USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 8 LYS NZ :NH3+ 160:sc= -0.0402 (180deg=-0.3) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= 0.723 (180deg=0.491) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0.627 (180deg=0.144) USER MOD Single : A 26 GLN : amide:sc= -0.629 K(o=-0.63,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ 131:sc= -0.503 (180deg=-2.14!) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= 0.188 (180deg=0.0529) USER MOD Single : A 36 SER OG : rot 180:sc= -0.426 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0111 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.289 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.99! C(o=-3!,f=-3.1!) USER MOD Single : A 66 ASN : amide:sc= -5.62! C(o=-5.6!,f=-7.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -155:sc= -0.39 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.97) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.308 3.903 11.683 1.00 0.00 N ATOM 67 CA LYS A 8 3.435 4.160 10.544 1.00 0.00 C ATOM 68 C LYS A 8 4.157 3.879 9.230 1.00 0.00 C ATOM 69 O LYS A 8 3.625 4.138 8.150 1.00 0.00 O ATOM 70 CB LYS A 8 2.943 5.609 10.569 1.00 0.00 C ATOM 71 CG LYS A 8 2.486 6.073 11.941 1.00 0.00 C ATOM 72 CD LYS A 8 1.086 5.576 12.260 1.00 0.00 C ATOM 73 CE LYS A 8 0.419 6.435 13.324 1.00 0.00 C ATOM 74 NZ LYS A 8 0.095 7.796 12.816 1.00 0.00 N ATOM 0 HA LYS A 8 2.578 3.491 10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.744 6.262 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.118 5.716 9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.182 5.713 12.698 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.505 7.162 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.481 5.583 11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.135 4.543 12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.495 5.947 13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.077 6.518 14.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.636 8.226 13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.951 8.387 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.257 7.728 11.840 1.00 0.00 H new ATOM 88 N VAL A 9 5.371 3.348 9.329 1.00 0.00 N ATOM 89 CA VAL A 9 6.165 3.030 8.148 1.00 0.00 C ATOM 90 C VAL A 9 6.844 1.672 8.292 1.00 0.00 C ATOM 91 O VAL A 9 6.816 1.061 9.360 1.00 0.00 O ATOM 92 CB VAL A 9 7.239 4.103 7.888 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.628 5.495 7.947 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.378 3.969 8.888 1.00 0.00 C ATOM 0 H VAL A 9 5.827 3.129 10.215 1.00 0.00 H new ATOM 0 HA VAL A 9 5.478 3.002 7.303 1.00 0.00 H new ATOM 0 HB VAL A 9 7.644 3.952 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.402 6.240 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.850 5.583 7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.194 5.661 8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.128 4.735 8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.991 4.093 9.899 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.832 2.983 8.792 1.00 0.00 H new ATOM 104 N LYS A 10 7.453 1.204 7.208 1.00 0.00 N ATOM 105 CA LYS A 10 8.141 -0.081 7.211 1.00 0.00 C ATOM 106 C LYS A 10 8.924 -0.283 5.918 1.00 0.00 C ATOM 107 O LYS A 10 8.515 0.183 4.854 1.00 0.00 O ATOM 108 CB LYS A 10 7.136 -1.221 7.395 1.00 0.00 C ATOM 109 CG LYS A 10 7.736 -2.464 8.029 1.00 0.00 C ATOM 110 CD LYS A 10 6.969 -3.716 7.634 1.00 0.00 C ATOM 111 CE LYS A 10 7.712 -4.977 8.047 1.00 0.00 C ATOM 112 NZ LYS A 10 8.963 -5.167 7.262 1.00 0.00 N ATOM 0 H LYS A 10 7.484 1.696 6.315 1.00 0.00 H new ATOM 0 HA LYS A 10 8.843 -0.086 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.310 -0.870 8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.717 -1.485 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.778 -2.563 7.724 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.730 -2.359 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.984 -3.703 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.811 -3.722 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.954 -4.924 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.063 -5.842 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.323 -6.131 7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.764 -5.023 6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.677 -4.479 7.575 1.00 0.00 H new ATOM 126 N SER A 11 10.051 -0.981 6.016 1.00 0.00 N ATOM 127 CA SER A 11 10.892 -1.242 4.853 1.00 0.00 C ATOM 128 C SER A 11 11.640 -2.563 5.010 1.00 0.00 C ATOM 129 O SER A 11 12.028 -2.942 6.114 1.00 0.00 O ATOM 130 CB SER A 11 11.889 -0.100 4.651 1.00 0.00 C ATOM 131 OG SER A 11 12.822 -0.043 5.716 1.00 0.00 O ATOM 0 H SER A 11 10.403 -1.376 6.888 1.00 0.00 H new ATOM 0 HA SER A 11 10.247 -1.311 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.417 -0.237 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.353 0.847 4.582 1.00 0.00 H new ATOM 0 HG SER A 11 13.449 0.694 5.562 1.00 0.00 H new ATOM 137 N GLY A 12 11.837 -3.260 3.895 1.00 0.00 N ATOM 138 CA GLY A 12 12.537 -4.530 3.928 1.00 0.00 C ATOM 139 C GLY A 12 12.543 -5.225 2.581 1.00 0.00 C ATOM 140 O GLY A 12 11.736 -4.907 1.708 1.00 0.00 O ATOM 0 H GLY A 12 11.524 -2.967 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.564 -4.366 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.068 -5.180 4.667 1.00 0.00 H new ATOM 144 N TRP A 13 13.457 -6.173 2.410 1.00 0.00 N ATOM 145 CA TRP A 13 13.566 -6.914 1.158 1.00 0.00 C ATOM 146 C TRP A 13 12.321 -7.762 0.917 1.00 0.00 C ATOM 147 O TRP A 13 12.004 -8.653 1.705 1.00 0.00 O ATOM 148 CB TRP A 13 14.809 -7.804 1.174 1.00 0.00 C ATOM 149 CG TRP A 13 16.093 -7.030 1.190 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.948 -6.884 2.245 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.665 -6.296 0.102 1.00 0.00 C ATOM 152 NE1 TRP A 13 18.018 -6.103 1.878 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.868 -5.730 0.568 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.279 -6.063 -1.220 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.685 -4.946 -0.242 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.091 -5.285 -2.024 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.283 -4.735 -1.533 1.00 0.00 C ATOM 0 H TRP A 13 14.134 -6.447 3.122 1.00 0.00 H new ATOM 0 HA TRP A 13 13.655 -6.193 0.345 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.772 -8.452 2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.795 -8.452 0.298 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.805 -7.318 3.223 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.797 -5.843 2.483 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.363 -6.483 -1.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.603 -4.520 0.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.802 -5.098 -3.048 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.897 -4.133 -2.187 1.00 0.00 H new ATOM 168 N LEU A 14 11.621 -7.479 -0.176 1.00 0.00 N ATOM 169 CA LEU A 14 10.411 -8.217 -0.520 1.00 0.00 C ATOM 170 C LEU A 14 10.526 -8.834 -1.910 1.00 0.00 C ATOM 171 O LEU A 14 10.922 -8.166 -2.866 1.00 0.00 O ATOM 172 CB LEU A 14 9.192 -7.294 -0.459 1.00 0.00 C ATOM 173 CG LEU A 14 8.798 -6.794 0.931 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.815 -5.638 0.823 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.204 -7.926 1.757 1.00 0.00 C ATOM 0 H LEU A 14 11.870 -6.745 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 14 10.287 -9.021 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.384 -6.429 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.340 -7.821 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 14 9.695 -6.436 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.546 -5.295 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.275 -4.819 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.919 -5.970 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.929 -7.552 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.317 -8.315 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.939 -8.723 1.864 1.00 0.00 H new ATOM 187 N ASP A 15 10.177 -10.111 -2.016 1.00 0.00 N ATOM 188 CA ASP A 15 10.238 -10.818 -3.290 1.00 0.00 C ATOM 189 C ASP A 15 9.080 -10.409 -4.195 1.00 0.00 C ATOM 190 O ASP A 15 7.958 -10.894 -4.042 1.00 0.00 O ATOM 191 CB ASP A 15 10.213 -12.330 -3.060 1.00 0.00 C ATOM 192 CG ASP A 15 11.593 -12.898 -2.790 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.418 -12.921 -3.727 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.848 -13.320 -1.643 1.00 0.00 O ATOM 0 H ASP A 15 9.849 -10.678 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 15 11.172 -10.549 -3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.559 -12.556 -2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.786 -12.821 -3.935 1.00 0.00 H new ATOM 199 N LYS A 16 9.359 -9.514 -5.136 1.00 0.00 N ATOM 200 CA LYS A 16 8.342 -9.039 -6.066 1.00 0.00 C ATOM 201 C LYS A 16 8.281 -9.927 -7.305 1.00 0.00 C ATOM 202 O LYS A 16 9.301 -10.442 -7.763 1.00 0.00 O ATOM 203 CB LYS A 16 8.631 -7.593 -6.475 1.00 0.00 C ATOM 204 CG LYS A 16 7.419 -6.864 -7.029 1.00 0.00 C ATOM 205 CD LYS A 16 7.821 -5.793 -8.029 1.00 0.00 C ATOM 206 CE LYS A 16 6.684 -4.816 -8.286 1.00 0.00 C ATOM 207 NZ LYS A 16 6.714 -3.668 -7.338 1.00 0.00 N ATOM 0 H LYS A 16 10.282 -9.103 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 16 7.376 -9.081 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.008 -7.048 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.422 -7.587 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.751 -7.579 -7.509 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.862 -6.408 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.690 -5.252 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.118 -6.262 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.749 -4.444 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.731 -5.337 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.742 -3.412 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.247 -3.935 -6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.174 -2.854 -7.793 1.00 0.00 H new ATOM 221 N LEU A 17 7.079 -10.100 -7.845 1.00 0.00 N ATOM 222 CA LEU A 17 6.885 -10.924 -9.033 1.00 0.00 C ATOM 223 C LEU A 17 6.666 -10.056 -10.268 1.00 0.00 C ATOM 224 O LEU A 17 5.555 -9.970 -10.789 1.00 0.00 O ATOM 225 CB LEU A 17 5.693 -11.863 -8.837 1.00 0.00 C ATOM 226 CG LEU A 17 5.571 -13.011 -9.840 1.00 0.00 C ATOM 227 CD1 LEU A 17 4.835 -14.187 -9.218 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.863 -12.542 -11.103 1.00 0.00 C ATOM 0 H LEU A 17 6.224 -9.681 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 17 7.786 -11.518 -9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.751 -12.287 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.779 -11.271 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 17 6.574 -13.340 -10.111 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.758 -14.994 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.383 -14.538 -8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.836 -13.873 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.785 -13.372 -11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.864 -12.186 -10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.432 -11.732 -11.560 1.00 0.00 H new ATOM 372 N GLN A 26 11.729 -11.780 -8.137 1.00 0.00 N ATOM 373 CA GLN A 26 12.656 -10.666 -8.295 1.00 0.00 C ATOM 374 C GLN A 26 12.846 -9.924 -6.976 1.00 0.00 C ATOM 375 O GLN A 26 11.890 -9.402 -6.402 1.00 0.00 O ATOM 376 CB GLN A 26 12.149 -9.701 -9.368 1.00 0.00 C ATOM 377 CG GLN A 26 12.514 -10.119 -10.783 1.00 0.00 C ATOM 378 CD GLN A 26 13.996 -10.393 -10.947 1.00 0.00 C ATOM 379 OE1 GLN A 26 14.828 -9.808 -10.253 1.00 0.00 O ATOM 380 NE2 GLN A 26 14.335 -11.288 -11.868 1.00 0.00 N ATOM 0 HA GLN A 26 13.620 -11.070 -8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.065 -9.621 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.557 -8.709 -9.174 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.951 -11.014 -11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.214 -9.335 -11.478 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.613 -11.749 -12.421 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.318 -11.514 -12.022 1.00 0.00 H new ATOM 389 N LYS A 27 14.086 -9.882 -6.499 1.00 0.00 N ATOM 390 CA LYS A 27 14.402 -9.204 -5.248 1.00 0.00 C ATOM 391 C LYS A 27 14.554 -7.702 -5.467 1.00 0.00 C ATOM 392 O LYS A 27 15.432 -7.259 -6.208 1.00 0.00 O ATOM 393 CB LYS A 27 15.688 -9.775 -4.646 1.00 0.00 C ATOM 394 CG LYS A 27 15.963 -9.293 -3.232 1.00 0.00 C ATOM 395 CD LYS A 27 17.056 -10.113 -2.566 1.00 0.00 C ATOM 396 CE LYS A 27 16.508 -11.412 -1.994 1.00 0.00 C ATOM 397 NZ LYS A 27 16.510 -12.507 -3.003 1.00 0.00 N ATOM 0 H LYS A 27 14.889 -10.310 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 27 13.578 -9.371 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.627 -10.863 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.529 -9.504 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.257 -8.244 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.049 -9.355 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.839 -10.335 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.516 -9.529 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.106 -11.710 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.491 -11.251 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.942 -13.358 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.532 -12.718 -3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.057 -12.210 -3.836 1.00 0.00 H new ATOM 411 N ARG A 28 13.695 -6.924 -4.818 1.00 0.00 N ATOM 412 CA ARG A 28 13.734 -5.471 -4.942 1.00 0.00 C ATOM 413 C ARG A 28 13.368 -4.803 -3.620 1.00 0.00 C ATOM 414 O ARG A 28 12.395 -5.184 -2.969 1.00 0.00 O ATOM 415 CB ARG A 28 12.779 -5.006 -6.043 1.00 0.00 C ATOM 416 CG ARG A 28 13.433 -4.900 -7.411 1.00 0.00 C ATOM 417 CD ARG A 28 12.444 -5.203 -8.525 1.00 0.00 C ATOM 418 NE ARG A 28 12.771 -4.488 -9.756 1.00 0.00 N ATOM 419 CZ ARG A 28 11.965 -4.435 -10.812 1.00 0.00 C ATOM 420 NH1 ARG A 28 10.791 -5.051 -10.785 1.00 0.00 N ATOM 421 NH2 ARG A 28 12.334 -3.765 -11.896 1.00 0.00 N ATOM 0 H ARG A 28 12.963 -7.275 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 28 14.751 -5.181 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.941 -5.701 -6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.368 -4.034 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.838 -3.897 -7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.272 -5.593 -7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.435 -6.275 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.439 -4.929 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 28 13.667 -4.003 -9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.505 -5.567 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.174 -5.009 -11.596 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.236 -3.290 -11.920 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.715 -3.725 -12.706 1.00 0.00 H new ATOM 435 N TRP A 29 14.154 -3.806 -3.230 1.00 0.00 N ATOM 436 CA TRP A 29 13.913 -3.085 -1.985 1.00 0.00 C ATOM 437 C TRP A 29 12.560 -2.381 -2.017 1.00 0.00 C ATOM 438 O TRP A 29 12.161 -1.827 -3.041 1.00 0.00 O ATOM 439 CB TRP A 29 15.026 -2.065 -1.739 1.00 0.00 C ATOM 440 CG TRP A 29 14.882 -1.331 -0.440 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.173 -0.185 -0.220 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.464 -1.693 0.818 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.279 0.188 1.099 1.00 0.00 N ATOM 444 CE2 TRP A 29 15.065 -0.722 1.756 1.00 0.00 C ATOM 445 CE3 TRP A 29 16.281 -2.744 1.242 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.457 -0.771 3.091 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.669 -2.792 2.568 1.00 0.00 C ATOM 448 CH2 TRP A 29 16.257 -1.811 3.480 1.00 0.00 C ATOM 0 H TRP A 29 14.963 -3.478 -3.757 1.00 0.00 H new ATOM 0 HA TRP A 29 13.906 -3.809 -1.170 1.00 0.00 H new ATOM 0 HB2 TRP A 29 15.988 -2.577 -1.754 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.036 -1.344 -2.556 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.611 0.350 -0.972 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.843 1.009 1.520 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.603 -3.505 0.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.141 -0.015 3.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 17.301 -3.600 2.907 1.00 0.00 H new ATOM 0 HH2 TRP A 29 16.577 -1.877 4.509 1.00 0.00 H new ATOM 459 N VAL A 30 11.858 -2.407 -0.889 1.00 0.00 N ATOM 460 CA VAL A 30 10.550 -1.771 -0.787 1.00 0.00 C ATOM 461 C VAL A 30 10.431 -0.961 0.499 1.00 0.00 C ATOM 462 O VAL A 30 10.834 -1.414 1.570 1.00 0.00 O ATOM 463 CB VAL A 30 9.415 -2.811 -0.833 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.059 -2.121 -0.866 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.583 -3.731 -2.033 1.00 0.00 C ATOM 0 H VAL A 30 12.173 -2.862 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 30 10.455 -1.103 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 30 9.466 -3.418 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.269 -2.872 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.941 -1.508 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.994 -1.488 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.772 -4.459 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.560 -3.141 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.538 -4.252 -1.961 1.00 0.00 H new ATOM 475 N LYS A 31 9.875 0.240 0.385 1.00 0.00 N ATOM 476 CA LYS A 31 9.700 1.115 1.539 1.00 0.00 C ATOM 477 C LYS A 31 8.363 1.846 1.470 1.00 0.00 C ATOM 478 O LYS A 31 7.831 2.086 0.386 1.00 0.00 O ATOM 479 CB LYS A 31 10.844 2.128 1.614 1.00 0.00 C ATOM 480 CG LYS A 31 10.605 3.242 2.619 1.00 0.00 C ATOM 481 CD LYS A 31 11.911 3.862 3.086 1.00 0.00 C ATOM 482 CE LYS A 31 11.669 5.012 4.051 1.00 0.00 C ATOM 483 NZ LYS A 31 11.521 6.312 3.339 1.00 0.00 N ATOM 0 H LYS A 31 9.538 0.630 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 31 9.710 0.497 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.764 1.606 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.995 2.566 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.977 4.011 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.061 2.848 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.523 3.101 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.473 4.221 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.770 4.813 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.499 5.076 4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.746 7.092 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.171 6.340 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.542 6.414 3.002 1.00 0.00 H new ATOM 497 N PHE A 32 7.826 2.199 2.633 1.00 0.00 N ATOM 498 CA PHE A 32 6.551 2.904 2.704 1.00 0.00 C ATOM 499 C PHE A 32 6.671 4.159 3.563 1.00 0.00 C ATOM 500 O PHE A 32 7.444 4.198 4.521 1.00 0.00 O ATOM 501 CB PHE A 32 5.467 1.985 3.272 1.00 0.00 C ATOM 502 CG PHE A 32 4.111 2.628 3.338 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.505 3.117 2.192 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.442 2.742 4.546 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.258 3.709 2.250 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.195 3.333 4.610 1.00 0.00 C ATOM 507 CZ PHE A 32 1.601 3.816 3.460 1.00 0.00 C ATOM 0 H PHE A 32 8.254 2.009 3.539 1.00 0.00 H new ATOM 0 HA PHE A 32 6.272 3.202 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.405 1.087 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.759 1.667 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.013 3.034 1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.901 2.364 5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.797 4.088 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.685 3.417 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.625 4.276 3.507 1.00 0.00 H new ATOM 517 N ASP A 33 5.902 5.184 3.212 1.00 0.00 N ATOM 518 CA ASP A 33 5.920 6.442 3.951 1.00 0.00 C ATOM 519 C ASP A 33 4.528 6.789 4.468 1.00 0.00 C ATOM 520 O ASP A 33 4.367 7.219 5.609 1.00 0.00 O ATOM 521 CB ASP A 33 6.444 7.571 3.063 1.00 0.00 C ATOM 522 CG ASP A 33 7.958 7.650 3.060 1.00 0.00 C ATOM 523 OD1 ASP A 33 8.587 6.946 2.243 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.514 8.416 3.875 1.00 0.00 O ATOM 0 H ASP A 33 5.259 5.169 2.421 1.00 0.00 H new ATOM 0 HA ASP A 33 6.586 6.323 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.089 7.422 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.034 8.520 3.408 1.00 0.00 H new ATOM 529 N GLY A 34 3.522 6.600 3.618 1.00 0.00 N ATOM 530 CA GLY A 34 2.156 6.899 4.007 1.00 0.00 C ATOM 531 C GLY A 34 1.285 7.273 2.824 1.00 0.00 C ATOM 532 O GLY A 34 0.060 7.169 2.888 1.00 0.00 O ATOM 0 H GLY A 34 3.629 6.245 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.727 6.033 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.157 7.718 4.727 1.00 0.00 H new ATOM 536 N LEU A 35 1.918 7.712 1.741 1.00 0.00 N ATOM 537 CA LEU A 35 1.193 8.105 0.538 1.00 0.00 C ATOM 538 C LEU A 35 1.357 7.062 -0.562 1.00 0.00 C ATOM 539 O LEU A 35 0.401 6.726 -1.261 1.00 0.00 O ATOM 540 CB LEU A 35 1.685 9.466 0.044 1.00 0.00 C ATOM 541 CG LEU A 35 1.023 10.690 0.678 1.00 0.00 C ATOM 542 CD1 LEU A 35 1.930 11.906 0.565 1.00 0.00 C ATOM 543 CD2 LEU A 35 -0.324 10.965 0.026 1.00 0.00 C ATOM 0 H LEU A 35 2.931 7.805 1.672 1.00 0.00 H new ATOM 0 HA LEU A 35 0.135 8.178 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.759 9.527 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.535 9.515 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 35 0.857 10.483 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.442 12.767 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.871 11.707 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.128 12.116 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.781 11.839 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.182 11.151 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.976 10.102 0.159 1.00 0.00 H new ATOM 555 N SER A 36 2.575 6.551 -0.709 1.00 0.00 N ATOM 556 CA SER A 36 2.866 5.546 -1.725 1.00 0.00 C ATOM 557 C SER A 36 4.061 4.690 -1.317 1.00 0.00 C ATOM 558 O SER A 36 4.782 5.021 -0.375 1.00 0.00 O ATOM 559 CB SER A 36 3.142 6.217 -3.072 1.00 0.00 C ATOM 560 OG SER A 36 2.250 7.296 -3.296 1.00 0.00 O ATOM 0 H SER A 36 3.377 6.816 -0.137 1.00 0.00 H new ATOM 0 HA SER A 36 1.994 4.899 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.170 6.579 -3.098 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.042 5.485 -3.874 1.00 0.00 H new ATOM 0 HG SER A 36 2.448 7.709 -4.162 1.00 0.00 H new ATOM 566 N ILE A 37 4.263 3.588 -2.032 1.00 0.00 N ATOM 567 CA ILE A 37 5.371 2.685 -1.745 1.00 0.00 C ATOM 568 C ILE A 37 6.472 2.816 -2.792 1.00 0.00 C ATOM 569 O ILE A 37 6.264 2.516 -3.968 1.00 0.00 O ATOM 570 CB ILE A 37 4.902 1.219 -1.691 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.826 1.045 -0.617 1.00 0.00 C ATOM 572 CG2 ILE A 37 6.080 0.296 -1.422 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.916 -0.140 -0.859 1.00 0.00 C ATOM 0 H ILE A 37 3.674 3.299 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 37 5.765 2.969 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 37 4.472 0.954 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.308 0.930 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.223 1.952 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.733 -0.737 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.816 0.404 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.537 0.558 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.178 -0.202 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.406 -0.018 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.508 -1.055 -0.878 1.00 0.00 H new ATOM 585 N SER A 38 7.645 3.265 -2.356 1.00 0.00 N ATOM 586 CA SER A 38 8.779 3.437 -3.256 1.00 0.00 C ATOM 587 C SER A 38 9.694 2.217 -3.216 1.00 0.00 C ATOM 588 O SER A 38 10.334 1.940 -2.202 1.00 0.00 O ATOM 589 CB SER A 38 9.568 4.693 -2.881 1.00 0.00 C ATOM 590 OG SER A 38 8.821 5.866 -3.156 1.00 0.00 O ATOM 0 H SER A 38 7.834 3.516 -1.386 1.00 0.00 H new ATOM 0 HA SER A 38 8.394 3.547 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.825 4.662 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.506 4.717 -3.436 1.00 0.00 H new ATOM 0 HG SER A 38 9.346 6.655 -2.906 1.00 0.00 H new ATOM 596 N TYR A 39 9.751 1.492 -4.328 1.00 0.00 N ATOM 597 CA TYR A 39 10.586 0.300 -4.421 1.00 0.00 C ATOM 598 C TYR A 39 11.667 0.474 -5.483 1.00 0.00 C ATOM 599 O TYR A 39 11.375 0.783 -6.639 1.00 0.00 O ATOM 600 CB TYR A 39 9.728 -0.924 -4.746 1.00 0.00 C ATOM 601 CG TYR A 39 9.082 -0.866 -6.111 1.00 0.00 C ATOM 602 CD1 TYR A 39 7.844 -0.261 -6.290 1.00 0.00 C ATOM 603 CD2 TYR A 39 9.709 -1.416 -7.222 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.249 -0.206 -7.536 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.122 -1.364 -8.472 1.00 0.00 C ATOM 606 CZ TYR A 39 7.892 -0.759 -8.624 1.00 0.00 C ATOM 607 OH TYR A 39 7.304 -0.706 -9.866 1.00 0.00 O ATOM 0 H TYR A 39 9.229 1.709 -5.177 1.00 0.00 H new ATOM 0 HA TYR A 39 11.071 0.150 -3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.348 -1.818 -4.685 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.950 -1.023 -3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.338 0.174 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.671 -1.892 -7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.286 0.267 -7.657 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.624 -1.795 -9.326 1.00 0.00 H new ATOM 0 HH TYR A 39 7.888 -1.140 -10.523 1.00 0.00 H new ATOM 617 N TYR A 40 12.918 0.272 -5.083 1.00 0.00 N ATOM 618 CA TYR A 40 14.044 0.407 -5.999 1.00 0.00 C ATOM 619 C TYR A 40 14.732 -0.937 -6.220 1.00 0.00 C ATOM 620 O TYR A 40 14.462 -1.907 -5.513 1.00 0.00 O ATOM 621 CB TYR A 40 15.050 1.424 -5.457 1.00 0.00 C ATOM 622 CG TYR A 40 14.419 2.511 -4.616 1.00 0.00 C ATOM 623 CD1 TYR A 40 14.008 2.259 -3.313 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.234 3.791 -5.125 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.431 3.249 -2.542 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.658 4.787 -4.361 1.00 0.00 C ATOM 627 CZ TYR A 40 13.258 4.511 -3.070 1.00 0.00 C ATOM 628 OH TYR A 40 12.684 5.501 -2.305 1.00 0.00 O ATOM 0 H TYR A 40 13.177 0.014 -4.131 1.00 0.00 H new ATOM 0 HA TYR A 40 13.660 0.760 -6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.796 0.901 -4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.576 1.883 -6.294 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.142 1.272 -2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.546 4.011 -6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.117 3.036 -1.531 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.522 5.776 -4.772 1.00 0.00 H new ATOM 0 HH TYR A 40 12.636 6.330 -2.825 1.00 0.00 H new ATOM 789 N GLY A 50 9.258 3.256 -10.559 1.00 0.00 N ATOM 790 CA GLY A 50 8.349 2.254 -10.033 1.00 0.00 C ATOM 791 C GLY A 50 7.834 2.607 -8.652 1.00 0.00 C ATOM 792 O GLY A 50 8.559 2.491 -7.664 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.505 2.140 -10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.858 1.291 -9.992 1.00 0.00 H new ATOM 796 N ILE A 51 6.579 3.039 -8.583 1.00 0.00 N ATOM 797 CA ILE A 51 5.968 3.410 -7.313 1.00 0.00 C ATOM 798 C ILE A 51 4.487 3.049 -7.289 1.00 0.00 C ATOM 799 O ILE A 51 3.796 3.152 -8.303 1.00 0.00 O ATOM 800 CB ILE A 51 6.123 4.916 -7.032 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.616 5.251 -5.628 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.375 5.729 -8.079 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.184 6.537 -5.071 1.00 0.00 C ATOM 0 H ILE A 51 5.966 3.141 -9.392 1.00 0.00 H new ATOM 0 HA ILE A 51 6.489 2.849 -6.537 1.00 0.00 H new ATOM 0 HB ILE A 51 7.181 5.174 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.529 5.324 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.867 4.431 -4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.494 6.792 -7.867 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.778 5.509 -9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.317 5.470 -8.053 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.781 6.711 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.270 6.461 -5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.911 7.367 -5.722 1.00 0.00 H new ATOM 815 N ILE A 52 4.005 2.627 -6.124 1.00 0.00 N ATOM 816 CA ILE A 52 2.605 2.254 -5.968 1.00 0.00 C ATOM 817 C ILE A 52 1.864 3.257 -5.090 1.00 0.00 C ATOM 818 O ILE A 52 2.119 3.378 -3.891 1.00 0.00 O ATOM 819 CB ILE A 52 2.462 0.848 -5.355 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.218 -0.179 -6.200 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.993 0.469 -5.238 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.498 -1.474 -5.470 1.00 0.00 C ATOM 0 H ILE A 52 4.563 2.535 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 52 2.165 2.253 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 52 2.895 0.857 -4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.639 -0.395 -7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.163 0.256 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.908 -0.527 -4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.481 1.189 -4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.536 0.473 -6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.036 -2.155 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.103 -1.270 -4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.556 -1.932 -5.167 1.00 0.00 H new ATOM 834 N PRO A 53 0.921 3.993 -5.698 1.00 0.00 N ATOM 835 CA PRO A 53 0.122 4.996 -4.990 1.00 0.00 C ATOM 836 C PRO A 53 -0.863 4.367 -4.010 1.00 0.00 C ATOM 837 O PRO A 53 -1.664 3.509 -4.384 1.00 0.00 O ATOM 838 CB PRO A 53 -0.628 5.711 -6.116 1.00 0.00 C ATOM 839 CG PRO A 53 -0.699 4.712 -7.219 1.00 0.00 C ATOM 840 CD PRO A 53 0.564 3.901 -7.123 1.00 0.00 C ATOM 0 HA PRO A 53 0.742 5.657 -4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.624 6.018 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.102 6.612 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.579 4.078 -7.115 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.774 5.205 -8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.403 2.868 -7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.350 4.305 -7.761 1.00 0.00 H new ATOM 848 N LEU A 54 -0.799 4.798 -2.755 1.00 0.00 N ATOM 849 CA LEU A 54 -1.686 4.277 -1.721 1.00 0.00 C ATOM 850 C LEU A 54 -3.124 4.205 -2.222 1.00 0.00 C ATOM 851 O LEU A 54 -3.888 3.327 -1.822 1.00 0.00 O ATOM 852 CB LEU A 54 -1.613 5.154 -0.470 1.00 0.00 C ATOM 853 CG LEU A 54 -2.687 4.903 0.589 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.423 3.595 1.318 1.00 0.00 C ATOM 855 CD2 LEU A 54 -2.747 6.062 1.574 1.00 0.00 C ATOM 0 H LEU A 54 -0.142 5.507 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.358 3.268 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.636 5.013 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.672 6.198 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.652 4.828 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.198 3.434 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.432 2.772 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.450 3.641 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.517 5.866 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.782 6.170 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.986 6.982 1.040 1.00 0.00 H new ATOM 867 N SER A 55 -3.486 5.133 -3.103 1.00 0.00 N ATOM 868 CA SER A 55 -4.833 5.176 -3.658 1.00 0.00 C ATOM 869 C SER A 55 -5.137 3.904 -4.444 1.00 0.00 C ATOM 870 O SER A 55 -6.231 3.349 -4.349 1.00 0.00 O ATOM 871 CB SER A 55 -4.996 6.399 -4.563 1.00 0.00 C ATOM 872 OG SER A 55 -3.961 6.460 -5.529 1.00 0.00 O ATOM 0 H SER A 55 -2.865 5.865 -3.447 1.00 0.00 H new ATOM 0 HA SER A 55 -5.538 5.249 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.963 6.358 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.988 7.306 -3.959 1.00 0.00 H new ATOM 0 HG SER A 55 -4.089 7.249 -6.096 1.00 0.00 H new ATOM 878 N ALA A 56 -4.160 3.449 -5.222 1.00 0.00 N ATOM 879 CA ALA A 56 -4.321 2.242 -6.023 1.00 0.00 C ATOM 880 C ALA A 56 -4.773 1.067 -5.162 1.00 0.00 C ATOM 881 O ALA A 56 -5.682 0.326 -5.536 1.00 0.00 O ATOM 882 CB ALA A 56 -3.021 1.905 -6.737 1.00 0.00 C ATOM 0 H ALA A 56 -3.249 3.898 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.094 2.431 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.156 1.001 -7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.740 2.731 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.234 1.741 -6.001 1.00 0.00 H new ATOM 888 N ILE A 57 -4.133 0.904 -4.009 1.00 0.00 N ATOM 889 CA ILE A 57 -4.471 -0.181 -3.096 1.00 0.00 C ATOM 890 C ILE A 57 -5.951 -0.150 -2.729 1.00 0.00 C ATOM 891 O ILE A 57 -6.368 0.608 -1.853 1.00 0.00 O ATOM 892 CB ILE A 57 -3.632 -0.112 -1.806 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.139 -0.132 -2.141 1.00 0.00 C ATOM 894 CG2 ILE A 57 -3.989 -1.266 -0.881 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.252 0.220 -0.967 1.00 0.00 C ATOM 0 H ILE A 57 -3.378 1.509 -3.685 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.248 -1.113 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.857 0.823 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.870 -1.123 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.948 0.569 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.388 -1.204 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.046 -1.210 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.789 -2.212 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.208 0.186 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.494 1.223 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.415 -0.495 -0.161 1.00 0.00 H new ATOM 907 N SER A 58 -6.740 -0.980 -3.403 1.00 0.00 N ATOM 908 CA SER A 58 -8.174 -1.047 -3.150 1.00 0.00 C ATOM 909 C SER A 58 -8.470 -1.904 -1.923 1.00 0.00 C ATOM 910 O SER A 58 -9.243 -1.513 -1.048 1.00 0.00 O ATOM 911 CB SER A 58 -8.903 -1.613 -4.370 1.00 0.00 C ATOM 912 OG SER A 58 -9.211 -0.590 -5.301 1.00 0.00 O ATOM 0 H SER A 58 -6.410 -1.616 -4.129 1.00 0.00 H new ATOM 0 HA SER A 58 -8.532 -0.035 -2.959 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.282 -2.370 -4.849 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.821 -2.108 -4.052 1.00 0.00 H new ATOM 0 HG SER A 58 -9.675 -0.978 -6.072 1.00 0.00 H new ATOM 918 N THR A 59 -7.847 -3.078 -1.865 1.00 0.00 N ATOM 919 CA THR A 59 -8.043 -3.992 -0.747 1.00 0.00 C ATOM 920 C THR A 59 -6.869 -4.955 -0.612 1.00 0.00 C ATOM 921 O THR A 59 -6.243 -5.329 -1.604 1.00 0.00 O ATOM 922 CB THR A 59 -9.343 -4.804 -0.906 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.646 -5.487 0.315 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.216 -5.811 -2.039 1.00 0.00 C ATOM 0 H THR A 59 -7.203 -3.417 -2.579 1.00 0.00 H new ATOM 0 HA THR A 59 -8.113 -3.380 0.153 1.00 0.00 H new ATOM 0 HB THR A 59 -10.151 -4.113 -1.145 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.474 -5.999 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.146 -6.373 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.014 -5.285 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.397 -6.498 -1.825 1.00 0.00 H new ATOM 932 N VAL A 60 -6.576 -5.355 0.621 1.00 0.00 N ATOM 933 CA VAL A 60 -5.477 -6.276 0.885 1.00 0.00 C ATOM 934 C VAL A 60 -5.980 -7.556 1.544 1.00 0.00 C ATOM 935 O VAL A 60 -6.826 -7.515 2.438 1.00 0.00 O ATOM 936 CB VAL A 60 -4.409 -5.632 1.789 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.269 -6.606 2.046 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.891 -4.345 1.166 1.00 0.00 C ATOM 0 H VAL A 60 -7.084 -5.056 1.453 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.028 -6.518 -0.078 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.868 -5.387 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.524 -6.134 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.657 -7.498 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.808 -6.885 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.137 -3.903 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.448 -4.564 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.716 -3.645 1.039 1.00 0.00 H new ATOM 948 N ARG A 61 -5.453 -8.691 1.098 1.00 0.00 N ATOM 949 CA ARG A 61 -5.849 -9.984 1.644 1.00 0.00 C ATOM 950 C ARG A 61 -4.672 -10.955 1.649 1.00 0.00 C ATOM 951 O ARG A 61 -3.810 -10.907 0.772 1.00 0.00 O ATOM 952 CB ARG A 61 -7.005 -10.571 0.833 1.00 0.00 C ATOM 953 CG ARG A 61 -6.659 -10.824 -0.626 1.00 0.00 C ATOM 954 CD ARG A 61 -7.880 -11.263 -1.420 1.00 0.00 C ATOM 955 NE ARG A 61 -8.237 -12.653 -1.150 1.00 0.00 N ATOM 956 CZ ARG A 61 -8.985 -13.034 -0.121 1.00 0.00 C ATOM 957 NH1 ARG A 61 -9.454 -12.133 0.731 1.00 0.00 N ATOM 958 NH2 ARG A 61 -9.267 -14.318 0.057 1.00 0.00 N ATOM 0 H ARG A 61 -4.751 -8.742 0.360 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.176 -9.832 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.320 -11.509 1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.855 -9.891 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.245 -9.917 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.887 -11.591 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.723 -10.618 -1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.684 -11.139 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.893 -13.371 -1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.241 -11.145 0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.028 -12.428 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.909 -15.014 -0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.842 -14.609 0.848 1.00 0.00 H new ATOM 972 N VAL A 62 -4.643 -11.835 2.645 1.00 0.00 N ATOM 973 CA VAL A 62 -3.572 -12.818 2.765 1.00 0.00 C ATOM 974 C VAL A 62 -3.791 -13.988 1.812 1.00 0.00 C ATOM 975 O VAL A 62 -4.918 -14.446 1.626 1.00 0.00 O ATOM 976 CB VAL A 62 -3.463 -13.357 4.204 1.00 0.00 C ATOM 977 CG1 VAL A 62 -2.871 -12.302 5.125 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.825 -13.811 4.707 1.00 0.00 C ATOM 0 H VAL A 62 -5.348 -11.887 3.380 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.644 -12.308 2.504 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.796 -14.219 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.802 -12.700 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.876 -12.029 4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.510 -11.419 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.730 -14.189 5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.516 -12.968 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.206 -14.602 4.061 1.00 0.00 H new ATOM 988 N GLN A 63 -2.706 -14.466 1.211 1.00 0.00 N ATOM 989 CA GLN A 63 -2.780 -15.582 0.277 1.00 0.00 C ATOM 990 C GLN A 63 -1.496 -16.406 0.310 1.00 0.00 C ATOM 991 O GLN A 63 -0.401 -15.862 0.441 1.00 0.00 O ATOM 992 CB GLN A 63 -3.035 -15.071 -1.142 1.00 0.00 C ATOM 993 CG GLN A 63 -2.102 -13.946 -1.561 1.00 0.00 C ATOM 994 CD GLN A 63 -1.963 -13.833 -3.066 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.639 -14.535 -3.818 1.00 0.00 O ATOM 996 NE2 GLN A 63 -1.082 -12.946 -3.514 1.00 0.00 N ATOM 0 H GLN A 63 -1.766 -14.098 1.355 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.609 -16.222 0.580 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.929 -15.900 -1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.065 -14.723 -1.214 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.475 -13.002 -1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.119 -14.112 -1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.543 -12.385 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.945 -12.826 -4.518 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.641 -17.723 0.191 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.485 -18.600 0.211 1.00 0.00 C ATOM 1007 C GLY A 64 0.262 -18.546 1.529 1.00 0.00 C ATOM 1008 O GLY A 64 -0.320 -18.230 2.567 1.00 0.00 O ATOM 0 H GLY A 64 -2.537 -18.197 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.807 -19.624 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.191 -18.323 -0.598 1.00 0.00 H new ATOM 1012 N ASP A 65 1.553 -18.856 1.488 1.00 0.00 N ATOM 1013 CA ASP A 65 2.381 -18.841 2.689 1.00 0.00 C ATOM 1014 C ASP A 65 3.294 -17.620 2.705 1.00 0.00 C ATOM 1015 O ASP A 65 3.981 -17.334 1.726 1.00 0.00 O ATOM 1016 CB ASP A 65 3.216 -20.120 2.773 1.00 0.00 C ATOM 1017 CG ASP A 65 2.359 -21.368 2.848 1.00 0.00 C ATOM 1018 OD1 ASP A 65 1.674 -21.677 1.851 1.00 0.00 O ATOM 1019 OD2 ASP A 65 2.374 -22.035 3.904 1.00 0.00 O ATOM 0 H ASP A 65 2.049 -19.121 0.637 1.00 0.00 H new ATOM 0 HA ASP A 65 1.721 -18.789 3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.868 -20.182 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.861 -20.072 3.651 1.00 0.00 H new ATOM 1024 N ASN A 66 3.294 -16.902 3.824 1.00 0.00 N ATOM 1025 CA ASN A 66 4.122 -15.710 3.967 1.00 0.00 C ATOM 1026 C ASN A 66 3.984 -14.803 2.748 1.00 0.00 C ATOM 1027 O ASN A 66 4.956 -14.192 2.302 1.00 0.00 O ATOM 1028 CB ASN A 66 5.588 -16.102 4.162 1.00 0.00 C ATOM 1029 CG ASN A 66 5.942 -17.391 3.447 1.00 0.00 C ATOM 1030 OD1 ASN A 66 5.526 -18.475 3.857 1.00 0.00 O ATOM 1031 ND2 ASN A 66 6.714 -17.279 2.373 1.00 0.00 N ATOM 0 H ASN A 66 2.730 -17.125 4.644 1.00 0.00 H new ATOM 0 HA ASN A 66 3.780 -15.163 4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.228 -15.299 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.793 -16.212 5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.986 -18.112 1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.035 -16.360 2.070 1.00 0.00 H new ATOM 1038 N LYS A 67 2.771 -14.720 2.213 1.00 0.00 N ATOM 1039 CA LYS A 67 2.504 -13.887 1.047 1.00 0.00 C ATOM 1040 C LYS A 67 1.131 -13.229 1.151 1.00 0.00 C ATOM 1041 O LYS A 67 0.291 -13.645 1.949 1.00 0.00 O ATOM 1042 CB LYS A 67 2.585 -14.723 -0.232 1.00 0.00 C ATOM 1043 CG LYS A 67 4.002 -15.111 -0.616 1.00 0.00 C ATOM 1044 CD LYS A 67 4.131 -15.343 -2.113 1.00 0.00 C ATOM 1045 CE LYS A 67 3.509 -16.668 -2.527 1.00 0.00 C ATOM 1046 NZ LYS A 67 3.008 -16.632 -3.928 1.00 0.00 N ATOM 0 H LYS A 67 1.956 -15.220 2.569 1.00 0.00 H new ATOM 0 HA LYS A 67 3.261 -13.104 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.992 -15.628 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.136 -14.162 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.691 -14.325 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.290 -16.016 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.647 -14.528 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.184 -15.330 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.248 -17.463 -2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.687 -16.909 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.592 -17.553 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.285 -15.890 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.797 -16.427 -4.574 1.00 0.00 H new ATOM 1060 N PHE A 68 0.910 -12.201 0.339 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.361 -11.486 0.339 1.00 0.00 C ATOM 1062 C PHE A 68 -0.652 -10.891 -1.036 1.00 0.00 C ATOM 1063 O PHE A 68 0.261 -10.662 -1.829 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.347 -10.378 1.394 1.00 0.00 C ATOM 1065 CG PHE A 68 0.808 -9.428 1.251 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.078 -9.793 1.668 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.624 -8.171 0.699 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.143 -8.922 1.537 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.685 -7.296 0.565 1.00 0.00 C ATOM 1070 CZ PHE A 68 2.946 -7.672 0.986 1.00 0.00 C ATOM 0 H PHE A 68 1.595 -11.844 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.150 -12.199 0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.279 -9.816 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.314 -10.831 2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.237 -10.770 2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.360 -7.871 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.128 -9.219 1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.529 -6.319 0.132 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.776 -6.989 0.884 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.929 -10.645 -1.310 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.339 -10.079 -2.589 1.00 0.00 C ATOM 1082 C GLU A 69 -2.715 -8.608 -2.437 1.00 0.00 C ATOM 1083 O GLU A 69 -3.648 -8.265 -1.711 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.522 -10.862 -3.163 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.611 -10.806 -4.679 1.00 0.00 C ATOM 1086 CD GLU A 69 -5.020 -11.037 -5.189 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.963 -10.457 -4.611 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -5.181 -11.797 -6.166 1.00 0.00 O ATOM 0 H GLU A 69 -2.697 -10.829 -0.664 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.496 -10.152 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.444 -11.903 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.446 -10.470 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.258 -9.834 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.946 -11.557 -5.106 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.981 -7.741 -3.128 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.237 -6.307 -3.071 1.00 0.00 C ATOM 1097 C VAL A 70 -3.043 -5.844 -4.279 1.00 0.00 C ATOM 1098 O VAL A 70 -2.485 -5.551 -5.337 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.924 -5.505 -3.007 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.199 -4.015 -3.147 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.184 -5.798 -1.710 1.00 0.00 C ATOM 0 H VAL A 70 -1.205 -8.007 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.811 -6.124 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.291 -5.813 -3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.259 -3.465 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.683 -3.823 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.852 -3.688 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.742 -5.223 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.811 -5.520 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.048 -6.862 -1.656 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.361 -5.779 -4.115 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.246 -5.350 -5.191 1.00 0.00 C ATOM 1113 C VAL A 71 -5.042 -3.874 -5.514 1.00 0.00 C ATOM 1114 O VAL A 71 -5.380 -2.999 -4.716 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.724 -5.586 -4.830 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.630 -5.126 -5.962 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.965 -7.053 -4.506 1.00 0.00 C ATOM 0 H VAL A 71 -4.839 -6.018 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.994 -5.949 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.962 -4.998 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.671 -5.301 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.476 -4.062 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.394 -5.685 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.015 -7.202 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.710 -7.664 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.343 -7.346 -3.660 1.00 0.00 H new ATOM 1127 N THR A 72 -4.488 -3.602 -6.692 1.00 0.00 N ATOM 1128 CA THR A 72 -4.239 -2.232 -7.121 1.00 0.00 C ATOM 1129 C THR A 72 -5.073 -1.880 -8.348 1.00 0.00 C ATOM 1130 O THR A 72 -5.618 -2.760 -9.015 1.00 0.00 O ATOM 1131 CB THR A 72 -2.750 -2.007 -7.446 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.316 -2.948 -8.434 1.00 0.00 O ATOM 1133 CG2 THR A 72 -1.897 -2.148 -6.195 1.00 0.00 C ATOM 0 H THR A 72 -4.203 -4.313 -7.366 1.00 0.00 H new ATOM 0 HA THR A 72 -4.525 -1.584 -6.292 1.00 0.00 H new ATOM 0 HB THR A 72 -2.634 -0.995 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.349 -3.083 -8.354 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.850 -1.985 -6.449 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.210 -1.411 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.019 -3.150 -5.783 1.00 0.00 H new ATOM 1141 N THR A 73 -5.170 -0.587 -8.641 1.00 0.00 N ATOM 1142 CA THR A 73 -5.938 -0.118 -9.787 1.00 0.00 C ATOM 1143 C THR A 73 -5.274 -0.525 -11.098 1.00 0.00 C ATOM 1144 O THR A 73 -5.939 -0.992 -12.021 1.00 0.00 O ATOM 1145 CB THR A 73 -6.105 1.413 -9.763 1.00 0.00 C ATOM 1146 OG1 THR A 73 -6.669 1.825 -8.513 1.00 0.00 O ATOM 1147 CG2 THR A 73 -6.997 1.878 -10.905 1.00 0.00 C ATOM 0 H THR A 73 -4.726 0.154 -8.100 1.00 0.00 H new ATOM 0 HA THR A 73 -6.921 -0.584 -9.721 1.00 0.00 H new ATOM 0 HB THR A 73 -5.121 1.866 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.770 2.800 -8.505 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.100 2.962 -10.868 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.551 1.589 -11.856 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.980 1.416 -10.810 1.00 0.00 H new ATOM 1155 N GLN A 74 -3.959 -0.344 -11.170 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.206 -0.693 -12.369 1.00 0.00 C ATOM 1157 C GLN A 74 -3.226 -2.200 -12.605 1.00 0.00 C ATOM 1158 O GLN A 74 -3.648 -2.666 -13.664 1.00 0.00 O ATOM 1159 CB GLN A 74 -1.762 -0.202 -12.251 1.00 0.00 C ATOM 1160 CG GLN A 74 -1.623 1.308 -12.346 1.00 0.00 C ATOM 1161 CD GLN A 74 -0.232 1.790 -11.985 1.00 0.00 C ATOM 1162 OE1 GLN A 74 0.720 1.010 -11.954 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -0.106 3.083 -11.710 1.00 0.00 N ATOM 0 H GLN A 74 -3.394 0.042 -10.413 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.680 -0.204 -13.220 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.350 -0.537 -11.299 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.165 -0.664 -13.037 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.862 1.628 -13.360 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.350 1.778 -11.683 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.922 3.694 -11.748 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.806 3.465 -11.461 1.00 0.00 H new ATOM 1172 N ARG A 75 -2.767 -2.955 -11.613 1.00 0.00 N ATOM 1173 CA ARG A 75 -2.730 -4.409 -11.714 1.00 0.00 C ATOM 1174 C ARG A 75 -2.278 -5.034 -10.397 1.00 0.00 C ATOM 1175 O ARG A 75 -1.186 -4.749 -9.904 1.00 0.00 O ATOM 1176 CB ARG A 75 -1.793 -4.840 -12.844 1.00 0.00 C ATOM 1177 CG ARG A 75 -0.383 -4.289 -12.709 1.00 0.00 C ATOM 1178 CD ARG A 75 0.296 -4.160 -14.064 1.00 0.00 C ATOM 1179 NE ARG A 75 -0.405 -3.226 -14.941 1.00 0.00 N ATOM 1180 CZ ARG A 75 0.084 -2.798 -16.099 1.00 0.00 C ATOM 1181 NH1 ARG A 75 1.270 -3.217 -16.517 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -0.614 -1.948 -16.842 1.00 0.00 N ATOM 0 H ARG A 75 -2.416 -2.584 -10.730 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.739 -4.758 -11.935 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.748 -5.929 -12.872 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.212 -4.514 -13.796 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.417 -3.314 -12.223 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.205 -4.944 -12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.323 -3.824 -13.924 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.343 -5.139 -14.541 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.320 -2.884 -14.648 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.810 -3.870 -15.949 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.643 -2.887 -17.407 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.527 -1.623 -16.524 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.237 -1.620 -17.731 1.00 0.00 H new ATOM 1196 N THR A 76 -3.126 -5.888 -9.832 1.00 0.00 N ATOM 1197 CA THR A 76 -2.815 -6.552 -8.572 1.00 0.00 C ATOM 1198 C THR A 76 -1.326 -6.863 -8.467 1.00 0.00 C ATOM 1199 O THR A 76 -0.690 -7.243 -9.450 1.00 0.00 O ATOM 1200 CB THR A 76 -3.613 -7.860 -8.415 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.008 -7.611 -8.619 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.397 -8.463 -7.035 1.00 0.00 C ATOM 0 H THR A 76 -4.033 -6.136 -10.227 1.00 0.00 H new ATOM 0 HA THR A 76 -3.097 -5.865 -7.774 1.00 0.00 H new ATOM 0 HB THR A 76 -3.258 -8.568 -9.164 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.508 -8.448 -8.519 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.970 -9.386 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.338 -8.679 -6.894 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.728 -7.757 -6.273 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.776 -6.699 -7.269 1.00 0.00 N ATOM 1211 CA PHE A 77 0.640 -6.962 -7.035 1.00 0.00 C ATOM 1212 C PHE A 77 0.825 -8.023 -5.955 1.00 0.00 C ATOM 1213 O PHE A 77 0.163 -7.991 -4.917 1.00 0.00 O ATOM 1214 CB PHE A 77 1.359 -5.674 -6.630 1.00 0.00 C ATOM 1215 CG PHE A 77 1.656 -4.764 -7.787 1.00 0.00 C ATOM 1216 CD1 PHE A 77 2.687 -5.053 -8.666 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.905 -3.618 -7.995 1.00 0.00 C ATOM 1218 CE1 PHE A 77 2.963 -4.217 -9.731 1.00 0.00 C ATOM 1219 CE2 PHE A 77 1.176 -2.778 -9.059 1.00 0.00 C ATOM 1220 CZ PHE A 77 2.206 -3.078 -9.928 1.00 0.00 C ATOM 0 H PHE A 77 -1.289 -6.385 -6.445 1.00 0.00 H new ATOM 0 HA PHE A 77 1.073 -7.335 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.747 -5.138 -5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.293 -5.931 -6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.282 -5.942 -8.517 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.098 -3.378 -7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.770 -4.454 -10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.583 -1.888 -9.210 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.420 -2.424 -10.760 1.00 0.00 H new ATOM 1230 N VAL A 78 1.729 -8.964 -6.206 1.00 0.00 N ATOM 1231 CA VAL A 78 2.002 -10.036 -5.256 1.00 0.00 C ATOM 1232 C VAL A 78 3.325 -9.805 -4.533 1.00 0.00 C ATOM 1233 O VAL A 78 4.362 -9.599 -5.164 1.00 0.00 O ATOM 1234 CB VAL A 78 2.044 -11.408 -5.954 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.413 -12.501 -4.962 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.709 -11.708 -6.619 1.00 0.00 C ATOM 0 H VAL A 78 2.285 -9.006 -7.060 1.00 0.00 H new ATOM 0 HA VAL A 78 1.188 -10.031 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 78 2.811 -11.379 -6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.438 -13.463 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.394 -12.291 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.671 -12.533 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.756 -12.681 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.079 -11.718 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.491 -10.940 -7.361 1.00 0.00 H new ATOM 1246 N PHE A 79 3.281 -9.841 -3.206 1.00 0.00 N ATOM 1247 CA PHE A 79 4.476 -9.635 -2.396 1.00 0.00 C ATOM 1248 C PHE A 79 4.671 -10.785 -1.411 1.00 0.00 C ATOM 1249 O PHE A 79 3.710 -11.442 -1.011 1.00 0.00 O ATOM 1250 CB PHE A 79 4.382 -8.310 -1.637 1.00 0.00 C ATOM 1251 CG PHE A 79 4.714 -7.112 -2.479 1.00 0.00 C ATOM 1252 CD1 PHE A 79 6.000 -6.920 -2.957 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.740 -6.177 -2.793 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.309 -5.818 -3.733 1.00 0.00 C ATOM 1255 CE2 PHE A 79 4.043 -5.074 -3.569 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.329 -4.894 -4.038 1.00 0.00 C ATOM 0 H PHE A 79 2.431 -10.011 -2.668 1.00 0.00 H new ATOM 0 HA PHE A 79 5.336 -9.603 -3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.372 -8.198 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.057 -8.342 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.770 -7.639 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.733 -6.312 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.315 -5.680 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.275 -4.354 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.568 -4.032 -4.643 1.00 0.00 H new ATOM 1266 N ARG A 80 5.921 -11.022 -1.027 1.00 0.00 N ATOM 1267 CA ARG A 80 6.242 -12.093 -0.091 1.00 0.00 C ATOM 1268 C ARG A 80 7.109 -11.573 1.052 1.00 0.00 C ATOM 1269 O ARG A 80 8.066 -10.830 0.832 1.00 0.00 O ATOM 1270 CB ARG A 80 6.963 -13.232 -0.815 1.00 0.00 C ATOM 1271 CG ARG A 80 7.525 -14.289 0.121 1.00 0.00 C ATOM 1272 CD ARG A 80 7.645 -15.638 -0.571 1.00 0.00 C ATOM 1273 NE ARG A 80 8.931 -15.796 -1.244 1.00 0.00 N ATOM 1274 CZ ARG A 80 9.424 -16.970 -1.620 1.00 0.00 C ATOM 1275 NH1 ARG A 80 8.742 -18.084 -1.392 1.00 0.00 N ATOM 1276 NH2 ARG A 80 10.602 -17.033 -2.228 1.00 0.00 N ATOM 0 H ARG A 80 6.728 -10.487 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 80 5.308 -12.470 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.270 -13.706 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.776 -12.816 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.505 -13.975 0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.880 -14.383 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.520 -16.434 0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.840 -15.745 -1.298 1.00 0.00 H new ATOM 0 HE ARG A 80 9.481 -14.959 -1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.836 -18.041 -0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.124 -18.984 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.130 -16.179 -2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.979 -17.936 -2.516 1.00 0.00 H new ATOM 1290 N VAL A 81 6.768 -11.970 2.274 1.00 0.00 N ATOM 1291 CA VAL A 81 7.515 -11.546 3.452 1.00 0.00 C ATOM 1292 C VAL A 81 8.498 -12.623 3.896 1.00 0.00 C ATOM 1293 O VAL A 81 8.535 -13.715 3.331 1.00 0.00 O ATOM 1294 CB VAL A 81 6.573 -11.211 4.623 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.977 -9.823 4.449 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.478 -12.260 4.742 1.00 0.00 C ATOM 0 H VAL A 81 5.979 -12.585 2.474 1.00 0.00 H new ATOM 0 HA VAL A 81 8.066 -10.649 3.171 1.00 0.00 H new ATOM 0 HB VAL A 81 7.152 -11.218 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.314 -9.604 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.778 -9.084 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.411 -9.784 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.821 -12.008 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.899 -12.288 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.928 -13.237 4.918 1.00 0.00 H new ATOM 1306 N GLU A 82 9.294 -12.307 4.914 1.00 0.00 N ATOM 1307 CA GLU A 82 10.278 -13.249 5.434 1.00 0.00 C ATOM 1308 C GLU A 82 9.765 -13.928 6.701 1.00 0.00 C ATOM 1309 O GLU A 82 10.090 -15.083 6.976 1.00 0.00 O ATOM 1310 CB GLU A 82 11.598 -12.533 5.725 1.00 0.00 C ATOM 1311 CG GLU A 82 12.752 -13.477 6.017 1.00 0.00 C ATOM 1312 CD GLU A 82 14.106 -12.826 5.812 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.334 -12.261 4.722 1.00 0.00 O ATOM 1314 OE2 GLU A 82 14.937 -12.880 6.742 1.00 0.00 O ATOM 0 H GLU A 82 9.276 -11.407 5.394 1.00 0.00 H new ATOM 0 HA GLU A 82 10.447 -14.014 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.858 -11.908 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.460 -11.867 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.675 -13.831 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.673 -14.352 5.372 1.00 0.00 H new ATOM 1321 N LYS A 83 8.961 -13.201 7.470 1.00 0.00 N ATOM 1322 CA LYS A 83 8.401 -13.731 8.708 1.00 0.00 C ATOM 1323 C LYS A 83 6.899 -13.478 8.777 1.00 0.00 C ATOM 1324 O LYS A 83 6.411 -12.452 8.304 1.00 0.00 O ATOM 1325 CB LYS A 83 9.093 -13.097 9.917 1.00 0.00 C ATOM 1326 CG LYS A 83 10.592 -13.336 9.954 1.00 0.00 C ATOM 1327 CD LYS A 83 10.917 -14.794 10.234 1.00 0.00 C ATOM 1328 CE LYS A 83 12.419 -15.024 10.317 1.00 0.00 C ATOM 1329 NZ LYS A 83 12.757 -16.162 11.215 1.00 0.00 N ATOM 0 H LYS A 83 8.683 -12.243 7.258 1.00 0.00 H new ATOM 0 HA LYS A 83 8.571 -14.808 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.905 -12.023 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.648 -13.494 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.032 -13.040 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.043 -12.708 10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.449 -15.099 11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.495 -15.420 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.812 -15.220 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.906 -14.118 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.789 -16.286 11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.404 -15.965 12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.314 -17.031 10.855 1.00 0.00 H new ATOM 1343 N GLU A 84 6.171 -14.419 9.372 1.00 0.00 N ATOM 1344 CA GLU A 84 4.724 -14.295 9.503 1.00 0.00 C ATOM 1345 C GLU A 84 4.345 -12.939 10.091 1.00 0.00 C ATOM 1346 O GLU A 84 3.594 -12.177 9.485 1.00 0.00 O ATOM 1347 CB GLU A 84 4.172 -15.418 10.384 1.00 0.00 C ATOM 1348 CG GLU A 84 2.706 -15.726 10.130 1.00 0.00 C ATOM 1349 CD GLU A 84 2.501 -16.645 8.941 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.743 -16.200 7.799 1.00 0.00 O ATOM 1351 OE2 GLU A 84 2.098 -17.808 9.152 1.00 0.00 O ATOM 0 H GLU A 84 6.559 -15.274 9.770 1.00 0.00 H new ATOM 0 HA GLU A 84 4.286 -14.375 8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.759 -16.321 10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.301 -15.144 11.431 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.276 -16.187 11.019 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.167 -14.794 9.961 1.00 0.00 H new ATOM 1358 N GLU A 85 4.870 -12.647 11.277 1.00 0.00 N ATOM 1359 CA GLU A 85 4.585 -11.384 11.948 1.00 0.00 C ATOM 1360 C GLU A 85 4.511 -10.239 10.943 1.00 0.00 C ATOM 1361 O GLU A 85 3.552 -9.467 10.936 1.00 0.00 O ATOM 1362 CB GLU A 85 5.657 -11.087 12.999 1.00 0.00 C ATOM 1363 CG GLU A 85 7.072 -11.093 12.444 1.00 0.00 C ATOM 1364 CD GLU A 85 8.115 -11.365 13.510 1.00 0.00 C ATOM 1365 OE1 GLU A 85 8.383 -12.552 13.789 1.00 0.00 O ATOM 1366 OE2 GLU A 85 8.663 -10.390 14.066 1.00 0.00 O ATOM 0 H GLU A 85 5.494 -13.267 11.792 1.00 0.00 H new ATOM 0 HA GLU A 85 3.617 -11.474 12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.455 -10.114 13.446 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.586 -11.826 13.797 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.149 -11.850 11.664 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.279 -10.131 11.976 1.00 0.00 H new ATOM 1373 N GLU A 86 5.530 -10.136 10.095 1.00 0.00 N ATOM 1374 CA GLU A 86 5.580 -9.084 9.087 1.00 0.00 C ATOM 1375 C GLU A 86 4.307 -9.076 8.245 1.00 0.00 C ATOM 1376 O GLU A 86 3.681 -8.032 8.058 1.00 0.00 O ATOM 1377 CB GLU A 86 6.801 -9.271 8.183 1.00 0.00 C ATOM 1378 CG GLU A 86 8.111 -8.871 8.839 1.00 0.00 C ATOM 1379 CD GLU A 86 9.273 -8.862 7.865 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.430 -9.852 7.120 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.025 -7.865 7.847 1.00 0.00 O ATOM 0 H GLU A 86 6.331 -10.768 10.086 1.00 0.00 H new ATOM 0 HA GLU A 86 5.661 -8.127 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.861 -10.316 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.664 -8.683 7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.004 -7.880 9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.330 -9.561 9.654 1.00 0.00 H new ATOM 1388 N ARG A 87 3.931 -10.246 7.741 1.00 0.00 N ATOM 1389 CA ARG A 87 2.734 -10.374 6.918 1.00 0.00 C ATOM 1390 C ARG A 87 1.616 -9.477 7.441 1.00 0.00 C ATOM 1391 O ARG A 87 1.059 -8.667 6.701 1.00 0.00 O ATOM 1392 CB ARG A 87 2.263 -11.829 6.888 1.00 0.00 C ATOM 1393 CG ARG A 87 1.239 -12.115 5.802 1.00 0.00 C ATOM 1394 CD ARG A 87 0.291 -13.232 6.210 1.00 0.00 C ATOM 1395 NE ARG A 87 0.951 -14.535 6.216 1.00 0.00 N ATOM 1396 CZ ARG A 87 0.302 -15.688 6.102 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -1.018 -15.700 5.974 1.00 0.00 N ATOM 1398 NH2 ARG A 87 0.972 -16.833 6.116 1.00 0.00 N ATOM 0 H ARG A 87 4.437 -11.119 7.888 1.00 0.00 H new ATOM 0 HA ARG A 87 2.985 -10.059 5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.126 -12.479 6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.833 -12.083 7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.668 -11.211 5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.752 -12.390 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.109 -13.024 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.556 -13.258 5.524 1.00 0.00 H new ATOM 0 HE ARG A 87 1.966 -14.561 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.537 -14.822 5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.514 -16.587 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.987 -16.829 6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.472 -17.718 6.028 1.00 0.00 H new ATOM 1412 N ASN A 88 1.294 -9.627 8.722 1.00 0.00 N ATOM 1413 CA ASN A 88 0.242 -8.832 9.344 1.00 0.00 C ATOM 1414 C ASN A 88 0.643 -7.362 9.418 1.00 0.00 C ATOM 1415 O ASN A 88 -0.170 -6.472 9.169 1.00 0.00 O ATOM 1416 CB ASN A 88 -0.063 -9.360 10.747 1.00 0.00 C ATOM 1417 CG ASN A 88 -0.608 -10.775 10.726 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -1.658 -11.040 10.141 1.00 0.00 O ATOM 1419 ND2 ASN A 88 0.107 -11.693 11.367 1.00 0.00 N ATOM 0 H ASN A 88 1.747 -10.292 9.349 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.654 -8.916 8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.846 -9.332 11.348 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.785 -8.702 11.231 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.209 -12.663 11.388 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.972 -11.428 11.839 1.00 0.00 H new ATOM 1426 N ASP A 89 1.903 -7.115 9.761 1.00 0.00 N ATOM 1427 CA ASP A 89 2.413 -5.753 9.867 1.00 0.00 C ATOM 1428 C ASP A 89 2.115 -4.961 8.597 1.00 0.00 C ATOM 1429 O ASP A 89 1.367 -3.984 8.625 1.00 0.00 O ATOM 1430 CB ASP A 89 3.920 -5.769 10.130 1.00 0.00 C ATOM 1431 CG ASP A 89 4.253 -6.130 11.564 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.704 -5.483 12.481 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.063 -7.058 11.771 1.00 0.00 O ATOM 0 H ASP A 89 2.589 -7.840 9.970 1.00 0.00 H new ATOM 0 HA ASP A 89 1.911 -5.267 10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.396 -6.484 9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.337 -4.789 9.899 1.00 0.00 H new ATOM 1438 N TRP A 90 2.706 -5.388 7.487 1.00 0.00 N ATOM 1439 CA TRP A 90 2.504 -4.718 6.208 1.00 0.00 C ATOM 1440 C TRP A 90 1.026 -4.423 5.975 1.00 0.00 C ATOM 1441 O TRP A 90 0.623 -3.264 5.877 1.00 0.00 O ATOM 1442 CB TRP A 90 3.051 -5.577 5.067 1.00 0.00 C ATOM 1443 CG TRP A 90 4.539 -5.481 4.911 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.467 -6.391 5.328 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.268 -4.413 4.296 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.730 -5.954 5.010 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.635 -4.743 4.376 1.00 0.00 C ATOM 1448 CE3 TRP A 90 4.900 -3.212 3.685 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.632 -3.914 3.868 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 5.890 -2.390 3.182 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.243 -2.744 3.275 1.00 0.00 C ATOM 0 H TRP A 90 3.329 -6.195 7.447 1.00 0.00 H new ATOM 0 HA TRP A 90 3.045 -3.772 6.233 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.778 -6.618 5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.575 -5.275 4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.241 -7.318 5.834 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.598 -6.450 5.213 1.00 0.00 H new ATOM 0 HE3 TRP A 90 3.860 -2.931 3.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.675 -4.185 3.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.617 -1.458 2.709 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.993 -2.080 2.871 1.00 0.00 H new ATOM 1462 N ILE A 91 0.223 -5.478 5.888 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.210 -5.331 5.668 1.00 0.00 C ATOM 1464 C ILE A 91 -1.808 -4.294 6.613 1.00 0.00 C ATOM 1465 O ILE A 91 -2.579 -3.430 6.197 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.949 -6.668 5.857 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.457 -7.697 4.837 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.452 -6.466 5.729 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -2.001 -9.089 5.071 1.00 0.00 C ATOM 0 H ILE A 91 0.541 -6.444 5.967 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.338 -4.997 4.638 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.736 -7.045 6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.740 -7.369 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.368 -7.732 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.960 -7.421 5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.791 -5.763 6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.683 -6.070 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.610 -9.765 4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.696 -9.438 6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.089 -9.069 5.014 1.00 0.00 H new ATOM 1481 N SER A 92 -1.445 -4.386 7.889 1.00 0.00 N ATOM 1482 CA SER A 92 -1.946 -3.458 8.895 1.00 0.00 C ATOM 1483 C SER A 92 -1.591 -2.019 8.532 1.00 0.00 C ATOM 1484 O SER A 92 -2.444 -1.132 8.558 1.00 0.00 O ATOM 1485 CB SER A 92 -1.374 -3.805 10.271 1.00 0.00 C ATOM 1486 OG SER A 92 -1.987 -3.032 11.288 1.00 0.00 O ATOM 0 H SER A 92 -0.806 -5.094 8.250 1.00 0.00 H new ATOM 0 HA SER A 92 -3.032 -3.549 8.928 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.526 -4.865 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.298 -3.630 10.276 1.00 0.00 H new ATOM 0 HG SER A 92 -1.605 -3.274 12.158 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.325 -1.797 8.194 1.00 0.00 N ATOM 1493 CA ILE A 93 0.144 -0.467 7.825 1.00 0.00 C ATOM 1494 C ILE A 93 -0.685 0.111 6.683 1.00 0.00 C ATOM 1495 O ILE A 93 -1.079 1.278 6.716 1.00 0.00 O ATOM 1496 CB ILE A 93 1.627 -0.488 7.408 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.511 -0.841 8.606 1.00 0.00 C ATOM 1498 CG2 ILE A 93 2.032 0.856 6.822 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.927 -1.211 8.224 1.00 0.00 C ATOM 0 H ILE A 93 0.394 -2.520 8.168 1.00 0.00 H new ATOM 0 HA ILE A 93 0.032 0.163 8.708 1.00 0.00 H new ATOM 0 HB ILE A 93 1.763 -1.252 6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.538 0.007 9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.060 -1.673 9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.082 0.825 6.532 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.420 1.070 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.884 1.637 7.567 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.496 -1.449 9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.911 -2.079 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.396 -0.372 7.709 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.948 -0.713 5.675 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.733 -0.284 4.522 1.00 0.00 C ATOM 1513 C LEU A 94 -3.149 0.100 4.940 1.00 0.00 C ATOM 1514 O LEU A 94 -3.626 1.191 4.625 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.783 -1.396 3.473 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.437 -2.000 3.070 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.643 -3.236 2.208 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.411 -0.972 2.337 1.00 0.00 C ATOM 0 H LEU A 94 -0.630 -1.681 5.632 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.251 0.593 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.419 -2.196 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.264 -1.002 2.578 1.00 0.00 H new ATOM 0 HG LEU A 94 0.091 -2.298 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.326 -3.652 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.211 -3.979 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.192 -2.964 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.365 -1.420 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.112 -0.643 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.588 -0.116 2.988 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.816 -0.802 5.651 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.177 -0.557 6.114 1.00 0.00 C ATOM 1532 C LEU A 95 -5.257 0.744 6.906 1.00 0.00 C ATOM 1533 O LEU A 95 -6.114 1.588 6.647 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.660 -1.723 6.978 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.804 -3.070 6.269 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.156 -4.163 7.265 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.856 -2.986 5.172 1.00 0.00 C ATOM 0 H LEU A 95 -3.436 -1.710 5.919 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.822 -0.469 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.965 -1.845 7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.626 -1.456 7.406 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.848 -3.321 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.254 -5.114 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.368 -4.241 8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.099 -3.919 7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.945 -3.954 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.816 -2.712 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.561 -2.232 4.442 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.356 0.901 7.870 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.323 2.100 8.699 1.00 0.00 C ATOM 1551 C ASN A 96 -4.292 3.357 7.835 1.00 0.00 C ATOM 1552 O ASN A 96 -4.912 4.367 8.167 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.105 2.074 9.624 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.231 3.052 10.775 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.323 3.273 11.300 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -2.112 3.646 11.173 1.00 0.00 N ATOM 0 H ASN A 96 -3.638 0.212 8.096 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.229 2.118 9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.974 1.067 10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.210 2.309 9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.136 4.315 11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.229 3.433 10.709 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.566 3.287 6.724 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.456 4.418 5.810 1.00 0.00 C ATOM 1565 C ALA A 97 -4.746 4.614 5.021 1.00 0.00 C ATOM 1566 O ALA A 97 -5.319 5.704 5.008 1.00 0.00 O ATOM 1567 CB ALA A 97 -2.281 4.220 4.864 1.00 0.00 C ATOM 0 H ALA A 97 -3.045 2.459 6.435 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.284 5.317 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.211 5.072 4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.360 4.138 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.429 3.308 4.285 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.199 3.552 4.363 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.422 3.607 3.570 1.00 0.00 C ATOM 1575 C LEU A 98 -7.583 4.151 4.397 1.00 0.00 C ATOM 1576 O LEU A 98 -8.534 4.715 3.855 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.769 2.216 3.036 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.717 1.558 2.143 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -5.795 0.043 2.254 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.894 1.998 0.697 1.00 0.00 C ATOM 0 H LEU A 98 -4.737 2.642 4.363 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.252 4.280 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.958 1.559 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.701 2.286 2.474 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.731 1.877 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.039 -0.408 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.618 -0.256 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.784 -0.294 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.137 1.520 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.885 1.709 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.787 3.081 0.630 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.497 3.981 5.712 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.537 4.458 6.615 1.00 0.00 C ATOM 1594 C LYS A 99 -8.498 5.978 6.735 1.00 0.00 C ATOM 1595 O LYS A 99 -9.526 6.619 6.956 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.373 3.822 7.997 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.679 2.335 8.022 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.111 1.669 9.264 1.00 0.00 C ATOM 1599 CE LYS A 99 -9.103 1.699 10.416 1.00 0.00 C ATOM 1600 NZ LYS A 99 -10.026 0.530 10.384 1.00 0.00 N ATOM 0 H LYS A 99 -6.717 3.516 6.176 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.503 4.168 6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.351 3.980 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.029 4.331 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.758 2.184 7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.263 1.862 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.848 0.636 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.192 2.174 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.561 1.708 11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.683 2.621 10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.686 0.587 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.562 0.535 9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.475 -0.349 10.452 1.00 0.00 H new ATOM 1614 N SER A 100 -7.307 6.549 6.587 1.00 0.00 N ATOM 1615 CA SER A 100 -7.134 7.994 6.682 1.00 0.00 C ATOM 1616 C SER A 100 -7.484 8.670 5.360 1.00 0.00 C ATOM 1617 O SER A 100 -8.174 9.689 5.337 1.00 0.00 O ATOM 1618 CB SER A 100 -5.695 8.332 7.075 1.00 0.00 C ATOM 1619 OG SER A 100 -5.515 9.732 7.195 1.00 0.00 O ATOM 0 H SER A 100 -6.447 6.033 6.401 1.00 0.00 H new ATOM 0 HA SER A 100 -7.810 8.367 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.450 7.848 8.020 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.008 7.937 6.327 1.00 0.00 H new ATOM 0 HG SER A 100 -4.588 9.922 7.448 1.00 0.00 H new