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 Set 1.1: A 96 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Set 1.2: A 99 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.00458) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 163:sc= -0.0442 (180deg=-0.308) USER MOD Single : A 11 SER OG : rot -138:sc= 0.57 USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.626) USER MOD Single : A 26 GLN : amide:sc= -0.526 K(o=-0.53,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -150:sc= -1.47! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 55 SER OG : rot 180:sc= -0.246 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.205 K(o=-0.2,f=-1.6) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.116 (180deg=-1.21) USER MOD Single : A 72 THR OG1 : rot -24:sc= -0.713 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 83 LYS NZ :NH3+ 156:sc= -0.0825 (180deg=-0.554) USER MOD Single : A 88 ASN : amide:sc= -0.0797 X(o=-0.08,f=-0.0097) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 3.800 3.474 11.448 1.00 0.00 N ATOM 67 CA LYS A 8 3.078 3.832 10.233 1.00 0.00 C ATOM 68 C LYS A 8 3.968 3.674 9.005 1.00 0.00 C ATOM 69 O LYS A 8 3.615 4.110 7.909 1.00 0.00 O ATOM 70 CB LYS A 8 2.567 5.271 10.324 1.00 0.00 C ATOM 71 CG LYS A 8 1.308 5.522 9.512 1.00 0.00 C ATOM 72 CD LYS A 8 0.866 6.973 9.602 1.00 0.00 C ATOM 73 CE LYS A 8 1.797 7.889 8.821 1.00 0.00 C ATOM 74 NZ LYS A 8 1.329 9.302 8.840 1.00 0.00 N ATOM 0 HA LYS A 8 2.228 3.157 10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.370 5.512 11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.350 5.948 9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.488 5.260 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.508 4.874 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.149 7.070 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.841 7.283 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.800 7.833 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.866 7.543 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.990 9.894 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.382 9.360 8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.288 9.641 9.822 1.00 0.00 H new ATOM 88 N VAL A 9 5.125 3.047 9.194 1.00 0.00 N ATOM 89 CA VAL A 9 6.065 2.829 8.101 1.00 0.00 C ATOM 90 C VAL A 9 6.676 1.434 8.172 1.00 0.00 C ATOM 91 O VAL A 9 6.549 0.738 9.180 1.00 0.00 O ATOM 92 CB VAL A 9 7.195 3.875 8.116 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.653 5.252 7.767 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.886 3.892 9.472 1.00 0.00 C ATOM 0 H VAL A 9 5.434 2.681 10.095 1.00 0.00 H new ATOM 0 HA VAL A 9 5.501 2.928 7.173 1.00 0.00 H new ATOM 0 HB VAL A 9 7.932 3.600 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.466 5.978 7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.208 5.227 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.895 5.540 8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.682 4.637 9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.161 4.142 10.247 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.310 2.909 9.676 1.00 0.00 H new ATOM 104 N LYS A 10 7.342 1.031 7.095 1.00 0.00 N ATOM 105 CA LYS A 10 7.976 -0.281 7.034 1.00 0.00 C ATOM 106 C LYS A 10 8.864 -0.399 5.800 1.00 0.00 C ATOM 107 O LYS A 10 8.507 0.070 4.719 1.00 0.00 O ATOM 108 CB LYS A 10 6.915 -1.383 7.019 1.00 0.00 C ATOM 109 CG LYS A 10 7.472 -2.767 7.303 1.00 0.00 C ATOM 110 CD LYS A 10 6.404 -3.695 7.859 1.00 0.00 C ATOM 111 CE LYS A 10 7.005 -4.996 8.366 1.00 0.00 C ATOM 112 NZ LYS A 10 7.867 -4.781 9.562 1.00 0.00 N ATOM 0 H LYS A 10 7.457 1.594 6.252 1.00 0.00 H new ATOM 0 HA LYS A 10 8.599 -0.397 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.150 -1.149 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.425 -1.391 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.882 -3.190 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.295 -2.690 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.875 -3.197 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.668 -3.911 7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.205 -5.692 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.593 -5.458 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.022 -5.688 10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.782 -4.387 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.399 -4.118 10.212 1.00 0.00 H new ATOM 126 N SER A 11 10.023 -1.028 5.967 1.00 0.00 N ATOM 127 CA SER A 11 10.963 -1.206 4.867 1.00 0.00 C ATOM 128 C SER A 11 11.679 -2.548 4.975 1.00 0.00 C ATOM 129 O SER A 11 11.824 -3.101 6.065 1.00 0.00 O ATOM 130 CB SER A 11 11.986 -0.068 4.854 1.00 0.00 C ATOM 131 OG SER A 11 12.555 0.091 3.566 1.00 0.00 O ATOM 0 H SER A 11 10.334 -1.423 6.855 1.00 0.00 H new ATOM 0 HA SER A 11 10.400 -1.190 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.505 0.861 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.773 -0.274 5.580 1.00 0.00 H new ATOM 0 HG SER A 11 13.520 0.241 3.651 1.00 0.00 H new ATOM 137 N GLY A 12 12.126 -3.067 3.836 1.00 0.00 N ATOM 138 CA GLY A 12 12.822 -4.341 3.823 1.00 0.00 C ATOM 139 C GLY A 12 12.796 -5.003 2.460 1.00 0.00 C ATOM 140 O GLY A 12 11.862 -4.801 1.683 1.00 0.00 O ATOM 0 H GLY A 12 12.019 -2.628 2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.857 -4.189 4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.367 -5.007 4.556 1.00 0.00 H new ATOM 144 N TRP A 13 13.823 -5.792 2.167 1.00 0.00 N ATOM 145 CA TRP A 13 13.914 -6.485 0.887 1.00 0.00 C ATOM 146 C TRP A 13 12.734 -7.430 0.694 1.00 0.00 C ATOM 147 O TRP A 13 12.693 -8.515 1.276 1.00 0.00 O ATOM 148 CB TRP A 13 15.227 -7.264 0.797 1.00 0.00 C ATOM 149 CG TRP A 13 16.426 -6.386 0.599 1.00 0.00 C ATOM 150 CD1 TRP A 13 17.254 -5.897 1.568 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.929 -5.893 -0.648 1.00 0.00 C ATOM 152 NE1 TRP A 13 18.242 -5.129 1.000 1.00 0.00 N ATOM 153 CE2 TRP A 13 18.065 -5.112 -0.358 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.533 -6.037 -1.980 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.805 -4.477 -1.352 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.268 -5.406 -2.965 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.394 -4.635 -2.648 1.00 0.00 C ATOM 0 H TRP A 13 14.605 -5.968 2.798 1.00 0.00 H new ATOM 0 HA TRP A 13 13.889 -5.736 0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 13 15.359 -7.847 1.709 1.00 0.00 H new ATOM 0 HB3 TRP A 13 15.165 -7.973 -0.028 1.00 0.00 H new ATOM 0 HD1 TRP A 13 17.148 -6.086 2.626 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.986 -4.650 1.507 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.668 -6.631 -2.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.672 -3.881 -1.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.969 -5.509 -3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.948 -4.156 -3.442 1.00 0.00 H new ATOM 168 N LEU A 14 11.775 -7.013 -0.126 1.00 0.00 N ATOM 169 CA LEU A 14 10.593 -7.824 -0.396 1.00 0.00 C ATOM 170 C LEU A 14 10.691 -8.491 -1.764 1.00 0.00 C ATOM 171 O LEU A 14 11.200 -7.902 -2.718 1.00 0.00 O ATOM 172 CB LEU A 14 9.332 -6.961 -0.326 1.00 0.00 C ATOM 173 CG LEU A 14 8.787 -6.682 1.075 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.402 -6.058 0.995 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.751 -7.961 1.898 1.00 0.00 C ATOM 0 H LEU A 14 11.793 -6.118 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 14 10.536 -8.603 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.542 -6.007 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.550 -7.448 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 14 9.453 -5.975 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.030 -5.867 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.457 -5.119 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.725 -6.741 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.360 -7.743 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.108 -8.691 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.759 -8.366 1.985 1.00 0.00 H new ATOM 187 N ASP A 15 10.199 -9.722 -1.853 1.00 0.00 N ATOM 188 CA ASP A 15 10.228 -10.468 -3.106 1.00 0.00 C ATOM 189 C ASP A 15 9.007 -10.142 -3.961 1.00 0.00 C ATOM 190 O ASP A 15 7.921 -10.677 -3.742 1.00 0.00 O ATOM 191 CB ASP A 15 10.284 -11.971 -2.827 1.00 0.00 C ATOM 192 CG ASP A 15 11.678 -12.441 -2.463 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.653 -11.773 -2.867 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.795 -13.476 -1.775 1.00 0.00 O ATOM 0 H ASP A 15 9.775 -10.224 -1.073 1.00 0.00 H new ATOM 0 HA ASP A 15 11.122 -10.174 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.599 -12.212 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.939 -12.514 -3.707 1.00 0.00 H new ATOM 199 N LYS A 16 9.194 -9.259 -4.937 1.00 0.00 N ATOM 200 CA LYS A 16 8.109 -8.861 -5.826 1.00 0.00 C ATOM 201 C LYS A 16 8.164 -9.642 -7.135 1.00 0.00 C ATOM 202 O LYS A 16 9.242 -10.002 -7.611 1.00 0.00 O ATOM 203 CB LYS A 16 8.184 -7.359 -6.113 1.00 0.00 C ATOM 204 CG LYS A 16 7.234 -6.902 -7.207 1.00 0.00 C ATOM 205 CD LYS A 16 5.815 -6.752 -6.687 1.00 0.00 C ATOM 206 CE LYS A 16 4.863 -6.303 -7.785 1.00 0.00 C ATOM 207 NZ LYS A 16 4.542 -7.410 -8.728 1.00 0.00 N ATOM 0 H LYS A 16 10.087 -8.806 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 16 7.165 -9.084 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.962 -6.811 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.204 -7.102 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.576 -5.950 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.248 -7.621 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.475 -7.702 -6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.800 -6.028 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.942 -5.929 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.309 -5.475 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.887 -7.167 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.003 -8.285 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.512 -7.552 -8.759 1.00 0.00 H new ATOM 221 N LEU A 17 6.996 -9.901 -7.713 1.00 0.00 N ATOM 222 CA LEU A 17 6.911 -10.639 -8.968 1.00 0.00 C ATOM 223 C LEU A 17 6.516 -9.717 -10.117 1.00 0.00 C ATOM 224 O LEU A 17 5.385 -9.761 -10.601 1.00 0.00 O ATOM 225 CB LEU A 17 5.899 -11.780 -8.844 1.00 0.00 C ATOM 226 CG LEU A 17 5.859 -12.771 -10.008 1.00 0.00 C ATOM 227 CD1 LEU A 17 7.118 -13.625 -10.025 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.619 -13.648 -9.919 1.00 0.00 C ATOM 0 H LEU A 17 6.095 -9.611 -7.333 1.00 0.00 H new ATOM 0 HA LEU A 17 7.895 -11.056 -9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.115 -12.333 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.906 -11.347 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 17 5.814 -12.207 -10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.072 -14.324 -10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.992 -12.983 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.194 -14.180 -9.090 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.607 -14.347 -10.755 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.633 -14.204 -8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.727 -13.022 -9.956 1.00 0.00 H new ATOM 372 N GLN A 26 12.055 -11.828 -7.505 1.00 0.00 N ATOM 373 CA GLN A 26 13.250 -10.993 -7.537 1.00 0.00 C ATOM 374 C GLN A 26 13.394 -10.199 -6.243 1.00 0.00 C ATOM 375 O GLN A 26 12.425 -9.631 -5.739 1.00 0.00 O ATOM 376 CB GLN A 26 13.199 -10.039 -8.731 1.00 0.00 C ATOM 377 CG GLN A 26 13.792 -10.624 -10.003 1.00 0.00 C ATOM 378 CD GLN A 26 12.964 -11.764 -10.562 1.00 0.00 C ATOM 379 OE1 GLN A 26 11.789 -11.917 -10.225 1.00 0.00 O ATOM 380 NE2 GLN A 26 13.573 -12.572 -11.422 1.00 0.00 N ATOM 0 HA GLN A 26 14.116 -11.646 -7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.162 -9.760 -8.918 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.735 -9.124 -8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.877 -9.839 -10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.802 -10.980 -9.798 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.548 -12.408 -11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.066 -13.357 -11.832 1.00 0.00 H new ATOM 389 N LYS A 27 14.610 -10.164 -5.708 1.00 0.00 N ATOM 390 CA LYS A 27 14.883 -9.440 -4.473 1.00 0.00 C ATOM 391 C LYS A 27 14.899 -7.934 -4.718 1.00 0.00 C ATOM 392 O LYS A 27 15.803 -7.412 -5.370 1.00 0.00 O ATOM 393 CB LYS A 27 16.222 -9.886 -3.881 1.00 0.00 C ATOM 394 CG LYS A 27 16.319 -9.688 -2.378 1.00 0.00 C ATOM 395 CD LYS A 27 17.631 -10.222 -1.829 1.00 0.00 C ATOM 396 CE LYS A 27 17.583 -11.731 -1.642 1.00 0.00 C ATOM 397 NZ LYS A 27 16.920 -12.111 -0.363 1.00 0.00 N ATOM 0 H LYS A 27 15.423 -10.630 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 27 14.087 -9.667 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.378 -10.940 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.026 -9.332 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.230 -8.627 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.486 -10.193 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.443 -9.964 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.850 -9.743 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.048 -12.184 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.597 -12.131 -1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.907 -13.147 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.445 -11.700 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.944 -11.751 -0.357 1.00 0.00 H new ATOM 411 N ARG A 28 13.895 -7.242 -4.189 1.00 0.00 N ATOM 412 CA ARG A 28 13.795 -5.797 -4.350 1.00 0.00 C ATOM 413 C ARG A 28 13.599 -5.112 -3.001 1.00 0.00 C ATOM 414 O ARG A 28 12.940 -5.649 -2.111 1.00 0.00 O ATOM 415 CB ARG A 28 12.637 -5.446 -5.285 1.00 0.00 C ATOM 416 CG ARG A 28 12.579 -6.310 -6.534 1.00 0.00 C ATOM 417 CD ARG A 28 13.386 -5.701 -7.670 1.00 0.00 C ATOM 418 NE ARG A 28 12.581 -4.801 -8.492 1.00 0.00 N ATOM 419 CZ ARG A 28 13.050 -4.164 -9.559 1.00 0.00 C ATOM 420 NH1 ARG A 28 14.312 -4.328 -9.932 1.00 0.00 N ATOM 421 NH2 ARG A 28 12.256 -3.361 -10.256 1.00 0.00 N ATOM 0 H ARG A 28 13.139 -7.659 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 28 14.727 -5.440 -4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.698 -5.546 -4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.724 -4.400 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.961 -7.305 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.542 -6.430 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.235 -5.155 -7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.791 -6.497 -8.294 1.00 0.00 H new ATOM 0 HE ARG A 28 11.606 -4.654 -8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.925 -4.945 -9.399 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.669 -3.838 -10.752 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.285 -3.233 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.617 -2.872 -11.075 1.00 0.00 H new ATOM 435 N TRP A 29 14.177 -3.925 -2.857 1.00 0.00 N ATOM 436 CA TRP A 29 14.067 -3.167 -1.615 1.00 0.00 C ATOM 437 C TRP A 29 12.825 -2.282 -1.627 1.00 0.00 C ATOM 438 O TRP A 29 12.702 -1.378 -2.453 1.00 0.00 O ATOM 439 CB TRP A 29 15.316 -2.310 -1.404 1.00 0.00 C ATOM 440 CG TRP A 29 15.159 -1.288 -0.319 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.704 -0.009 -0.458 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.460 -1.460 1.070 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.703 0.625 0.761 1.00 0.00 N ATOM 444 CE2 TRP A 29 15.162 -0.244 1.715 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.950 -2.524 1.833 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.339 -0.064 3.084 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.126 -2.344 3.191 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.821 -1.122 3.806 1.00 0.00 C ATOM 0 H TRP A 29 14.726 -3.466 -3.584 1.00 0.00 H new ATOM 0 HA TRP A 29 13.978 -3.876 -0.792 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.157 -2.960 -1.162 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.562 -1.804 -2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.391 0.439 -1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.408 1.587 0.928 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.187 -3.470 1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.104 0.877 3.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 16.505 -3.159 3.789 1.00 0.00 H new ATOM 0 HH2 TRP A 29 15.969 -1.013 4.870 1.00 0.00 H new ATOM 459 N VAL A 30 11.906 -2.548 -0.704 1.00 0.00 N ATOM 460 CA VAL A 30 10.674 -1.775 -0.607 1.00 0.00 C ATOM 461 C VAL A 30 10.639 -0.954 0.677 1.00 0.00 C ATOM 462 O VAL A 30 11.087 -1.409 1.730 1.00 0.00 O ATOM 463 CB VAL A 30 9.434 -2.687 -0.654 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.163 -1.856 -0.753 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.534 -3.662 -1.818 1.00 0.00 C ATOM 0 H VAL A 30 11.992 -3.293 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 30 10.654 -1.103 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 30 9.393 -3.263 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.297 -2.518 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.088 -1.202 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.192 -1.253 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.650 -4.299 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.600 -3.106 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.424 -4.280 -1.699 1.00 0.00 H new ATOM 475 N LYS A 31 10.104 0.258 0.584 1.00 0.00 N ATOM 476 CA LYS A 31 10.008 1.144 1.739 1.00 0.00 C ATOM 477 C LYS A 31 8.715 1.951 1.699 1.00 0.00 C ATOM 478 O LYS A 31 8.378 2.553 0.679 1.00 0.00 O ATOM 479 CB LYS A 31 11.211 2.089 1.783 1.00 0.00 C ATOM 480 CG LYS A 31 11.228 2.994 3.003 1.00 0.00 C ATOM 481 CD LYS A 31 12.008 4.271 2.739 1.00 0.00 C ATOM 482 CE LYS A 31 11.606 5.379 3.700 1.00 0.00 C ATOM 483 NZ LYS A 31 12.245 5.214 5.035 1.00 0.00 N ATOM 0 H LYS A 31 9.730 0.650 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 31 10.004 0.529 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.127 1.499 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.212 2.705 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.205 3.243 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.672 2.463 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.075 4.073 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.837 4.598 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.888 6.344 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.522 5.385 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.946 5.989 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.956 4.304 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.279 5.234 4.930 1.00 0.00 H new ATOM 497 N PHE A 32 7.995 1.962 2.816 1.00 0.00 N ATOM 498 CA PHE A 32 6.739 2.697 2.909 1.00 0.00 C ATOM 499 C PHE A 32 6.893 3.928 3.796 1.00 0.00 C ATOM 500 O PHE A 32 7.383 3.838 4.922 1.00 0.00 O ATOM 501 CB PHE A 32 5.634 1.792 3.460 1.00 0.00 C ATOM 502 CG PHE A 32 4.267 2.413 3.403 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.757 2.886 2.205 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.493 2.521 4.547 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.500 3.458 2.150 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.235 3.092 4.497 1.00 0.00 C ATOM 507 CZ PHE A 32 1.737 3.560 3.297 1.00 0.00 C ATOM 0 H PHE A 32 8.260 1.470 3.669 1.00 0.00 H new ATOM 0 HA PHE A 32 6.464 3.026 1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.624 0.859 2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.866 1.537 4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.348 2.807 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.877 2.155 5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.114 3.825 1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.642 3.172 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.754 4.005 3.255 1.00 0.00 H new ATOM 517 N ASP A 33 6.472 5.078 3.280 1.00 0.00 N ATOM 518 CA ASP A 33 6.563 6.329 4.025 1.00 0.00 C ATOM 519 C ASP A 33 5.207 6.712 4.610 1.00 0.00 C ATOM 520 O ASP A 33 5.129 7.302 5.687 1.00 0.00 O ATOM 521 CB ASP A 33 7.076 7.450 3.119 1.00 0.00 C ATOM 522 CG ASP A 33 8.530 7.261 2.733 1.00 0.00 C ATOM 523 OD1 ASP A 33 9.410 7.731 3.485 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.788 6.643 1.679 1.00 0.00 O ATOM 0 H ASP A 33 6.065 5.170 2.349 1.00 0.00 H new ATOM 0 HA ASP A 33 7.266 6.185 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.466 7.492 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.959 8.407 3.628 1.00 0.00 H new ATOM 529 N GLY A 34 4.141 6.373 3.892 1.00 0.00 N ATOM 530 CA GLY A 34 2.803 6.690 4.356 1.00 0.00 C ATOM 531 C GLY A 34 1.911 7.207 3.244 1.00 0.00 C ATOM 532 O GLY A 34 0.693 7.294 3.405 1.00 0.00 O ATOM 0 H GLY A 34 4.180 5.885 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.353 5.799 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.864 7.438 5.147 1.00 0.00 H new ATOM 536 N LEU A 35 2.517 7.552 2.114 1.00 0.00 N ATOM 537 CA LEU A 35 1.770 8.065 0.971 1.00 0.00 C ATOM 538 C LEU A 35 1.781 7.064 -0.180 1.00 0.00 C ATOM 539 O LEU A 35 0.758 6.831 -0.824 1.00 0.00 O ATOM 540 CB LEU A 35 2.360 9.398 0.508 1.00 0.00 C ATOM 541 CG LEU A 35 1.833 10.647 1.216 1.00 0.00 C ATOM 542 CD1 LEU A 35 2.770 11.824 0.990 1.00 0.00 C ATOM 543 CD2 LEU A 35 0.428 10.980 0.736 1.00 0.00 C ATOM 0 H LEU A 35 3.524 7.486 1.964 1.00 0.00 H new ATOM 0 HA LEU A 35 0.737 8.221 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.441 9.359 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.172 9.504 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 35 1.790 10.444 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.379 12.704 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.757 11.584 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.846 12.029 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.069 11.871 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.444 11.163 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.238 10.144 0.951 1.00 0.00 H new ATOM 555 N SER A 36 2.945 6.473 -0.432 1.00 0.00 N ATOM 556 CA SER A 36 3.090 5.497 -1.507 1.00 0.00 C ATOM 557 C SER A 36 4.225 4.523 -1.206 1.00 0.00 C ATOM 558 O SER A 36 5.085 4.795 -0.369 1.00 0.00 O ATOM 559 CB SER A 36 3.352 6.207 -2.837 1.00 0.00 C ATOM 560 OG SER A 36 4.438 7.111 -2.728 1.00 0.00 O ATOM 0 H SER A 36 3.801 6.653 0.093 1.00 0.00 H new ATOM 0 HA SER A 36 2.160 4.933 -1.581 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.565 5.469 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.457 6.745 -3.148 1.00 0.00 H new ATOM 0 HG SER A 36 4.307 7.856 -3.351 1.00 0.00 H new ATOM 566 N ILE A 37 4.218 3.387 -1.895 1.00 0.00 N ATOM 567 CA ILE A 37 5.246 2.371 -1.703 1.00 0.00 C ATOM 568 C ILE A 37 6.344 2.496 -2.754 1.00 0.00 C ATOM 569 O ILE A 37 6.127 2.206 -3.931 1.00 0.00 O ATOM 570 CB ILE A 37 4.653 0.951 -1.762 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.639 0.752 -0.634 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.760 -0.089 -1.677 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.693 -0.405 -0.870 1.00 0.00 C ATOM 0 H ILE A 37 3.512 3.147 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 37 5.672 2.536 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 37 4.138 0.827 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.175 0.588 0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.059 1.667 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.325 -1.088 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.448 0.043 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.301 0.031 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.002 -0.487 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.130 -0.234 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.264 -1.329 -0.962 1.00 0.00 H new ATOM 585 N SER A 38 7.525 2.926 -2.320 1.00 0.00 N ATOM 586 CA SER A 38 8.657 3.091 -3.224 1.00 0.00 C ATOM 587 C SER A 38 9.615 1.908 -3.115 1.00 0.00 C ATOM 588 O SER A 38 10.261 1.711 -2.086 1.00 0.00 O ATOM 589 CB SER A 38 9.399 4.393 -2.914 1.00 0.00 C ATOM 590 OG SER A 38 8.502 5.488 -2.851 1.00 0.00 O ATOM 0 H SER A 38 7.722 3.166 -1.349 1.00 0.00 H new ATOM 0 HA SER A 38 8.274 3.134 -4.243 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.928 4.297 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.151 4.578 -3.681 1.00 0.00 H new ATOM 0 HG SER A 38 9.000 6.308 -2.650 1.00 0.00 H new ATOM 596 N TYR A 39 9.701 1.125 -4.184 1.00 0.00 N ATOM 597 CA TYR A 39 10.578 -0.040 -4.210 1.00 0.00 C ATOM 598 C TYR A 39 11.618 0.085 -5.319 1.00 0.00 C ATOM 599 O TYR A 39 11.276 0.239 -6.491 1.00 0.00 O ATOM 600 CB TYR A 39 9.758 -1.317 -4.405 1.00 0.00 C ATOM 601 CG TYR A 39 9.165 -1.450 -5.789 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.060 -0.697 -6.168 1.00 0.00 C ATOM 603 CD2 TYR A 39 9.708 -2.329 -6.718 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.514 -0.816 -7.431 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.170 -2.453 -7.984 1.00 0.00 C ATOM 606 CZ TYR A 39 8.073 -1.694 -8.336 1.00 0.00 C ATOM 607 OH TYR A 39 7.533 -1.816 -9.596 1.00 0.00 O ATOM 0 H TYR A 39 9.174 1.276 -5.044 1.00 0.00 H new ATOM 0 HA TYR A 39 11.099 -0.093 -3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.393 -2.180 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.953 -1.338 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.621 -0.007 -5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.566 -2.926 -6.445 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.654 -0.225 -7.709 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.606 -3.140 -8.694 1.00 0.00 H new ATOM 0 HH TYR A 39 8.045 -2.475 -10.109 1.00 0.00 H new ATOM 617 N TYR A 40 12.889 0.015 -4.939 1.00 0.00 N ATOM 618 CA TYR A 40 13.980 0.122 -5.900 1.00 0.00 C ATOM 619 C TYR A 40 14.771 -1.180 -5.973 1.00 0.00 C ATOM 620 O TYR A 40 14.416 -2.172 -5.337 1.00 0.00 O ATOM 621 CB TYR A 40 14.910 1.276 -5.521 1.00 0.00 C ATOM 622 CG TYR A 40 14.184 2.484 -4.972 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.865 2.573 -3.623 1.00 0.00 C ATOM 624 CD2 TYR A 40 13.819 3.536 -5.803 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.201 3.674 -3.118 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.156 4.641 -5.306 1.00 0.00 C ATOM 627 CZ TYR A 40 12.849 4.706 -3.963 1.00 0.00 C ATOM 628 OH TYR A 40 12.189 5.805 -3.463 1.00 0.00 O ATOM 0 H TYR A 40 13.189 -0.115 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 40 13.548 0.319 -6.881 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.627 0.925 -4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.482 1.574 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.141 1.768 -2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.058 3.489 -6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.959 3.727 -2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.879 5.450 -5.966 1.00 0.00 H new ATOM 0 HH TYR A 40 12.015 6.440 -4.189 1.00 0.00 H new ATOM 789 N GLY A 50 9.738 2.562 -9.938 1.00 0.00 N ATOM 790 CA GLY A 50 8.643 1.721 -9.490 1.00 0.00 C ATOM 791 C GLY A 50 8.038 2.204 -8.187 1.00 0.00 C ATOM 792 O GLY A 50 8.693 2.183 -7.145 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.870 1.695 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.001 0.699 -9.364 1.00 0.00 H new ATOM 796 N ILE A 51 6.784 2.641 -8.245 1.00 0.00 N ATOM 797 CA ILE A 51 6.091 3.132 -7.061 1.00 0.00 C ATOM 798 C ILE A 51 4.591 2.878 -7.157 1.00 0.00 C ATOM 799 O ILE A 51 3.996 3.011 -8.227 1.00 0.00 O ATOM 800 CB ILE A 51 6.332 4.639 -6.851 1.00 0.00 C ATOM 801 CG1 ILE A 51 6.011 5.033 -5.408 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.494 5.450 -7.827 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.346 6.473 -5.087 1.00 0.00 C ATOM 0 H ILE A 51 6.228 2.665 -9.100 1.00 0.00 H new ATOM 0 HA ILE A 51 6.496 2.585 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 51 7.384 4.854 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.950 4.865 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.562 4.380 -4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.675 6.513 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.768 5.186 -8.848 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.438 5.234 -7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.093 6.683 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.412 6.642 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.775 7.134 -5.740 1.00 0.00 H new ATOM 815 N ILE A 52 3.985 2.513 -6.032 1.00 0.00 N ATOM 816 CA ILE A 52 2.553 2.242 -5.989 1.00 0.00 C ATOM 817 C ILE A 52 1.833 3.239 -5.087 1.00 0.00 C ATOM 818 O ILE A 52 2.052 3.290 -3.877 1.00 0.00 O ATOM 819 CB ILE A 52 2.265 0.814 -5.491 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.006 -0.210 -6.352 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.768 0.541 -5.504 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.204 -1.545 -5.669 1.00 0.00 C ATOM 0 H ILE A 52 4.463 2.398 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 52 2.181 2.343 -7.009 1.00 0.00 H new ATOM 0 HB ILE A 52 2.623 0.724 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.451 -0.364 -7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.979 0.196 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.580 -0.472 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.263 1.253 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.388 0.646 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.736 -2.221 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.785 -1.405 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.233 -1.973 -5.418 1.00 0.00 H new ATOM 834 N PRO A 53 0.950 4.050 -5.689 1.00 0.00 N ATOM 835 CA PRO A 53 0.177 5.059 -4.958 1.00 0.00 C ATOM 836 C PRO A 53 -0.872 4.435 -4.043 1.00 0.00 C ATOM 837 O PRO A 53 -1.716 3.657 -4.489 1.00 0.00 O ATOM 838 CB PRO A 53 -0.497 5.864 -6.072 1.00 0.00 C ATOM 839 CG PRO A 53 -0.578 4.923 -7.224 1.00 0.00 C ATOM 840 CD PRO A 53 0.638 4.045 -7.128 1.00 0.00 C ATOM 0 HA PRO A 53 0.807 5.658 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.487 6.206 -5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.083 6.751 -6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.492 4.330 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.595 5.465 -8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.436 3.038 -7.492 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.465 4.438 -7.720 1.00 0.00 H new ATOM 848 N LEU A 54 -0.813 4.781 -2.762 1.00 0.00 N ATOM 849 CA LEU A 54 -1.758 4.255 -1.784 1.00 0.00 C ATOM 850 C LEU A 54 -3.184 4.302 -2.324 1.00 0.00 C ATOM 851 O LEU A 54 -4.006 3.442 -2.010 1.00 0.00 O ATOM 852 CB LEU A 54 -1.668 5.050 -0.480 1.00 0.00 C ATOM 853 CG LEU A 54 -2.837 4.881 0.492 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.596 3.695 1.414 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.048 6.153 1.300 1.00 0.00 C ATOM 0 H LEU A 54 -0.121 5.423 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.498 3.215 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.750 4.764 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.578 6.108 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.741 4.689 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.437 3.590 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.496 2.787 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.682 3.858 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.884 6.014 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.145 6.377 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.266 6.981 0.625 1.00 0.00 H new ATOM 867 N SER A 55 -3.469 5.312 -3.140 1.00 0.00 N ATOM 868 CA SER A 55 -4.796 5.472 -3.723 1.00 0.00 C ATOM 869 C SER A 55 -5.160 4.267 -4.585 1.00 0.00 C ATOM 870 O SER A 55 -6.271 3.744 -4.503 1.00 0.00 O ATOM 871 CB SER A 55 -4.857 6.750 -4.562 1.00 0.00 C ATOM 872 OG SER A 55 -3.808 6.785 -5.515 1.00 0.00 O ATOM 0 H SER A 55 -2.799 6.031 -3.412 1.00 0.00 H new ATOM 0 HA SER A 55 -5.517 5.545 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.818 6.808 -5.072 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.789 7.621 -3.910 1.00 0.00 H new ATOM 0 HG SER A 55 -3.870 7.610 -6.040 1.00 0.00 H new ATOM 878 N ALA A 56 -4.214 3.832 -5.412 1.00 0.00 N ATOM 879 CA ALA A 56 -4.433 2.688 -6.288 1.00 0.00 C ATOM 880 C ALA A 56 -4.890 1.468 -5.495 1.00 0.00 C ATOM 881 O ALA A 56 -5.866 0.811 -5.857 1.00 0.00 O ATOM 882 CB ALA A 56 -3.165 2.368 -7.066 1.00 0.00 C ATOM 0 H ALA A 56 -3.289 4.255 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.223 2.948 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.343 1.511 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.882 3.230 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.360 2.133 -6.369 1.00 0.00 H new ATOM 888 N ILE A 57 -4.179 1.172 -4.412 1.00 0.00 N ATOM 889 CA ILE A 57 -4.514 0.031 -3.568 1.00 0.00 C ATOM 890 C ILE A 57 -5.969 0.090 -3.116 1.00 0.00 C ATOM 891 O ILE A 57 -6.335 0.906 -2.270 1.00 0.00 O ATOM 892 CB ILE A 57 -3.605 -0.036 -2.326 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.140 -0.179 -2.747 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.019 -1.191 -1.428 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.160 0.219 -1.666 1.00 0.00 C ATOM 0 H ILE A 57 -3.368 1.706 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.359 -0.864 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.713 0.892 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.952 -1.214 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.963 0.434 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.367 -1.225 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.051 -1.049 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.936 -2.128 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.142 0.092 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.321 1.262 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.310 -0.411 -0.789 1.00 0.00 H new ATOM 907 N SER A 58 -6.794 -0.783 -3.684 1.00 0.00 N ATOM 908 CA SER A 58 -8.211 -0.830 -3.341 1.00 0.00 C ATOM 909 C SER A 58 -8.434 -1.633 -2.063 1.00 0.00 C ATOM 910 O SER A 58 -9.153 -1.200 -1.161 1.00 0.00 O ATOM 911 CB SER A 58 -9.015 -1.444 -4.489 1.00 0.00 C ATOM 912 OG SER A 58 -10.338 -0.937 -4.513 1.00 0.00 O ATOM 0 H SER A 58 -6.506 -1.467 -4.384 1.00 0.00 H new ATOM 0 HA SER A 58 -8.553 0.191 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.523 -1.229 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.040 -2.528 -4.381 1.00 0.00 H new ATOM 0 HG SER A 58 -10.831 -1.343 -5.256 1.00 0.00 H new ATOM 918 N THR A 59 -7.812 -2.806 -1.992 1.00 0.00 N ATOM 919 CA THR A 59 -7.943 -3.670 -0.826 1.00 0.00 C ATOM 920 C THR A 59 -6.786 -4.659 -0.742 1.00 0.00 C ATOM 921 O THR A 59 -6.067 -4.873 -1.719 1.00 0.00 O ATOM 922 CB THR A 59 -9.270 -4.452 -0.851 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.516 -5.042 0.430 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.239 -5.537 -1.917 1.00 0.00 C ATOM 0 H THR A 59 -7.213 -3.179 -2.728 1.00 0.00 H new ATOM 0 HA THR A 59 -7.929 -3.022 0.050 1.00 0.00 H new ATOM 0 HB THR A 59 -10.073 -3.754 -1.089 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.362 -5.536 0.406 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.187 -6.076 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.082 -5.082 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.426 -6.232 -1.705 1.00 0.00 H new ATOM 932 N VAL A 60 -6.610 -5.260 0.430 1.00 0.00 N ATOM 933 CA VAL A 60 -5.541 -6.229 0.641 1.00 0.00 C ATOM 934 C VAL A 60 -6.069 -7.494 1.307 1.00 0.00 C ATOM 935 O VAL A 60 -6.904 -7.431 2.210 1.00 0.00 O ATOM 936 CB VAL A 60 -4.412 -5.638 1.506 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.258 -6.622 1.622 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.937 -4.313 0.930 1.00 0.00 C ATOM 0 H VAL A 60 -7.195 -5.093 1.249 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.142 -6.480 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.803 -5.453 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.470 -6.187 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.611 -7.544 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.865 -6.841 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.139 -3.910 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.562 -4.469 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.768 -3.609 0.904 1.00 0.00 H new ATOM 948 N ARG A 61 -5.575 -8.643 0.857 1.00 0.00 N ATOM 949 CA ARG A 61 -5.997 -9.925 1.410 1.00 0.00 C ATOM 950 C ARG A 61 -4.814 -10.880 1.532 1.00 0.00 C ATOM 951 O ARG A 61 -3.898 -10.859 0.711 1.00 0.00 O ATOM 952 CB ARG A 61 -7.083 -10.550 0.532 1.00 0.00 C ATOM 953 CG ARG A 61 -6.686 -10.675 -0.930 1.00 0.00 C ATOM 954 CD ARG A 61 -7.869 -11.083 -1.795 1.00 0.00 C ATOM 955 NE ARG A 61 -8.043 -12.533 -1.835 1.00 0.00 N ATOM 956 CZ ARG A 61 -9.148 -13.129 -2.267 1.00 0.00 C ATOM 957 NH1 ARG A 61 -10.172 -12.403 -2.696 1.00 0.00 N ATOM 958 NH2 ARG A 61 -9.231 -14.453 -2.273 1.00 0.00 N ATOM 0 H ARG A 61 -4.882 -8.713 0.111 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.402 -9.747 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.327 -11.539 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.988 -9.947 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.287 -9.724 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.889 -11.412 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.777 -10.619 -1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.724 -10.707 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.273 -13.120 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.111 -11.385 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.020 -12.863 -3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.445 -15.015 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.081 -14.909 -2.605 1.00 0.00 H new ATOM 972 N VAL A 62 -4.841 -11.718 2.564 1.00 0.00 N ATOM 973 CA VAL A 62 -3.771 -12.682 2.794 1.00 0.00 C ATOM 974 C VAL A 62 -3.909 -13.887 1.871 1.00 0.00 C ATOM 975 O VAL A 62 -5.019 -14.288 1.520 1.00 0.00 O ATOM 976 CB VAL A 62 -3.759 -13.168 4.256 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.460 -12.013 5.200 1.00 0.00 C ATOM 978 CG2 VAL A 62 -5.084 -13.827 4.609 1.00 0.00 C ATOM 0 H VAL A 62 -5.592 -11.749 3.254 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.832 -12.170 2.581 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.969 -13.911 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.456 -12.375 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.484 -11.590 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.225 -11.245 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.058 -14.164 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.893 -13.108 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.251 -14.682 3.953 1.00 0.00 H new ATOM 988 N GLN A 63 -2.775 -14.459 1.481 1.00 0.00 N ATOM 989 CA GLN A 63 -2.770 -15.619 0.597 1.00 0.00 C ATOM 990 C GLN A 63 -2.298 -16.866 1.338 1.00 0.00 C ATOM 991 O GLN A 63 -1.518 -16.779 2.285 1.00 0.00 O ATOM 992 CB GLN A 63 -1.871 -15.360 -0.613 1.00 0.00 C ATOM 993 CG GLN A 63 -2.295 -16.121 -1.859 1.00 0.00 C ATOM 994 CD GLN A 63 -3.291 -15.350 -2.703 1.00 0.00 C ATOM 995 OE1 GLN A 63 -4.503 -15.482 -2.530 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.784 -14.539 -3.624 1.00 0.00 N ATOM 0 H GLN A 63 -1.848 -14.139 1.763 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.791 -15.787 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.869 -14.292 -0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.847 -15.635 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.414 -16.347 -2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.734 -17.075 -1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.773 -14.460 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.406 -13.995 -4.222 1.00 0.00 H new ATOM 1005 N GLY A 64 -2.778 -18.026 0.900 1.00 0.00 N ATOM 1006 CA GLY A 64 -2.395 -19.274 1.533 1.00 0.00 C ATOM 1007 C GLY A 64 -0.942 -19.282 1.967 1.00 0.00 C ATOM 1008 O GLY A 64 -0.645 -19.246 3.162 1.00 0.00 O ATOM 0 H GLY A 64 -3.425 -18.123 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.031 -19.448 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.569 -20.097 0.840 1.00 0.00 H new ATOM 1012 N ASP A 65 -0.037 -19.330 0.997 1.00 0.00 N ATOM 1013 CA ASP A 65 1.393 -19.343 1.285 1.00 0.00 C ATOM 1014 C ASP A 65 1.797 -18.109 2.087 1.00 0.00 C ATOM 1015 O ASP A 65 0.954 -17.291 2.452 1.00 0.00 O ATOM 1016 CB ASP A 65 2.196 -19.407 -0.014 1.00 0.00 C ATOM 1017 CG ASP A 65 1.925 -20.675 -0.801 1.00 0.00 C ATOM 1018 OD1 ASP A 65 1.883 -21.759 -0.182 1.00 0.00 O ATOM 1019 OD2 ASP A 65 1.754 -20.582 -2.034 1.00 0.00 O ATOM 0 H ASP A 65 -0.267 -19.361 0.004 1.00 0.00 H new ATOM 0 HA ASP A 65 1.610 -20.229 1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.954 -18.541 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.260 -19.346 0.216 1.00 0.00 H new ATOM 1024 N ASN A 66 3.092 -17.984 2.359 1.00 0.00 N ATOM 1025 CA ASN A 66 3.607 -16.851 3.119 1.00 0.00 C ATOM 1026 C ASN A 66 3.689 -15.602 2.246 1.00 0.00 C ATOM 1027 O ASN A 66 4.746 -14.984 2.124 1.00 0.00 O ATOM 1028 CB ASN A 66 4.989 -17.179 3.689 1.00 0.00 C ATOM 1029 CG ASN A 66 5.018 -18.520 4.397 1.00 0.00 C ATOM 1030 OD1 ASN A 66 3.974 -19.095 4.706 1.00 0.00 O ATOM 1031 ND2 ASN A 66 6.219 -19.025 4.658 1.00 0.00 N ATOM 0 H ASN A 66 3.803 -18.653 2.065 1.00 0.00 H new ATOM 0 HA ASN A 66 2.919 -16.654 3.941 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.721 -17.181 2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.287 -16.396 4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.302 -19.924 5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.058 -18.514 4.384 1.00 0.00 H new ATOM 1038 N LYS A 67 2.564 -15.236 1.642 1.00 0.00 N ATOM 1039 CA LYS A 67 2.505 -14.060 0.782 1.00 0.00 C ATOM 1040 C LYS A 67 1.142 -13.382 0.880 1.00 0.00 C ATOM 1041 O LYS A 67 0.188 -13.957 1.404 1.00 0.00 O ATOM 1042 CB LYS A 67 2.789 -14.450 -0.671 1.00 0.00 C ATOM 1043 CG LYS A 67 4.071 -15.245 -0.847 1.00 0.00 C ATOM 1044 CD LYS A 67 4.221 -15.753 -2.271 1.00 0.00 C ATOM 1045 CE LYS A 67 3.540 -17.100 -2.457 1.00 0.00 C ATOM 1046 NZ LYS A 67 2.105 -16.949 -2.829 1.00 0.00 N ATOM 0 H LYS A 67 1.680 -15.737 1.732 1.00 0.00 H new ATOM 0 HA LYS A 67 3.266 -13.356 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.953 -15.036 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.846 -13.546 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.926 -14.619 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.075 -16.088 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.792 -15.029 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.279 -15.842 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.058 -17.665 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.618 -17.677 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.812 -17.755 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.524 -16.920 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.976 -16.066 -3.363 1.00 0.00 H new ATOM 1060 N PHE A 68 1.058 -12.157 0.371 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.189 -11.401 0.401 1.00 0.00 C ATOM 1062 C PHE A 68 -0.447 -10.725 -0.943 1.00 0.00 C ATOM 1063 O PHE A 68 0.487 -10.364 -1.657 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.147 -10.351 1.513 1.00 0.00 C ATOM 1065 CG PHE A 68 0.977 -9.365 1.365 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.289 -9.752 1.585 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.721 -8.052 1.006 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.325 -8.848 1.450 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.753 -7.143 0.868 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.057 -7.541 1.092 1.00 0.00 C ATOM 0 H PHE A 68 1.838 -11.667 -0.067 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.003 -12.098 0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.094 -9.811 1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.053 -10.855 2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.504 -10.772 1.865 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.297 -7.735 0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.343 -9.163 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.540 -6.123 0.585 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.865 -6.832 0.987 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.723 -10.557 -1.279 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.104 -9.926 -2.536 1.00 0.00 C ATOM 1082 C GLU A 69 -2.571 -8.492 -2.306 1.00 0.00 C ATOM 1083 O GLU A 69 -3.295 -8.209 -1.351 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.211 -10.730 -3.222 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.307 -10.482 -4.717 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.128 -11.537 -5.433 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.368 -11.523 -5.285 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -3.532 -12.375 -6.140 1.00 0.00 O ATOM 0 H GLU A 69 -2.509 -10.849 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.226 -9.905 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.037 -11.792 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.167 -10.484 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.751 -9.502 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.304 -10.457 -5.142 1.00 0.00 H new ATOM 1095 N VAL A 70 -2.151 -7.590 -3.187 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.525 -6.185 -3.081 1.00 0.00 C ATOM 1097 C VAL A 70 -3.267 -5.718 -4.328 1.00 0.00 C ATOM 1098 O VAL A 70 -2.656 -5.444 -5.361 1.00 0.00 O ATOM 1099 CB VAL A 70 -1.291 -5.289 -2.865 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.697 -3.824 -2.806 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.551 -5.697 -1.600 1.00 0.00 C ATOM 0 H VAL A 70 -1.551 -7.807 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.183 -6.098 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.617 -5.420 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.812 -3.207 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.178 -3.542 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.392 -3.672 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.318 -5.053 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.215 -5.597 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.225 -6.733 -1.688 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.589 -5.629 -4.225 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.416 -5.193 -5.345 1.00 0.00 C ATOM 1113 C VAL A 71 -5.311 -3.686 -5.551 1.00 0.00 C ATOM 1114 O VAL A 71 -5.329 -2.914 -4.592 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.894 -5.570 -5.131 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.708 -5.268 -6.381 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -7.019 -7.036 -4.745 1.00 0.00 C ATOM 0 H VAL A 71 -5.111 -5.853 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.043 -5.705 -6.232 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.290 -4.968 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.750 -5.541 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.644 -4.204 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.314 -5.843 -7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.070 -7.285 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.607 -7.658 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.470 -7.217 -3.821 1.00 0.00 H new ATOM 1127 N THR A 72 -5.203 -3.273 -6.810 1.00 0.00 N ATOM 1128 CA THR A 72 -5.095 -1.858 -7.144 1.00 0.00 C ATOM 1129 C THR A 72 -6.315 -1.383 -7.925 1.00 0.00 C ATOM 1130 O THR A 72 -7.270 -2.135 -8.125 1.00 0.00 O ATOM 1131 CB THR A 72 -3.827 -1.571 -7.969 1.00 0.00 C ATOM 1132 OG1 THR A 72 -3.993 -2.052 -9.307 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.609 -2.228 -7.336 1.00 0.00 C ATOM 0 H THR A 72 -5.188 -3.899 -7.615 1.00 0.00 H new ATOM 0 HA THR A 72 -5.036 -1.314 -6.201 1.00 0.00 H new ATOM 0 HB THR A 72 -3.670 -0.493 -7.988 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.661 -2.769 -9.316 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.725 -2.011 -7.936 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.468 -1.838 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.760 -3.306 -7.289 1.00 0.00 H new ATOM 1141 N THR A 73 -6.277 -0.130 -8.368 1.00 0.00 N ATOM 1142 CA THR A 73 -7.379 0.446 -9.128 1.00 0.00 C ATOM 1143 C THR A 73 -8.047 -0.604 -10.009 1.00 0.00 C ATOM 1144 O THR A 73 -9.264 -0.777 -9.969 1.00 0.00 O ATOM 1145 CB THR A 73 -6.903 1.614 -10.011 1.00 0.00 C ATOM 1146 OG1 THR A 73 -6.137 2.538 -9.230 1.00 0.00 O ATOM 1147 CG2 THR A 73 -8.086 2.334 -10.641 1.00 0.00 C ATOM 0 H THR A 73 -5.494 0.505 -8.213 1.00 0.00 H new ATOM 0 HA THR A 73 -8.101 0.821 -8.403 1.00 0.00 H new ATOM 0 HB THR A 73 -6.280 1.207 -10.807 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.837 3.277 -9.799 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.725 3.155 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.650 1.635 -11.258 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.732 2.728 -9.856 1.00 0.00 H new ATOM 1155 N GLN A 74 -7.241 -1.301 -10.804 1.00 0.00 N ATOM 1156 CA GLN A 74 -7.756 -2.334 -11.695 1.00 0.00 C ATOM 1157 C GLN A 74 -6.918 -3.605 -11.596 1.00 0.00 C ATOM 1158 O GLN A 74 -7.449 -4.695 -11.381 1.00 0.00 O ATOM 1159 CB GLN A 74 -7.770 -1.830 -13.140 1.00 0.00 C ATOM 1160 CG GLN A 74 -8.702 -0.650 -13.363 1.00 0.00 C ATOM 1161 CD GLN A 74 -8.977 -0.393 -14.831 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -8.057 -0.353 -15.649 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -10.248 -0.218 -15.174 1.00 0.00 N ATOM 0 H GLN A 74 -6.231 -1.169 -10.849 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.776 -2.568 -11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.758 -1.542 -13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.067 -2.647 -13.798 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.645 -0.834 -12.847 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.264 0.243 -12.918 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.978 -0.259 -14.463 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.494 -0.042 -16.148 1.00 0.00 H new ATOM 1172 N ARG A 75 -5.607 -3.458 -11.755 1.00 0.00 N ATOM 1173 CA ARG A 75 -4.696 -4.594 -11.685 1.00 0.00 C ATOM 1174 C ARG A 75 -4.424 -4.984 -10.235 1.00 0.00 C ATOM 1175 O ARG A 75 -4.948 -4.368 -9.306 1.00 0.00 O ATOM 1176 CB ARG A 75 -3.380 -4.265 -12.392 1.00 0.00 C ATOM 1177 CG ARG A 75 -2.491 -3.312 -11.610 1.00 0.00 C ATOM 1178 CD ARG A 75 -2.777 -1.862 -11.967 1.00 0.00 C ATOM 1179 NE ARG A 75 -2.920 -1.671 -13.408 1.00 0.00 N ATOM 1180 CZ ARG A 75 -1.892 -1.627 -14.248 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -0.654 -1.761 -13.794 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -2.102 -1.451 -15.546 1.00 0.00 N ATOM 0 H ARG A 75 -5.152 -2.563 -11.933 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.169 -5.438 -12.188 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.834 -5.191 -12.575 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.600 -3.827 -13.366 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.646 -3.462 -10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.445 -3.538 -11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.690 -1.539 -11.466 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.969 -1.231 -11.596 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.860 -1.566 -13.790 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.489 -1.898 -12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.133 -1.727 -14.442 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.053 -1.349 -15.900 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.312 -1.417 -16.190 1.00 0.00 H new ATOM 1196 N THR A 76 -3.600 -6.011 -10.048 1.00 0.00 N ATOM 1197 CA THR A 76 -3.259 -6.484 -8.713 1.00 0.00 C ATOM 1198 C THR A 76 -1.778 -6.830 -8.613 1.00 0.00 C ATOM 1199 O THR A 76 -1.175 -7.305 -9.576 1.00 0.00 O ATOM 1200 CB THR A 76 -4.091 -7.722 -8.326 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.456 -7.347 -8.112 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.536 -8.375 -7.069 1.00 0.00 C ATOM 0 H THR A 76 -3.157 -6.531 -10.805 1.00 0.00 H new ATOM 0 HA THR A 76 -3.487 -5.672 -8.023 1.00 0.00 H new ATOM 0 HB THR A 76 -4.036 -8.440 -9.144 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.979 -8.139 -7.868 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.139 -9.247 -6.815 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.506 -8.685 -7.245 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.565 -7.662 -6.245 1.00 0.00 H new ATOM 1210 N PHE A 77 -1.196 -6.589 -7.443 1.00 0.00 N ATOM 1211 CA PHE A 77 0.216 -6.875 -7.219 1.00 0.00 C ATOM 1212 C PHE A 77 0.388 -8.008 -6.211 1.00 0.00 C ATOM 1213 O PHE A 77 -0.546 -8.362 -5.492 1.00 0.00 O ATOM 1214 CB PHE A 77 0.939 -5.622 -6.721 1.00 0.00 C ATOM 1215 CG PHE A 77 1.170 -4.597 -7.795 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.825 -4.938 -8.967 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.731 -3.293 -7.632 1.00 0.00 C ATOM 1218 CE1 PHE A 77 2.039 -3.997 -9.956 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.942 -2.347 -8.618 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.596 -2.700 -9.782 1.00 0.00 C ATOM 0 H PHE A 77 -1.680 -6.196 -6.636 1.00 0.00 H new ATOM 0 HA PHE A 77 0.653 -7.186 -8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.356 -5.171 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.899 -5.912 -6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.172 -5.951 -9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.218 -3.012 -6.724 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.552 -4.275 -10.865 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.596 -1.334 -8.478 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.761 -1.964 -10.555 1.00 0.00 H new ATOM 1230 N VAL A 78 1.589 -8.575 -6.167 1.00 0.00 N ATOM 1231 CA VAL A 78 1.885 -9.668 -5.248 1.00 0.00 C ATOM 1232 C VAL A 78 3.216 -9.445 -4.539 1.00 0.00 C ATOM 1233 O VAL A 78 4.218 -9.106 -5.168 1.00 0.00 O ATOM 1234 CB VAL A 78 1.928 -11.022 -5.982 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.044 -12.166 -4.986 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.698 -11.191 -6.860 1.00 0.00 C ATOM 0 H VAL A 78 2.373 -8.296 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 78 1.083 -9.687 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 78 2.809 -11.040 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.073 -13.114 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.958 -12.050 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.184 -12.154 -4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.745 -12.153 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.199 -11.152 -6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.665 -10.389 -7.598 1.00 0.00 H new ATOM 1246 N PHE A 79 3.219 -9.637 -3.224 1.00 0.00 N ATOM 1247 CA PHE A 79 4.427 -9.456 -2.427 1.00 0.00 C ATOM 1248 C PHE A 79 4.659 -10.655 -1.512 1.00 0.00 C ATOM 1249 O PHE A 79 3.711 -11.273 -1.027 1.00 0.00 O ATOM 1250 CB PHE A 79 4.327 -8.177 -1.594 1.00 0.00 C ATOM 1251 CG PHE A 79 4.584 -6.926 -2.384 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.867 -6.598 -2.790 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.541 -6.077 -2.720 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.107 -5.447 -3.517 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.775 -4.925 -3.448 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.060 -4.609 -3.846 1.00 0.00 C ATOM 0 H PHE A 79 2.398 -9.918 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 79 5.273 -9.372 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.333 -8.119 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.041 -8.231 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.690 -7.249 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.535 -6.318 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.112 -5.203 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.954 -4.272 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.245 -3.709 -4.413 1.00 0.00 H new ATOM 1266 N ARG A 80 5.928 -10.979 -1.282 1.00 0.00 N ATOM 1267 CA ARG A 80 6.286 -12.105 -0.428 1.00 0.00 C ATOM 1268 C ARG A 80 7.142 -11.643 0.748 1.00 0.00 C ATOM 1269 O ARG A 80 8.101 -10.891 0.574 1.00 0.00 O ATOM 1270 CB ARG A 80 7.037 -13.166 -1.234 1.00 0.00 C ATOM 1271 CG ARG A 80 7.898 -14.083 -0.381 1.00 0.00 C ATOM 1272 CD ARG A 80 8.188 -15.395 -1.093 1.00 0.00 C ATOM 1273 NE ARG A 80 9.343 -16.083 -0.522 1.00 0.00 N ATOM 1274 CZ ARG A 80 10.083 -16.959 -1.193 1.00 0.00 C ATOM 1275 NH1 ARG A 80 9.789 -17.251 -2.453 1.00 0.00 N ATOM 1276 NH2 ARG A 80 11.118 -17.544 -0.605 1.00 0.00 N ATOM 0 H ARG A 80 6.725 -10.478 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 80 5.366 -12.540 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.316 -13.769 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.669 -12.670 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.836 -13.583 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.392 -14.284 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.313 -16.042 -1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.367 -15.202 -2.151 1.00 0.00 H new ATOM 0 HE ARG A 80 9.595 -15.880 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.994 -16.803 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.358 -17.924 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.347 -17.322 0.364 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.685 -18.216 -1.122 1.00 0.00 H new ATOM 1290 N VAL A 81 6.789 -12.099 1.945 1.00 0.00 N ATOM 1291 CA VAL A 81 7.525 -11.734 3.150 1.00 0.00 C ATOM 1292 C VAL A 81 8.482 -12.845 3.567 1.00 0.00 C ATOM 1293 O VAL A 81 8.415 -13.961 3.052 1.00 0.00 O ATOM 1294 CB VAL A 81 6.570 -11.429 4.320 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.010 -10.020 4.198 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.449 -12.455 4.374 1.00 0.00 C ATOM 0 H VAL A 81 5.998 -12.722 2.107 1.00 0.00 H new ATOM 0 HA VAL A 81 8.096 -10.836 2.913 1.00 0.00 H new ATOM 0 HB VAL A 81 7.133 -11.491 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.338 -9.822 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.829 -9.301 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.462 -9.926 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.784 -12.224 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.886 -12.428 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.873 -13.450 4.513 1.00 0.00 H new ATOM 1306 N GLU A 82 9.373 -12.531 4.502 1.00 0.00 N ATOM 1307 CA GLU A 82 10.345 -13.504 4.988 1.00 0.00 C ATOM 1308 C GLU A 82 9.963 -14.009 6.376 1.00 0.00 C ATOM 1309 O GLU A 82 10.340 -15.111 6.775 1.00 0.00 O ATOM 1310 CB GLU A 82 11.744 -12.885 5.025 1.00 0.00 C ATOM 1311 CG GLU A 82 12.863 -13.912 5.058 1.00 0.00 C ATOM 1312 CD GLU A 82 13.042 -14.537 6.428 1.00 0.00 C ATOM 1313 OE1 GLU A 82 13.520 -13.835 7.343 1.00 0.00 O ATOM 1314 OE2 GLU A 82 12.702 -15.728 6.585 1.00 0.00 O ATOM 0 H GLU A 82 9.442 -11.611 4.938 1.00 0.00 H new ATOM 0 HA GLU A 82 10.348 -14.350 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.873 -12.247 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.825 -12.243 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.653 -14.696 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.796 -13.437 4.755 1.00 0.00 H new ATOM 1321 N LYS A 83 9.212 -13.194 7.110 1.00 0.00 N ATOM 1322 CA LYS A 83 8.777 -13.555 8.453 1.00 0.00 C ATOM 1323 C LYS A 83 7.255 -13.571 8.547 1.00 0.00 C ATOM 1324 O LYS A 83 6.565 -13.086 7.651 1.00 0.00 O ATOM 1325 CB LYS A 83 9.352 -12.575 9.479 1.00 0.00 C ATOM 1326 CG LYS A 83 10.854 -12.699 9.663 1.00 0.00 C ATOM 1327 CD LYS A 83 11.453 -11.424 10.233 1.00 0.00 C ATOM 1328 CE LYS A 83 11.240 -11.333 11.737 1.00 0.00 C ATOM 1329 NZ LYS A 83 11.945 -12.425 12.464 1.00 0.00 N ATOM 0 H LYS A 83 8.892 -12.278 6.796 1.00 0.00 H new ATOM 0 HA LYS A 83 9.147 -14.557 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.115 -11.557 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.862 -12.738 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.072 -13.534 10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.321 -12.925 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.520 -11.392 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.001 -10.559 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.597 -10.368 12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.173 -11.380 11.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.128 -12.128 13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.352 -13.280 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.848 -12.631 11.990 1.00 0.00 H new ATOM 1343 N GLU A 84 6.739 -14.130 9.637 1.00 0.00 N ATOM 1344 CA GLU A 84 5.298 -14.207 9.846 1.00 0.00 C ATOM 1345 C GLU A 84 4.741 -12.861 10.302 1.00 0.00 C ATOM 1346 O GLU A 84 3.824 -12.317 9.687 1.00 0.00 O ATOM 1347 CB GLU A 84 4.967 -15.284 10.881 1.00 0.00 C ATOM 1348 CG GLU A 84 3.478 -15.551 11.028 1.00 0.00 C ATOM 1349 CD GLU A 84 3.133 -16.220 12.344 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.939 -15.498 13.344 1.00 0.00 O ATOM 1351 OE2 GLU A 84 3.056 -17.466 12.373 1.00 0.00 O ATOM 0 H GLU A 84 7.297 -14.536 10.388 1.00 0.00 H new ATOM 0 HA GLU A 84 4.833 -14.470 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.468 -16.211 10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.371 -14.983 11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.934 -14.610 10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.143 -16.182 10.205 1.00 0.00 H new ATOM 1358 N GLU A 85 5.303 -12.330 11.384 1.00 0.00 N ATOM 1359 CA GLU A 85 4.862 -11.049 11.922 1.00 0.00 C ATOM 1360 C GLU A 85 4.783 -9.995 10.822 1.00 0.00 C ATOM 1361 O GLU A 85 3.834 -9.213 10.766 1.00 0.00 O ATOM 1362 CB GLU A 85 5.813 -10.580 13.026 1.00 0.00 C ATOM 1363 CG GLU A 85 5.550 -11.231 14.373 1.00 0.00 C ATOM 1364 CD GLU A 85 6.281 -10.540 15.508 1.00 0.00 C ATOM 1365 OE1 GLU A 85 6.087 -9.318 15.680 1.00 0.00 O ATOM 1366 OE2 GLU A 85 7.046 -11.220 16.223 1.00 0.00 O ATOM 0 H GLU A 85 6.064 -12.767 11.904 1.00 0.00 H new ATOM 0 HA GLU A 85 3.866 -11.184 12.343 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.839 -10.791 12.724 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.728 -9.498 13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.479 -11.219 14.575 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.855 -12.277 14.333 1.00 0.00 H new ATOM 1373 N GLU A 86 5.786 -9.981 9.950 1.00 0.00 N ATOM 1374 CA GLU A 86 5.830 -9.022 8.853 1.00 0.00 C ATOM 1375 C GLU A 86 4.519 -9.026 8.073 1.00 0.00 C ATOM 1376 O GLU A 86 3.874 -7.989 7.915 1.00 0.00 O ATOM 1377 CB GLU A 86 6.996 -9.340 7.914 1.00 0.00 C ATOM 1378 CG GLU A 86 8.358 -9.016 8.503 1.00 0.00 C ATOM 1379 CD GLU A 86 9.495 -9.327 7.549 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.415 -10.357 6.848 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.464 -8.540 7.504 1.00 0.00 O ATOM 0 H GLU A 86 6.578 -10.622 9.982 1.00 0.00 H new ATOM 0 HA GLU A 86 5.976 -8.029 9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.964 -10.398 7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.868 -8.781 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.392 -7.960 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.496 -9.583 9.424 1.00 0.00 H new ATOM 1388 N ARG A 87 4.130 -10.201 7.587 1.00 0.00 N ATOM 1389 CA ARG A 87 2.897 -10.341 6.822 1.00 0.00 C ATOM 1390 C ARG A 87 1.824 -9.389 7.342 1.00 0.00 C ATOM 1391 O ARG A 87 1.345 -8.521 6.614 1.00 0.00 O ATOM 1392 CB ARG A 87 2.391 -11.783 6.890 1.00 0.00 C ATOM 1393 CG ARG A 87 1.623 -12.218 5.653 1.00 0.00 C ATOM 1394 CD ARG A 87 0.902 -13.538 5.880 1.00 0.00 C ATOM 1395 NE ARG A 87 1.809 -14.679 5.795 1.00 0.00 N ATOM 1396 CZ ARG A 87 2.528 -15.124 6.820 1.00 0.00 C ATOM 1397 NH1 ARG A 87 2.445 -14.527 8.001 1.00 0.00 N ATOM 1398 NH2 ARG A 87 3.331 -16.169 6.665 1.00 0.00 N ATOM 0 H ARG A 87 4.651 -11.069 7.710 1.00 0.00 H new ATOM 0 HA ARG A 87 3.112 -10.087 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.241 -12.451 7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.748 -11.893 7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.899 -11.449 5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.310 -12.317 4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.425 -13.527 6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.109 -13.650 5.141 1.00 0.00 H new ATOM 0 HE ARG A 87 1.895 -15.161 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.828 -13.724 8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.998 -14.871 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.397 -16.632 5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.882 -16.510 7.453 1.00 0.00 H new ATOM 1412 N ASN A 88 1.450 -9.560 8.606 1.00 0.00 N ATOM 1413 CA ASN A 88 0.433 -8.717 9.223 1.00 0.00 C ATOM 1414 C ASN A 88 0.869 -7.255 9.230 1.00 0.00 C ATOM 1415 O ASN A 88 0.107 -6.367 8.845 1.00 0.00 O ATOM 1416 CB ASN A 88 0.152 -9.184 10.652 1.00 0.00 C ATOM 1417 CG ASN A 88 -0.295 -10.632 10.710 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -1.472 -10.939 10.523 1.00 0.00 O ATOM 1419 ND2 ASN A 88 0.647 -11.531 10.972 1.00 0.00 N ATOM 0 H ASN A 88 1.836 -10.275 9.223 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.480 -8.802 8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.051 -9.060 11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.618 -8.551 11.093 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.407 -12.521 11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.611 -11.231 11.120 1.00 0.00 H new ATOM 1426 N ASP A 89 2.099 -7.012 9.668 1.00 0.00 N ATOM 1427 CA ASP A 89 2.638 -5.659 9.724 1.00 0.00 C ATOM 1428 C ASP A 89 2.348 -4.905 8.430 1.00 0.00 C ATOM 1429 O ASP A 89 1.595 -3.931 8.422 1.00 0.00 O ATOM 1430 CB ASP A 89 4.145 -5.697 9.980 1.00 0.00 C ATOM 1431 CG ASP A 89 4.478 -5.877 11.448 1.00 0.00 C ATOM 1432 OD1 ASP A 89 4.092 -6.917 12.021 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.124 -4.977 12.025 1.00 0.00 O ATOM 0 H ASP A 89 2.742 -7.735 9.990 1.00 0.00 H new ATOM 0 HA ASP A 89 2.151 -5.134 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.588 -6.512 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.595 -4.772 9.619 1.00 0.00 H new ATOM 1438 N TRP A 90 2.952 -5.361 7.338 1.00 0.00 N ATOM 1439 CA TRP A 90 2.760 -4.728 6.038 1.00 0.00 C ATOM 1440 C TRP A 90 1.290 -4.394 5.808 1.00 0.00 C ATOM 1441 O TRP A 90 0.931 -3.231 5.622 1.00 0.00 O ATOM 1442 CB TRP A 90 3.268 -5.643 4.923 1.00 0.00 C ATOM 1443 CG TRP A 90 4.756 -5.597 4.749 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.649 -6.582 5.060 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.524 -4.508 4.225 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.926 -6.172 4.760 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.876 -4.903 4.246 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.201 -3.239 3.738 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.901 -4.073 3.800 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.220 -2.416 3.296 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.556 -2.836 3.329 1.00 0.00 C ATOM 0 H TRP A 90 3.578 -6.166 7.327 1.00 0.00 H new ATOM 0 HA TRP A 90 3.331 -3.800 6.025 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.966 -6.668 5.138 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.791 -5.360 3.985 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.390 -7.543 5.480 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.773 -6.723 4.898 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.174 -2.907 3.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.932 -4.394 3.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.982 -1.432 2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.329 -2.170 2.975 1.00 0.00 H new ATOM 1462 N ILE A 91 0.445 -5.419 5.821 1.00 0.00 N ATOM 1463 CA ILE A 91 -0.986 -5.232 5.615 1.00 0.00 C ATOM 1464 C ILE A 91 -1.537 -4.151 6.537 1.00 0.00 C ATOM 1465 O ILE A 91 -1.925 -3.073 6.086 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.764 -6.540 5.851 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.407 -7.572 4.780 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.262 -6.270 5.857 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -2.080 -8.912 4.984 1.00 0.00 C ATOM 0 H ILE A 91 0.726 -6.388 5.972 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.118 -4.923 4.578 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.483 -6.943 6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.685 -7.180 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.326 -7.715 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.799 -7.203 6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.501 -5.565 6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.559 -5.848 4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.781 -9.594 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.782 -9.326 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.162 -8.783 4.964 1.00 0.00 H new ATOM 1481 N SER A 92 -1.568 -4.446 7.833 1.00 0.00 N ATOM 1482 CA SER A 92 -2.075 -3.499 8.820 1.00 0.00 C ATOM 1483 C SER A 92 -1.684 -2.071 8.454 1.00 0.00 C ATOM 1484 O SER A 92 -2.526 -1.172 8.431 1.00 0.00 O ATOM 1485 CB SER A 92 -1.539 -3.846 10.211 1.00 0.00 C ATOM 1486 OG SER A 92 -2.290 -3.198 11.223 1.00 0.00 O ATOM 0 H SER A 92 -1.248 -5.332 8.224 1.00 0.00 H new ATOM 0 HA SER A 92 -3.163 -3.568 8.829 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.577 -4.925 10.360 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.492 -3.551 10.285 1.00 0.00 H new ATOM 0 HG SER A 92 -1.929 -3.437 12.102 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.402 -1.869 8.168 1.00 0.00 N ATOM 1493 CA ILE A 93 0.100 -0.551 7.802 1.00 0.00 C ATOM 1494 C ILE A 93 -0.641 0.002 6.589 1.00 0.00 C ATOM 1495 O ILE A 93 -0.992 1.182 6.547 1.00 0.00 O ATOM 1496 CB ILE A 93 1.609 -0.589 7.494 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.396 -1.000 8.740 1.00 0.00 C ATOM 1498 CG2 ILE A 93 2.080 0.765 6.986 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.824 -1.403 8.447 1.00 0.00 C ATOM 0 H ILE A 93 0.308 -2.602 8.183 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.072 0.101 8.658 1.00 0.00 H new ATOM 0 HB ILE A 93 1.787 -1.330 6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.399 -0.171 9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.885 -1.831 9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.148 0.722 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.538 1.021 6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.892 1.524 7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.321 -1.682 9.376 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.829 -2.252 7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.352 -0.566 7.990 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.878 -0.858 5.605 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.580 -0.456 4.391 1.00 0.00 C ATOM 1513 C LEU A 94 -3.026 -0.080 4.697 1.00 0.00 C ATOM 1514 O LEU A 94 -3.430 1.070 4.522 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.542 -1.585 3.359 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.158 -1.965 2.830 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.216 -3.292 2.090 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.385 -0.870 1.924 1.00 0.00 C ATOM 0 H LEU A 94 -0.595 -1.838 5.624 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.075 0.419 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.995 -2.471 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.166 -1.298 2.513 1.00 0.00 H new ATOM 0 HG LEU A 94 0.517 -2.075 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.777 -3.546 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.562 -4.072 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.905 -3.210 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.370 -1.157 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.290 -0.728 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.464 0.061 2.486 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.801 -1.056 5.156 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.203 -0.828 5.490 1.00 0.00 C ATOM 1532 C LEU A 95 -5.362 0.425 6.345 1.00 0.00 C ATOM 1533 O LEU A 95 -6.189 1.287 6.053 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.776 -2.039 6.228 1.00 0.00 C ATOM 1535 CG LEU A 95 -6.178 -3.228 5.355 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.330 -4.483 6.200 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -7.468 -2.928 4.605 1.00 0.00 C ATOM 0 H LEU A 95 -3.483 -2.013 5.306 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.753 -0.684 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.038 -2.380 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.651 -1.715 6.792 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.388 -3.400 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.616 -5.319 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.383 -4.709 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.100 -4.322 6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.739 -3.786 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.266 -2.728 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.324 -2.055 3.969 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.561 0.519 7.402 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.612 1.668 8.299 1.00 0.00 C ATOM 1551 C ASN A 96 -4.363 2.966 7.536 1.00 0.00 C ATOM 1552 O ASN A 96 -4.932 4.007 7.861 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.579 1.515 9.417 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.975 2.260 10.677 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.935 1.891 11.353 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -3.234 3.315 10.997 1.00 0.00 N ATOM 0 H ASN A 96 -3.870 -0.186 7.658 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.609 1.711 8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.452 0.457 9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.614 1.883 9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.452 3.856 11.834 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.447 3.584 10.406 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.510 2.894 6.520 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.188 4.061 5.709 1.00 0.00 C ATOM 1565 C ALA A 97 -4.283 4.338 4.685 1.00 0.00 C ATOM 1566 O ALA A 97 -4.380 5.442 4.147 1.00 0.00 O ATOM 1567 CB ALA A 97 -1.849 3.867 5.013 1.00 0.00 C ATOM 0 H ALA A 97 -3.029 2.039 6.239 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.120 4.924 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.621 4.746 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.068 3.726 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.898 2.989 4.369 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.106 3.329 4.419 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.195 3.463 3.458 1.00 0.00 C ATOM 1575 C LEU A 98 -7.433 4.062 4.118 1.00 0.00 C ATOM 1576 O LEU A 98 -8.190 4.801 3.489 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.535 2.102 2.850 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.453 1.467 1.976 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -5.607 -0.045 1.949 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.504 2.036 0.566 1.00 0.00 C ATOM 0 H LEU A 98 -5.040 2.409 4.855 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.867 4.136 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.769 1.413 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.440 2.210 2.252 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.480 1.704 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.828 -0.479 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.518 -0.438 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.585 -0.304 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.727 1.573 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.480 1.831 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.342 3.113 0.602 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.633 3.739 5.392 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.776 4.247 6.140 1.00 0.00 C ATOM 1594 C LYS A 99 -8.647 5.748 6.380 1.00 0.00 C ATOM 1595 O LYS A 99 -9.647 6.458 6.481 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.902 3.515 7.478 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.125 4.172 8.606 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.264 3.395 9.905 1.00 0.00 C ATOM 1599 CE LYS A 99 -7.820 4.224 11.100 1.00 0.00 C ATOM 1600 NZ LYS A 99 -6.374 4.572 11.027 1.00 0.00 N ATOM 0 H LYS A 99 -7.017 3.127 5.928 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.674 4.068 5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.955 3.462 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.552 2.490 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.072 4.240 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.483 5.191 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.302 3.089 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.668 2.484 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.412 5.138 11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.014 3.670 12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.907 4.304 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.933 4.060 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.271 5.596 10.877 1.00 0.00 H new ATOM 1614 N SER A 100 -7.409 6.223 6.469 1.00 0.00 N ATOM 1615 CA SER A 100 -7.149 7.640 6.700 1.00 0.00 C ATOM 1616 C SER A 100 -7.653 8.481 5.531 1.00 0.00 C ATOM 1617 O SER A 100 -8.280 9.522 5.728 1.00 0.00 O ATOM 1618 CB SER A 100 -5.652 7.878 6.906 1.00 0.00 C ATOM 1619 OG SER A 100 -5.425 9.019 7.715 1.00 0.00 O ATOM 0 H SER A 100 -6.570 5.648 6.385 1.00 0.00 H new ATOM 0 HA SER A 100 -7.685 7.941 7.600 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.202 7.002 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.165 8.010 5.940 1.00 0.00 H new ATOM 0 HG SER A 100 -4.461 9.149 7.834 1.00 0.00 H new