USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HE2:sc= 0.232 K(o=0.23,f=-0.92) USER MOD Single : A 11 HIS : no HD1:sc= -0.04 X(o=-0.04,f=0.00052) USER MOD Single : A 21 GLN : amide:sc= -1.45! K(o=-1.4!,f=-0.46) USER MOD Single : A 24 ASN : amide:sc= -2.7! K(o=-2.7!,f=-1) USER MOD Single : A 26 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.058) USER MOD Single : A 29 TYR OH : rot -8:sc= 0.482 USER MOD Single : A 33 GLN : amide:sc= -0.712 K(o=-0.71,f=-2.4!) USER MOD Single : A 34 ASN : amide:sc= -0.28 K(o=-0.28,f=-5.6!) USER MOD Single : A 37 SER OG : rot -35:sc= 0.457 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.242 K(o=0.24,f=-1.4) USER MOD Single : A 45 MET CE :methyl -116:sc= -0.538 (180deg=-0.683) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.262) USER MOD Single : A 55 SER OG : rot 40:sc= 0.148 USER MOD Single : A 57 SER OG : rot 38:sc= 0.127 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 67 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.61) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 104:sc= 0.939 USER MOD Single : A 77 GLN : amide:sc= -0.95 K(o=-0.95,f=-2.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -0.416 K(o=-0.42,f=-1.8) USER MOD Single : A 95 TYR OH : rot -2:sc= 0.0353 USER MOD Single : A 98 MET CE :methyl 179:sc= -0.446 (180deg=-0.46) USER MOD Single : A 105 LYS NZ :NH3+ 162:sc= 0.875 (180deg=0.647) USER MOD Single : A 107 HIS : no HD1:sc=-0.00679 X(o=-0.0068,f=-0.0068) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -6.031 10.217 -2.449 1.00 0.00 N ATOM 63 CA PHE A 5 -4.784 9.834 -1.786 1.00 0.00 C ATOM 64 C PHE A 5 -4.467 10.840 -0.667 1.00 0.00 C ATOM 65 O PHE A 5 -4.658 12.053 -0.826 1.00 0.00 O ATOM 66 CB PHE A 5 -3.611 9.751 -2.793 1.00 0.00 C ATOM 67 CG PHE A 5 -2.297 9.336 -2.138 1.00 0.00 C ATOM 68 CD1 PHE A 5 -2.090 8.019 -1.734 1.00 0.00 C ATOM 69 CD2 PHE A 5 -1.297 10.266 -1.881 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.927 7.651 -1.100 1.00 0.00 C ATOM 71 CE2 PHE A 5 -0.139 9.893 -1.254 1.00 0.00 C ATOM 72 CZ PHE A 5 0.049 8.590 -0.864 1.00 0.00 C ATOM 0 HA PHE A 5 -4.912 8.842 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.862 9.037 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.482 10.721 -3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.853 7.278 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.435 11.295 -2.179 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.781 6.627 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.630 10.627 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.966 8.302 -0.371 1.00 0.00 H new ATOM 82 N GLU A 6 -4.001 10.305 0.457 1.00 0.00 N ATOM 83 CA GLU A 6 -3.518 11.068 1.613 1.00 0.00 C ATOM 84 C GLU A 6 -2.278 10.343 2.196 1.00 0.00 C ATOM 85 O GLU A 6 -2.049 9.165 1.879 1.00 0.00 O ATOM 86 CB GLU A 6 -4.660 11.182 2.665 1.00 0.00 C ATOM 87 CG GLU A 6 -5.165 9.828 3.188 1.00 0.00 C ATOM 88 CD GLU A 6 -6.307 9.938 4.203 1.00 0.00 C ATOM 89 OE1 GLU A 6 -6.035 10.284 5.373 1.00 0.00 O ATOM 90 OE2 GLU A 6 -7.474 9.671 3.842 1.00 0.00 O ATOM 0 H GLU A 6 -3.945 9.296 0.597 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.228 12.078 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.306 11.776 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.496 11.723 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.500 9.226 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.333 9.295 3.649 1.00 0.00 H new ATOM 97 N PRO A 7 -1.424 11.027 3.014 1.00 0.00 N ATOM 98 CA PRO A 7 -0.317 10.353 3.725 1.00 0.00 C ATOM 99 C PRO A 7 -0.846 9.289 4.721 1.00 0.00 C ATOM 100 O PRO A 7 -1.479 9.633 5.727 1.00 0.00 O ATOM 101 CB PRO A 7 0.415 11.510 4.460 1.00 0.00 C ATOM 102 CG PRO A 7 -0.027 12.765 3.755 1.00 0.00 C ATOM 103 CD PRO A 7 -1.429 12.492 3.267 1.00 0.00 C ATOM 0 HA PRO A 7 0.341 9.806 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.148 11.537 5.517 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.497 11.388 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.008 13.620 4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.637 13.001 2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.175 12.769 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.657 13.056 2.362 1.00 0.00 H new ATOM 111 N GLY A 8 -0.627 8.005 4.401 1.00 0.00 N ATOM 112 CA GLY A 8 -1.034 6.886 5.267 1.00 0.00 C ATOM 113 C GLY A 8 -2.201 6.069 4.715 1.00 0.00 C ATOM 114 O GLY A 8 -2.460 4.961 5.205 1.00 0.00 O ATOM 0 H GLY A 8 -0.165 7.713 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.180 6.226 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.309 7.278 6.246 1.00 0.00 H new ATOM 118 N HIS A 9 -2.907 6.600 3.687 1.00 0.00 N ATOM 119 CA HIS A 9 -4.118 5.950 3.129 1.00 0.00 C ATOM 120 C HIS A 9 -4.374 6.362 1.659 1.00 0.00 C ATOM 121 O HIS A 9 -4.081 7.477 1.259 1.00 0.00 O ATOM 122 CB HIS A 9 -5.347 6.284 4.024 1.00 0.00 C ATOM 123 CG HIS A 9 -6.684 5.869 3.464 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.575 6.770 2.926 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.263 4.651 3.331 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.633 6.133 2.488 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.477 4.842 2.719 1.00 0.00 N ATOM 0 H HIS A 9 -2.659 7.476 3.228 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.956 4.872 3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.212 5.802 4.992 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.364 7.359 4.202 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.433 7.779 2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.847 3.706 3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.491 6.588 2.016 1.00 0.00 H new ATOM 136 N LEU A 10 -4.925 5.426 0.869 1.00 0.00 N ATOM 137 CA LEU A 10 -5.361 5.653 -0.517 1.00 0.00 C ATOM 138 C LEU A 10 -6.733 4.985 -0.728 1.00 0.00 C ATOM 139 O LEU A 10 -6.913 3.816 -0.391 1.00 0.00 O ATOM 140 CB LEU A 10 -4.310 5.066 -1.505 1.00 0.00 C ATOM 141 CG LEU A 10 -4.703 5.015 -3.024 1.00 0.00 C ATOM 142 CD1 LEU A 10 -5.081 6.413 -3.579 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.566 4.374 -3.858 1.00 0.00 C ATOM 0 H LEU A 10 -5.083 4.469 1.184 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.450 6.723 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.395 5.652 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.073 4.052 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.592 4.391 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.345 6.327 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.931 6.808 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.232 7.089 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.856 4.347 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.657 4.965 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.384 3.359 -3.506 1.00 0.00 H new ATOM 155 N HIS A 11 -7.701 5.743 -1.263 1.00 0.00 N ATOM 156 CA HIS A 11 -9.008 5.203 -1.674 1.00 0.00 C ATOM 157 C HIS A 11 -9.012 4.995 -3.194 1.00 0.00 C ATOM 158 O HIS A 11 -8.727 5.929 -3.953 1.00 0.00 O ATOM 159 CB HIS A 11 -10.170 6.147 -1.257 1.00 0.00 C ATOM 160 CG HIS A 11 -11.541 5.704 -1.742 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.503 6.581 -2.180 1.00 0.00 N ATOM 162 CD2 HIS A 11 -12.092 4.465 -1.873 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.572 5.915 -2.558 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.352 4.629 -2.384 1.00 0.00 N ATOM 0 H HIS A 11 -7.602 6.745 -1.423 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.164 4.249 -1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -10.189 6.222 -0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.967 7.146 -1.642 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.622 3.526 -1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.480 6.351 -2.947 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.011 3.879 -2.595 1.00 0.00 H new ATOM 173 N LEU A 12 -9.335 3.764 -3.625 1.00 0.00 N ATOM 174 CA LEU A 12 -9.526 3.432 -5.039 1.00 0.00 C ATOM 175 C LEU A 12 -11.016 3.224 -5.330 1.00 0.00 C ATOM 176 O LEU A 12 -11.730 2.585 -4.558 1.00 0.00 O ATOM 177 CB LEU A 12 -8.736 2.156 -5.429 1.00 0.00 C ATOM 178 CG LEU A 12 -7.186 2.238 -5.273 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.516 0.916 -5.718 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.613 3.453 -6.044 1.00 0.00 C ATOM 0 H LEU A 12 -9.470 2.972 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.148 4.264 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.099 1.328 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.965 1.914 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.959 2.384 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.436 0.998 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.887 0.095 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.753 0.722 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.531 3.486 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.853 3.358 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.052 4.371 -5.654 1.00 0.00 H new ATOM 192 N VAL A 13 -11.451 3.814 -6.428 1.00 0.00 N ATOM 193 CA VAL A 13 -12.762 3.595 -7.057 1.00 0.00 C ATOM 194 C VAL A 13 -12.538 3.792 -8.562 1.00 0.00 C ATOM 195 O VAL A 13 -11.474 4.315 -8.954 1.00 0.00 O ATOM 196 CB VAL A 13 -13.847 4.601 -6.501 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.484 6.065 -6.833 1.00 0.00 C ATOM 198 CG2 VAL A 13 -15.280 4.257 -6.991 1.00 0.00 C ATOM 0 H VAL A 13 -10.883 4.491 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.145 2.598 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.845 4.490 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.252 6.729 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.522 6.312 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.422 6.188 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.988 4.978 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.312 4.297 -8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.548 3.255 -6.657 1.00 0.00 H new ATOM 307 N GLN A 21 -17.340 0.755 -12.613 1.00 0.00 N ATOM 308 CA GLN A 21 -17.486 -0.498 -11.863 1.00 0.00 C ATOM 309 C GLN A 21 -17.690 -0.157 -10.389 1.00 0.00 C ATOM 310 O GLN A 21 -17.232 0.892 -9.918 1.00 0.00 O ATOM 311 CB GLN A 21 -16.255 -1.433 -12.053 1.00 0.00 C ATOM 312 CG GLN A 21 -16.553 -2.931 -11.813 1.00 0.00 C ATOM 313 CD GLN A 21 -15.324 -3.841 -11.903 1.00 0.00 C ATOM 314 OE1 GLN A 21 -14.343 -3.541 -12.587 1.00 0.00 O ATOM 315 NE2 GLN A 21 -15.381 -4.976 -11.230 1.00 0.00 N ATOM 0 HA GLN A 21 -18.350 -1.043 -12.243 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.871 -1.308 -13.066 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.465 -1.118 -11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.004 -3.046 -10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -17.291 -3.264 -12.543 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.206 -5.197 -10.672 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.600 -5.631 -11.268 1.00 0.00 H new ATOM 324 N ASP A 22 -18.339 -1.072 -9.658 1.00 0.00 N ATOM 325 CA ASP A 22 -18.756 -0.870 -8.254 1.00 0.00 C ATOM 326 C ASP A 22 -17.599 -1.233 -7.278 1.00 0.00 C ATOM 327 O ASP A 22 -17.789 -1.839 -6.224 1.00 0.00 O ATOM 328 CB ASP A 22 -20.054 -1.724 -8.051 1.00 0.00 C ATOM 329 CG ASP A 22 -20.711 -1.637 -6.662 1.00 0.00 C ATOM 330 OD1 ASP A 22 -20.922 -0.517 -6.156 1.00 0.00 O ATOM 331 OD2 ASP A 22 -21.023 -2.691 -6.073 1.00 0.00 O ATOM 0 H ASP A 22 -18.595 -1.988 -10.025 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.981 0.174 -8.034 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.787 -1.417 -8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.813 -2.768 -8.252 1.00 0.00 H new ATOM 336 N ILE A 23 -16.384 -0.804 -7.645 1.00 0.00 N ATOM 337 CA ILE A 23 -15.162 -1.078 -6.881 1.00 0.00 C ATOM 338 C ILE A 23 -14.919 0.027 -5.844 1.00 0.00 C ATOM 339 O ILE A 23 -15.174 1.201 -6.107 1.00 0.00 O ATOM 340 CB ILE A 23 -13.904 -1.214 -7.818 1.00 0.00 C ATOM 341 CG1 ILE A 23 -13.594 0.111 -8.589 1.00 0.00 C ATOM 342 CG2 ILE A 23 -14.099 -2.383 -8.814 1.00 0.00 C ATOM 343 CD1 ILE A 23 -12.236 0.135 -9.269 1.00 0.00 C ATOM 0 H ILE A 23 -16.222 -0.253 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.306 -2.030 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.046 -1.425 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.367 0.269 -9.341 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.653 0.946 -7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.221 -2.465 -9.455 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -14.233 -3.313 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.980 -2.195 -9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.102 1.088 -9.780 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.453 0.011 -8.521 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.178 -0.677 -9.994 1.00 0.00 H new ATOM 355 N ASN A 24 -14.478 -0.375 -4.652 1.00 0.00 N ATOM 356 CA ASN A 24 -14.033 0.544 -3.598 1.00 0.00 C ATOM 357 C ASN A 24 -13.017 -0.177 -2.715 1.00 0.00 C ATOM 358 O ASN A 24 -13.280 -1.273 -2.199 1.00 0.00 O ATOM 359 CB ASN A 24 -15.219 1.107 -2.782 1.00 0.00 C ATOM 360 CG ASN A 24 -16.118 0.038 -2.172 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.933 -0.374 -1.027 1.00 0.00 O ATOM 362 ND2 ASN A 24 -17.079 -0.437 -2.950 1.00 0.00 N ATOM 0 H ASN A 24 -14.418 -1.358 -4.386 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.555 1.410 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.829 1.738 -1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.820 1.746 -3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.698 -1.171 -2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.200 -0.069 -3.894 1.00 0.00 H new ATOM 369 N ILE A 25 -11.837 0.435 -2.577 1.00 0.00 N ATOM 370 CA ILE A 25 -10.683 -0.174 -1.913 1.00 0.00 C ATOM 371 C ILE A 25 -10.085 0.828 -0.927 1.00 0.00 C ATOM 372 O ILE A 25 -9.892 2.004 -1.258 1.00 0.00 O ATOM 373 CB ILE A 25 -9.573 -0.608 -2.940 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.187 -1.478 -4.089 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.420 -1.359 -2.219 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.199 -1.971 -5.116 1.00 0.00 C ATOM 0 H ILE A 25 -11.655 1.376 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.030 -1.068 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.154 0.291 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.686 -2.339 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.954 -0.893 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.664 -1.650 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.971 -0.705 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.815 -2.250 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.721 -2.563 -5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.717 -1.119 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.444 -2.588 -4.628 1.00 0.00 H new ATOM 388 N HIS A 26 -9.819 0.350 0.285 1.00 0.00 N ATOM 389 CA HIS A 26 -9.185 1.127 1.343 1.00 0.00 C ATOM 390 C HIS A 26 -7.761 0.586 1.506 1.00 0.00 C ATOM 391 O HIS A 26 -7.591 -0.531 1.976 1.00 0.00 O ATOM 392 CB HIS A 26 -9.968 0.957 2.675 1.00 0.00 C ATOM 393 CG HIS A 26 -11.450 1.272 2.644 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.119 1.794 3.725 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.395 1.117 1.681 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.387 1.940 3.429 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.584 1.538 2.197 1.00 0.00 N ATOM 0 H HIS A 26 -10.042 -0.605 0.563 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.175 2.187 1.090 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.847 -0.073 3.011 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.501 1.594 3.426 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -12.233 0.730 0.686 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.146 2.328 4.092 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.478 1.540 1.706 1.00 0.00 H new ATOM 406 N ILE A 27 -6.750 1.365 1.108 1.00 0.00 N ATOM 407 CA ILE A 27 -5.336 0.963 1.214 1.00 0.00 C ATOM 408 C ILE A 27 -4.716 1.741 2.377 1.00 0.00 C ATOM 409 O ILE A 27 -4.529 2.948 2.292 1.00 0.00 O ATOM 410 CB ILE A 27 -4.535 1.234 -0.122 1.00 0.00 C ATOM 411 CG1 ILE A 27 -5.163 0.429 -1.310 1.00 0.00 C ATOM 412 CG2 ILE A 27 -3.023 0.897 0.042 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.462 0.604 -2.650 1.00 0.00 C ATOM 0 H ILE A 27 -6.884 2.292 0.703 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.282 -0.111 1.391 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.609 2.298 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.161 -0.630 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.205 0.728 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.502 1.095 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.596 1.515 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.911 -0.155 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.971 0.008 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.486 1.655 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.426 0.275 -2.564 1.00 0.00 H new ATOM 425 N ARG A 28 -4.441 1.036 3.465 1.00 0.00 N ATOM 426 CA ARG A 28 -3.842 1.594 4.671 1.00 0.00 C ATOM 427 C ARG A 28 -2.369 1.197 4.688 1.00 0.00 C ATOM 428 O ARG A 28 -2.057 0.015 4.862 1.00 0.00 O ATOM 429 CB ARG A 28 -4.556 1.018 5.923 1.00 0.00 C ATOM 430 CG ARG A 28 -6.091 1.202 5.940 1.00 0.00 C ATOM 431 CD ARG A 28 -6.739 0.517 7.155 1.00 0.00 C ATOM 432 NE ARG A 28 -6.207 1.023 8.439 1.00 0.00 N ATOM 433 CZ ARG A 28 -6.394 0.442 9.637 1.00 0.00 C ATOM 434 NH1 ARG A 28 -7.148 -0.648 9.760 1.00 0.00 N ATOM 435 NH2 ARG A 28 -5.840 0.965 10.720 1.00 0.00 N ATOM 0 H ARG A 28 -4.632 0.037 3.536 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.943 2.679 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.332 -0.046 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.138 1.491 6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.329 2.266 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.516 0.792 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.817 0.674 7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.572 -0.558 7.094 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.655 1.880 8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.594 -1.055 8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.280 -1.076 10.676 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.271 1.809 10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.982 0.524 11.629 1.00 0.00 H new ATOM 449 N TYR A 29 -1.464 2.160 4.487 1.00 0.00 N ATOM 450 CA TYR A 29 -0.021 1.905 4.574 1.00 0.00 C ATOM 451 C TYR A 29 0.531 2.730 5.748 1.00 0.00 C ATOM 452 O TYR A 29 0.418 3.961 5.770 1.00 0.00 O ATOM 453 CB TYR A 29 0.705 2.183 3.216 1.00 0.00 C ATOM 454 CG TYR A 29 0.884 3.653 2.802 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.153 4.380 2.211 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.104 4.314 3.011 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.020 5.707 1.853 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.275 5.635 2.659 1.00 0.00 C ATOM 459 CZ TYR A 29 1.237 6.327 2.079 1.00 0.00 C ATOM 460 OH TYR A 29 1.414 7.653 1.744 1.00 0.00 O ATOM 0 H TYR A 29 -1.705 3.125 4.262 1.00 0.00 H new ATOM 0 HA TYR A 29 0.169 0.849 4.768 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.692 1.722 3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.151 1.675 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.104 3.900 2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.927 3.776 3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.792 6.256 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.220 6.125 2.838 1.00 0.00 H new ATOM 0 HH TYR A 29 0.634 7.971 1.243 1.00 0.00 H new ATOM 470 N GLU A 30 1.077 2.036 6.755 1.00 0.00 N ATOM 471 CA GLU A 30 1.566 2.664 7.990 1.00 0.00 C ATOM 472 C GLU A 30 3.011 2.231 8.232 1.00 0.00 C ATOM 473 O GLU A 30 3.279 1.047 8.470 1.00 0.00 O ATOM 474 CB GLU A 30 0.673 2.270 9.203 1.00 0.00 C ATOM 475 CG GLU A 30 -0.830 2.599 9.031 1.00 0.00 C ATOM 476 CD GLU A 30 -1.646 2.496 10.332 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.519 1.483 11.048 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.412 3.435 10.646 1.00 0.00 O ATOM 0 H GLU A 30 1.192 1.023 6.737 1.00 0.00 H new ATOM 0 HA GLU A 30 1.522 3.748 7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.779 1.200 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.044 2.781 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.927 3.609 8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.257 1.922 8.292 1.00 0.00 H new ATOM 485 N VAL A 31 3.935 3.196 8.165 1.00 0.00 N ATOM 486 CA VAL A 31 5.361 2.953 8.390 1.00 0.00 C ATOM 487 C VAL A 31 5.655 2.943 9.905 1.00 0.00 C ATOM 488 O VAL A 31 5.265 3.861 10.638 1.00 0.00 O ATOM 489 CB VAL A 31 6.252 4.008 7.626 1.00 0.00 C ATOM 490 CG1 VAL A 31 5.930 5.465 8.050 1.00 0.00 C ATOM 491 CG2 VAL A 31 7.764 3.697 7.778 1.00 0.00 C ATOM 0 H VAL A 31 3.713 4.169 7.953 1.00 0.00 H new ATOM 0 HA VAL A 31 5.620 1.975 7.984 1.00 0.00 H new ATOM 0 HB VAL A 31 6.002 3.921 6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.568 6.154 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.885 5.685 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.110 5.581 9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.345 4.445 7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.036 3.718 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.975 2.709 7.369 1.00 0.00 H new ATOM 501 N ARG A 32 6.291 1.869 10.368 1.00 0.00 N ATOM 502 CA ARG A 32 6.682 1.695 11.774 1.00 0.00 C ATOM 503 C ARG A 32 8.064 1.027 11.806 1.00 0.00 C ATOM 504 O ARG A 32 8.536 0.543 10.777 1.00 0.00 O ATOM 505 CB ARG A 32 5.631 0.827 12.525 1.00 0.00 C ATOM 506 CG ARG A 32 5.724 0.909 14.070 1.00 0.00 C ATOM 507 CD ARG A 32 5.103 -0.298 14.793 1.00 0.00 C ATOM 508 NE ARG A 32 4.935 -0.050 16.238 1.00 0.00 N ATOM 509 CZ ARG A 32 5.921 0.003 17.154 1.00 0.00 C ATOM 510 NH1 ARG A 32 7.190 -0.243 16.831 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.625 0.297 18.414 1.00 0.00 N ATOM 0 H ARG A 32 6.555 1.083 9.774 1.00 0.00 H new ATOM 0 HA ARG A 32 6.728 2.662 12.275 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.633 1.137 12.216 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.751 -0.213 12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.772 0.994 14.358 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.226 1.818 14.407 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.134 -0.527 14.349 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.736 -1.173 14.646 1.00 0.00 H new ATOM 0 HE ARG A 32 3.983 0.095 16.575 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.435 -0.479 15.869 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.916 -0.196 17.545 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.658 0.480 18.681 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.365 0.340 19.115 1.00 0.00 H new ATOM 525 N GLN A 33 8.729 1.025 12.967 1.00 0.00 N ATOM 526 CA GLN A 33 10.021 0.349 13.144 1.00 0.00 C ATOM 527 C GLN A 33 9.829 -0.893 14.042 1.00 0.00 C ATOM 528 O GLN A 33 9.422 -0.764 15.199 1.00 0.00 O ATOM 529 CB GLN A 33 11.068 1.313 13.782 1.00 0.00 C ATOM 530 CG GLN A 33 11.128 2.745 13.199 1.00 0.00 C ATOM 531 CD GLN A 33 11.493 2.814 11.716 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.663 2.841 11.353 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.501 2.917 10.849 1.00 0.00 N ATOM 0 H GLN A 33 8.389 1.490 13.808 1.00 0.00 H new ATOM 0 HA GLN A 33 10.394 0.041 12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.859 1.387 14.849 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.055 0.861 13.681 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.159 3.223 13.344 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.857 3.324 13.766 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.535 2.892 11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.702 3.022 9.854 1.00 0.00 H new ATOM 542 N ASN A 34 10.094 -2.090 13.489 1.00 0.00 N ATOM 543 CA ASN A 34 10.110 -3.358 14.248 1.00 0.00 C ATOM 544 C ASN A 34 11.539 -3.640 14.758 1.00 0.00 C ATOM 545 O ASN A 34 12.516 -3.143 14.182 1.00 0.00 O ATOM 546 CB ASN A 34 9.592 -4.524 13.361 1.00 0.00 C ATOM 547 CG ASN A 34 10.556 -4.971 12.256 1.00 0.00 C ATOM 548 OD1 ASN A 34 11.234 -5.982 12.392 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.649 -4.206 11.176 1.00 0.00 N ATOM 0 H ASN A 34 10.304 -2.208 12.498 1.00 0.00 H new ATOM 0 HA ASN A 34 9.446 -3.272 15.108 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.374 -5.379 14.001 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.651 -4.222 12.902 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.299 -4.454 10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.071 -3.370 11.092 1.00 0.00 H new ATOM 556 N ALA A 35 11.651 -4.447 15.822 1.00 0.00 N ATOM 557 CA ALA A 35 12.940 -4.733 16.494 1.00 0.00 C ATOM 558 C ALA A 35 13.876 -5.636 15.652 1.00 0.00 C ATOM 559 O ALA A 35 15.095 -5.624 15.853 1.00 0.00 O ATOM 560 CB ALA A 35 12.679 -5.360 17.877 1.00 0.00 C ATOM 0 H ALA A 35 10.855 -4.923 16.246 1.00 0.00 H new ATOM 0 HA ALA A 35 13.460 -3.782 16.613 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.630 -5.569 18.367 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.100 -4.667 18.487 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.122 -6.289 17.756 1.00 0.00 H new ATOM 566 N GLU A 36 13.306 -6.380 14.689 1.00 0.00 N ATOM 567 CA GLU A 36 14.034 -7.419 13.928 1.00 0.00 C ATOM 568 C GLU A 36 14.795 -6.812 12.731 1.00 0.00 C ATOM 569 O GLU A 36 16.007 -6.989 12.595 1.00 0.00 O ATOM 570 CB GLU A 36 13.049 -8.521 13.424 1.00 0.00 C ATOM 571 CG GLU A 36 12.335 -9.338 14.528 1.00 0.00 C ATOM 572 CD GLU A 36 11.395 -8.514 15.430 1.00 0.00 C ATOM 573 OE1 GLU A 36 10.451 -7.880 14.909 1.00 0.00 O ATOM 574 OE2 GLU A 36 11.597 -8.486 16.663 1.00 0.00 O ATOM 0 H GLU A 36 12.329 -6.281 14.414 1.00 0.00 H new ATOM 0 HA GLU A 36 14.762 -7.870 14.603 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.291 -8.047 12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.601 -9.211 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.759 -10.135 14.057 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.089 -9.817 15.153 1.00 0.00 H new ATOM 581 N SER A 37 14.063 -6.066 11.893 1.00 0.00 N ATOM 582 CA SER A 37 14.539 -5.597 10.576 1.00 0.00 C ATOM 583 C SER A 37 14.590 -4.058 10.508 1.00 0.00 C ATOM 584 O SER A 37 14.895 -3.490 9.453 1.00 0.00 O ATOM 585 CB SER A 37 13.606 -6.175 9.476 1.00 0.00 C ATOM 586 OG SER A 37 14.050 -5.857 8.164 1.00 0.00 O ATOM 0 H SER A 37 13.112 -5.766 12.109 1.00 0.00 H new ATOM 0 HA SER A 37 15.558 -5.951 10.416 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.549 -7.258 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.597 -5.787 9.619 1.00 0.00 H new ATOM 0 HG SER A 37 14.457 -4.965 8.163 1.00 0.00 H new ATOM 592 N GLY A 38 14.289 -3.384 11.633 1.00 0.00 N ATOM 593 CA GLY A 38 14.309 -1.924 11.684 1.00 0.00 C ATOM 594 C GLY A 38 13.033 -1.359 11.096 1.00 0.00 C ATOM 595 O GLY A 38 11.952 -1.713 11.547 1.00 0.00 O ATOM 0 H GLY A 38 14.031 -3.832 12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.420 -1.591 12.716 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.170 -1.546 11.133 1.00 0.00 H new ATOM 599 N ALA A 39 13.146 -0.515 10.069 1.00 0.00 N ATOM 600 CA ALA A 39 11.976 0.072 9.390 1.00 0.00 C ATOM 601 C ALA A 39 11.181 -0.983 8.593 1.00 0.00 C ATOM 602 O ALA A 39 11.746 -1.964 8.103 1.00 0.00 O ATOM 603 CB ALA A 39 12.418 1.228 8.479 1.00 0.00 C ATOM 0 H ALA A 39 14.042 -0.217 9.682 1.00 0.00 H new ATOM 0 HA ALA A 39 11.307 0.462 10.157 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.546 1.654 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.906 1.997 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.116 0.854 7.729 1.00 0.00 H new ATOM 609 N TYR A 40 9.862 -0.778 8.525 1.00 0.00 N ATOM 610 CA TYR A 40 8.955 -1.525 7.622 1.00 0.00 C ATOM 611 C TYR A 40 7.686 -0.698 7.394 1.00 0.00 C ATOM 612 O TYR A 40 7.467 0.316 8.070 1.00 0.00 O ATOM 613 CB TYR A 40 8.582 -2.936 8.191 1.00 0.00 C ATOM 614 CG TYR A 40 7.541 -2.949 9.335 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.881 -2.531 10.621 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.217 -3.380 9.127 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.960 -2.540 11.648 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.297 -3.382 10.157 1.00 0.00 C ATOM 619 CZ TYR A 40 5.674 -2.962 11.413 1.00 0.00 C ATOM 620 OH TYR A 40 4.764 -2.982 12.444 1.00 0.00 O ATOM 0 H TYR A 40 9.381 -0.084 9.097 1.00 0.00 H new ATOM 0 HA TYR A 40 9.476 -1.689 6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.202 -3.547 7.373 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.493 -3.414 8.550 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.888 -2.193 10.817 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.916 -3.715 8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.250 -2.215 12.636 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.284 -3.712 9.978 1.00 0.00 H new ATOM 0 HH TYR A 40 3.900 -3.305 12.112 1.00 0.00 H new ATOM 630 N VAL A 41 6.840 -1.137 6.448 1.00 0.00 N ATOM 631 CA VAL A 41 5.499 -0.560 6.250 1.00 0.00 C ATOM 632 C VAL A 41 4.464 -1.702 6.251 1.00 0.00 C ATOM 633 O VAL A 41 4.651 -2.721 5.565 1.00 0.00 O ATOM 634 CB VAL A 41 5.381 0.272 4.915 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.021 1.014 4.829 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.554 1.271 4.748 1.00 0.00 C ATOM 0 H VAL A 41 7.063 -1.895 5.803 1.00 0.00 H new ATOM 0 HA VAL A 41 5.311 0.136 7.068 1.00 0.00 H new ATOM 0 HB VAL A 41 5.435 -0.443 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.972 1.578 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.208 0.288 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.926 1.698 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.432 1.822 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.559 1.970 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.497 0.725 4.726 1.00 0.00 H new ATOM 646 N HIS A 42 3.397 -1.534 7.050 1.00 0.00 N ATOM 647 CA HIS A 42 2.251 -2.450 7.076 1.00 0.00 C ATOM 648 C HIS A 42 1.245 -1.987 6.018 1.00 0.00 C ATOM 649 O HIS A 42 0.884 -0.814 5.996 1.00 0.00 O ATOM 650 CB HIS A 42 1.582 -2.451 8.486 1.00 0.00 C ATOM 651 CG HIS A 42 0.317 -3.297 8.606 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.286 -4.522 9.232 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.963 -3.078 8.181 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.936 -5.013 9.181 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.711 -4.159 8.550 1.00 0.00 N ATOM 0 H HIS A 42 3.308 -0.752 7.699 1.00 0.00 H new ATOM 0 HA HIS A 42 2.585 -3.465 6.862 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.309 -2.809 9.215 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.339 -1.423 8.756 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.086 -4.980 9.669 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.319 -2.208 7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.249 -5.962 9.591 1.00 0.00 H new ATOM 664 N PHE A 43 0.788 -2.902 5.159 1.00 0.00 N ATOM 665 CA PHE A 43 -0.243 -2.609 4.141 1.00 0.00 C ATOM 666 C PHE A 43 -1.504 -3.426 4.456 1.00 0.00 C ATOM 667 O PHE A 43 -1.416 -4.615 4.789 1.00 0.00 O ATOM 668 CB PHE A 43 0.277 -2.934 2.721 1.00 0.00 C ATOM 669 CG PHE A 43 1.638 -2.309 2.413 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.740 -0.992 1.979 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.818 -3.041 2.572 1.00 0.00 C ATOM 672 CE1 PHE A 43 2.972 -0.425 1.716 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.045 -2.473 2.306 1.00 0.00 C ATOM 674 CZ PHE A 43 4.123 -1.165 1.878 1.00 0.00 C ATOM 0 H PHE A 43 1.117 -3.867 5.144 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.483 -1.546 4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.349 -4.016 2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.449 -2.584 1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.844 -0.404 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.767 -4.066 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.033 0.600 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.947 -3.053 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.085 -0.721 1.670 1.00 0.00 H new ATOM 684 N ASP A 44 -2.665 -2.780 4.378 1.00 0.00 N ATOM 685 CA ASP A 44 -3.964 -3.406 4.655 1.00 0.00 C ATOM 686 C ASP A 44 -4.969 -2.933 3.602 1.00 0.00 C ATOM 687 O ASP A 44 -4.925 -1.780 3.191 1.00 0.00 O ATOM 688 CB ASP A 44 -4.428 -3.030 6.083 1.00 0.00 C ATOM 689 CG ASP A 44 -5.716 -3.751 6.513 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.649 -4.954 6.835 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.796 -3.127 6.541 1.00 0.00 O ATOM 0 H ASP A 44 -2.736 -1.796 4.118 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.884 -4.492 4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.633 -3.268 6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.588 -1.953 6.134 1.00 0.00 H new ATOM 696 N MET A 45 -5.847 -3.830 3.148 1.00 0.00 N ATOM 697 CA MET A 45 -6.831 -3.543 2.093 1.00 0.00 C ATOM 698 C MET A 45 -8.193 -4.105 2.506 1.00 0.00 C ATOM 699 O MET A 45 -8.277 -5.250 2.941 1.00 0.00 O ATOM 700 CB MET A 45 -6.363 -4.141 0.729 1.00 0.00 C ATOM 701 CG MET A 45 -5.086 -3.494 0.154 1.00 0.00 C ATOM 702 SD MET A 45 -4.503 -4.270 -1.370 1.00 0.00 S ATOM 703 CE MET A 45 -5.863 -3.988 -2.501 1.00 0.00 C ATOM 0 H MET A 45 -5.898 -4.785 3.503 1.00 0.00 H new ATOM 0 HA MET A 45 -6.921 -2.464 1.964 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.189 -5.210 0.855 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.169 -4.033 0.003 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.278 -2.438 -0.037 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.295 -3.544 0.902 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.296 -4.944 -2.795 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.624 -3.381 -2.011 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.498 -3.467 -3.386 1.00 0.00 H new ATOM 713 N ASP A 46 -9.251 -3.290 2.391 1.00 0.00 N ATOM 714 CA ASP A 46 -10.630 -3.718 2.711 1.00 0.00 C ATOM 715 C ASP A 46 -11.648 -2.953 1.863 1.00 0.00 C ATOM 716 O ASP A 46 -11.324 -1.923 1.264 1.00 0.00 O ATOM 717 CB ASP A 46 -10.951 -3.539 4.221 1.00 0.00 C ATOM 718 CG ASP A 46 -10.986 -2.065 4.686 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.916 -1.495 4.991 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.092 -1.471 4.759 1.00 0.00 O ATOM 0 H ASP A 46 -9.182 -2.322 2.077 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.701 -4.780 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.916 -3.999 4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.205 -4.076 4.807 1.00 0.00 H new ATOM 725 N GLY A 47 -12.870 -3.491 1.800 1.00 0.00 N ATOM 726 CA GLY A 47 -13.986 -2.835 1.122 1.00 0.00 C ATOM 727 C GLY A 47 -14.895 -3.847 0.448 1.00 0.00 C ATOM 728 O GLY A 47 -15.062 -4.973 0.941 1.00 0.00 O ATOM 0 H GLY A 47 -13.110 -4.390 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.559 -2.251 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.602 -2.136 0.379 1.00 0.00 H new ATOM 732 N GLU A 48 -15.424 -3.459 -0.713 1.00 0.00 N ATOM 733 CA GLU A 48 -16.244 -4.319 -1.578 1.00 0.00 C ATOM 734 C GLU A 48 -15.990 -3.927 -3.036 1.00 0.00 C ATOM 735 O GLU A 48 -15.492 -2.832 -3.305 1.00 0.00 O ATOM 736 CB GLU A 48 -17.764 -4.316 -1.202 1.00 0.00 C ATOM 737 CG GLU A 48 -18.397 -2.946 -0.852 1.00 0.00 C ATOM 738 CD GLU A 48 -18.296 -2.592 0.646 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.088 -3.134 1.446 1.00 0.00 O ATOM 740 OE2 GLU A 48 -17.434 -1.783 1.037 1.00 0.00 O ATOM 0 H GLU A 48 -15.294 -2.520 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.941 -5.355 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.321 -4.744 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.904 -4.982 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.907 -2.167 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -19.446 -2.953 -1.147 1.00 0.00 H new ATOM 747 N ILE A 49 -16.363 -4.798 -3.999 1.00 0.00 N ATOM 748 CA ILE A 49 -15.821 -4.742 -5.369 1.00 0.00 C ATOM 749 C ILE A 49 -16.861 -5.465 -6.237 1.00 0.00 C ATOM 750 O ILE A 49 -16.953 -6.688 -6.163 1.00 0.00 O ATOM 751 CB ILE A 49 -14.383 -5.397 -5.549 1.00 0.00 C ATOM 752 CG1 ILE A 49 -13.260 -4.459 -4.983 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.100 -5.743 -7.045 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.863 -5.046 -4.991 1.00 0.00 C ATOM 0 H ILE A 49 -17.038 -5.548 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.662 -3.702 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.375 -6.326 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.252 -3.537 -5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.517 -4.188 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.109 -6.189 -7.134 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.849 -6.449 -7.403 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.143 -4.833 -7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.161 -4.320 -4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.845 -5.951 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.576 -5.289 -6.014 1.00 0.00 H new ATOM 766 N ASP A 50 -17.661 -4.715 -7.011 1.00 0.00 N ATOM 767 CA ASP A 50 -18.740 -5.282 -7.869 1.00 0.00 C ATOM 768 C ASP A 50 -19.741 -6.160 -7.028 1.00 0.00 C ATOM 769 O ASP A 50 -20.435 -7.034 -7.555 1.00 0.00 O ATOM 770 CB ASP A 50 -18.073 -6.077 -9.045 1.00 0.00 C ATOM 771 CG ASP A 50 -19.040 -6.564 -10.142 1.00 0.00 C ATOM 772 OD1 ASP A 50 -19.673 -5.717 -10.803 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.135 -7.788 -10.383 1.00 0.00 O ATOM 0 H ASP A 50 -17.587 -3.699 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.343 -4.479 -8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.315 -5.443 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.555 -6.942 -8.630 1.00 0.00 H new ATOM 778 N GLY A 51 -19.850 -5.843 -5.718 1.00 0.00 N ATOM 779 CA GLY A 51 -20.633 -6.639 -4.751 1.00 0.00 C ATOM 780 C GLY A 51 -19.861 -7.846 -4.194 1.00 0.00 C ATOM 781 O GLY A 51 -20.378 -8.965 -4.178 1.00 0.00 O ATOM 0 H GLY A 51 -19.397 -5.028 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.937 -5.997 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.545 -6.991 -5.234 1.00 0.00 H new ATOM 785 N LYS A 52 -18.631 -7.588 -3.700 1.00 0.00 N ATOM 786 CA LYS A 52 -17.705 -8.648 -3.189 1.00 0.00 C ATOM 787 C LYS A 52 -16.858 -8.115 -2.006 1.00 0.00 C ATOM 788 O LYS A 52 -15.933 -7.332 -2.238 1.00 0.00 O ATOM 789 CB LYS A 52 -16.765 -9.160 -4.323 1.00 0.00 C ATOM 790 CG LYS A 52 -17.453 -9.998 -5.434 1.00 0.00 C ATOM 791 CD LYS A 52 -16.578 -10.141 -6.703 1.00 0.00 C ATOM 792 CE LYS A 52 -15.175 -10.693 -6.411 1.00 0.00 C ATOM 793 NZ LYS A 52 -14.350 -10.796 -7.633 1.00 0.00 N ATOM 0 H LYS A 52 -18.244 -6.646 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.316 -9.480 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.283 -8.300 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.977 -9.763 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -17.685 -10.989 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.401 -9.530 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.081 -10.800 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.486 -9.167 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.675 -10.046 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.262 -11.677 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.665 -11.571 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.963 -10.987 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.840 -9.902 -7.784 1.00 0.00 H new ATOM 807 N PRO A 53 -17.117 -8.566 -0.732 1.00 0.00 N ATOM 808 CA PRO A 53 -16.384 -8.076 0.459 1.00 0.00 C ATOM 809 C PRO A 53 -15.002 -8.761 0.606 1.00 0.00 C ATOM 810 O PRO A 53 -14.913 -9.994 0.686 1.00 0.00 O ATOM 811 CB PRO A 53 -17.348 -8.433 1.622 1.00 0.00 C ATOM 812 CG PRO A 53 -18.065 -9.673 1.161 1.00 0.00 C ATOM 813 CD PRO A 53 -18.137 -9.590 -0.360 1.00 0.00 C ATOM 0 HA PRO A 53 -16.147 -7.013 0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.801 -8.613 2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -18.048 -7.621 1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.531 -10.570 1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.064 -9.728 1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -17.917 -10.553 -0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.132 -9.297 -0.694 1.00 0.00 H new ATOM 821 N PHE A 54 -13.922 -7.963 0.616 1.00 0.00 N ATOM 822 CA PHE A 54 -12.536 -8.485 0.708 1.00 0.00 C ATOM 823 C PHE A 54 -11.789 -7.836 1.881 1.00 0.00 C ATOM 824 O PHE A 54 -12.002 -6.658 2.182 1.00 0.00 O ATOM 825 CB PHE A 54 -11.764 -8.250 -0.628 1.00 0.00 C ATOM 826 CG PHE A 54 -11.386 -6.793 -0.929 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.360 -5.855 -1.259 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.055 -6.366 -0.874 1.00 0.00 C ATOM 829 CE1 PHE A 54 -12.020 -4.543 -1.518 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.719 -5.056 -1.139 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.702 -4.146 -1.458 1.00 0.00 C ATOM 0 H PHE A 54 -13.976 -6.946 0.561 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.591 -9.559 0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.852 -8.847 -0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.374 -8.625 -1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.395 -6.158 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.279 -7.073 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.788 -3.826 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.686 -4.744 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.439 -3.118 -1.662 1.00 0.00 H new ATOM 841 N SER A 55 -10.937 -8.628 2.547 1.00 0.00 N ATOM 842 CA SER A 55 -10.017 -8.135 3.578 1.00 0.00 C ATOM 843 C SER A 55 -8.657 -8.842 3.433 1.00 0.00 C ATOM 844 O SER A 55 -8.529 -10.048 3.688 1.00 0.00 O ATOM 845 CB SER A 55 -10.630 -8.353 4.985 1.00 0.00 C ATOM 846 OG SER A 55 -11.072 -9.693 5.158 1.00 0.00 O ATOM 0 H SER A 55 -10.867 -9.632 2.384 1.00 0.00 H new ATOM 0 HA SER A 55 -9.858 -7.064 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.889 -8.112 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.468 -7.671 5.128 1.00 0.00 H new ATOM 0 HG SER A 55 -10.425 -10.306 4.751 1.00 0.00 H new ATOM 852 N ASP A 56 -7.653 -8.070 3.008 1.00 0.00 N ATOM 853 CA ASP A 56 -6.273 -8.532 2.798 1.00 0.00 C ATOM 854 C ASP A 56 -5.328 -7.716 3.678 1.00 0.00 C ATOM 855 O ASP A 56 -5.632 -6.574 4.022 1.00 0.00 O ATOM 856 CB ASP A 56 -5.881 -8.369 1.300 1.00 0.00 C ATOM 857 CG ASP A 56 -6.741 -9.230 0.358 1.00 0.00 C ATOM 858 OD1 ASP A 56 -7.886 -8.834 0.057 1.00 0.00 O ATOM 859 OD2 ASP A 56 -6.286 -10.317 -0.071 1.00 0.00 O ATOM 0 H ASP A 56 -7.778 -7.081 2.794 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.198 -9.586 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.978 -7.321 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.832 -8.637 1.173 1.00 0.00 H new ATOM 864 N SER A 57 -4.204 -8.319 4.065 1.00 0.00 N ATOM 865 CA SER A 57 -3.142 -7.627 4.812 1.00 0.00 C ATOM 866 C SER A 57 -1.784 -8.271 4.504 1.00 0.00 C ATOM 867 O SER A 57 -1.610 -9.475 4.688 1.00 0.00 O ATOM 868 CB SER A 57 -3.446 -7.653 6.332 1.00 0.00 C ATOM 869 OG SER A 57 -3.614 -8.982 6.813 1.00 0.00 O ATOM 0 H SER A 57 -4.000 -9.300 3.872 1.00 0.00 H new ATOM 0 HA SER A 57 -3.104 -6.584 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.633 -7.170 6.874 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.349 -7.077 6.532 1.00 0.00 H new ATOM 0 HG SER A 57 -2.981 -9.577 6.359 1.00 0.00 H new ATOM 875 N PHE A 58 -0.841 -7.455 4.019 1.00 0.00 N ATOM 876 CA PHE A 58 0.531 -7.877 3.684 1.00 0.00 C ATOM 877 C PHE A 58 1.514 -6.804 4.165 1.00 0.00 C ATOM 878 O PHE A 58 1.183 -5.624 4.169 1.00 0.00 O ATOM 879 CB PHE A 58 0.667 -8.135 2.152 1.00 0.00 C ATOM 880 CG PHE A 58 0.271 -6.955 1.249 1.00 0.00 C ATOM 881 CD1 PHE A 58 -1.067 -6.733 0.908 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.231 -6.070 0.751 1.00 0.00 C ATOM 883 CE1 PHE A 58 -1.426 -5.679 0.096 1.00 0.00 C ATOM 884 CE2 PHE A 58 0.869 -5.017 -0.065 1.00 0.00 C ATOM 885 CZ PHE A 58 -0.459 -4.819 -0.388 1.00 0.00 C ATOM 0 H PHE A 58 -1.009 -6.464 3.844 1.00 0.00 H new ATOM 0 HA PHE A 58 0.762 -8.815 4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.701 -8.405 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.051 -8.995 1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.830 -7.397 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.270 -6.212 1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.463 -5.525 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.624 -4.348 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.742 -3.990 -1.020 1.00 0.00 H new ATOM 895 N GLU A 59 2.714 -7.214 4.594 1.00 0.00 N ATOM 896 CA GLU A 59 3.756 -6.286 5.086 1.00 0.00 C ATOM 897 C GLU A 59 5.039 -6.481 4.282 1.00 0.00 C ATOM 898 O GLU A 59 5.388 -7.612 3.922 1.00 0.00 O ATOM 899 CB GLU A 59 4.025 -6.513 6.598 1.00 0.00 C ATOM 900 CG GLU A 59 2.808 -6.238 7.502 1.00 0.00 C ATOM 901 CD GLU A 59 3.036 -6.619 8.972 1.00 0.00 C ATOM 902 OE1 GLU A 59 3.223 -7.822 9.252 1.00 0.00 O ATOM 903 OE2 GLU A 59 3.008 -5.735 9.852 1.00 0.00 O ATOM 0 H GLU A 59 2.996 -8.194 4.612 1.00 0.00 H new ATOM 0 HA GLU A 59 3.405 -5.262 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.350 -7.543 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.848 -5.870 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.555 -5.179 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.950 -6.792 7.121 1.00 0.00 H new ATOM 910 N LEU A 60 5.723 -5.374 3.987 1.00 0.00 N ATOM 911 CA LEU A 60 7.026 -5.384 3.308 1.00 0.00 C ATOM 912 C LEU A 60 8.038 -4.613 4.179 1.00 0.00 C ATOM 913 O LEU A 60 7.722 -3.503 4.633 1.00 0.00 O ATOM 914 CB LEU A 60 6.900 -4.746 1.899 1.00 0.00 C ATOM 915 CG LEU A 60 5.973 -5.494 0.883 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.700 -4.645 -0.386 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.569 -6.873 0.513 1.00 0.00 C ATOM 0 H LEU A 60 5.388 -4.437 4.213 1.00 0.00 H new ATOM 0 HA LEU A 60 7.374 -6.408 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.529 -3.728 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.897 -4.674 1.465 1.00 0.00 H new ATOM 0 HG LEU A 60 5.012 -5.654 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.053 -5.202 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.212 -3.713 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.643 -4.423 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.910 -7.377 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.550 -6.735 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.667 -7.480 1.413 1.00 0.00 H new ATOM 929 N PRO A 61 9.252 -5.200 4.460 1.00 0.00 N ATOM 930 CA PRO A 61 10.323 -4.513 5.225 1.00 0.00 C ATOM 931 C PRO A 61 10.886 -3.294 4.471 1.00 0.00 C ATOM 932 O PRO A 61 10.560 -3.088 3.305 1.00 0.00 O ATOM 933 CB PRO A 61 11.403 -5.621 5.408 1.00 0.00 C ATOM 934 CG PRO A 61 11.171 -6.558 4.265 1.00 0.00 C ATOM 935 CD PRO A 61 9.671 -6.577 4.064 1.00 0.00 C ATOM 0 HA PRO A 61 9.964 -4.106 6.170 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.409 -5.203 5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.294 -6.128 6.366 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.684 -6.217 3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.551 -7.555 4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.407 -6.796 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.192 -7.336 4.682 1.00 0.00 H new ATOM 943 N ARG A 62 11.703 -2.490 5.179 1.00 0.00 N ATOM 944 CA ARG A 62 12.403 -1.300 4.623 1.00 0.00 C ATOM 945 C ARG A 62 12.992 -1.531 3.203 1.00 0.00 C ATOM 946 O ARG A 62 12.905 -0.660 2.330 1.00 0.00 O ATOM 947 CB ARG A 62 13.536 -0.851 5.595 1.00 0.00 C ATOM 948 CG ARG A 62 14.727 -1.834 5.726 1.00 0.00 C ATOM 949 CD ARG A 62 15.833 -1.347 6.682 1.00 0.00 C ATOM 950 NE ARG A 62 17.102 -2.061 6.446 1.00 0.00 N ATOM 951 CZ ARG A 62 17.808 -2.751 7.350 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.395 -2.859 8.597 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.936 -3.336 6.988 1.00 0.00 N ATOM 0 H ARG A 62 11.902 -2.645 6.167 1.00 0.00 H new ATOM 0 HA ARG A 62 11.650 -0.518 4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.918 0.113 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.104 -0.697 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.355 -2.797 6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.160 -2.000 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.986 -0.276 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.516 -1.497 7.714 1.00 0.00 H new ATOM 0 HE ARG A 62 17.479 -2.025 5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.525 -2.413 8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.946 -3.389 9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.264 -3.260 6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.479 -3.863 7.672 1.00 0.00 H new ATOM 967 N ASP A 63 13.550 -2.733 2.996 1.00 0.00 N ATOM 968 CA ASP A 63 14.271 -3.110 1.773 1.00 0.00 C ATOM 969 C ASP A 63 13.333 -3.258 0.555 1.00 0.00 C ATOM 970 O ASP A 63 13.739 -2.987 -0.575 1.00 0.00 O ATOM 971 CB ASP A 63 15.040 -4.433 2.037 1.00 0.00 C ATOM 972 CG ASP A 63 15.942 -4.874 0.868 1.00 0.00 C ATOM 973 OD1 ASP A 63 16.966 -4.203 0.621 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.627 -5.874 0.184 1.00 0.00 O ATOM 0 H ASP A 63 13.512 -3.483 3.686 1.00 0.00 H new ATOM 0 HA ASP A 63 14.969 -2.310 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.652 -4.314 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.321 -5.225 2.247 1.00 0.00 H new ATOM 979 N THR A 64 12.066 -3.638 0.794 1.00 0.00 N ATOM 980 CA THR A 64 11.130 -4.044 -0.280 1.00 0.00 C ATOM 981 C THR A 64 9.775 -3.320 -0.148 1.00 0.00 C ATOM 982 O THR A 64 8.842 -3.640 -0.885 1.00 0.00 O ATOM 983 CB THR A 64 10.905 -5.596 -0.263 1.00 0.00 C ATOM 984 OG1 THR A 64 10.466 -5.998 1.038 1.00 0.00 O ATOM 985 CG2 THR A 64 12.178 -6.386 -0.641 1.00 0.00 C ATOM 0 H THR A 64 11.660 -3.674 1.729 1.00 0.00 H new ATOM 0 HA THR A 64 11.582 -3.759 -1.230 1.00 0.00 H new ATOM 0 HB THR A 64 10.147 -5.822 -1.013 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.323 -6.967 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.965 -7.455 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.496 -6.105 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.973 -6.156 0.068 1.00 0.00 H new ATOM 993 N ALA A 65 9.686 -2.327 0.772 1.00 0.00 N ATOM 994 CA ALA A 65 8.438 -1.559 1.035 1.00 0.00 C ATOM 995 C ALA A 65 7.951 -0.808 -0.217 1.00 0.00 C ATOM 996 O ALA A 65 6.750 -0.618 -0.427 1.00 0.00 O ATOM 997 CB ALA A 65 8.662 -0.578 2.195 1.00 0.00 C ATOM 0 H ALA A 65 10.473 -2.035 1.352 1.00 0.00 H new ATOM 0 HA ALA A 65 7.660 -2.271 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.745 -0.020 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.938 -1.132 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.462 0.115 1.936 1.00 0.00 H new ATOM 1003 N PHE A 66 8.932 -0.401 -1.030 1.00 0.00 N ATOM 1004 CA PHE A 66 8.716 0.315 -2.297 1.00 0.00 C ATOM 1005 C PHE A 66 7.987 -0.538 -3.350 1.00 0.00 C ATOM 1006 O PHE A 66 7.329 0.008 -4.228 1.00 0.00 O ATOM 1007 CB PHE A 66 10.083 0.760 -2.871 1.00 0.00 C ATOM 1008 CG PHE A 66 11.026 1.375 -1.835 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.757 2.617 -1.268 1.00 0.00 C ATOM 1010 CD2 PHE A 66 12.170 0.689 -1.409 1.00 0.00 C ATOM 1011 CE1 PHE A 66 11.606 3.160 -0.326 1.00 0.00 C ATOM 1012 CE2 PHE A 66 13.015 1.237 -0.467 1.00 0.00 C ATOM 1013 CZ PHE A 66 12.730 2.472 0.079 1.00 0.00 C ATOM 0 H PHE A 66 9.918 -0.562 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 66 8.082 1.174 -2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.572 -0.102 -3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.912 1.485 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.874 3.162 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.394 -0.283 -1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 66 11.389 4.130 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.899 0.700 -0.157 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.387 2.899 0.823 1.00 0.00 H new ATOM 1023 N ASN A 67 8.033 -1.873 -3.207 1.00 0.00 N ATOM 1024 CA ASN A 67 7.416 -2.818 -4.167 1.00 0.00 C ATOM 1025 C ASN A 67 5.870 -2.835 -4.075 1.00 0.00 C ATOM 1026 O ASN A 67 5.219 -3.571 -4.823 1.00 0.00 O ATOM 1027 CB ASN A 67 7.981 -4.247 -3.938 1.00 0.00 C ATOM 1028 CG ASN A 67 9.469 -4.376 -4.267 1.00 0.00 C ATOM 1029 OD1 ASN A 67 9.997 -3.664 -5.120 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.154 -5.288 -3.598 1.00 0.00 N ATOM 0 H ASN A 67 8.498 -2.333 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 67 7.672 -2.474 -5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.822 -4.529 -2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.419 -4.953 -4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.149 -5.416 -3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.688 -5.863 -2.897 1.00 0.00 H new ATOM 1037 N PHE A 68 5.296 -1.968 -3.213 1.00 0.00 N ATOM 1038 CA PHE A 68 3.861 -1.946 -2.888 1.00 0.00 C ATOM 1039 C PHE A 68 3.010 -1.394 -4.047 1.00 0.00 C ATOM 1040 O PHE A 68 1.818 -1.646 -4.103 1.00 0.00 O ATOM 1041 CB PHE A 68 3.628 -1.062 -1.630 1.00 0.00 C ATOM 1042 CG PHE A 68 3.580 0.463 -1.892 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.666 1.138 -2.459 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.429 1.201 -1.600 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.601 2.493 -2.729 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.370 2.558 -1.860 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.454 3.205 -2.428 1.00 0.00 C ATOM 0 H PHE A 68 5.829 -1.254 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 68 3.553 -2.975 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.690 -1.363 -1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.422 -1.266 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.569 0.593 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.574 0.704 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.446 2.995 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.476 3.114 -1.619 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.404 4.264 -2.636 1.00 0.00 H new ATOM 1057 N ALA A 69 3.635 -0.639 -4.966 1.00 0.00 N ATOM 1058 CA ALA A 69 2.892 0.121 -5.990 1.00 0.00 C ATOM 1059 C ALA A 69 2.408 -0.846 -7.067 1.00 0.00 C ATOM 1060 O ALA A 69 1.273 -0.780 -7.539 1.00 0.00 O ATOM 1061 CB ALA A 69 3.777 1.220 -6.579 1.00 0.00 C ATOM 0 H ALA A 69 4.648 -0.538 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 69 2.026 0.607 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.217 1.773 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.088 1.900 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.658 0.771 -7.038 1.00 0.00 H new ATOM 1067 N SER A 70 3.323 -1.748 -7.429 1.00 0.00 N ATOM 1068 CA SER A 70 3.068 -2.855 -8.337 1.00 0.00 C ATOM 1069 C SER A 70 2.241 -3.949 -7.624 1.00 0.00 C ATOM 1070 O SER A 70 1.331 -4.532 -8.215 1.00 0.00 O ATOM 1071 CB SER A 70 4.420 -3.415 -8.825 1.00 0.00 C ATOM 1072 OG SER A 70 5.247 -2.378 -9.337 1.00 0.00 O ATOM 0 H SER A 70 4.284 -1.723 -7.087 1.00 0.00 H new ATOM 0 HA SER A 70 2.492 -2.510 -9.195 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.928 -3.917 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.249 -4.164 -9.598 1.00 0.00 H new ATOM 0 HG SER A 70 6.099 -2.758 -9.638 1.00 0.00 H new ATOM 1078 N ASP A 71 2.566 -4.198 -6.337 1.00 0.00 N ATOM 1079 CA ASP A 71 1.996 -5.324 -5.565 1.00 0.00 C ATOM 1080 C ASP A 71 0.530 -5.071 -5.166 1.00 0.00 C ATOM 1081 O ASP A 71 -0.329 -5.853 -5.531 1.00 0.00 O ATOM 1082 CB ASP A 71 2.852 -5.618 -4.310 1.00 0.00 C ATOM 1083 CG ASP A 71 2.420 -6.902 -3.581 1.00 0.00 C ATOM 1084 OD1 ASP A 71 2.897 -7.996 -3.952 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.601 -6.826 -2.648 1.00 0.00 O ATOM 0 H ASP A 71 3.226 -3.629 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 71 2.012 -6.198 -6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.898 -5.706 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.783 -4.775 -3.623 1.00 0.00 H new ATOM 1090 N ALA A 72 0.274 -3.977 -4.410 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.085 -3.595 -3.936 1.00 0.00 C ATOM 1092 C ALA A 72 -2.093 -3.447 -5.090 1.00 0.00 C ATOM 1093 O ALA A 72 -3.274 -3.781 -4.932 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.031 -2.300 -3.109 1.00 0.00 C ATOM 0 H ALA A 72 1.003 -3.331 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.435 -4.410 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.035 -2.040 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.386 -2.448 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.634 -1.492 -3.724 1.00 0.00 H new ATOM 1100 N THR A 73 -1.615 -2.947 -6.246 1.00 0.00 N ATOM 1101 CA THR A 73 -2.428 -2.873 -7.464 1.00 0.00 C ATOM 1102 C THR A 73 -2.758 -4.300 -7.953 1.00 0.00 C ATOM 1103 O THR A 73 -3.909 -4.602 -8.208 1.00 0.00 O ATOM 1104 CB THR A 73 -1.721 -2.039 -8.585 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.498 -0.698 -8.110 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.544 -1.979 -9.891 1.00 0.00 C ATOM 0 H THR A 73 -0.666 -2.589 -6.356 1.00 0.00 H new ATOM 0 HA THR A 73 -3.357 -2.355 -7.227 1.00 0.00 H new ATOM 0 HB THR A 73 -0.778 -2.536 -8.813 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.554 -0.589 -7.870 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.007 -1.388 -10.633 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.696 -2.989 -10.272 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.511 -1.517 -9.691 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.737 -5.175 -8.030 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.908 -6.612 -8.396 1.00 0.00 C ATOM 1116 C ARG A 74 -2.884 -7.343 -7.436 1.00 0.00 C ATOM 1117 O ARG A 74 -3.650 -8.218 -7.862 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.525 -7.318 -8.399 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.522 -8.780 -8.901 1.00 0.00 C ATOM 1120 CD ARG A 74 0.854 -9.441 -8.732 1.00 0.00 C ATOM 1121 NE ARG A 74 0.910 -10.804 -9.288 1.00 0.00 N ATOM 1122 CZ ARG A 74 1.751 -11.772 -8.886 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.575 -11.583 -7.857 1.00 0.00 N ATOM 1124 NH2 ARG A 74 1.746 -12.940 -9.508 1.00 0.00 N ATOM 0 H ARG A 74 -0.769 -4.916 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.344 -6.655 -9.394 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.157 -6.738 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.126 -7.300 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.270 -9.353 -8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.809 -8.803 -9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.609 -8.824 -9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.106 -9.476 -7.672 1.00 0.00 H new ATOM 0 HE ARG A 74 0.258 -11.031 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.574 -10.692 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.207 -12.329 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.107 -13.100 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.381 -13.680 -9.209 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.864 -6.940 -6.147 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.766 -7.480 -5.110 1.00 0.00 C ATOM 1140 C VAL A 75 -5.201 -7.015 -5.402 1.00 0.00 C ATOM 1141 O VAL A 75 -6.147 -7.781 -5.254 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.338 -7.021 -3.655 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -4.341 -7.497 -2.571 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -1.914 -7.513 -3.314 1.00 0.00 C ATOM 0 H VAL A 75 -2.221 -6.230 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.706 -8.568 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.344 -5.931 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.005 -7.158 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.327 -7.082 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.396 -8.586 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.646 -7.184 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.885 -8.602 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.205 -7.101 -4.032 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.326 -5.772 -5.892 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.620 -5.149 -6.206 1.00 0.00 C ATOM 1156 C ALA A 76 -7.259 -5.857 -7.412 1.00 0.00 C ATOM 1157 O ALA A 76 -8.391 -6.322 -7.332 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.422 -3.650 -6.492 1.00 0.00 C ATOM 0 H ALA A 76 -4.527 -5.168 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.290 -5.250 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.384 -3.194 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.993 -3.166 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.748 -3.527 -7.340 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.452 -6.012 -8.480 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.882 -6.569 -9.781 1.00 0.00 C ATOM 1166 C GLN A 77 -7.267 -8.061 -9.648 1.00 0.00 C ATOM 1167 O GLN A 77 -8.067 -8.578 -10.436 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.773 -6.393 -10.855 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.197 -4.959 -10.983 1.00 0.00 C ATOM 1170 CD GLN A 77 -6.256 -3.866 -11.155 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -7.281 -4.071 -11.788 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -6.021 -2.695 -10.578 1.00 0.00 N ATOM 0 H GLN A 77 -5.466 -5.750 -8.464 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.764 -6.015 -10.101 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.955 -7.076 -10.625 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.176 -6.693 -11.822 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.605 -4.738 -10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.518 -4.928 -11.835 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.158 -2.548 -10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.704 -1.941 -10.657 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.684 -8.719 -8.623 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.980 -10.119 -8.252 1.00 0.00 C ATOM 1183 C LYS A 78 -8.476 -10.301 -7.879 1.00 0.00 C ATOM 1184 O LYS A 78 -9.057 -11.377 -8.068 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.080 -10.512 -7.051 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.197 -11.983 -6.585 1.00 0.00 C ATOM 1187 CD LYS A 78 -5.395 -12.261 -5.291 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.894 -11.984 -5.455 1.00 0.00 C ATOM 1189 NZ LYS A 78 -3.128 -12.304 -4.228 1.00 0.00 N ATOM 0 H LYS A 78 -5.984 -8.286 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.775 -10.764 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.042 -10.315 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.322 -9.862 -6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.246 -12.225 -6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.841 -12.641 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.789 -11.643 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.539 -13.300 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.507 -12.572 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.746 -10.935 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.120 -12.101 -4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.479 -11.724 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.247 -13.311 -3.997 1.00 0.00 H new ATOM 1203 N HIS A 79 -9.090 -9.222 -7.370 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.491 -9.223 -6.899 1.00 0.00 C ATOM 1205 C HIS A 79 -11.483 -8.816 -8.013 1.00 0.00 C ATOM 1206 O HIS A 79 -12.661 -8.588 -7.727 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.640 -8.275 -5.689 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.805 -8.650 -4.492 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -8.629 -8.020 -4.171 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -9.985 -9.596 -3.536 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -8.124 -8.558 -3.081 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.925 -9.514 -2.674 1.00 0.00 N ATOM 0 H HIS A 79 -8.629 -8.317 -7.271 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.735 -10.243 -6.602 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.373 -7.265 -6.000 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.688 -8.250 -5.391 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.210 -7.253 -4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.813 -10.287 -3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.203 -8.262 -2.601 1.00 0.00 H new ATOM 1221 N GLY A 80 -11.012 -8.767 -9.276 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.862 -8.418 -10.419 1.00 0.00 C ATOM 1223 C GLY A 80 -12.082 -6.915 -10.571 1.00 0.00 C ATOM 1224 O GLY A 80 -13.144 -6.402 -10.216 1.00 0.00 O ATOM 0 H GLY A 80 -10.043 -8.967 -9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.409 -8.806 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.828 -8.910 -10.308 1.00 0.00 H new ATOM 1228 N LEU A 81 -11.048 -6.198 -11.045 1.00 0.00 N ATOM 1229 CA LEU A 81 -11.138 -4.772 -11.450 1.00 0.00 C ATOM 1230 C LEU A 81 -10.851 -4.642 -12.955 1.00 0.00 C ATOM 1231 O LEU A 81 -10.077 -5.430 -13.507 1.00 0.00 O ATOM 1232 CB LEU A 81 -10.104 -3.898 -10.674 1.00 0.00 C ATOM 1233 CG LEU A 81 -10.493 -3.374 -9.265 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -10.757 -4.512 -8.286 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -9.416 -2.401 -8.727 1.00 0.00 C ATOM 0 H LEU A 81 -10.114 -6.591 -11.161 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.144 -4.423 -11.219 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.188 -4.480 -10.571 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.865 -3.035 -11.295 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.428 -2.823 -9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.026 -4.100 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.575 -5.129 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.859 -5.122 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.708 -2.045 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.459 -2.919 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.321 -1.552 -9.404 1.00 0.00 H new ATOM 1466 N TYR A 95 6.122 6.279 -9.567 1.00 0.00 N ATOM 1467 CA TYR A 95 6.712 5.259 -8.704 1.00 0.00 C ATOM 1468 C TYR A 95 8.037 5.723 -8.093 1.00 0.00 C ATOM 1469 O TYR A 95 8.280 5.491 -6.919 1.00 0.00 O ATOM 1470 CB TYR A 95 6.920 3.966 -9.536 1.00 0.00 C ATOM 1471 CG TYR A 95 7.599 2.817 -8.771 1.00 0.00 C ATOM 1472 CD1 TYR A 95 6.979 2.242 -7.670 1.00 0.00 C ATOM 1473 CD2 TYR A 95 8.864 2.328 -9.129 1.00 0.00 C ATOM 1474 CE1 TYR A 95 7.574 1.223 -6.962 1.00 0.00 C ATOM 1475 CE2 TYR A 95 9.467 1.305 -8.416 1.00 0.00 C ATOM 1476 CZ TYR A 95 8.815 0.755 -7.332 1.00 0.00 C ATOM 1477 OH TYR A 95 9.405 -0.263 -6.611 1.00 0.00 O ATOM 0 HA TYR A 95 6.033 5.067 -7.873 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.951 3.622 -9.898 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.521 4.206 -10.413 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.008 2.602 -7.362 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.378 2.757 -9.977 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.066 0.789 -6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 95 10.441 0.940 -8.707 1.00 0.00 H new ATOM 0 HH TYR A 95 8.827 -0.509 -5.859 1.00 0.00 H new ATOM 1487 N ASP A 96 8.854 6.394 -8.911 1.00 0.00 N ATOM 1488 CA ASP A 96 10.191 6.872 -8.527 1.00 0.00 C ATOM 1489 C ASP A 96 10.119 7.977 -7.448 1.00 0.00 C ATOM 1490 O ASP A 96 11.029 8.097 -6.619 1.00 0.00 O ATOM 1491 CB ASP A 96 10.938 7.380 -9.786 1.00 0.00 C ATOM 1492 CG ASP A 96 11.018 6.309 -10.890 1.00 0.00 C ATOM 1493 OD1 ASP A 96 10.041 6.158 -11.663 1.00 0.00 O ATOM 1494 OD2 ASP A 96 12.042 5.599 -10.978 1.00 0.00 O ATOM 0 H ASP A 96 8.604 6.625 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 96 10.741 6.038 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.431 8.263 -10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.946 7.688 -9.508 1.00 0.00 H new ATOM 1499 N ALA A 97 9.028 8.773 -7.460 1.00 0.00 N ATOM 1500 CA ALA A 97 8.828 9.875 -6.499 1.00 0.00 C ATOM 1501 C ALA A 97 8.401 9.332 -5.121 1.00 0.00 C ATOM 1502 O ALA A 97 8.996 9.693 -4.105 1.00 0.00 O ATOM 1503 CB ALA A 97 7.792 10.879 -7.041 1.00 0.00 C ATOM 0 H ALA A 97 8.267 8.670 -8.132 1.00 0.00 H new ATOM 0 HA ALA A 97 9.777 10.397 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.656 11.686 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.145 11.292 -7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.841 10.370 -7.200 1.00 0.00 H new ATOM 1509 N MET A 98 7.385 8.435 -5.101 1.00 0.00 N ATOM 1510 CA MET A 98 6.898 7.801 -3.841 1.00 0.00 C ATOM 1511 C MET A 98 7.917 6.787 -3.276 1.00 0.00 C ATOM 1512 O MET A 98 7.917 6.502 -2.078 1.00 0.00 O ATOM 1513 CB MET A 98 5.483 7.183 -4.014 1.00 0.00 C ATOM 1514 CG MET A 98 5.303 6.214 -5.186 1.00 0.00 C ATOM 1515 SD MET A 98 3.583 5.663 -5.325 1.00 0.00 S ATOM 1516 CE MET A 98 3.555 4.848 -6.921 1.00 0.00 C ATOM 0 H MET A 98 6.886 8.132 -5.937 1.00 0.00 H new ATOM 0 HA MET A 98 6.803 8.593 -3.098 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.224 6.659 -3.094 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.767 7.996 -4.130 1.00 0.00 H new ATOM 0 HG2 MET A 98 5.608 6.700 -6.113 1.00 0.00 H new ATOM 0 HG3 MET A 98 5.954 5.350 -5.050 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.557 4.453 -7.110 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.815 5.565 -7.700 1.00 0.00 H new ATOM 0 HE3 MET A 98 4.276 4.030 -6.925 1.00 0.00 H new ATOM 1526 N PHE A 99 8.745 6.231 -4.175 1.00 0.00 N ATOM 1527 CA PHE A 99 9.997 5.509 -3.822 1.00 0.00 C ATOM 1528 C PHE A 99 10.868 6.374 -2.873 1.00 0.00 C ATOM 1529 O PHE A 99 11.401 5.879 -1.877 1.00 0.00 O ATOM 1530 CB PHE A 99 10.780 5.160 -5.121 1.00 0.00 C ATOM 1531 CG PHE A 99 11.974 4.213 -4.963 1.00 0.00 C ATOM 1532 CD1 PHE A 99 13.245 4.694 -4.645 1.00 0.00 C ATOM 1533 CD2 PHE A 99 11.826 2.837 -5.155 1.00 0.00 C ATOM 1534 CE1 PHE A 99 14.321 3.834 -4.520 1.00 0.00 C ATOM 1535 CE2 PHE A 99 12.904 1.979 -5.025 1.00 0.00 C ATOM 1536 CZ PHE A 99 14.152 2.480 -4.710 1.00 0.00 C ATOM 0 H PHE A 99 8.570 6.266 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 99 9.745 4.585 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.083 4.715 -5.831 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.137 6.089 -5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 99 13.390 5.753 -4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.855 2.437 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 99 15.297 4.225 -4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 99 12.769 0.917 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 99 14.994 1.811 -4.613 1.00 0.00 H new ATOM 1546 N GLU A 100 10.962 7.680 -3.185 1.00 0.00 N ATOM 1547 CA GLU A 100 11.741 8.641 -2.381 1.00 0.00 C ATOM 1548 C GLU A 100 10.967 9.083 -1.123 1.00 0.00 C ATOM 1549 O GLU A 100 11.577 9.463 -0.119 1.00 0.00 O ATOM 1550 CB GLU A 100 12.196 9.870 -3.206 1.00 0.00 C ATOM 1551 CG GLU A 100 13.264 9.559 -4.279 1.00 0.00 C ATOM 1552 CD GLU A 100 13.949 10.825 -4.831 1.00 0.00 C ATOM 1553 OE1 GLU A 100 13.407 11.450 -5.770 1.00 0.00 O ATOM 1554 OE2 GLU A 100 15.032 11.204 -4.321 1.00 0.00 O ATOM 0 H GLU A 100 10.504 8.097 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 100 12.641 8.116 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.325 10.307 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.592 10.623 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.020 8.901 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.798 9.017 -5.102 1.00 0.00 H new ATOM 1561 N ASP A 101 9.632 9.056 -1.186 1.00 0.00 N ATOM 1562 CA ASP A 101 8.784 9.449 -0.049 1.00 0.00 C ATOM 1563 C ASP A 101 8.824 8.404 1.082 1.00 0.00 C ATOM 1564 O ASP A 101 9.008 8.764 2.244 1.00 0.00 O ATOM 1565 CB ASP A 101 7.339 9.713 -0.515 1.00 0.00 C ATOM 1566 CG ASP A 101 7.220 10.998 -1.343 1.00 0.00 C ATOM 1567 OD1 ASP A 101 7.456 12.091 -0.783 1.00 0.00 O ATOM 1568 OD2 ASP A 101 6.892 10.938 -2.543 1.00 0.00 O ATOM 0 H ASP A 101 9.111 8.766 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 101 9.186 10.376 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.991 8.868 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.686 9.782 0.355 1.00 0.00 H new ATOM 1573 N ILE A 102 8.608 7.117 0.745 1.00 0.00 N ATOM 1574 CA ILE A 102 8.751 6.002 1.715 1.00 0.00 C ATOM 1575 C ILE A 102 10.187 5.927 2.292 1.00 0.00 C ATOM 1576 O ILE A 102 10.351 5.665 3.474 1.00 0.00 O ATOM 1577 CB ILE A 102 8.335 4.611 1.093 1.00 0.00 C ATOM 1578 CG1 ILE A 102 6.831 4.640 0.665 1.00 0.00 C ATOM 1579 CG2 ILE A 102 8.609 3.424 2.069 1.00 0.00 C ATOM 1580 CD1 ILE A 102 6.286 3.315 0.163 1.00 0.00 C ATOM 0 H ILE A 102 8.334 6.819 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 102 8.064 6.218 2.533 1.00 0.00 H new ATOM 0 HB ILE A 102 8.954 4.447 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.232 4.964 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.705 5.388 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.307 2.489 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.672 3.385 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.039 3.569 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.237 3.433 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.855 2.995 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.374 2.564 0.948 1.00 0.00 H new ATOM 1592 N ARG A 103 11.211 6.174 1.443 1.00 0.00 N ATOM 1593 CA ARG A 103 12.627 6.177 1.905 1.00 0.00 C ATOM 1594 C ARG A 103 12.858 7.340 2.898 1.00 0.00 C ATOM 1595 O ARG A 103 13.713 7.253 3.780 1.00 0.00 O ATOM 1596 CB ARG A 103 13.661 6.127 0.727 1.00 0.00 C ATOM 1597 CG ARG A 103 14.027 7.443 0.002 1.00 0.00 C ATOM 1598 CD ARG A 103 15.123 8.268 0.696 1.00 0.00 C ATOM 1599 NE ARG A 103 15.611 9.366 -0.159 1.00 0.00 N ATOM 1600 CZ ARG A 103 15.034 10.574 -0.301 1.00 0.00 C ATOM 1601 NH1 ARG A 103 13.955 10.910 0.396 1.00 0.00 N ATOM 1602 NH2 ARG A 103 15.552 11.451 -1.150 1.00 0.00 N ATOM 0 H ARG A 103 11.092 6.371 0.449 1.00 0.00 H new ATOM 0 HA ARG A 103 12.810 5.249 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.584 5.696 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.276 5.434 -0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.354 7.207 -1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.130 8.056 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.733 8.679 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.956 7.616 0.960 1.00 0.00 H new ATOM 0 HE ARG A 103 16.464 9.194 -0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.547 10.247 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.534 11.831 0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.382 11.208 -1.690 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.120 12.368 -1.263 1.00 0.00 H new ATOM 1616 N ALA A 104 12.073 8.430 2.743 1.00 0.00 N ATOM 1617 CA ALA A 104 12.129 9.594 3.642 1.00 0.00 C ATOM 1618 C ALA A 104 11.462 9.256 4.993 1.00 0.00 C ATOM 1619 O ALA A 104 11.947 9.667 6.048 1.00 0.00 O ATOM 1620 CB ALA A 104 11.469 10.812 2.985 1.00 0.00 C ATOM 0 H ALA A 104 11.388 8.523 1.993 1.00 0.00 H new ATOM 0 HA ALA A 104 13.173 9.844 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.519 11.663 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.992 11.054 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.426 10.586 2.764 1.00 0.00 H new ATOM 1626 N LYS A 105 10.326 8.526 4.947 1.00 0.00 N ATOM 1627 CA LYS A 105 9.689 7.925 6.141 1.00 0.00 C ATOM 1628 C LYS A 105 10.638 6.961 6.880 1.00 0.00 C ATOM 1629 O LYS A 105 10.668 6.922 8.110 1.00 0.00 O ATOM 1630 CB LYS A 105 8.396 7.171 5.714 1.00 0.00 C ATOM 1631 CG LYS A 105 7.301 8.019 4.993 1.00 0.00 C ATOM 1632 CD LYS A 105 6.371 8.832 5.936 1.00 0.00 C ATOM 1633 CE LYS A 105 7.070 9.967 6.695 1.00 0.00 C ATOM 1634 NZ LYS A 105 6.126 10.715 7.557 1.00 0.00 N ATOM 0 H LYS A 105 9.824 8.336 4.080 1.00 0.00 H new ATOM 0 HA LYS A 105 9.442 8.732 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.681 6.351 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.951 6.725 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.791 8.710 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.686 7.352 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.556 9.253 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.922 8.151 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.872 9.555 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.531 10.651 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.659 11.256 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.566 11.369 6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.489 10.047 8.036 1.00 0.00 H new ATOM 1648 N LEU A 106 11.390 6.181 6.100 1.00 0.00 N ATOM 1649 CA LEU A 106 12.446 5.281 6.600 1.00 0.00 C ATOM 1650 C LEU A 106 13.609 6.083 7.238 1.00 0.00 C ATOM 1651 O LEU A 106 14.332 5.560 8.085 1.00 0.00 O ATOM 1652 CB LEU A 106 12.952 4.360 5.437 1.00 0.00 C ATOM 1653 CG LEU A 106 12.190 2.999 5.200 1.00 0.00 C ATOM 1654 CD1 LEU A 106 10.659 3.121 5.384 1.00 0.00 C ATOM 1655 CD2 LEU A 106 12.522 2.420 3.802 1.00 0.00 C ATOM 0 H LEU A 106 11.285 6.153 5.086 1.00 0.00 H new ATOM 0 HA LEU A 106 12.028 4.649 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.910 4.934 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.001 4.130 5.623 1.00 0.00 H new ATOM 0 HG LEU A 106 12.544 2.311 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.193 2.152 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.440 3.449 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.264 3.848 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.986 1.482 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.220 3.131 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.594 2.240 3.728 1.00 0.00 H new ATOM 1667 N HIS A 107 13.782 7.347 6.803 1.00 0.00 N ATOM 1668 CA HIS A 107 14.735 8.310 7.410 1.00 0.00 C ATOM 1669 C HIS A 107 14.131 8.956 8.691 1.00 0.00 C ATOM 1670 O HIS A 107 14.866 9.550 9.492 1.00 0.00 O ATOM 1671 CB HIS A 107 15.121 9.390 6.358 1.00 0.00 C ATOM 1672 CG HIS A 107 16.103 10.441 6.824 1.00 0.00 C ATOM 1673 ND1 HIS A 107 17.457 10.218 6.915 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.916 11.724 7.219 1.00 0.00 C ATOM 1675 CE1 HIS A 107 18.059 11.311 7.338 1.00 0.00 C ATOM 1676 NE2 HIS A 107 17.146 12.239 7.529 1.00 0.00 N ATOM 0 H HIS A 107 13.263 7.735 6.015 1.00 0.00 H new ATOM 0 HA HIS A 107 15.637 7.779 7.712 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.542 8.888 5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.211 9.891 6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.971 12.244 7.278 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.121 11.426 7.500 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.326 13.189 7.855 1.00 0.00 H new ATOM 1685 N ALA A 108 12.780 8.856 8.829 1.00 0.00 N ATOM 1686 CA ALA A 108 11.988 9.296 10.011 1.00 0.00 C ATOM 1687 C ALA A 108 11.710 10.808 9.976 1.00 0.00 C ATOM 1688 O ALA A 108 11.661 11.479 11.011 1.00 0.00 O ATOM 1689 CB ALA A 108 12.614 8.838 11.349 1.00 0.00 C ATOM 0 H ALA A 108 12.194 8.454 8.097 1.00 0.00 H new ATOM 0 HA ALA A 108 11.022 8.795 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.997 9.186 12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 108 12.671 7.750 11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.616 9.256 11.444 1.00 0.00 H new ATOM 1727 N GLY A 111 7.809 12.545 4.318 1.00 0.00 N ATOM 1728 CA GLY A 111 7.878 11.780 3.082 1.00 0.00 C ATOM 1729 C GLY A 111 6.480 11.462 2.614 1.00 0.00 C ATOM 1730 O GLY A 111 6.099 10.292 2.477 1.00 0.00 O ATOM 0 HA2 GLY A 111 8.409 12.348 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.439 10.859 3.242 1.00 0.00 H new ATOM 1734 N GLU A 112 5.700 12.533 2.415 1.00 0.00 N ATOM 1735 CA GLU A 112 4.283 12.447 2.043 1.00 0.00 C ATOM 1736 C GLU A 112 4.185 12.603 0.507 1.00 0.00 C ATOM 1737 O GLU A 112 4.507 13.688 -0.001 1.00 0.00 O ATOM 1738 CB GLU A 112 3.474 13.588 2.755 1.00 0.00 C ATOM 1739 CG GLU A 112 4.006 14.044 4.139 1.00 0.00 C ATOM 1740 CD GLU A 112 3.987 12.974 5.252 1.00 0.00 C ATOM 1741 OE1 GLU A 112 4.983 12.246 5.415 1.00 0.00 O ATOM 1742 OE2 GLU A 112 2.997 12.897 6.007 1.00 0.00 O ATOM 0 H GLU A 112 6.038 13.491 2.509 1.00 0.00 H new ATOM 0 HA GLU A 112 3.865 11.489 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.451 14.455 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.444 13.253 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.031 14.395 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.415 14.897 4.471 1.00 0.00 H new ATOM 1749 N PRO A 113 3.752 11.550 -0.260 1.00 0.00 N ATOM 1750 CA PRO A 113 3.678 11.621 -1.738 1.00 0.00 C ATOM 1751 C PRO A 113 2.622 12.627 -2.236 1.00 0.00 C ATOM 1752 O PRO A 113 1.436 12.309 -2.303 1.00 0.00 O ATOM 1753 CB PRO A 113 3.358 10.158 -2.175 1.00 0.00 C ATOM 1754 CG PRO A 113 3.646 9.321 -0.958 1.00 0.00 C ATOM 1755 CD PRO A 113 3.351 10.209 0.232 1.00 0.00 C ATOM 0 HA PRO A 113 4.607 11.989 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.319 10.057 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.976 9.853 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.023 8.426 -0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.684 8.987 -0.949 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.298 10.177 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.922 9.912 1.111 1.00 0.00 H new ATOM 1763 N VAL A 114 3.058 13.868 -2.515 1.00 0.00 N ATOM 1764 CA VAL A 114 2.195 14.903 -3.104 1.00 0.00 C ATOM 1765 C VAL A 114 2.199 14.747 -4.638 1.00 0.00 C ATOM 1766 O VAL A 114 3.080 15.245 -5.349 1.00 0.00 O ATOM 1767 CB VAL A 114 2.583 16.358 -2.625 1.00 0.00 C ATOM 1768 CG1 VAL A 114 4.086 16.680 -2.818 1.00 0.00 C ATOM 1769 CG2 VAL A 114 1.682 17.430 -3.294 1.00 0.00 C ATOM 0 H VAL A 114 4.013 14.179 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 114 1.175 14.761 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 114 2.403 16.386 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.289 17.693 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.686 15.973 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.342 16.601 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.974 18.420 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 114 1.798 17.379 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 114 0.640 17.245 -3.032 1.00 0.00 H new ATOM 1779 N ASP A 115 1.210 13.991 -5.124 1.00 0.00 N ATOM 1780 CA ASP A 115 1.090 13.594 -6.535 1.00 0.00 C ATOM 1781 C ASP A 115 0.208 14.588 -7.325 1.00 0.00 C ATOM 1782 O ASP A 115 -0.591 14.185 -8.169 1.00 0.00 O ATOM 1783 CB ASP A 115 0.543 12.129 -6.604 1.00 0.00 C ATOM 1784 CG ASP A 115 -0.913 11.952 -6.096 1.00 0.00 C ATOM 1785 OD1 ASP A 115 -1.158 12.101 -4.881 1.00 0.00 O ATOM 1786 OD2 ASP A 115 -1.810 11.624 -6.903 1.00 0.00 O ATOM 0 H ASP A 115 0.456 13.630 -4.540 1.00 0.00 H new ATOM 0 HA ASP A 115 2.071 13.621 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 115 0.597 11.785 -7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.198 11.484 -6.018 1.00 0.00 H new ATOM 1791 N LEU A 116 0.414 15.906 -7.093 1.00 0.00 N ATOM 1792 CA LEU A 116 -0.372 16.971 -7.759 1.00 0.00 C ATOM 1793 C LEU A 116 -0.166 16.969 -9.293 1.00 0.00 C ATOM 1794 O LEU A 116 -1.062 17.366 -10.045 1.00 0.00 O ATOM 1795 CB LEU A 116 -0.086 18.370 -7.109 1.00 0.00 C ATOM 1796 CG LEU A 116 1.398 18.910 -7.089 1.00 0.00 C ATOM 1797 CD1 LEU A 116 1.853 19.467 -8.454 1.00 0.00 C ATOM 1798 CD2 LEU A 116 1.587 19.987 -5.998 1.00 0.00 C ATOM 0 H LEU A 116 1.121 16.258 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.429 16.757 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.698 19.107 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.438 18.333 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 116 2.026 18.049 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.880 19.823 -8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.797 18.679 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.204 20.293 -8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.619 20.339 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.916 20.824 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.360 19.559 -5.021 1.00 0.00 H new ATOM 1810 N GLU A 117 1.013 16.497 -9.742 1.00 0.00 N ATOM 1811 CA GLU A 117 1.330 16.363 -11.176 1.00 0.00 C ATOM 1812 C GLU A 117 0.657 15.100 -11.773 1.00 0.00 C ATOM 1813 O GLU A 117 0.435 15.012 -12.986 1.00 0.00 O ATOM 1814 CB GLU A 117 2.871 16.343 -11.378 1.00 0.00 C ATOM 1815 CG GLU A 117 3.329 16.306 -12.859 1.00 0.00 C ATOM 1816 CD GLU A 117 4.849 16.425 -13.043 1.00 0.00 C ATOM 1817 OE1 GLU A 117 5.574 15.477 -12.693 1.00 0.00 O ATOM 1818 OE2 GLU A 117 5.327 17.462 -13.544 1.00 0.00 O ATOM 0 H GLU A 117 1.768 16.200 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 117 0.930 17.224 -11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.298 17.226 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.280 15.474 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.990 15.374 -13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.843 17.118 -13.400 1.00 0.00 H new ATOM 1825 N ARG A 118 0.322 14.130 -10.905 1.00 0.00 N ATOM 1826 CA ARG A 118 -0.410 12.907 -11.306 1.00 0.00 C ATOM 1827 C ARG A 118 -1.920 13.197 -11.435 1.00 0.00 C ATOM 1828 O ARG A 118 -2.659 12.433 -12.063 1.00 0.00 O ATOM 1829 CB ARG A 118 -0.161 11.773 -10.272 1.00 0.00 C ATOM 1830 CG ARG A 118 -0.635 10.361 -10.696 1.00 0.00 C ATOM 1831 CD ARG A 118 -0.537 9.330 -9.550 1.00 0.00 C ATOM 1832 NE ARG A 118 -0.584 7.943 -10.055 1.00 0.00 N ATOM 1833 CZ ARG A 118 -0.973 6.861 -9.358 1.00 0.00 C ATOM 1834 NH1 ARG A 118 -1.473 6.971 -8.131 1.00 0.00 N ATOM 1835 NH2 ARG A 118 -0.848 5.664 -9.913 1.00 0.00 N ATOM 0 H ARG A 118 0.547 14.167 -9.911 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.040 12.582 -12.279 1.00 0.00 H new ATOM 0 HB2 ARG A 118 0.907 11.729 -10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.661 12.039 -9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.667 10.417 -11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -0.035 10.019 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 118 0.391 9.485 -9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.355 9.489 -8.847 1.00 0.00 H new ATOM 0 HE ARG A 118 -0.295 7.792 -11.021 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -1.568 7.890 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -1.762 6.136 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.462 5.575 -10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -1.138 4.831 -9.400 1.00 0.00 H new ATOM 1849 N ILE A 119 -2.362 14.323 -10.846 1.00 0.00 N ATOM 1850 CA ILE A 119 -3.747 14.757 -10.858 1.00 0.00 C ATOM 1851 C ILE A 119 -4.048 15.403 -12.216 1.00 0.00 C ATOM 1852 O ILE A 119 -3.733 16.575 -12.459 1.00 0.00 O ATOM 1853 CB ILE A 119 -4.062 15.748 -9.667 1.00 0.00 C ATOM 1854 CG1 ILE A 119 -3.778 15.070 -8.285 1.00 0.00 C ATOM 1855 CG2 ILE A 119 -5.519 16.273 -9.725 1.00 0.00 C ATOM 1856 CD1 ILE A 119 -4.596 13.813 -7.999 1.00 0.00 C ATOM 0 H ILE A 119 -1.745 14.960 -10.342 1.00 0.00 H new ATOM 0 HA ILE A 119 -4.393 13.891 -10.715 1.00 0.00 H new ATOM 0 HB ILE A 119 -3.397 16.605 -9.777 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.719 14.815 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.969 15.797 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -5.695 16.951 -8.890 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -5.677 16.805 -10.663 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -6.211 15.433 -9.663 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.327 13.419 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.658 14.059 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.388 13.062 -8.762 1.00 0.00 H new ATOM 1868 N ILE A 120 -4.524 14.537 -13.128 1.00 0.00 N ATOM 1869 CA ILE A 120 -5.217 14.903 -14.393 1.00 0.00 C ATOM 1870 C ILE A 120 -4.233 15.260 -15.537 1.00 0.00 C ATOM 1871 O ILE A 120 -4.591 15.150 -16.716 1.00 0.00 O ATOM 1872 CB ILE A 120 -6.297 16.050 -14.167 1.00 0.00 C ATOM 1873 CG1 ILE A 120 -7.318 15.621 -13.051 1.00 0.00 C ATOM 1874 CG2 ILE A 120 -7.040 16.433 -15.478 1.00 0.00 C ATOM 1875 CD1 ILE A 120 -8.319 16.692 -12.652 1.00 0.00 C ATOM 0 H ILE A 120 -4.438 13.528 -13.008 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.752 14.009 -14.715 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.762 16.941 -13.839 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -7.865 14.744 -13.398 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -6.759 15.319 -12.165 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.765 17.219 -15.269 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.319 16.791 -16.213 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.557 15.558 -15.872 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -8.980 16.302 -11.878 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -7.787 17.563 -12.270 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -8.910 16.980 -13.522 1.00 0.00 H new ATOM 1887 N ARG A 121 -2.984 15.644 -15.192 1.00 0.00 N ATOM 1888 CA ARG A 121 -1.980 16.084 -16.184 1.00 0.00 C ATOM 1889 C ARG A 121 -1.576 14.926 -17.117 1.00 0.00 C ATOM 1890 O ARG A 121 -0.925 13.971 -16.679 1.00 0.00 O ATOM 1891 CB ARG A 121 -0.715 16.664 -15.499 1.00 0.00 C ATOM 1892 CG ARG A 121 -0.973 17.876 -14.583 1.00 0.00 C ATOM 1893 CD ARG A 121 0.329 18.564 -14.128 1.00 0.00 C ATOM 1894 NE ARG A 121 1.210 18.908 -15.270 1.00 0.00 N ATOM 1895 CZ ARG A 121 2.031 19.966 -15.341 1.00 0.00 C ATOM 1896 NH1 ARG A 121 2.060 20.882 -14.383 1.00 0.00 N ATOM 1897 NH2 ARG A 121 2.808 20.108 -16.399 1.00 0.00 N ATOM 0 H ARG A 121 -2.647 15.658 -14.229 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.445 16.872 -16.776 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.244 15.876 -14.911 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.002 16.955 -16.271 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.596 18.599 -15.110 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.533 17.551 -13.706 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.084 19.470 -13.574 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.865 17.907 -13.443 1.00 0.00 H new ATOM 0 HE ARG A 121 1.190 18.283 -16.075 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.450 20.790 -13.571 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.693 21.679 -14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.779 19.418 -17.149 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.437 20.908 -16.466 1.00 0.00 H new