5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.967 42.480 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.861 40.831 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.545 41.447 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.916 43.116 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.615 41.289 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.554 42.557 -0.241 1.00 0.00 H new ATOM 0 HE ARG A 58 3.465 43.595 1.707 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.081 42.454 -1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.334 43.517 -2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.045 44.981 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.436 44.934 -0.869 1.00 0.00 H new ATOM 950 N ASP A 59 -0.462 42.856 4.139 1.00 0.00 N ATOM 951 CA ASP A 59 -1.238 44.033 4.523 1.00 0.00 C ATOM 952 C ASP A 59 -1.601 44.011 6.008 1.00 0.00 C ATOM 953 O ASP A 59 -1.726 45.061 6.636 1.00 0.00 O ATOM 954 CB ASP A 59 -2.513 44.121 3.684 1.00 0.00 C ATOM 955 CG ASP A 59 -2.165 44.519 2.253 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.323 45.388 2.092 1.00 0.00 O ATOM 957 OD2 ASP A 59 -2.742 43.950 1.342 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.882 42.295 3.398 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.617 44.910 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.029 43.161 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.195 44.852 4.118 1.00 0.00 H new ATOM 962 N MET A 60 -1.792 42.817 6.554 1.00 0.00 N ATOM 963 CA MET A 60 -2.169 42.682 7.958 1.00 0.00 C ATOM 964 C MET A 60 -1.128 43.304 8.894 1.00 0.00 C ATOM 965 O MET A 60 -1.465 43.760 9.985 1.00 0.00 O ATOM 966 CB MET A 60 -2.337 41.208 8.310 1.00 0.00 C ATOM 967 CG MET A 60 -0.969 40.604 8.632 1.00 0.00 C ATOM 968 SD MET A 60 -1.105 38.800 8.705 1.00 0.00 S ATOM 969 CE MET A 60 0.653 38.437 8.495 1.00 0.00 C ATOM 0 H MET A 60 -1.694 41.934 6.053 1.00 0.00 H new ATOM 0 HA MET A 60 -3.110 43.215 8.094 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.005 41.101 9.165 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.796 40.674 7.478 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.244 40.894 7.871 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.604 40.990 9.584 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.840 37.391 8.737 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.943 38.628 7.462 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.238 39.073 9.159 1.00 0.00 H new ATOM 979 N CYS A 61 0.134 43.316 8.475 1.00 0.00 N ATOM 980 CA CYS A 61 1.194 43.880 9.310 1.00 0.00 C ATOM 981 C CYS A 61 0.963 45.372 9.525 1.00 0.00 C ATOM 982 O CYS A 61 1.356 45.934 10.546 1.00 0.00 O ATOM 983 CB CYS A 61 2.561 43.658 8.660 1.00 0.00 C ATOM 984 SG CYS A 61 2.827 44.901 7.372 1.00 0.00 S ATOM 0 H CYS A 61 0.447 42.948 7.576 1.00 0.00 H new ATOM 0 HA CYS A 61 1.174 43.374 10.275 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.348 43.724 9.412 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.613 42.657 8.231 1.00 0.00 H new ATOM 0 HG CYS A 61 2.188 44.553 6.295 1.00 0.00 H new ATOM 990 N GLU A 62 0.318 46.002 8.554 1.00 0.00 N ATOM 991 CA GLU A 62 0.026 47.429 8.626 1.00 0.00 C ATOM 992 C GLU A 62 -1.105 47.708 9.619 1.00 0.00 C ATOM 993 O GLU A 62 -1.361 48.858 9.969 1.00 0.00 O ATOM 994 CB GLU A 62 -0.360 47.950 7.240 1.00 0.00 C ATOM 995 CG GLU A 62 0.842 47.828 6.301 1.00 0.00 C ATOM 996 CD GLU A 62 0.521 48.460 4.950 1.00 0.00 C ATOM 997 OE1 GLU A 62 -0.598 48.917 4.781 1.00 0.00 O ATOM 998 OE2 GLU A 62 1.398 48.477 4.102 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.015 45.547 7.704 1.00 0.00 H new ATOM 0 HA GLU A 62 0.921 47.945 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.202 47.381 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.680 48.990 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.709 48.318 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.103 46.778 6.167 1.00 0.00 H new ATOM 1005 N LYS A 63 -1.798 46.656 10.047 1.00 0.00 N ATOM 1006 CA LYS A 63 -2.917 46.815 10.977 1.00 0.00 C ATOM 1007 C LYS A 63 -2.459 46.956 12.430 1.00 0.00 C ATOM 1008 O LYS A 63 -2.794 47.931 13.100 1.00 0.00 O ATOM 1009 CB LYS A 63 -3.855 45.614 10.882 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.561 45.610 9.530 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.599 44.489 9.516 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.209 44.372 8.119 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.823 43.024 7.965 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.609 45.693 9.769 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.430 47.732 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.291 44.690 11.010 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.590 45.652 11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.043 46.572 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.838 45.464 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.134 43.545 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.380 44.693 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.961 45.147 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.442 44.524 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.240 42.939 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.093 42.294 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.566 42.897 8.682 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.700 45.977 12.913 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.224 46.013 14.294 1.00 0.00 C ATOM 1029 C TRP A 64 0.074 46.802 14.418 1.00 0.00 C ATOM 1030 O TRP A 64 0.341 47.408 15.455 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.998 44.595 14.817 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.226 43.613 13.723 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.476 43.513 12.603 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.251 42.589 13.628 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.973 42.480 11.828 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.068 41.881 12.417 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.312 42.207 14.467 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.908 40.830 12.054 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.160 41.149 14.103 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.957 40.462 12.899 1.00 0.00 C ATOM 0 H TRP A 64 -1.404 45.160 12.379 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.992 46.508 14.888 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.017 44.497 15.201 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.674 44.392 15.648 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.371 44.136 12.354 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.578 42.196 10.931 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.476 42.731 15.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.749 40.303 11.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.973 40.863 14.754 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.612 39.648 12.625 1.00 0.00 H new ATOM 1051 N LYS A 65 0.886 46.779 13.365 1.00 0.00 N ATOM 1052 CA LYS A 65 2.158 47.486 13.390 1.00 0.00 C ATOM 1053 C LYS A 65 3.066 46.898 14.471 1.00 0.00 C ATOM 1054 O LYS A 65 4.256 47.210 14.531 1.00 0.00 O ATOM 1055 CB LYS A 65 1.921 48.974 13.680 1.00 0.00 C ATOM 1056 CG LYS A 65 0.955 49.556 12.646 1.00 0.00 C ATOM 1057 CD LYS A 65 1.671 49.706 11.303 1.00 0.00 C ATOM 1058 CE LYS A 65 0.804 50.541 10.359 1.00 0.00 C ATOM 1059 NZ LYS A 65 1.324 51.936 10.302 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.688 46.285 12.495 1.00 0.00 H new ATOM 0 HA LYS A 65 2.639 47.376 12.418 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.513 49.098 14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.867 49.515 13.652 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.088 48.905 12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.586 50.525 12.983 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.639 50.185 11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.862 48.725 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.807 50.101 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.230 50.542 10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.733 52.501 9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.299 52.355 11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.304 51.927 9.953 1.00 0.00 H new ATOM 1073 N SER A 66 2.491 46.053 15.330 1.00 0.00 N ATOM 1074 CA SER A 66 3.254 45.434 16.416 1.00 0.00 C ATOM 1075 C SER A 66 3.748 44.038 16.033 1.00 0.00 C ATOM 1076 O SER A 66 2.985 43.202 15.546 1.00 0.00 O ATOM 1077 CB SER A 66 2.381 45.344 17.665 1.00 0.00 C ATOM 1078 OG SER A 66 1.082 44.913 17.289 1.00 0.00 O ATOM 0 H SER A 66 1.508 45.783 15.296 1.00 0.00 H new ATOM 0 HA SER A 66 4.127 46.056 16.613 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.817 44.646 18.380 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.328 46.315 18.158 1.00 0.00 H new ATOM 0 HG SER A 66 0.442 45.149 17.993 1.00 0.00 H new ATOM 1084 N LYS A 67 5.034 43.800 16.264 1.00 0.00 N ATOM 1085 CA LYS A 67 5.651 42.516 15.942 1.00 0.00 C ATOM 1086 C LYS A 67 5.112 41.355 16.788 1.00 0.00 C ATOM 1087 O LYS A 67 4.705 40.329 16.244 1.00 0.00 O ATOM 1088 CB LYS A 67 7.165 42.623 16.137 1.00 0.00 C ATOM 1089 CG LYS A 67 7.816 41.255 15.932 1.00 0.00 C ATOM 1090 CD LYS A 67 9.313 41.355 16.234 1.00 0.00 C ATOM 1091 CE LYS A 67 9.967 39.980 16.072 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.120 39.870 17.010 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.673 44.481 16.674 1.00 0.00 H new ATOM 0 HA LYS A 67 5.402 42.294 14.904 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.581 43.342 15.432 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.386 42.994 17.138 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.350 40.517 16.585 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.662 40.916 14.907 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.782 42.073 15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.465 41.723 17.249 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.241 39.193 16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.305 39.844 15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.567 38.937 16.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.815 40.613 16.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.784 39.983 17.988 1.00 0.00 H new ATOM 1106 N GLU A 68 5.146 41.496 18.113 1.00 0.00 N ATOM 1107 CA GLU A 68 4.692 40.413 18.990 1.00 0.00 C ATOM 1108 C GLU A 68 3.222 40.068 18.761 1.00 0.00 C ATOM 1109 O GLU A 68 2.838 38.894 18.799 1.00 0.00 O ATOM 1110 CB GLU A 68 4.902 40.795 20.459 1.00 0.00 C ATOM 1111 CG GLU A 68 4.500 39.616 21.347 1.00 0.00 C ATOM 1112 CD GLU A 68 4.557 40.017 22.817 1.00 0.00 C ATOM 1113 OE1 GLU A 68 5.178 41.023 23.114 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 3.982 39.305 23.626 1.00 0.00 O ATOM 0 H GLU A 68 5.476 42.331 18.597 1.00 0.00 H new ATOM 0 HA GLU A 68 5.287 39.533 18.747 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.945 41.058 20.633 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.306 41.673 20.708 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.493 39.287 21.092 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.167 38.773 21.167 1.00 0.00 H new ATOM 1121 N ASP A 69 2.399 41.079 18.519 1.00 0.00 N ATOM 1122 CA ASP A 69 0.980 40.827 18.288 1.00 0.00 C ATOM 1123 C ASP A 69 0.787 39.991 17.034 1.00 0.00 C ATOM 1124 O ASP A 69 -0.004 39.048 17.016 1.00 0.00 O ATOM 1125 CB ASP A 69 0.211 42.137 18.140 1.00 0.00 C ATOM 1126 CG ASP A 69 0.117 42.845 19.486 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.901 42.517 20.362 1.00 0.00 O ATOM 1128 OD2 ASP A 69 -0.750 43.691 19.628 1.00 0.00 O1- ATOM 0 H ASP A 69 2.678 42.059 18.478 1.00 0.00 H new ATOM 0 HA ASP A 69 0.595 40.284 19.151 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.710 42.781 17.416 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.789 41.939 17.754 1.00 0.00 H new ATOM 1133 N ILE A 70 1.508 40.351 15.981 1.00 0.00 N ATOM 1134 CA ILE A 70 1.402 39.630 14.722 1.00 0.00 C ATOM 1135 C ILE A 70 1.742 38.154 14.902 1.00 0.00 C ATOM 1136 O ILE A 70 1.025 37.284 14.407 1.00 0.00 O ATOM 1137 CB ILE A 70 2.332 40.265 13.692 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.841 41.681 13.400 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.303 39.447 12.403 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.955 42.507 12.751 1.00 0.00 C ATOM 0 H ILE A 70 2.166 41.130 15.973 1.00 0.00 H new ATOM 0 HA ILE A 70 0.372 39.694 14.371 1.00 0.00 H new ATOM 0 HB ILE A 70 3.351 40.291 14.079 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.975 41.644 12.739 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.517 42.159 14.325 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.968 39.902 11.668 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.634 38.429 12.610 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.287 39.425 12.009 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.590 43.514 12.549 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.809 42.559 13.426 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.259 42.037 11.816 1.00 0.00 H new ATOM 1152 N LEU A 71 2.829 37.875 15.614 1.00 0.00 N ATOM 1153 CA LEU A 71 3.237 36.495 15.843 1.00 0.00 C ATOM 1154 C LEU A 71 2.109 35.700 16.484 1.00 0.00 C ATOM 1155 O LEU A 71 1.887 34.537 16.148 1.00 0.00 O ATOM 1156 CB LEU A 71 4.459 36.451 16.759 1.00 0.00 C ATOM 1157 CG LEU A 71 5.638 37.155 16.089 1.00 0.00 C ATOM 1158 CD1 LEU A 71 6.885 37.003 16.963 1.00 0.00 C ATOM 1159 CD2 LEU A 71 5.898 36.521 14.721 1.00 0.00 C ATOM 0 H LEU A 71 3.436 38.577 16.037 1.00 0.00 H new ATOM 0 HA LEU A 71 3.484 36.053 14.878 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.229 36.933 17.709 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.721 35.416 16.981 1.00 0.00 H new ATOM 0 HG LEU A 71 5.407 38.213 15.964 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.727 37.505 16.486 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.702 37.451 17.940 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.116 35.945 17.087 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.739 37.022 14.242 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.130 35.464 14.848 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.010 36.625 14.097 1.00 0.00 H new ATOM 1171 N HIS A 72 1.404 36.334 17.409 1.00 0.00 N ATOM 1172 CA HIS A 72 0.299 35.671 18.090 1.00 0.00 C ATOM 1173 C HIS A 72 -0.771 35.239 17.097 1.00 0.00 C ATOM 1174 O HIS A 72 -1.261 34.108 17.143 1.00 0.00 O ATOM 1175 CB HIS A 72 -0.332 36.611 19.114 1.00 0.00 C ATOM 1176 CG HIS A 72 -1.495 35.912 19.753 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -2.771 35.952 19.209 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.589 35.130 20.874 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -3.568 35.210 19.999 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.899 34.686 21.028 1.00 0.00 N ATOM 0 H HIS A 72 1.573 37.296 17.704 1.00 0.00 H new ATOM 0 HA HIS A 72 0.700 34.790 18.592 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.401 36.894 19.870 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.662 37.530 18.630 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.770 34.894 21.538 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.622 35.057 19.822 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.268 34.089 21.768 1.00 0.00 H new ATOM 1189 N LYS A 73 -1.128 36.150 16.203 1.00 0.00 N ATOM 1190 CA LYS A 73 -2.145 35.862 15.200 1.00 0.00 C ATOM 1191 C LYS A 73 -1.703 34.687 14.335 1.00 0.00 C ATOM 1192 O LYS A 73 -2.468 33.754 14.092 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.363 37.096 14.323 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.633 38.319 15.208 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.903 38.107 16.038 1.00 0.00 C ATOM 1196 CE LYS A 73 -5.054 37.668 15.127 1.00 0.00 C ATOM 1197 NZ LYS A 73 -6.354 38.057 15.744 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.732 37.089 16.151 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.079 35.604 15.700 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.485 37.272 13.701 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.203 36.931 13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.784 38.492 15.869 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.741 39.208 14.587 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.726 37.352 16.804 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.168 39.029 16.555 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.952 38.132 14.146 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.020 36.589 14.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.135 37.759 15.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.451 37.595 16.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.385 39.089 15.867 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.464 34.754 13.864 1.00 0.00 N ATOM 1212 CA LEU A 74 0.077 33.699 13.014 1.00 0.00 C ATOM 1213 C LEU A 74 0.027 32.348 13.714 1.00 0.00 C ATOM 1214 O LEU A 74 -0.373 31.357 13.117 1.00 0.00 O ATOM 1215 CB LEU A 74 1.525 34.004 12.627 1.00 0.00 C ATOM 1216 CG LEU A 74 1.571 34.986 11.452 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.173 36.385 11.915 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.996 35.035 10.899 1.00 0.00 C ATOM 0 H LEU A 74 0.181 35.521 14.054 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.540 33.659 12.117 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.055 34.425 13.481 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.038 33.081 12.357 1.00 0.00 H new ATOM 0 HG LEU A 74 0.875 34.652 10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.210 37.072 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.161 36.360 12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.864 36.723 12.688 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.038 35.732 10.062 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.679 35.366 11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.289 34.042 10.559 1.00 0.00 H new ATOM 1230 N ASN A 75 0.436 32.309 14.977 1.00 0.00 N ATOM 1231 CA ASN A 75 0.430 31.052 15.716 1.00 0.00 C ATOM 1232 C ASN A 75 -0.950 30.404 15.666 1.00 0.00 C ATOM 1233 O ASN A 75 -1.071 29.201 15.434 1.00 0.00 O ATOM 1234 CB ASN A 75 0.811 31.297 17.174 1.00 0.00 C ATOM 1235 CG ASN A 75 2.248 31.797 17.272 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.040 31.602 16.349 1.00 0.00 O ATOM 1237 ND2 ASN A 75 2.626 32.441 18.339 1.00 0.00 N ATOM 0 H ASN A 75 0.770 33.117 15.503 1.00 0.00 H new ATOM 0 HA ASN A 75 1.157 30.385 15.252 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.134 32.029 17.615 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.700 30.375 17.745 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.583 32.787 18.414 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.965 32.599 19.100 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.987 31.202 15.890 1.00 0.00 N ATOM 1245 CA GLU A 76 -3.346 30.674 15.873 1.00 0.00 C ATOM 1246 C GLU A 76 -3.777 30.314 14.449 1.00 0.00 C ATOM 1247 O GLU A 76 -4.413 29.282 14.236 1.00 0.00 O ATOM 1248 CB GLU A 76 -4.317 31.689 16.477 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.964 31.920 17.952 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.177 30.640 18.758 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.807 29.732 18.238 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -3.707 30.587 19.882 1.00 0.00 O ATOM 0 H GLU A 76 -1.916 32.201 16.083 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.364 29.765 16.475 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.265 32.629 15.928 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.341 31.325 16.390 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.926 32.243 18.038 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.582 32.721 18.359 1.00 0.00 H new ATOM 1259 N GLN A 77 -3.417 31.152 13.474 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.771 30.869 12.085 1.00 0.00 C ATOM 1261 C GLN A 77 -2.950 29.690 11.581 1.00 0.00 C ATOM 1262 O GLN A 77 -3.433 28.861 10.812 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.515 32.084 11.190 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.437 33.241 11.587 1.00 0.00 C ATOM 1265 CD GLN A 77 -4.205 34.425 10.650 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -3.179 34.489 9.975 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.103 35.368 10.559 1.00 0.00 N ATOM 0 H GLN A 77 -2.891 32.014 13.617 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.834 30.630 12.046 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.474 32.394 11.276 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.683 31.817 10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.478 32.923 11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.243 33.537 12.618 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.955 35.317 11.118 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.953 36.156 9.929 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.702 29.620 12.028 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.815 28.533 11.628 1.00 0.00 C ATOM 1278 C TRP A 78 -1.507 27.193 11.855 1.00 0.00 C ATOM 1279 O TRP A 78 -1.282 26.236 11.119 1.00 0.00 O ATOM 1280 CB TRP A 78 0.481 28.580 12.443 1.00 0.00 C ATOM 1281 CG TRP A 78 1.578 27.867 11.714 1.00 0.00 C ATOM 1282 CD1 TRP A 78 1.686 26.524 11.573 1.00 0.00 C ATOM 1283 CD2 TRP A 78 2.731 28.443 11.037 1.00 0.00 C ATOM 1284 NE1 TRP A 78 2.836 26.244 10.854 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.512 27.395 10.502 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.170 29.767 10.840 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 4.690 27.647 9.795 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.353 30.025 10.129 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.114 28.968 9.609 1.00 0.00 C ATOM 0 H TRP A 78 -1.283 30.298 12.664 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.576 28.647 10.571 1.00 0.00 H new ATOM 0 HB2 TRP A 78 0.768 29.616 12.623 1.00 0.00 H new ATOM 0 HB3 TRP A 78 0.323 28.119 13.418 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.990 25.793 11.958 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.146 25.302 10.614 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.593 30.589 11.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.270 26.828 9.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.679 31.044 9.982 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.025 29.173 9.066 1.00 0.00 H new ATOM 1300 N ASN A 79 -2.363 27.134 12.873 1.00 0.00 N ATOM 1301 CA ASN A 79 -3.090 25.903 13.170 1.00 0.00 C ATOM 1302 C ASN A 79 -4.141 25.650 12.100 1.00 0.00 C ATOM 1303 O ASN A 79 -4.733 24.572 12.033 1.00 0.00 O ATOM 1304 CB ASN A 79 -3.763 25.991 14.541 1.00 0.00 C ATOM 1305 CG ASN A 79 -2.728 25.820 15.646 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -1.683 25.206 15.430 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -2.959 26.328 16.824 1.00 0.00 N ATOM 0 H ASN A 79 -2.568 27.913 13.498 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.378 25.078 13.182 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.264 26.953 14.647 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.530 25.221 14.628 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.273 26.217 17.571 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.826 26.836 16.999 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.356 26.652 11.259 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.326 26.538 10.180 1.00 0.00 C ATOM 1316 C LYS A 80 -4.682 25.864 8.974 1.00 0.00 C ATOM 1317 O LYS A 80 -5.365 25.456 8.035 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.836 27.929 9.790 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.975 27.794 8.779 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.407 29.180 8.294 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.210 29.879 9.392 1.00 0.00 C ATOM 1322 NZ LYS A 80 -7.478 31.093 9.849 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.874 27.550 11.303 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.167 25.933 10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.184 28.461 10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.025 28.518 9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.652 27.187 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.820 27.279 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.531 29.775 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.010 29.089 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.195 30.156 9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.368 29.200 10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.025 31.568 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.548 30.817 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.350 31.743 9.048 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.360 25.740 9.012 1.00 0.00 N ATOM 1337 CA ASP A 81 -2.632 25.110 7.924 1.00 0.00 C ATOM 1338 C ASP A 81 -2.385 23.637 8.232 1.00 0.00 C ATOM 1339 O ASP A 81 -2.710 23.221 9.333 1.00 0.00 O ATOM 1340 CB ASP A 81 -1.299 25.826 7.720 1.00 0.00 C ATOM 1341 CG ASP A 81 -0.397 25.598 8.926 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -0.664 24.671 9.673 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 0.547 26.353 9.086 1.00 0.00 O ATOM 1344 OXT ASP A 81 -1.876 22.948 7.365 1.00 0.00 O ATOM 0 H ASP A 81 -2.776 26.067 9.782 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.227 25.181 7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.813 25.457 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.468 26.893 7.578 1.00 0.00 H new