USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 582 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 23 MET CE :methyl -133:sc= -0.428 (180deg=-0.0971) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= -0.0288 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.011) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 21 ASN : amide:sc= 0.53 K(o=0.53,f=-0.0062) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.373 USER MOD Single : A 46 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-4.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.84) USER MOD Single : A 57 SER OG : rot 180:sc= -1.06 USER MOD Single : A 59 ASN : amide:sc= -2.36 K(o=-2.4,f=-4.6!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.17 K(o=-1.2,f=-6.1!) USER MOD Single : A 68 HIS : no HE2:sc= -0.642 K(o=-0.64,f=-4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0582 K(o=-0.058,f=-1.8!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.126 -3.746 -10.118 1.00 0.00 N ATOM 60 CA GLY A 7 -5.556 -2.635 -9.290 1.00 0.00 C ATOM 61 C GLY A 7 -4.406 -1.734 -8.886 1.00 0.00 C ATOM 62 O GLY A 7 -3.690 -2.022 -7.926 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.300 -2.049 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.043 -3.021 -8.395 1.00 0.00 H new ATOM 66 N VAL A 8 -4.227 -0.640 -9.619 1.00 0.00 N ATOM 67 CA VAL A 8 -3.155 0.306 -9.332 1.00 0.00 C ATOM 68 C VAL A 8 -3.705 1.590 -8.721 1.00 0.00 C ATOM 69 O VAL A 8 -4.480 2.309 -9.352 1.00 0.00 O ATOM 70 CB VAL A 8 -2.359 0.656 -10.603 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.279 1.680 -10.293 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.756 -0.600 -11.215 1.00 0.00 C ATOM 0 H VAL A 8 -4.811 -0.387 -10.416 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.489 -0.178 -8.617 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.042 1.095 -11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.728 1.914 -11.204 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.740 2.588 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.594 1.273 -9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.197 -0.335 -12.112 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.086 -1.070 -10.495 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.553 -1.296 -11.476 1.00 0.00 H new ATOM 82 N VAL A 9 -3.298 1.873 -7.487 1.00 0.00 N ATOM 83 CA VAL A 9 -3.748 3.072 -6.790 1.00 0.00 C ATOM 84 C VAL A 9 -2.621 4.090 -6.664 1.00 0.00 C ATOM 85 O VAL A 9 -1.508 3.751 -6.263 1.00 0.00 O ATOM 86 CB VAL A 9 -4.283 2.737 -5.385 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.720 4.003 -4.664 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.430 1.742 -5.475 1.00 0.00 C ATOM 0 H VAL A 9 -2.658 1.288 -6.950 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.555 3.500 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.479 2.279 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.095 3.746 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.870 4.678 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.509 4.493 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.796 1.517 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.238 2.171 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.080 0.825 -5.948 1.00 0.00 H new ATOM 98 N GLU A 10 -2.917 5.340 -7.008 1.00 0.00 N ATOM 99 CA GLU A 10 -1.927 6.408 -6.932 1.00 0.00 C ATOM 100 C GLU A 10 -2.382 7.504 -5.973 1.00 0.00 C ATOM 101 O GLU A 10 -3.453 8.088 -6.142 1.00 0.00 O ATOM 102 CB GLU A 10 -1.677 7.001 -8.321 1.00 0.00 C ATOM 103 CG GLU A 10 -0.318 7.664 -8.464 1.00 0.00 C ATOM 104 CD GLU A 10 -0.345 9.135 -8.098 1.00 0.00 C ATOM 105 OE1 GLU A 10 -0.309 9.446 -6.888 1.00 0.00 O ATOM 106 OE2 GLU A 10 -0.404 9.976 -9.019 1.00 0.00 O ATOM 0 H GLU A 10 -3.834 5.637 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.998 5.982 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.766 6.210 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.454 7.734 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.402 7.149 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.029 7.555 -9.492 1.00 0.00 H new ATOM 113 N LEU A 11 -1.560 7.778 -4.966 1.00 0.00 N ATOM 114 CA LEU A 11 -1.876 8.805 -3.978 1.00 0.00 C ATOM 115 C LEU A 11 -0.812 9.897 -3.968 1.00 0.00 C ATOM 116 O LEU A 11 0.346 9.673 -4.321 1.00 0.00 O ATOM 117 CB LEU A 11 -1.997 8.181 -2.587 1.00 0.00 C ATOM 118 CG LEU A 11 -3.151 7.197 -2.390 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.844 6.235 -1.252 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.449 7.944 -2.124 1.00 0.00 C ATOM 0 H LEU A 11 -0.670 7.304 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.830 9.256 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.064 7.666 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.103 8.985 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.270 6.618 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.676 5.542 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.938 5.675 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.698 6.797 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.259 7.228 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.343 8.549 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.677 8.591 -2.971 1.00 0.00 H new ATOM 132 N PRO A 12 -1.210 11.108 -3.552 1.00 0.00 N ATOM 133 CA PRO A 12 -0.305 12.259 -3.483 1.00 0.00 C ATOM 134 C PRO A 12 0.734 12.113 -2.377 1.00 0.00 C ATOM 135 O PRO A 12 0.392 11.925 -1.209 1.00 0.00 O ATOM 136 CB PRO A 12 -1.243 13.431 -3.184 1.00 0.00 C ATOM 137 CG PRO A 12 -2.418 12.813 -2.508 1.00 0.00 C ATOM 138 CD PRO A 12 -2.576 11.447 -3.117 1.00 0.00 C ATOM 0 HA PRO A 12 0.271 12.380 -4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.761 14.170 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.538 13.945 -4.099 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.257 12.744 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.315 13.413 -2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.958 10.726 -2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.273 11.459 -3.955 1.00 0.00 H new ATOM 146 N LYS A 13 2.006 12.202 -2.751 1.00 0.00 N ATOM 147 CA LYS A 13 3.097 12.081 -1.790 1.00 0.00 C ATOM 148 C LYS A 13 3.401 13.428 -1.142 1.00 0.00 C ATOM 149 O LYS A 13 3.931 14.334 -1.786 1.00 0.00 O ATOM 150 CB LYS A 13 4.352 11.539 -2.478 1.00 0.00 C ATOM 151 CG LYS A 13 5.608 11.658 -1.632 1.00 0.00 C ATOM 152 CD LYS A 13 5.661 10.583 -0.559 1.00 0.00 C ATOM 153 CE LYS A 13 5.005 11.051 0.731 1.00 0.00 C ATOM 154 NZ LYS A 13 5.885 11.977 1.496 1.00 0.00 N ATOM 0 H LYS A 13 2.307 12.358 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 13 2.788 11.384 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.193 10.491 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.503 12.075 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.487 11.579 -2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.641 12.642 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.160 9.684 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.699 10.313 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.065 11.552 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.762 10.187 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.447 12.193 2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.810 11.528 1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.013 12.858 0.958 1.00 0.00 H new ATOM 168 N THR A 14 3.064 13.553 0.138 1.00 0.00 N ATOM 169 CA THR A 14 3.301 14.788 0.874 1.00 0.00 C ATOM 170 C THR A 14 3.282 14.544 2.379 1.00 0.00 C ATOM 171 O THR A 14 2.640 13.609 2.857 1.00 0.00 O ATOM 172 CB THR A 14 2.252 15.860 0.526 1.00 0.00 C ATOM 173 OG1 THR A 14 2.440 17.016 1.350 1.00 0.00 O ATOM 174 CG2 THR A 14 0.843 15.320 0.715 1.00 0.00 C ATOM 0 H THR A 14 2.626 12.813 0.686 1.00 0.00 H new ATOM 0 HA THR A 14 4.287 15.147 0.579 1.00 0.00 H new ATOM 0 HB THR A 14 2.381 16.136 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.770 17.693 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.119 16.095 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.693 14.459 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.705 15.019 1.753 1.00 0.00 H new ATOM 182 N ASP A 15 3.987 15.392 3.120 1.00 0.00 N ATOM 183 CA ASP A 15 4.049 15.269 4.572 1.00 0.00 C ATOM 184 C ASP A 15 2.690 14.874 5.142 1.00 0.00 C ATOM 185 O ASP A 15 2.606 14.067 6.068 1.00 0.00 O ATOM 186 CB ASP A 15 4.515 16.585 5.197 1.00 0.00 C ATOM 187 CG ASP A 15 3.495 17.695 5.039 1.00 0.00 C ATOM 188 OD1 ASP A 15 3.242 18.109 3.888 1.00 0.00 O ATOM 189 OD2 ASP A 15 2.949 18.149 6.066 1.00 0.00 O ATOM 0 H ASP A 15 4.523 16.172 2.739 1.00 0.00 H new ATOM 0 HA ASP A 15 4.767 14.486 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.716 16.429 6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.454 16.890 4.736 1.00 0.00 H new ATOM 194 N GLU A 16 1.630 15.449 4.584 1.00 0.00 N ATOM 195 CA GLU A 16 0.275 15.158 5.039 1.00 0.00 C ATOM 196 C GLU A 16 0.139 13.692 5.439 1.00 0.00 C ATOM 197 O GLU A 16 -0.419 13.372 6.487 1.00 0.00 O ATOM 198 CB GLU A 16 -0.738 15.496 3.944 1.00 0.00 C ATOM 199 CG GLU A 16 -0.662 16.937 3.468 1.00 0.00 C ATOM 200 CD GLU A 16 -0.680 17.931 4.613 1.00 0.00 C ATOM 201 OE1 GLU A 16 0.314 17.984 5.367 1.00 0.00 O ATOM 202 OE2 GLU A 16 -1.687 18.656 4.754 1.00 0.00 O ATOM 0 H GLU A 16 1.683 16.119 3.817 1.00 0.00 H new ATOM 0 HA GLU A 16 0.072 15.776 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.577 14.833 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.743 15.298 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.249 17.076 2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.500 17.140 2.802 1.00 0.00 H new ATOM 209 N GLY A 17 0.654 12.804 4.593 1.00 0.00 N ATOM 210 CA GLY A 17 0.579 11.382 4.874 1.00 0.00 C ATOM 211 C GLY A 17 -0.488 10.684 4.054 1.00 0.00 C ATOM 212 O GLY A 17 -1.342 11.334 3.450 1.00 0.00 O ATOM 0 H GLY A 17 1.121 13.044 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.547 10.923 4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.372 11.235 5.934 1.00 0.00 H new ATOM 216 N LEU A 18 -0.439 9.357 4.031 1.00 0.00 N ATOM 217 CA LEU A 18 -1.409 8.569 3.277 1.00 0.00 C ATOM 218 C LEU A 18 -2.563 8.127 4.170 1.00 0.00 C ATOM 219 O LEU A 18 -3.731 8.308 3.828 1.00 0.00 O ATOM 220 CB LEU A 18 -0.730 7.346 2.657 1.00 0.00 C ATOM 221 CG LEU A 18 0.321 7.633 1.585 1.00 0.00 C ATOM 222 CD1 LEU A 18 -0.312 8.324 0.388 1.00 0.00 C ATOM 223 CD2 LEU A 18 1.449 8.480 2.157 1.00 0.00 C ATOM 0 H LEU A 18 0.261 8.804 4.525 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.810 9.196 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.258 6.774 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.500 6.710 2.221 1.00 0.00 H new ATOM 0 HG LEU A 18 0.740 6.684 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.452 8.520 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.084 7.682 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.759 9.266 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.188 8.674 1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.046 9.426 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.922 7.947 2.982 1.00 0.00 H new ATOM 235 N GLY A 19 -2.228 7.546 5.318 1.00 0.00 N ATOM 236 CA GLY A 19 -3.247 7.089 6.244 1.00 0.00 C ATOM 237 C GLY A 19 -3.504 5.599 6.134 1.00 0.00 C ATOM 238 O GLY A 19 -4.653 5.160 6.100 1.00 0.00 O ATOM 0 H GLY A 19 -1.268 7.384 5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.941 7.328 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.174 7.630 6.055 1.00 0.00 H new ATOM 242 N PHE A 20 -2.430 4.818 6.078 1.00 0.00 N ATOM 243 CA PHE A 20 -2.543 3.368 5.968 1.00 0.00 C ATOM 244 C PHE A 20 -1.402 2.676 6.708 1.00 0.00 C ATOM 245 O PHE A 20 -0.294 3.203 6.792 1.00 0.00 O ATOM 246 CB PHE A 20 -2.544 2.945 4.498 1.00 0.00 C ATOM 247 CG PHE A 20 -1.177 2.934 3.877 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.390 1.794 3.922 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.678 4.063 3.247 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.869 1.781 3.352 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.580 4.056 2.674 1.00 0.00 C ATOM 252 CZ PHE A 20 1.354 2.913 2.726 1.00 0.00 C ATOM 0 H PHE A 20 -1.471 5.165 6.107 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.485 3.066 6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.980 1.950 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.185 3.622 3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.765 0.905 4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.279 4.959 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.473 0.887 3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.957 4.943 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.337 2.904 2.278 1.00 0.00 H new ATOM 262 N ASN A 21 -1.684 1.492 7.243 1.00 0.00 N ATOM 263 CA ASN A 21 -0.682 0.728 7.977 1.00 0.00 C ATOM 264 C ASN A 21 -0.444 -0.629 7.320 1.00 0.00 C ATOM 265 O ASN A 21 -1.315 -1.154 6.625 1.00 0.00 O ATOM 266 CB ASN A 21 -1.122 0.533 9.429 1.00 0.00 C ATOM 267 CG ASN A 21 -1.330 1.850 10.152 1.00 0.00 C ATOM 268 OD1 ASN A 21 -0.501 2.263 10.963 1.00 0.00 O ATOM 269 ND2 ASN A 21 -2.441 2.516 9.860 1.00 0.00 N ATOM 0 H ASN A 21 -2.597 1.042 7.182 1.00 0.00 H new ATOM 0 HA ASN A 21 0.252 1.290 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.049 -0.041 9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.371 -0.054 9.958 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.635 3.408 10.315 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.100 2.135 9.181 1.00 0.00 H new ATOM 276 N ILE A 22 0.739 -1.189 7.544 1.00 0.00 N ATOM 277 CA ILE A 22 1.091 -2.484 6.975 1.00 0.00 C ATOM 278 C ILE A 22 1.930 -3.303 7.950 1.00 0.00 C ATOM 279 O ILE A 22 2.754 -2.759 8.684 1.00 0.00 O ATOM 280 CB ILE A 22 1.867 -2.327 5.654 1.00 0.00 C ATOM 281 CG1 ILE A 22 3.152 -1.529 5.884 1.00 0.00 C ATOM 282 CG2 ILE A 22 0.997 -1.650 4.606 1.00 0.00 C ATOM 283 CD1 ILE A 22 4.012 -1.399 4.647 1.00 0.00 C ATOM 0 H ILE A 22 1.471 -0.766 8.116 1.00 0.00 H new ATOM 0 HA ILE A 22 0.155 -3.006 6.777 1.00 0.00 H new ATOM 0 HB ILE A 22 2.137 -3.318 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.892 -0.533 6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.733 -2.010 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.559 -1.546 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.108 -2.254 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.699 -0.664 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.906 -0.822 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.302 -2.391 4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.449 -0.891 3.864 1.00 0.00 H new ATOM 295 N MET A 23 1.715 -4.615 7.951 1.00 0.00 N ATOM 296 CA MET A 23 2.453 -5.510 8.834 1.00 0.00 C ATOM 297 C MET A 23 2.855 -6.786 8.102 1.00 0.00 C ATOM 298 O MET A 23 2.078 -7.337 7.323 1.00 0.00 O ATOM 299 CB MET A 23 1.612 -5.857 10.064 1.00 0.00 C ATOM 300 CG MET A 23 0.431 -6.763 9.756 1.00 0.00 C ATOM 301 SD MET A 23 -0.242 -7.551 11.231 1.00 0.00 S ATOM 302 CE MET A 23 -1.983 -7.614 10.818 1.00 0.00 C ATOM 0 H MET A 23 1.036 -5.081 7.350 1.00 0.00 H new ATOM 0 HA MET A 23 3.359 -4.996 9.156 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.248 -6.342 10.804 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.245 -4.935 10.515 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.352 -6.181 9.271 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.742 -7.531 9.048 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.571 -7.259 11.665 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.175 -6.980 9.952 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.265 -8.641 10.586 1.00 0.00 H new ATOM 312 N GLY A 24 4.074 -7.251 8.357 1.00 0.00 N ATOM 313 CA GLY A 24 4.557 -8.459 7.714 1.00 0.00 C ATOM 314 C GLY A 24 5.639 -8.178 6.690 1.00 0.00 C ATOM 315 O GLY A 24 5.736 -7.068 6.168 1.00 0.00 O ATOM 0 H GLY A 24 4.736 -6.813 8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.946 -9.139 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.724 -8.966 7.228 1.00 0.00 H new ATOM 394 N SER A 30 5.165 -13.599 5.785 1.00 0.00 N ATOM 395 CA SER A 30 3.764 -13.370 5.454 1.00 0.00 C ATOM 396 C SER A 30 3.630 -12.315 4.360 1.00 0.00 C ATOM 397 O SER A 30 4.520 -11.493 4.143 1.00 0.00 O ATOM 398 CB SER A 30 2.989 -12.932 6.699 1.00 0.00 C ATOM 399 OG SER A 30 2.627 -14.048 7.493 1.00 0.00 O ATOM 0 HA SER A 30 3.345 -14.306 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.598 -12.245 7.287 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.093 -12.388 6.401 1.00 0.00 H new ATOM 0 HG SER A 30 2.135 -13.742 8.283 1.00 0.00 H new ATOM 405 N PRO A 31 2.489 -12.337 3.654 1.00 0.00 N ATOM 406 CA PRO A 31 2.210 -11.390 2.571 1.00 0.00 C ATOM 407 C PRO A 31 1.978 -9.973 3.086 1.00 0.00 C ATOM 408 O PRO A 31 1.230 -9.764 4.041 1.00 0.00 O ATOM 409 CB PRO A 31 0.932 -11.944 1.936 1.00 0.00 C ATOM 410 CG PRO A 31 0.272 -12.717 3.025 1.00 0.00 C ATOM 411 CD PRO A 31 1.385 -13.289 3.860 1.00 0.00 C ATOM 0 HA PRO A 31 3.046 -11.307 1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.289 -11.141 1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.159 -12.580 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.374 -12.075 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.356 -13.509 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.104 -13.358 4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.655 -14.294 3.536 1.00 0.00 H new ATOM 419 N ILE A 32 2.624 -9.003 2.447 1.00 0.00 N ATOM 420 CA ILE A 32 2.487 -7.607 2.840 1.00 0.00 C ATOM 421 C ILE A 32 1.121 -7.056 2.444 1.00 0.00 C ATOM 422 O ILE A 32 0.772 -7.021 1.264 1.00 0.00 O ATOM 423 CB ILE A 32 3.584 -6.732 2.204 1.00 0.00 C ATOM 424 CG1 ILE A 32 4.969 -7.250 2.595 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.416 -5.281 2.629 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.092 -6.646 1.780 1.00 0.00 C ATOM 0 H ILE A 32 3.247 -9.159 1.655 1.00 0.00 H new ATOM 0 HA ILE A 32 2.590 -7.573 3.925 1.00 0.00 H new ATOM 0 HB ILE A 32 3.489 -6.786 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.142 -7.039 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.989 -8.334 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.198 -4.675 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.440 -4.918 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.489 -5.209 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.045 -7.059 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.943 -6.879 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.099 -5.564 1.915 1.00 0.00 H new ATOM 438 N TYR A 33 0.352 -6.627 3.439 1.00 0.00 N ATOM 439 CA TYR A 33 -0.977 -6.078 3.195 1.00 0.00 C ATOM 440 C TYR A 33 -1.271 -4.920 4.143 1.00 0.00 C ATOM 441 O TYR A 33 -0.456 -4.586 5.004 1.00 0.00 O ATOM 442 CB TYR A 33 -2.039 -7.167 3.358 1.00 0.00 C ATOM 443 CG TYR A 33 -1.991 -7.864 4.699 1.00 0.00 C ATOM 444 CD1 TYR A 33 -2.327 -7.190 5.867 1.00 0.00 C ATOM 445 CD2 TYR A 33 -1.610 -9.197 4.798 1.00 0.00 C ATOM 446 CE1 TYR A 33 -2.283 -7.823 7.094 1.00 0.00 C ATOM 447 CE2 TYR A 33 -1.565 -9.838 6.020 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.902 -9.147 7.166 1.00 0.00 C ATOM 449 OH TYR A 33 -1.859 -9.781 8.386 1.00 0.00 O ATOM 0 H TYR A 33 0.626 -6.649 4.421 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.005 -5.702 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.026 -6.724 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.912 -7.908 2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.628 -6.154 5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.345 -9.741 3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.546 -7.284 7.992 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.268 -10.875 6.079 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.572 -10.710 8.262 1.00 0.00 H new ATOM 459 N ILE A 34 -2.440 -4.311 3.979 1.00 0.00 N ATOM 460 CA ILE A 34 -2.843 -3.192 4.821 1.00 0.00 C ATOM 461 C ILE A 34 -3.441 -3.680 6.136 1.00 0.00 C ATOM 462 O ILE A 34 -4.550 -4.213 6.166 1.00 0.00 O ATOM 463 CB ILE A 34 -3.868 -2.291 4.107 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.312 -1.812 2.764 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.236 -1.106 4.987 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.031 -1.018 2.890 1.00 0.00 C ATOM 0 H ILE A 34 -3.125 -4.574 3.270 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.943 -2.613 5.027 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.770 -2.872 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.133 -2.677 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.063 -1.198 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.961 -0.479 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.670 -1.466 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.341 -0.522 5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.694 -0.711 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.209 -0.134 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.265 -1.636 3.358 1.00 0.00 H new ATOM 478 N SER A 35 -2.699 -3.492 7.223 1.00 0.00 N ATOM 479 CA SER A 35 -3.155 -3.915 8.542 1.00 0.00 C ATOM 480 C SER A 35 -4.326 -3.058 9.013 1.00 0.00 C ATOM 481 O SER A 35 -5.373 -3.577 9.400 1.00 0.00 O ATOM 482 CB SER A 35 -2.008 -3.832 9.551 1.00 0.00 C ATOM 483 OG SER A 35 -1.668 -2.484 9.827 1.00 0.00 O ATOM 0 H SER A 35 -1.780 -3.050 7.216 1.00 0.00 H new ATOM 0 HA SER A 35 -3.492 -4.949 8.469 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.295 -4.334 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.137 -4.357 9.160 1.00 0.00 H new ATOM 0 HG SER A 35 -0.934 -2.458 10.476 1.00 0.00 H new ATOM 489 N ARG A 36 -4.140 -1.743 8.976 1.00 0.00 N ATOM 490 CA ARG A 36 -5.179 -0.812 9.400 1.00 0.00 C ATOM 491 C ARG A 36 -5.152 0.456 8.553 1.00 0.00 C ATOM 492 O ARG A 36 -4.089 0.911 8.131 1.00 0.00 O ATOM 493 CB ARG A 36 -5.003 -0.456 10.877 1.00 0.00 C ATOM 494 CG ARG A 36 -6.306 -0.120 11.583 1.00 0.00 C ATOM 495 CD ARG A 36 -6.625 1.364 11.488 1.00 0.00 C ATOM 496 NE ARG A 36 -7.803 1.722 12.273 1.00 0.00 N ATOM 497 CZ ARG A 36 -8.031 2.944 12.742 1.00 0.00 C ATOM 498 NH1 ARG A 36 -7.165 3.920 12.505 1.00 0.00 N ATOM 499 NH2 ARG A 36 -9.127 3.192 13.448 1.00 0.00 N ATOM 0 H ARG A 36 -3.280 -1.298 8.657 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.145 -1.298 9.263 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.528 -1.292 11.389 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.326 0.394 10.959 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.119 -0.697 11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.239 -0.412 12.631 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.769 1.942 11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.789 1.633 10.445 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.489 0.994 12.472 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.322 3.733 11.962 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.342 4.857 12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.796 2.444 13.631 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.301 4.131 13.807 1.00 0.00 H new ATOM 513 N VAL A 37 -6.329 1.023 8.307 1.00 0.00 N ATOM 514 CA VAL A 37 -6.441 2.239 7.511 1.00 0.00 C ATOM 515 C VAL A 37 -7.057 3.373 8.323 1.00 0.00 C ATOM 516 O VAL A 37 -8.023 3.169 9.059 1.00 0.00 O ATOM 517 CB VAL A 37 -7.290 2.007 6.247 1.00 0.00 C ATOM 518 CG1 VAL A 37 -7.438 3.299 5.458 1.00 0.00 C ATOM 519 CG2 VAL A 37 -6.676 0.913 5.387 1.00 0.00 C ATOM 0 H VAL A 37 -7.219 0.659 8.648 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.430 2.517 7.214 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.284 1.681 6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.041 3.115 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.926 4.050 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.453 3.659 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.289 0.762 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.670 1.207 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.629 -0.015 5.957 1.00 0.00 H new ATOM 529 N ILE A 38 -6.492 4.568 8.184 1.00 0.00 N ATOM 530 CA ILE A 38 -6.987 5.735 8.903 1.00 0.00 C ATOM 531 C ILE A 38 -8.395 6.105 8.448 1.00 0.00 C ATOM 532 O ILE A 38 -8.651 6.339 7.267 1.00 0.00 O ATOM 533 CB ILE A 38 -6.061 6.950 8.709 1.00 0.00 C ATOM 534 CG1 ILE A 38 -4.638 6.611 9.157 1.00 0.00 C ATOM 535 CG2 ILE A 38 -6.593 8.149 9.480 1.00 0.00 C ATOM 536 CD1 ILE A 38 -4.556 6.111 10.582 1.00 0.00 C ATOM 0 H ILE A 38 -5.691 4.753 7.580 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.008 5.469 9.960 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.037 7.205 7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.227 5.853 8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.013 7.498 9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.928 9.000 9.333 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.590 8.401 9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.643 7.906 10.541 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.518 5.890 10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.937 6.876 11.259 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.154 5.206 10.685 1.00 0.00 H new ATOM 548 N PRO A 39 -9.331 6.160 9.407 1.00 0.00 N ATOM 549 CA PRO A 39 -10.729 6.504 9.130 1.00 0.00 C ATOM 550 C PRO A 39 -10.900 7.968 8.741 1.00 0.00 C ATOM 551 O PRO A 39 -12.017 8.439 8.532 1.00 0.00 O ATOM 552 CB PRO A 39 -11.435 6.217 10.457 1.00 0.00 C ATOM 553 CG PRO A 39 -10.370 6.354 11.490 1.00 0.00 C ATOM 554 CD PRO A 39 -9.097 5.893 10.836 1.00 0.00 C ATOM 0 HA PRO A 39 -11.128 5.938 8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.249 6.920 10.632 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.869 5.217 10.466 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.284 7.387 11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.598 5.750 12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.232 6.440 11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.910 4.835 11.022 1.00 0.00 H new ATOM 562 N GLY A 40 -9.784 8.685 8.646 1.00 0.00 N ATOM 563 CA GLY A 40 -9.833 10.089 8.282 1.00 0.00 C ATOM 564 C GLY A 40 -8.538 10.572 7.660 1.00 0.00 C ATOM 565 O GLY A 40 -8.060 11.663 7.972 1.00 0.00 O ATOM 0 H GLY A 40 -8.847 8.318 8.815 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.652 10.251 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.050 10.684 9.169 1.00 0.00 H new ATOM 569 N GLY A 41 -7.966 9.757 6.779 1.00 0.00 N ATOM 570 CA GLY A 41 -6.722 10.125 6.127 1.00 0.00 C ATOM 571 C GLY A 41 -6.893 10.350 4.638 1.00 0.00 C ATOM 572 O GLY A 41 -7.976 10.708 4.177 1.00 0.00 O ATOM 0 H GLY A 41 -8.341 8.849 6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.329 11.032 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.984 9.340 6.290 1.00 0.00 H new ATOM 576 N VAL A 42 -5.818 10.143 3.883 1.00 0.00 N ATOM 577 CA VAL A 42 -5.853 10.327 2.437 1.00 0.00 C ATOM 578 C VAL A 42 -6.343 9.066 1.735 1.00 0.00 C ATOM 579 O VAL A 42 -7.122 9.135 0.784 1.00 0.00 O ATOM 580 CB VAL A 42 -4.465 10.702 1.885 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.505 10.812 0.369 1.00 0.00 C ATOM 582 CG2 VAL A 42 -3.978 12.001 2.509 1.00 0.00 C ATOM 0 H VAL A 42 -4.913 9.848 4.249 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.547 11.143 2.238 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.762 9.912 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.515 11.078 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.808 9.856 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.220 11.582 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.996 12.251 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.680 12.802 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.909 11.882 3.590 1.00 0.00 H new ATOM 592 N ALA A 43 -5.882 7.913 2.209 1.00 0.00 N ATOM 593 CA ALA A 43 -6.276 6.636 1.628 1.00 0.00 C ATOM 594 C ALA A 43 -7.788 6.450 1.684 1.00 0.00 C ATOM 595 O ALA A 43 -8.398 5.958 0.734 1.00 0.00 O ATOM 596 CB ALA A 43 -5.575 5.492 2.346 1.00 0.00 C ATOM 0 H ALA A 43 -5.235 7.838 2.994 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.975 6.633 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.878 4.544 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.496 5.609 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.848 5.503 3.401 1.00 0.00 H new ATOM 602 N ASP A 44 -8.387 6.845 2.802 1.00 0.00 N ATOM 603 CA ASP A 44 -9.830 6.722 2.981 1.00 0.00 C ATOM 604 C ASP A 44 -10.577 7.637 2.015 1.00 0.00 C ATOM 605 O ASP A 44 -11.508 7.209 1.334 1.00 0.00 O ATOM 606 CB ASP A 44 -10.216 7.056 4.422 1.00 0.00 C ATOM 607 CG ASP A 44 -11.691 6.830 4.694 1.00 0.00 C ATOM 608 OD1 ASP A 44 -12.104 5.654 4.779 1.00 0.00 O ATOM 609 OD2 ASP A 44 -12.431 7.827 4.819 1.00 0.00 O ATOM 0 H ASP A 44 -7.896 7.253 3.598 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.112 5.691 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.626 6.444 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.966 8.096 4.630 1.00 0.00 H new ATOM 614 N ARG A 45 -10.163 8.899 1.963 1.00 0.00 N ATOM 615 CA ARG A 45 -10.794 9.875 1.083 1.00 0.00 C ATOM 616 C ARG A 45 -10.701 9.433 -0.374 1.00 0.00 C ATOM 617 O ARG A 45 -11.701 9.414 -1.093 1.00 0.00 O ATOM 618 CB ARG A 45 -10.139 11.247 1.254 1.00 0.00 C ATOM 619 CG ARG A 45 -10.507 11.939 2.556 1.00 0.00 C ATOM 620 CD ARG A 45 -10.492 13.452 2.406 1.00 0.00 C ATOM 621 NE ARG A 45 -11.163 14.120 3.519 1.00 0.00 N ATOM 622 CZ ARG A 45 -11.683 15.339 3.439 1.00 0.00 C ATOM 623 NH1 ARG A 45 -11.611 16.021 2.304 1.00 0.00 N ATOM 624 NH2 ARG A 45 -12.277 15.879 4.495 1.00 0.00 N ATOM 0 H ARG A 45 -9.393 9.269 2.520 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.847 9.946 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.056 11.132 1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.428 11.885 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.497 11.614 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.807 11.643 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.461 13.800 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.979 13.728 1.471 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.236 13.622 4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.155 15.609 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.011 16.957 2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.335 15.358 5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.676 16.816 4.432 1.00 0.00 H new ATOM 638 N HIS A 46 -9.494 9.079 -0.804 1.00 0.00 N ATOM 639 CA HIS A 46 -9.271 8.637 -2.176 1.00 0.00 C ATOM 640 C HIS A 46 -10.330 7.625 -2.600 1.00 0.00 C ATOM 641 O HIS A 46 -11.090 7.862 -3.538 1.00 0.00 O ATOM 642 CB HIS A 46 -7.877 8.024 -2.316 1.00 0.00 C ATOM 643 CG HIS A 46 -7.625 7.409 -3.658 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.260 6.265 -4.093 1.00 0.00 N ATOM 645 CD2 HIS A 46 -6.803 7.788 -4.665 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.837 5.965 -5.309 1.00 0.00 C ATOM 647 NE2 HIS A 46 -6.953 6.874 -5.679 1.00 0.00 N ATOM 0 H HIS A 46 -8.656 9.090 -0.223 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.344 9.507 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.130 8.796 -2.133 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.745 7.264 -1.546 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.151 8.649 -4.670 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.159 5.120 -5.900 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.462 6.894 -6.573 1.00 0.00 H new ATOM 655 N GLY A 47 -10.374 6.493 -1.903 1.00 0.00 N ATOM 656 CA GLY A 47 -11.343 5.462 -2.223 1.00 0.00 C ATOM 657 C GLY A 47 -10.749 4.351 -3.068 1.00 0.00 C ATOM 658 O GLY A 47 -10.633 4.483 -4.285 1.00 0.00 O ATOM 0 H GLY A 47 -9.756 6.272 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.739 5.040 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.183 5.909 -2.754 1.00 0.00 H new ATOM 662 N GLY A 48 -10.371 3.254 -2.419 1.00 0.00 N ATOM 663 CA GLY A 48 -9.790 2.133 -3.134 1.00 0.00 C ATOM 664 C GLY A 48 -8.965 1.235 -2.233 1.00 0.00 C ATOM 665 O GLY A 48 -9.069 0.010 -2.302 1.00 0.00 O ATOM 0 H GLY A 48 -10.457 3.122 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.586 1.548 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.162 2.508 -3.942 1.00 0.00 H new ATOM 669 N LEU A 49 -8.142 1.845 -1.387 1.00 0.00 N ATOM 670 CA LEU A 49 -7.294 1.092 -0.468 1.00 0.00 C ATOM 671 C LEU A 49 -8.050 0.745 0.810 1.00 0.00 C ATOM 672 O LEU A 49 -8.822 1.553 1.327 1.00 0.00 O ATOM 673 CB LEU A 49 -6.038 1.896 -0.129 1.00 0.00 C ATOM 674 CG LEU A 49 -4.990 2.004 -1.238 1.00 0.00 C ATOM 675 CD1 LEU A 49 -4.174 3.277 -1.078 1.00 0.00 C ATOM 676 CD2 LEU A 49 -4.083 0.782 -1.235 1.00 0.00 C ATOM 0 H LEU A 49 -8.044 2.858 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.003 0.163 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.342 2.903 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.568 1.446 0.745 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.506 2.046 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.433 3.337 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.835 4.142 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.668 3.266 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.344 0.876 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.575 0.709 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.680 -0.115 -1.399 1.00 0.00 H new ATOM 688 N LYS A 50 -7.822 -0.462 1.316 1.00 0.00 N ATOM 689 CA LYS A 50 -8.478 -0.917 2.537 1.00 0.00 C ATOM 690 C LYS A 50 -7.709 -2.073 3.169 1.00 0.00 C ATOM 691 O LYS A 50 -6.844 -2.676 2.534 1.00 0.00 O ATOM 692 CB LYS A 50 -9.915 -1.349 2.237 1.00 0.00 C ATOM 693 CG LYS A 50 -10.016 -2.425 1.169 1.00 0.00 C ATOM 694 CD LYS A 50 -9.959 -3.818 1.774 1.00 0.00 C ATOM 695 CE LYS A 50 -9.976 -4.894 0.699 1.00 0.00 C ATOM 696 NZ LYS A 50 -11.364 -5.275 0.317 1.00 0.00 N ATOM 0 H LYS A 50 -7.188 -1.143 0.899 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.495 -0.086 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.374 -1.716 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.489 -0.478 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.948 -2.305 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.204 -2.305 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.056 -3.918 2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.806 -3.959 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.442 -4.536 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.444 -5.775 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.332 -6.010 -0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.866 -5.641 1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.865 -4.440 -0.050 1.00 0.00 H new ATOM 710 N ARG A 51 -8.033 -2.377 4.422 1.00 0.00 N ATOM 711 CA ARG A 51 -7.372 -3.462 5.139 1.00 0.00 C ATOM 712 C ARG A 51 -7.582 -4.793 4.424 1.00 0.00 C ATOM 713 O ARG A 51 -8.715 -5.219 4.202 1.00 0.00 O ATOM 714 CB ARG A 51 -7.902 -3.550 6.571 1.00 0.00 C ATOM 715 CG ARG A 51 -7.399 -4.766 7.332 1.00 0.00 C ATOM 716 CD ARG A 51 -8.085 -4.901 8.683 1.00 0.00 C ATOM 717 NE ARG A 51 -9.349 -5.627 8.585 1.00 0.00 N ATOM 718 CZ ARG A 51 -10.516 -5.041 8.342 1.00 0.00 C ATOM 719 NH1 ARG A 51 -10.579 -3.728 8.174 1.00 0.00 N ATOM 720 NH2 ARG A 51 -11.622 -5.770 8.267 1.00 0.00 N ATOM 0 H ARG A 51 -8.748 -1.888 4.961 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.303 -3.250 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.614 -2.649 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.991 -3.573 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.576 -5.665 6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.322 -4.686 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.422 -5.419 9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.268 -3.910 9.098 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.335 -6.639 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.730 -3.165 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.476 -3.280 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.576 -6.781 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.518 -5.320 8.080 1.00 0.00 H new ATOM 734 N GLY A 52 -6.481 -5.447 4.066 1.00 0.00 N ATOM 735 CA GLY A 52 -6.566 -6.723 3.380 1.00 0.00 C ATOM 736 C GLY A 52 -5.790 -6.733 2.078 1.00 0.00 C ATOM 737 O GLY A 52 -5.173 -7.738 1.723 1.00 0.00 O ATOM 0 H GLY A 52 -5.532 -5.116 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.186 -7.509 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.612 -6.955 3.178 1.00 0.00 H new ATOM 741 N ASP A 53 -5.822 -5.614 1.363 1.00 0.00 N ATOM 742 CA ASP A 53 -5.117 -5.498 0.092 1.00 0.00 C ATOM 743 C ASP A 53 -3.641 -5.845 0.255 1.00 0.00 C ATOM 744 O ASP A 53 -2.971 -5.337 1.154 1.00 0.00 O ATOM 745 CB ASP A 53 -5.263 -4.083 -0.470 1.00 0.00 C ATOM 746 CG ASP A 53 -6.712 -3.664 -0.615 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.489 -4.420 -1.235 1.00 0.00 O ATOM 748 OD2 ASP A 53 -7.070 -2.580 -0.109 1.00 0.00 O ATOM 0 H ASP A 53 -6.329 -4.774 1.642 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.562 -6.205 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.749 -3.380 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.773 -4.029 -1.442 1.00 0.00 H new ATOM 753 N GLN A 54 -3.142 -6.713 -0.618 1.00 0.00 N ATOM 754 CA GLN A 54 -1.745 -7.129 -0.568 1.00 0.00 C ATOM 755 C GLN A 54 -0.887 -6.265 -1.488 1.00 0.00 C ATOM 756 O GLN A 54 -1.137 -6.183 -2.691 1.00 0.00 O ATOM 757 CB GLN A 54 -1.614 -8.601 -0.963 1.00 0.00 C ATOM 758 CG GLN A 54 -0.437 -9.304 -0.307 1.00 0.00 C ATOM 759 CD GLN A 54 -0.063 -10.594 -1.010 1.00 0.00 C ATOM 760 OE1 GLN A 54 -0.905 -11.243 -1.631 1.00 0.00 O ATOM 761 NE2 GLN A 54 1.206 -10.974 -0.915 1.00 0.00 N ATOM 0 H GLN A 54 -3.684 -7.142 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.391 -7.002 0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.533 -9.123 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.510 -8.670 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.424 -8.635 -0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.681 -9.519 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.871 -10.406 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.516 -11.834 -1.367 1.00 0.00 H new ATOM 770 N LEU A 55 0.124 -5.623 -0.914 1.00 0.00 N ATOM 771 CA LEU A 55 1.020 -4.765 -1.682 1.00 0.00 C ATOM 772 C LEU A 55 1.860 -5.586 -2.654 1.00 0.00 C ATOM 773 O LEU A 55 2.649 -6.439 -2.243 1.00 0.00 O ATOM 774 CB LEU A 55 1.932 -3.975 -0.742 1.00 0.00 C ATOM 775 CG LEU A 55 2.746 -2.851 -1.384 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.833 -1.723 -1.839 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.796 -2.331 -0.413 1.00 0.00 C ATOM 0 H LEU A 55 0.344 -5.680 0.080 1.00 0.00 H new ATOM 0 HA LEU A 55 0.411 -4.068 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.319 -3.546 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.623 -4.672 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 55 3.257 -3.253 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.430 -0.932 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.120 -2.104 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.294 -1.323 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.366 -1.532 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.306 -1.946 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.470 -3.142 -0.137 1.00 0.00 H new ATOM 789 N LEU A 56 1.689 -5.323 -3.945 1.00 0.00 N ATOM 790 CA LEU A 56 2.434 -6.037 -4.977 1.00 0.00 C ATOM 791 C LEU A 56 3.740 -5.318 -5.301 1.00 0.00 C ATOM 792 O LEU A 56 4.814 -5.919 -5.273 1.00 0.00 O ATOM 793 CB LEU A 56 1.586 -6.173 -6.243 1.00 0.00 C ATOM 794 CG LEU A 56 0.342 -7.053 -6.126 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.428 -7.068 -7.437 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.725 -8.468 -5.715 1.00 0.00 C ATOM 0 H LEU A 56 1.041 -4.621 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 56 2.672 -7.031 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.274 -5.177 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.216 -6.573 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.303 -6.634 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.310 -7.700 -7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.736 -6.053 -7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.209 -7.462 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.174 -9.080 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.392 -8.896 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.231 -8.442 -4.750 1.00 0.00 H new ATOM 808 N SER A 57 3.640 -4.028 -5.605 1.00 0.00 N ATOM 809 CA SER A 57 4.814 -3.228 -5.936 1.00 0.00 C ATOM 810 C SER A 57 4.581 -1.758 -5.599 1.00 0.00 C ATOM 811 O SER A 57 3.446 -1.282 -5.598 1.00 0.00 O ATOM 812 CB SER A 57 5.156 -3.375 -7.419 1.00 0.00 C ATOM 813 OG SER A 57 5.386 -4.732 -7.758 1.00 0.00 O ATOM 0 H SER A 57 2.759 -3.515 -5.629 1.00 0.00 H new ATOM 0 HA SER A 57 5.651 -3.592 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.341 -2.979 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.042 -2.784 -7.651 1.00 0.00 H new ATOM 0 HG SER A 57 5.601 -4.799 -8.712 1.00 0.00 H new ATOM 819 N VAL A 58 5.665 -1.044 -5.314 1.00 0.00 N ATOM 820 CA VAL A 58 5.581 0.372 -4.977 1.00 0.00 C ATOM 821 C VAL A 58 6.622 1.182 -5.742 1.00 0.00 C ATOM 822 O VAL A 58 7.762 0.749 -5.905 1.00 0.00 O ATOM 823 CB VAL A 58 5.776 0.602 -3.467 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.709 2.086 -3.139 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.738 -0.176 -2.672 1.00 0.00 C ATOM 0 H VAL A 58 6.612 -1.423 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 58 4.583 0.706 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 58 6.764 0.237 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.849 2.228 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.494 2.614 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.736 2.480 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.890 -0.002 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.739 0.156 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.840 -1.240 -2.884 1.00 0.00 H new ATOM 835 N ASN A 59 6.222 2.360 -6.209 1.00 0.00 N ATOM 836 CA ASN A 59 7.120 3.231 -6.957 1.00 0.00 C ATOM 837 C ASN A 59 7.769 2.479 -8.115 1.00 0.00 C ATOM 838 O ASN A 59 8.920 2.731 -8.466 1.00 0.00 O ATOM 839 CB ASN A 59 8.201 3.798 -6.034 1.00 0.00 C ATOM 840 CG ASN A 59 7.629 4.711 -4.967 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.900 4.541 -3.778 1.00 0.00 O ATOM 842 ND2 ASN A 59 6.833 5.687 -5.388 1.00 0.00 N ATOM 0 H ASN A 59 5.281 2.733 -6.082 1.00 0.00 H new ATOM 0 HA ASN A 59 6.531 4.053 -7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.735 2.976 -5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.930 4.350 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.419 6.333 -4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.636 5.791 -6.383 1.00 0.00 H new ATOM 849 N GLY A 60 7.019 1.552 -8.706 1.00 0.00 N ATOM 850 CA GLY A 60 7.537 0.778 -9.818 1.00 0.00 C ATOM 851 C GLY A 60 8.565 -0.248 -9.382 1.00 0.00 C ATOM 852 O GLY A 60 9.424 -0.649 -10.167 1.00 0.00 O ATOM 0 H GLY A 60 6.063 1.324 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.712 0.271 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.987 1.452 -10.547 1.00 0.00 H new ATOM 856 N VAL A 61 8.478 -0.673 -8.125 1.00 0.00 N ATOM 857 CA VAL A 61 9.408 -1.657 -7.586 1.00 0.00 C ATOM 858 C VAL A 61 8.664 -2.806 -6.913 1.00 0.00 C ATOM 859 O VAL A 61 7.768 -2.586 -6.098 1.00 0.00 O ATOM 860 CB VAL A 61 10.373 -1.019 -6.568 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.339 -2.060 -6.024 1.00 0.00 C ATOM 862 CG2 VAL A 61 11.126 0.140 -7.203 1.00 0.00 C ATOM 0 H VAL A 61 7.773 -0.351 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 61 9.983 -2.043 -8.428 1.00 0.00 H new ATOM 0 HB VAL A 61 9.789 -0.629 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.013 -1.591 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.778 -2.854 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.919 -2.482 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.803 0.579 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.700 -0.223 -8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.415 0.895 -7.539 1.00 0.00 H new ATOM 872 N SER A 62 9.042 -4.032 -7.260 1.00 0.00 N ATOM 873 CA SER A 62 8.408 -5.216 -6.692 1.00 0.00 C ATOM 874 C SER A 62 8.846 -5.426 -5.246 1.00 0.00 C ATOM 875 O SER A 62 10.003 -5.750 -4.976 1.00 0.00 O ATOM 876 CB SER A 62 8.751 -6.453 -7.525 1.00 0.00 C ATOM 877 OG SER A 62 8.329 -7.639 -6.875 1.00 0.00 O ATOM 0 H SER A 62 9.784 -4.231 -7.931 1.00 0.00 H new ATOM 0 HA SER A 62 7.329 -5.063 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.274 -6.381 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.827 -6.492 -7.698 1.00 0.00 H new ATOM 0 HG SER A 62 8.558 -8.415 -7.428 1.00 0.00 H new ATOM 883 N VAL A 63 7.912 -5.239 -4.319 1.00 0.00 N ATOM 884 CA VAL A 63 8.199 -5.409 -2.899 1.00 0.00 C ATOM 885 C VAL A 63 7.846 -6.816 -2.431 1.00 0.00 C ATOM 886 O VAL A 63 8.311 -7.268 -1.386 1.00 0.00 O ATOM 887 CB VAL A 63 7.427 -4.386 -2.044 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.820 -2.967 -2.425 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.927 -4.591 -2.194 1.00 0.00 C ATOM 0 H VAL A 63 6.950 -4.970 -4.526 1.00 0.00 H new ATOM 0 HA VAL A 63 9.269 -5.245 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 63 7.689 -4.541 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.265 -2.258 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.889 -2.829 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.589 -2.795 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.397 -3.860 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.645 -4.463 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.663 -5.597 -1.867 1.00 0.00 H new ATOM 899 N GLU A 64 7.019 -7.504 -3.213 1.00 0.00 N ATOM 900 CA GLU A 64 6.603 -8.860 -2.878 1.00 0.00 C ATOM 901 C GLU A 64 7.807 -9.724 -2.514 1.00 0.00 C ATOM 902 O GLU A 64 7.749 -10.531 -1.586 1.00 0.00 O ATOM 903 CB GLU A 64 5.846 -9.490 -4.049 1.00 0.00 C ATOM 904 CG GLU A 64 4.426 -8.971 -4.204 1.00 0.00 C ATOM 905 CD GLU A 64 3.475 -9.557 -3.179 1.00 0.00 C ATOM 906 OE1 GLU A 64 2.993 -10.689 -3.396 1.00 0.00 O ATOM 907 OE2 GLU A 64 3.212 -8.885 -2.160 1.00 0.00 O ATOM 0 H GLU A 64 6.625 -7.144 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 64 5.941 -8.806 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.396 -9.300 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.816 -10.571 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.428 -7.885 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.065 -9.206 -5.205 1.00 0.00 H new ATOM 914 N GLY A 65 8.899 -9.550 -3.252 1.00 0.00 N ATOM 915 CA GLY A 65 10.101 -10.320 -2.993 1.00 0.00 C ATOM 916 C GLY A 65 11.185 -9.496 -2.326 1.00 0.00 C ATOM 917 O GLY A 65 12.351 -9.565 -2.712 1.00 0.00 O ATOM 0 H GLY A 65 8.972 -8.889 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.854 -11.171 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.481 -10.722 -3.932 1.00 0.00 H new ATOM 921 N GLU A 66 10.798 -8.715 -1.322 1.00 0.00 N ATOM 922 CA GLU A 66 11.746 -7.873 -0.602 1.00 0.00 C ATOM 923 C GLU A 66 11.370 -7.769 0.873 1.00 0.00 C ATOM 924 O GLU A 66 10.292 -8.201 1.281 1.00 0.00 O ATOM 925 CB GLU A 66 11.799 -6.477 -1.226 1.00 0.00 C ATOM 926 CG GLU A 66 12.485 -6.442 -2.581 1.00 0.00 C ATOM 927 CD GLU A 66 13.945 -6.843 -2.507 1.00 0.00 C ATOM 928 OE1 GLU A 66 14.563 -6.641 -1.441 1.00 0.00 O ATOM 929 OE2 GLU A 66 14.470 -7.360 -3.516 1.00 0.00 O ATOM 0 H GLU A 66 9.836 -8.648 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 66 12.731 -8.334 -0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.783 -6.097 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.321 -5.804 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.963 -7.111 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.409 -5.437 -2.997 1.00 0.00 H new ATOM 936 N GLN A 67 12.267 -7.193 1.667 1.00 0.00 N ATOM 937 CA GLN A 67 12.030 -7.034 3.097 1.00 0.00 C ATOM 938 C GLN A 67 11.018 -5.923 3.360 1.00 0.00 C ATOM 939 O GLN A 67 10.855 -5.012 2.548 1.00 0.00 O ATOM 940 CB GLN A 67 13.341 -6.728 3.822 1.00 0.00 C ATOM 941 CG GLN A 67 14.133 -7.970 4.198 1.00 0.00 C ATOM 942 CD GLN A 67 14.901 -8.549 3.026 1.00 0.00 C ATOM 943 OE1 GLN A 67 14.344 -8.760 1.948 1.00 0.00 O ATOM 944 NE2 GLN A 67 16.187 -8.809 3.231 1.00 0.00 N ATOM 0 H GLN A 67 13.164 -6.829 1.345 1.00 0.00 H new ATOM 0 HA GLN A 67 11.623 -7.970 3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.958 -6.092 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.122 -6.159 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.831 -7.723 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.452 -8.725 4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.607 -8.618 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.755 -9.199 2.479 1.00 0.00 H new ATOM 953 N HIS A 68 10.340 -6.005 4.501 1.00 0.00 N ATOM 954 CA HIS A 68 9.344 -5.006 4.871 1.00 0.00 C ATOM 955 C HIS A 68 9.946 -3.604 4.850 1.00 0.00 C ATOM 956 O HIS A 68 9.340 -2.667 4.333 1.00 0.00 O ATOM 957 CB HIS A 68 8.778 -5.310 6.259 1.00 0.00 C ATOM 958 CG HIS A 68 7.674 -4.385 6.671 1.00 0.00 C ATOM 959 ND1 HIS A 68 7.336 -4.157 7.988 1.00 0.00 N ATOM 960 CD2 HIS A 68 6.831 -3.627 5.931 1.00 0.00 C ATOM 961 CE1 HIS A 68 6.332 -3.300 8.041 1.00 0.00 C ATOM 962 NE2 HIS A 68 6.007 -2.963 6.806 1.00 0.00 N ATOM 0 H HIS A 68 10.462 -6.752 5.184 1.00 0.00 H new ATOM 0 HA HIS A 68 8.536 -5.046 4.140 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.407 -6.335 6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.583 -5.251 6.992 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.790 -4.583 8.796 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.810 -3.558 4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.858 -2.937 8.941 1.00 0.00 H new ATOM 970 N GLU A 69 11.141 -3.470 5.417 1.00 0.00 N ATOM 971 CA GLU A 69 11.824 -2.182 5.464 1.00 0.00 C ATOM 972 C GLU A 69 11.784 -1.496 4.101 1.00 0.00 C ATOM 973 O GLU A 69 11.500 -0.302 4.003 1.00 0.00 O ATOM 974 CB GLU A 69 13.275 -2.365 5.914 1.00 0.00 C ATOM 975 CG GLU A 69 13.441 -2.427 7.422 1.00 0.00 C ATOM 976 CD GLU A 69 12.834 -3.680 8.025 1.00 0.00 C ATOM 977 OE1 GLU A 69 11.591 -3.793 8.031 1.00 0.00 O ATOM 978 OE2 GLU A 69 13.604 -4.546 8.490 1.00 0.00 O ATOM 0 H GLU A 69 11.656 -4.237 5.850 1.00 0.00 H new ATOM 0 HA GLU A 69 11.306 -1.550 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.670 -3.282 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.874 -1.542 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.502 -2.387 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.976 -1.550 7.871 1.00 0.00 H new ATOM 985 N LYS A 70 12.073 -2.259 3.053 1.00 0.00 N ATOM 986 CA LYS A 70 12.070 -1.727 1.695 1.00 0.00 C ATOM 987 C LYS A 70 10.798 -0.931 1.425 1.00 0.00 C ATOM 988 O LYS A 70 10.852 0.259 1.116 1.00 0.00 O ATOM 989 CB LYS A 70 12.199 -2.864 0.679 1.00 0.00 C ATOM 990 CG LYS A 70 12.051 -2.411 -0.763 1.00 0.00 C ATOM 991 CD LYS A 70 13.383 -1.972 -1.349 1.00 0.00 C ATOM 992 CE LYS A 70 14.114 -3.134 -2.003 1.00 0.00 C ATOM 993 NZ LYS A 70 15.346 -2.687 -2.710 1.00 0.00 N ATOM 0 H LYS A 70 12.312 -3.248 3.118 1.00 0.00 H new ATOM 0 HA LYS A 70 12.924 -1.058 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.171 -3.342 0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.443 -3.619 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.640 -3.225 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.340 -1.586 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.216 -1.185 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.005 -1.546 -0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.378 -3.870 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.449 -3.630 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.815 -3.508 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.092 -2.003 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.992 -2.237 -2.031 1.00 0.00 H new ATOM 1007 N ALA A 71 9.653 -1.596 1.544 1.00 0.00 N ATOM 1008 CA ALA A 71 8.367 -0.949 1.316 1.00 0.00 C ATOM 1009 C ALA A 71 8.337 0.447 1.930 1.00 0.00 C ATOM 1010 O ALA A 71 7.859 1.398 1.312 1.00 0.00 O ATOM 1011 CB ALA A 71 7.240 -1.801 1.882 1.00 0.00 C ATOM 0 H ALA A 71 9.590 -2.582 1.797 1.00 0.00 H new ATOM 0 HA ALA A 71 8.226 -0.847 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.285 -1.306 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.240 -2.775 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.387 -1.933 2.954 1.00 0.00 H new ATOM 1017 N VAL A 72 8.851 0.562 3.151 1.00 0.00 N ATOM 1018 CA VAL A 72 8.884 1.841 3.849 1.00 0.00 C ATOM 1019 C VAL A 72 9.822 2.822 3.155 1.00 0.00 C ATOM 1020 O VAL A 72 9.464 3.975 2.916 1.00 0.00 O ATOM 1021 CB VAL A 72 9.329 1.671 5.313 1.00 0.00 C ATOM 1022 CG1 VAL A 72 9.446 3.024 5.997 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.361 0.768 6.063 1.00 0.00 C ATOM 0 H VAL A 72 9.250 -0.216 3.677 1.00 0.00 H new ATOM 0 HA VAL A 72 7.869 2.238 3.830 1.00 0.00 H new ATOM 0 HB VAL A 72 10.312 1.200 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.762 2.883 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.182 3.634 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.479 3.526 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.691 0.659 7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.364 1.209 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.333 -0.212 5.586 1.00 0.00 H new ATOM 1033 N GLU A 73 11.025 2.355 2.833 1.00 0.00 N ATOM 1034 CA GLU A 73 12.015 3.192 2.166 1.00 0.00 C ATOM 1035 C GLU A 73 11.443 3.798 0.888 1.00 0.00 C ATOM 1036 O GLU A 73 11.574 4.998 0.643 1.00 0.00 O ATOM 1037 CB GLU A 73 13.268 2.377 1.841 1.00 0.00 C ATOM 1038 CG GLU A 73 13.937 1.774 3.065 1.00 0.00 C ATOM 1039 CD GLU A 73 14.060 2.762 4.209 1.00 0.00 C ATOM 1040 OE1 GLU A 73 14.220 3.970 3.934 1.00 0.00 O ATOM 1041 OE2 GLU A 73 13.996 2.328 5.378 1.00 0.00 O ATOM 0 H GLU A 73 11.337 1.403 3.023 1.00 0.00 H new ATOM 0 HA GLU A 73 12.283 4.003 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.001 1.576 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.984 3.017 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.365 0.908 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.929 1.415 2.792 1.00 0.00 H new ATOM 1048 N LEU A 74 10.808 2.960 0.076 1.00 0.00 N ATOM 1049 CA LEU A 74 10.216 3.412 -1.179 1.00 0.00 C ATOM 1050 C LEU A 74 9.312 4.619 -0.951 1.00 0.00 C ATOM 1051 O LEU A 74 9.496 5.671 -1.565 1.00 0.00 O ATOM 1052 CB LEU A 74 9.417 2.278 -1.825 1.00 0.00 C ATOM 1053 CG LEU A 74 10.155 0.950 -1.995 1.00 0.00 C ATOM 1054 CD1 LEU A 74 9.202 -0.132 -2.478 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.320 1.106 -2.961 1.00 0.00 C ATOM 0 H LEU A 74 10.690 1.964 0.264 1.00 0.00 H new ATOM 0 HA LEU A 74 11.024 3.708 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.525 2.101 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.079 2.611 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 74 10.551 0.651 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.745 -1.070 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.401 -0.263 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.775 0.161 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.833 0.151 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.946 1.429 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.016 1.850 -2.574 1.00 0.00 H new ATOM 1067 N LEU A 75 8.337 4.463 -0.062 1.00 0.00 N ATOM 1068 CA LEU A 75 7.406 5.541 0.250 1.00 0.00 C ATOM 1069 C LEU A 75 8.150 6.851 0.491 1.00 0.00 C ATOM 1070 O LEU A 75 7.839 7.875 -0.116 1.00 0.00 O ATOM 1071 CB LEU A 75 6.571 5.181 1.480 1.00 0.00 C ATOM 1072 CG LEU A 75 5.464 4.149 1.262 1.00 0.00 C ATOM 1073 CD1 LEU A 75 5.106 3.466 2.572 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.237 4.805 0.647 1.00 0.00 C ATOM 0 H LEU A 75 8.171 3.600 0.455 1.00 0.00 H new ATOM 0 HA LEU A 75 6.743 5.674 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.242 4.806 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.118 6.094 1.866 1.00 0.00 H new ATOM 0 HG LEU A 75 5.831 3.391 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.317 2.735 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.986 2.962 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.759 4.211 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.459 4.056 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.868 5.584 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.503 5.246 -0.313 1.00 0.00 H new ATOM 1086 N LYS A 76 9.136 6.809 1.381 1.00 0.00 N ATOM 1087 CA LYS A 76 9.928 7.991 1.701 1.00 0.00 C ATOM 1088 C LYS A 76 10.663 8.504 0.467 1.00 0.00 C ATOM 1089 O LYS A 76 10.715 9.709 0.220 1.00 0.00 O ATOM 1090 CB LYS A 76 10.933 7.671 2.810 1.00 0.00 C ATOM 1091 CG LYS A 76 10.298 7.073 4.053 1.00 0.00 C ATOM 1092 CD LYS A 76 11.308 6.288 4.873 1.00 0.00 C ATOM 1093 CE LYS A 76 12.076 7.192 5.825 1.00 0.00 C ATOM 1094 NZ LYS A 76 13.411 6.630 6.168 1.00 0.00 N ATOM 0 H LYS A 76 9.406 5.969 1.893 1.00 0.00 H new ATOM 0 HA LYS A 76 9.249 8.770 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.679 6.976 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.460 8.584 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.872 7.869 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.476 6.419 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.793 5.513 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.007 5.783 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.202 8.175 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.497 7.334 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.903 7.276 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.291 5.703 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.974 6.518 5.301 1.00 0.00 H new ATOM 1108 N ALA A 77 11.228 7.582 -0.306 1.00 0.00 N ATOM 1109 CA ALA A 77 11.956 7.942 -1.516 1.00 0.00 C ATOM 1110 C ALA A 77 11.116 8.843 -2.415 1.00 0.00 C ATOM 1111 O ALA A 77 11.607 9.842 -2.941 1.00 0.00 O ATOM 1112 CB ALA A 77 12.380 6.690 -2.269 1.00 0.00 C ATOM 0 H ALA A 77 11.195 6.580 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 77 12.848 8.496 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.923 6.974 -3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.025 6.084 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.496 6.114 -2.544 1.00 0.00 H new ATOM 1118 N ALA A 78 9.849 8.483 -2.588 1.00 0.00 N ATOM 1119 CA ALA A 78 8.941 9.260 -3.422 1.00 0.00 C ATOM 1120 C ALA A 78 8.797 10.684 -2.898 1.00 0.00 C ATOM 1121 O ALA A 78 8.627 10.899 -1.698 1.00 0.00 O ATOM 1122 CB ALA A 78 7.580 8.582 -3.495 1.00 0.00 C ATOM 0 H ALA A 78 9.428 7.658 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 78 9.363 9.311 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.912 9.173 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.692 7.586 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.160 8.500 -2.493 1.00 0.00 H new ATOM 1128 N GLN A 79 8.867 11.654 -3.805 1.00 0.00 N ATOM 1129 CA GLN A 79 8.746 13.058 -3.432 1.00 0.00 C ATOM 1130 C GLN A 79 7.505 13.683 -4.062 1.00 0.00 C ATOM 1131 O GLN A 79 6.854 14.536 -3.460 1.00 0.00 O ATOM 1132 CB GLN A 79 9.994 13.831 -3.861 1.00 0.00 C ATOM 1133 CG GLN A 79 11.069 13.895 -2.787 1.00 0.00 C ATOM 1134 CD GLN A 79 11.952 15.120 -2.917 1.00 0.00 C ATOM 1135 OE1 GLN A 79 11.814 15.901 -3.858 1.00 0.00 O ATOM 1136 NE2 GLN A 79 12.867 15.294 -1.970 1.00 0.00 N ATOM 0 H GLN A 79 9.007 11.493 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 79 8.648 13.113 -2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.411 13.365 -4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.706 14.846 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.596 13.895 -1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.687 12.999 -2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.946 14.621 -1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.490 16.101 -2.005 1.00 0.00 H new ATOM 1145 N GLY A 80 7.184 13.253 -5.279 1.00 0.00 N ATOM 1146 CA GLY A 80 6.023 13.782 -5.970 1.00 0.00 C ATOM 1147 C GLY A 80 4.769 12.976 -5.697 1.00 0.00 C ATOM 1148 O GLY A 80 3.766 13.515 -5.230 1.00 0.00 O ATOM 0 H GLY A 80 7.707 12.548 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.861 14.815 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.217 13.795 -7.043 1.00 0.00 H new ATOM 1152 N SER A 81 4.824 11.681 -5.991 1.00 0.00 N ATOM 1153 CA SER A 81 3.682 10.800 -5.779 1.00 0.00 C ATOM 1154 C SER A 81 4.132 9.348 -5.649 1.00 0.00 C ATOM 1155 O SER A 81 5.206 8.974 -6.120 1.00 0.00 O ATOM 1156 CB SER A 81 2.686 10.935 -6.933 1.00 0.00 C ATOM 1157 OG SER A 81 3.257 10.495 -8.153 1.00 0.00 O ATOM 0 H SER A 81 5.647 11.219 -6.377 1.00 0.00 H new ATOM 0 HA SER A 81 3.194 11.096 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.791 10.352 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.373 11.975 -7.028 1.00 0.00 H new ATOM 0 HG SER A 81 2.600 10.590 -8.874 1.00 0.00 H new ATOM 1163 N VAL A 82 3.303 8.533 -5.004 1.00 0.00 N ATOM 1164 CA VAL A 82 3.614 7.122 -4.811 1.00 0.00 C ATOM 1165 C VAL A 82 2.597 6.233 -5.520 1.00 0.00 C ATOM 1166 O VAL A 82 1.403 6.533 -5.543 1.00 0.00 O ATOM 1167 CB VAL A 82 3.646 6.754 -3.316 1.00 0.00 C ATOM 1168 CG1 VAL A 82 4.843 7.398 -2.633 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.349 7.167 -2.638 1.00 0.00 C ATOM 0 H VAL A 82 2.411 8.826 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 82 4.602 6.954 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 82 3.747 5.672 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.849 7.127 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.762 7.048 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.777 8.482 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.389 6.899 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.215 8.244 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.512 6.654 -3.111 1.00 0.00 H new ATOM 1179 N LYS A 83 3.079 5.138 -6.098 1.00 0.00 N ATOM 1180 CA LYS A 83 2.214 4.203 -6.807 1.00 0.00 C ATOM 1181 C LYS A 83 2.086 2.891 -6.040 1.00 0.00 C ATOM 1182 O LYS A 83 3.023 2.092 -5.997 1.00 0.00 O ATOM 1183 CB LYS A 83 2.760 3.935 -8.211 1.00 0.00 C ATOM 1184 CG LYS A 83 1.695 3.508 -9.207 1.00 0.00 C ATOM 1185 CD LYS A 83 2.265 3.371 -10.609 1.00 0.00 C ATOM 1186 CE LYS A 83 3.067 2.088 -10.762 1.00 0.00 C ATOM 1187 NZ LYS A 83 3.680 1.975 -12.114 1.00 0.00 N ATOM 0 H LYS A 83 4.065 4.876 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 83 1.225 4.653 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.250 4.836 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.523 3.159 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.263 2.557 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.886 4.239 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.453 3.382 -11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.902 4.228 -10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.850 2.057 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.418 1.231 -10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.218 1.087 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.931 1.979 -12.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.319 2.780 -12.274 1.00 0.00 H new ATOM 1201 N LEU A 84 0.923 2.673 -5.437 1.00 0.00 N ATOM 1202 CA LEU A 84 0.673 1.456 -4.672 1.00 0.00 C ATOM 1203 C LEU A 84 -0.194 0.484 -5.465 1.00 0.00 C ATOM 1204 O LEU A 84 -1.373 0.744 -5.710 1.00 0.00 O ATOM 1205 CB LEU A 84 -0.005 1.795 -3.344 1.00 0.00 C ATOM 1206 CG LEU A 84 0.678 2.869 -2.496 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -0.283 3.417 -1.453 1.00 0.00 C ATOM 1208 CD2 LEU A 84 1.928 2.310 -1.832 1.00 0.00 C ATOM 0 H LEU A 84 0.138 3.323 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 84 1.632 0.979 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.025 2.119 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.075 0.883 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 84 0.975 3.688 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.221 4.180 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.148 3.856 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.612 2.608 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.401 3.088 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.655 1.473 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.625 1.968 -2.597 1.00 0.00 H new ATOM 1220 N VAL A 85 0.396 -0.639 -5.862 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.324 -1.653 -6.625 1.00 0.00 C ATOM 1222 C VAL A 85 -0.759 -2.807 -5.729 1.00 0.00 C ATOM 1223 O VAL A 85 0.018 -3.302 -4.913 1.00 0.00 O ATOM 1224 CB VAL A 85 0.538 -2.206 -7.775 1.00 0.00 C ATOM 1225 CG1 VAL A 85 -0.227 -3.265 -8.554 1.00 0.00 C ATOM 1226 CG2 VAL A 85 0.988 -1.080 -8.693 1.00 0.00 C ATOM 0 H VAL A 85 1.370 -0.870 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.207 -1.169 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 85 1.426 -2.673 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.398 -3.644 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.495 -4.085 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.133 -2.826 -8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.596 -1.489 -9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.114 -0.582 -9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.577 -0.360 -8.124 1.00 0.00 H new ATOM 1236 N VAL A 86 -2.008 -3.233 -5.888 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.548 -4.331 -5.096 1.00 0.00 C ATOM 1238 C VAL A 86 -3.195 -5.386 -5.986 1.00 0.00 C ATOM 1239 O VAL A 86 -3.414 -5.159 -7.176 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.588 -3.830 -4.076 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.942 -2.880 -3.078 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.751 -3.156 -4.788 1.00 0.00 C ATOM 0 H VAL A 86 -2.665 -2.834 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.709 -4.776 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.976 -4.688 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.692 -2.536 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.145 -3.399 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.526 -2.023 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.476 -2.808 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.382 -2.307 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.229 -3.869 -5.459 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.498 -6.541 -5.402 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.119 -7.632 -6.143 1.00 0.00 C ATOM 1254 C ARG A 87 -5.572 -7.822 -5.715 1.00 0.00 C ATOM 1255 O ARG A 87 -5.868 -7.941 -4.526 1.00 0.00 O ATOM 1256 CB ARG A 87 -3.339 -8.930 -5.931 1.00 0.00 C ATOM 1257 CG ARG A 87 -3.571 -9.965 -7.019 1.00 0.00 C ATOM 1258 CD ARG A 87 -3.017 -11.325 -6.622 1.00 0.00 C ATOM 1259 NE ARG A 87 -4.009 -12.135 -5.919 1.00 0.00 N ATOM 1260 CZ ARG A 87 -4.913 -12.888 -6.535 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -4.951 -12.934 -7.860 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -5.782 -13.597 -5.826 1.00 0.00 N ATOM 0 H ARG A 87 -3.323 -6.745 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.101 -7.375 -7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.275 -8.700 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.618 -9.358 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.639 -10.050 -7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.098 -9.634 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.682 -11.855 -7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.143 -11.189 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.007 -12.121 -4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.285 -12.390 -8.408 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.646 -13.513 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.756 -13.564 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.476 -14.175 -6.300 1.00 0.00 H new