USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 885 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 59 HIS : no HD1:sc= -5.94! C(o=-5.6!,f=-7!) USER MOD Set 1.2: A 92 HIS : no HD1:sc= 0.118 K(o=-5.6,f=-9.4!) USER MOD Set 1.3: A 100 SER OG : rot 169:sc= 0.27 USER MOD Set 2.1: A 60 TYR OH : rot 30:sc= -0.748 USER MOD Set 2.2: A 91 GLN : amide:sc= -0.0881 K(o=-0.84,f=-2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.37 K(o=-2.4,f=0.0094) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= -0.169 (180deg=-1.08) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0919 USER MOD Single : A 30 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.091) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 165:sc= -1.55 USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= -3.22 (180deg=-3.25!) USER MOD Single : A 46 THR OG1 : rot -93:sc= 0.337 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.025) USER MOD Single : A 53 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.042) USER MOD Single : A 55 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.011) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0419 USER MOD Single : A 64 ASN : amide:sc= -0.769 K(o=-0.77,f=-0.15) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 68 GLN : amide:sc= -0.0423 K(o=-0.042,f=-2!) USER MOD Single : A 71 SER OG : rot 88:sc= 0.377 USER MOD Single : A 78 THR OG1 : rot 75:sc= 0.0131 USER MOD Single : A 80 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.74) USER MOD Single : A 96 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.12) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -114:sc= -1.59 (180deg=-4.1!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -109:sc= -1.99 (180deg=-4.27!) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 104.191 -6.045 11.683 1.00 0.00 N ATOM 36 CA PRO A 3 103.612 -6.601 10.427 1.00 0.00 C ATOM 37 C PRO A 3 102.805 -7.877 10.686 1.00 0.00 C ATOM 38 O PRO A 3 103.337 -8.970 10.691 1.00 0.00 O ATOM 39 CB PRO A 3 104.838 -6.904 9.564 1.00 0.00 C ATOM 40 CG PRO A 3 105.962 -7.098 10.525 1.00 0.00 C ATOM 41 CD PRO A 3 105.650 -6.224 11.742 1.00 0.00 C ATOM 0 HA PRO A 3 102.914 -5.909 9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.681 -7.796 8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.046 -6.084 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 3 106.050 -8.146 10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 3 106.912 -6.810 10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.956 -6.707 12.670 1.00 0.00 H new ATOM 0 HD3 PRO A 3 106.172 -5.269 11.692 1.00 0.00 H new ATOM 49 N GLU A 4 101.527 -7.746 10.912 1.00 0.00 N ATOM 50 CA GLU A 4 100.688 -8.948 11.180 1.00 0.00 C ATOM 51 C GLU A 4 100.261 -9.595 9.859 1.00 0.00 C ATOM 52 O GLU A 4 99.982 -10.776 9.800 1.00 0.00 O ATOM 53 CB GLU A 4 99.444 -8.533 11.968 1.00 0.00 C ATOM 54 CG GLU A 4 99.785 -8.456 13.457 1.00 0.00 C ATOM 55 CD GLU A 4 99.717 -9.856 14.070 1.00 0.00 C ATOM 56 OE1 GLU A 4 98.812 -10.593 13.715 1.00 0.00 O ATOM 57 OE2 GLU A 4 100.572 -10.167 14.882 1.00 0.00 O ATOM 0 H GLU A 4 101.027 -6.857 10.923 1.00 0.00 H new ATOM 0 HA GLU A 4 101.268 -9.667 11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 4 99.083 -7.566 11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.641 -9.251 11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 4 100.782 -8.037 13.591 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.088 -7.790 13.966 1.00 0.00 H new ATOM 64 N PHE A 5 100.197 -8.834 8.799 1.00 0.00 N ATOM 65 CA PHE A 5 99.775 -9.419 7.494 1.00 0.00 C ATOM 66 C PHE A 5 100.611 -10.663 7.191 1.00 0.00 C ATOM 67 O PHE A 5 100.299 -11.427 6.301 1.00 0.00 O ATOM 68 CB PHE A 5 99.965 -8.393 6.373 1.00 0.00 C ATOM 69 CG PHE A 5 99.249 -8.884 5.137 1.00 0.00 C ATOM 70 CD1 PHE A 5 99.981 -9.374 4.049 1.00 0.00 C ATOM 71 CD2 PHE A 5 97.853 -8.864 5.085 1.00 0.00 C ATOM 72 CE1 PHE A 5 99.317 -9.843 2.912 1.00 0.00 C ATOM 73 CE2 PHE A 5 97.189 -9.329 3.949 1.00 0.00 C ATOM 74 CZ PHE A 5 97.920 -9.823 2.861 1.00 0.00 C ATOM 0 H PHE A 5 100.417 -7.838 8.780 1.00 0.00 H new ATOM 0 HA PHE A 5 98.722 -9.694 7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.570 -7.424 6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 5 101.026 -8.254 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 5 101.060 -9.390 4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.287 -8.488 5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 5 99.883 -10.221 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 5 96.110 -9.308 3.909 1.00 0.00 H new ATOM 0 HZ PHE A 5 97.405 -10.188 1.984 1.00 0.00 H new ATOM 84 N LEU A 6 101.666 -10.880 7.928 1.00 0.00 N ATOM 85 CA LEU A 6 102.507 -12.083 7.678 1.00 0.00 C ATOM 86 C LEU A 6 102.045 -13.214 8.597 1.00 0.00 C ATOM 87 O LEU A 6 102.147 -14.379 8.265 1.00 0.00 O ATOM 88 CB LEU A 6 103.981 -11.759 7.954 1.00 0.00 C ATOM 89 CG LEU A 6 104.216 -10.247 7.866 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.686 -9.943 8.170 1.00 0.00 C ATOM 91 CD2 LEU A 6 103.875 -9.748 6.459 1.00 0.00 C ATOM 0 H LEU A 6 101.980 -10.278 8.689 1.00 0.00 H new ATOM 0 HA LEU A 6 102.404 -12.389 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.261 -12.121 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 6 104.615 -12.276 7.234 1.00 0.00 H new ATOM 0 HG LEU A 6 103.578 -9.742 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 6 105.856 -8.868 8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 6 105.930 -10.292 9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.320 -10.453 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.044 -8.673 6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 6 104.509 -10.253 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 6 102.829 -9.962 6.241 1.00 0.00 H new ATOM 103 N LYS A 7 101.533 -12.878 9.749 1.00 0.00 N ATOM 104 CA LYS A 7 101.057 -13.929 10.688 1.00 0.00 C ATOM 105 C LYS A 7 99.599 -14.264 10.373 1.00 0.00 C ATOM 106 O LYS A 7 99.027 -15.180 10.931 1.00 0.00 O ATOM 107 CB LYS A 7 101.165 -13.414 12.126 1.00 0.00 C ATOM 108 CG LYS A 7 102.584 -13.645 12.647 1.00 0.00 C ATOM 109 CD LYS A 7 102.728 -13.021 14.037 1.00 0.00 C ATOM 110 CE LYS A 7 102.260 -14.018 15.099 1.00 0.00 C ATOM 111 NZ LYS A 7 103.394 -14.910 15.475 1.00 0.00 N ATOM 0 H LYS A 7 101.424 -11.919 10.080 1.00 0.00 H new ATOM 0 HA LYS A 7 101.669 -14.824 10.577 1.00 0.00 H new ATOM 0 HB2 LYS A 7 100.922 -12.352 12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 7 100.445 -13.928 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 7 102.796 -14.713 12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 7 103.310 -13.205 11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.767 -12.744 14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 7 102.139 -12.106 14.098 1.00 0.00 H new ATOM 0 HE2 LYS A 7 101.895 -13.486 15.977 1.00 0.00 H new ATOM 0 HE3 LYS A 7 101.429 -14.610 14.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 103.077 -15.588 16.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.722 -15.427 14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.174 -14.338 15.856 1.00 0.00 H new ATOM 125 N ALA A 8 98.993 -13.527 9.482 1.00 0.00 N ATOM 126 CA ALA A 8 97.570 -13.801 9.128 1.00 0.00 C ATOM 127 C ALA A 8 97.363 -15.309 8.967 1.00 0.00 C ATOM 128 O ALA A 8 98.304 -16.078 8.955 1.00 0.00 O ATOM 129 CB ALA A 8 97.232 -13.099 7.811 1.00 0.00 C ATOM 0 H ALA A 8 99.421 -12.747 8.984 1.00 0.00 H new ATOM 0 HA ALA A 8 96.920 -13.428 9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.193 -13.297 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.379 -12.025 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 8 97.883 -13.474 7.021 1.00 0.00 H new ATOM 135 N GLY A 9 96.137 -15.737 8.841 1.00 0.00 N ATOM 136 CA GLY A 9 95.866 -17.195 8.681 1.00 0.00 C ATOM 137 C GLY A 9 95.311 -17.758 9.990 1.00 0.00 C ATOM 138 O GLY A 9 96.005 -18.417 10.738 1.00 0.00 O ATOM 0 H GLY A 9 95.310 -15.140 8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 9 95.153 -17.357 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 9 96.782 -17.718 8.407 1.00 0.00 H new ATOM 142 N LYS A 10 94.060 -17.505 10.273 1.00 0.00 N ATOM 143 CA LYS A 10 93.460 -18.025 11.532 1.00 0.00 C ATOM 144 C LYS A 10 92.071 -18.598 11.243 1.00 0.00 C ATOM 145 O LYS A 10 91.403 -19.103 12.123 1.00 0.00 O ATOM 146 CB LYS A 10 93.341 -16.885 12.547 1.00 0.00 C ATOM 147 CG LYS A 10 94.731 -16.522 13.073 1.00 0.00 C ATOM 148 CD LYS A 10 94.728 -15.073 13.562 1.00 0.00 C ATOM 149 CE LYS A 10 95.990 -14.808 14.386 1.00 0.00 C ATOM 150 NZ LYS A 10 96.215 -13.339 14.492 1.00 0.00 N ATOM 0 H LYS A 10 93.429 -16.960 9.685 1.00 0.00 H new ATOM 0 HA LYS A 10 94.096 -18.811 11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 10 92.879 -16.015 12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 10 92.695 -17.185 13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 10 95.010 -17.191 13.887 1.00 0.00 H new ATOM 0 HG3 LYS A 10 95.474 -16.650 12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 10 94.686 -14.392 12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 10 93.841 -14.884 14.166 1.00 0.00 H new ATOM 0 HE2 LYS A 10 95.886 -15.243 15.380 1.00 0.00 H new ATOM 0 HE3 LYS A 10 96.850 -15.286 13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 97.073 -13.159 15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 96.332 -12.936 13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 95.398 -12.895 14.958 1.00 0.00 H new ATOM 164 N GLU A 11 91.630 -18.528 10.016 1.00 0.00 N ATOM 165 CA GLU A 11 90.285 -19.073 9.677 1.00 0.00 C ATOM 166 C GLU A 11 90.099 -19.061 8.156 1.00 0.00 C ATOM 167 O GLU A 11 90.639 -18.219 7.466 1.00 0.00 O ATOM 168 CB GLU A 11 89.203 -18.208 10.329 1.00 0.00 C ATOM 169 CG GLU A 11 89.652 -16.746 10.332 1.00 0.00 C ATOM 170 CD GLU A 11 88.434 -15.839 10.522 1.00 0.00 C ATOM 171 OE1 GLU A 11 87.731 -15.613 9.551 1.00 0.00 O ATOM 172 OE2 GLU A 11 88.225 -15.385 11.635 1.00 0.00 O ATOM 0 H GLU A 11 92.142 -18.118 9.235 1.00 0.00 H new ATOM 0 HA GLU A 11 90.204 -20.095 10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 11 88.264 -18.310 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 11 89.019 -18.545 11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 11 90.373 -16.577 11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 11 90.154 -16.507 9.395 1.00 0.00 H new ATOM 179 N PRO A 12 89.337 -19.990 7.636 1.00 0.00 N ATOM 180 CA PRO A 12 89.073 -20.090 6.172 1.00 0.00 C ATOM 181 C PRO A 12 88.103 -19.010 5.684 1.00 0.00 C ATOM 182 O PRO A 12 86.904 -19.207 5.657 1.00 0.00 O ATOM 183 CB PRO A 12 88.449 -21.476 6.013 1.00 0.00 C ATOM 184 CG PRO A 12 87.813 -21.775 7.329 1.00 0.00 C ATOM 185 CD PRO A 12 88.645 -21.051 8.390 1.00 0.00 C ATOM 0 HA PRO A 12 89.981 -19.949 5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 12 87.713 -21.486 5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.204 -22.221 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 12 86.779 -21.432 7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 12 87.796 -22.849 7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.015 -20.636 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 12 89.353 -21.726 8.871 1.00 0.00 H new ATOM 193 N GLY A 13 88.608 -17.871 5.294 1.00 0.00 N ATOM 194 CA GLY A 13 87.711 -16.789 4.808 1.00 0.00 C ATOM 195 C GLY A 13 88.549 -15.670 4.193 1.00 0.00 C ATOM 196 O GLY A 13 89.081 -15.803 3.107 1.00 0.00 O ATOM 0 H GLY A 13 89.603 -17.645 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.014 -17.184 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.114 -16.399 5.632 1.00 0.00 H new ATOM 200 N LEU A 14 88.674 -14.567 4.876 1.00 0.00 N ATOM 201 CA LEU A 14 89.477 -13.439 4.330 1.00 0.00 C ATOM 202 C LEU A 14 89.836 -12.469 5.458 1.00 0.00 C ATOM 203 O LEU A 14 89.099 -12.309 6.410 1.00 0.00 O ATOM 204 CB LEU A 14 88.660 -12.704 3.263 1.00 0.00 C ATOM 205 CG LEU A 14 89.525 -11.630 2.593 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.202 -11.569 1.098 1.00 0.00 C ATOM 207 CD2 LEU A 14 89.235 -10.266 3.227 1.00 0.00 C ATOM 0 H LEU A 14 88.254 -14.398 5.790 1.00 0.00 H new ATOM 0 HA LEU A 14 90.393 -13.828 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.300 -13.412 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 14 87.782 -12.245 3.717 1.00 0.00 H new ATOM 0 HG LEU A 14 90.577 -11.881 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 14 89.818 -10.805 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 14 89.409 -12.537 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 14 88.149 -11.322 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.851 -9.504 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.182 -10.018 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 14 89.465 -10.303 4.292 1.00 0.00 H new ATOM 219 N GLN A 15 90.963 -11.818 5.354 1.00 0.00 N ATOM 220 CA GLN A 15 91.371 -10.854 6.416 1.00 0.00 C ATOM 221 C GLN A 15 91.904 -9.578 5.763 1.00 0.00 C ATOM 222 O GLN A 15 92.701 -9.626 4.847 1.00 0.00 O ATOM 223 CB GLN A 15 92.465 -11.479 7.283 1.00 0.00 C ATOM 224 CG GLN A 15 91.885 -12.652 8.075 1.00 0.00 C ATOM 225 CD GLN A 15 92.870 -13.066 9.169 1.00 0.00 C ATOM 226 OE1 GLN A 15 92.503 -13.181 10.322 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.115 -13.295 8.855 1.00 0.00 N ATOM 0 H GLN A 15 91.619 -11.912 4.579 1.00 0.00 H new ATOM 0 HA GLN A 15 90.510 -10.613 7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.288 -11.822 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 15 92.873 -10.733 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 15 90.931 -12.368 8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 15 91.690 -13.493 7.409 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.423 -13.199 7.887 1.00 0.00 H new ATOM 0 HE22 GLN A 15 94.781 -13.571 9.577 1.00 0.00 H new ATOM 236 N ILE A 16 91.466 -8.437 6.221 1.00 0.00 N ATOM 237 CA ILE A 16 91.946 -7.159 5.621 1.00 0.00 C ATOM 238 C ILE A 16 92.984 -6.514 6.540 1.00 0.00 C ATOM 239 O ILE A 16 93.055 -6.805 7.718 1.00 0.00 O ATOM 240 CB ILE A 16 90.764 -6.206 5.439 1.00 0.00 C ATOM 241 CG1 ILE A 16 89.633 -6.930 4.706 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.207 -4.994 4.619 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.369 -6.070 4.736 1.00 0.00 C ATOM 0 H ILE A 16 90.797 -8.334 6.984 1.00 0.00 H new ATOM 0 HA ILE A 16 92.402 -7.365 4.652 1.00 0.00 H new ATOM 0 HB ILE A 16 90.412 -5.875 6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 16 89.924 -7.131 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 16 89.440 -7.894 5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.364 -4.315 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.013 -4.477 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.560 -5.325 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 16 87.564 -6.587 4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.074 -5.892 5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.566 -5.117 4.246 1.00 0.00 H new ATOM 255 N TRP A 17 93.789 -5.636 6.009 1.00 0.00 N ATOM 256 CA TRP A 17 94.825 -4.965 6.845 1.00 0.00 C ATOM 257 C TRP A 17 95.233 -3.650 6.175 1.00 0.00 C ATOM 258 O TRP A 17 94.993 -3.442 5.004 1.00 0.00 O ATOM 259 CB TRP A 17 96.048 -5.882 6.971 1.00 0.00 C ATOM 260 CG TRP A 17 96.105 -6.465 8.349 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.409 -5.774 9.472 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.861 -7.841 8.766 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.366 -6.637 10.552 1.00 0.00 N ATOM 264 CE2 TRP A 17 96.033 -7.921 10.168 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.511 -9.011 8.071 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.864 -9.123 10.857 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.341 -10.224 8.762 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.517 -10.279 10.151 1.00 0.00 C ATOM 0 H TRP A 17 93.774 -5.353 5.029 1.00 0.00 H new ATOM 0 HA TRP A 17 94.425 -4.760 7.838 1.00 0.00 H new ATOM 0 HB2 TRP A 17 95.993 -6.680 6.231 1.00 0.00 H new ATOM 0 HB3 TRP A 17 96.959 -5.319 6.766 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.646 -4.721 9.518 1.00 0.00 H new ATOM 0 HE1 TRP A 17 96.557 -6.359 11.515 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.372 -8.979 7.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 96.000 -9.160 11.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.073 -11.118 8.219 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.385 -11.214 10.676 1.00 0.00 H new ATOM 279 N ARG A 18 95.848 -2.764 6.910 1.00 0.00 N ATOM 280 CA ARG A 18 96.272 -1.464 6.314 1.00 0.00 C ATOM 281 C ARG A 18 97.748 -1.214 6.628 1.00 0.00 C ATOM 282 O ARG A 18 98.246 -1.605 7.665 1.00 0.00 O ATOM 283 CB ARG A 18 95.426 -0.334 6.904 1.00 0.00 C ATOM 284 CG ARG A 18 95.744 0.974 6.177 1.00 0.00 C ATOM 285 CD ARG A 18 95.058 2.139 6.893 1.00 0.00 C ATOM 286 NE ARG A 18 93.734 1.693 7.411 1.00 0.00 N ATOM 287 CZ ARG A 18 92.773 2.562 7.579 1.00 0.00 C ATOM 288 NH1 ARG A 18 91.613 2.171 8.032 1.00 0.00 N ATOM 289 NH2 ARG A 18 92.971 3.820 7.294 1.00 0.00 N ATOM 0 H ARG A 18 96.075 -2.884 7.897 1.00 0.00 H new ATOM 0 HA ARG A 18 96.133 -1.497 5.233 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.366 -0.569 6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.631 -0.230 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 18 96.822 1.134 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 18 95.404 0.919 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 18 95.681 2.493 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.929 2.976 6.207 1.00 0.00 H new ATOM 0 HE ARG A 18 93.578 0.710 7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 18 91.457 1.188 8.255 1.00 0.00 H new ATOM 0 HH12 ARG A 18 90.862 2.849 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.877 4.126 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 18 92.220 4.497 7.426 1.00 0.00 H new ATOM 303 N VAL A 19 98.451 -0.566 5.740 1.00 0.00 N ATOM 304 CA VAL A 19 99.894 -0.291 5.990 1.00 0.00 C ATOM 305 C VAL A 19 100.032 0.930 6.901 1.00 0.00 C ATOM 306 O VAL A 19 99.247 1.855 6.837 1.00 0.00 O ATOM 307 CB VAL A 19 100.598 -0.014 4.661 1.00 0.00 C ATOM 308 CG1 VAL A 19 100.110 1.320 4.094 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.110 0.055 4.893 1.00 0.00 C ATOM 0 H VAL A 19 98.089 -0.215 4.853 1.00 0.00 H new ATOM 0 HA VAL A 19 100.349 -1.157 6.471 1.00 0.00 H new ATOM 0 HB VAL A 19 100.372 -0.813 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 19 100.612 1.518 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.033 1.274 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 19 100.337 2.120 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 19 102.615 0.252 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.334 0.856 5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.459 -0.894 5.299 1.00 0.00 H new ATOM 319 N GLU A 20 101.025 0.940 7.747 1.00 0.00 N ATOM 320 CA GLU A 20 101.214 2.102 8.659 1.00 0.00 C ATOM 321 C GLU A 20 102.312 3.010 8.102 1.00 0.00 C ATOM 322 O GLU A 20 103.185 2.572 7.380 1.00 0.00 O ATOM 323 CB GLU A 20 101.624 1.601 10.046 1.00 0.00 C ATOM 324 CG GLU A 20 101.306 2.671 11.094 1.00 0.00 C ATOM 325 CD GLU A 20 101.483 2.083 12.494 1.00 0.00 C ATOM 326 OE1 GLU A 20 102.619 1.861 12.883 1.00 0.00 O ATOM 327 OE2 GLU A 20 100.481 1.863 13.155 1.00 0.00 O ATOM 0 H GLU A 20 101.713 0.194 7.846 1.00 0.00 H new ATOM 0 HA GLU A 20 100.281 2.661 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.094 0.678 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.689 1.369 10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.964 3.530 10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.285 3.029 10.965 1.00 0.00 H new ATOM 334 N LYS A 21 102.272 4.273 8.430 1.00 0.00 N ATOM 335 CA LYS A 21 103.312 5.210 7.920 1.00 0.00 C ATOM 336 C LYS A 21 104.679 4.525 7.957 1.00 0.00 C ATOM 337 O LYS A 21 105.589 4.893 7.241 1.00 0.00 O ATOM 338 CB LYS A 21 103.345 6.461 8.803 1.00 0.00 C ATOM 339 CG LYS A 21 104.194 7.542 8.130 1.00 0.00 C ATOM 340 CD LYS A 21 103.324 8.347 7.161 1.00 0.00 C ATOM 341 CE LYS A 21 104.133 9.521 6.606 1.00 0.00 C ATOM 342 NZ LYS A 21 104.632 10.357 7.735 1.00 0.00 N ATOM 0 H LYS A 21 101.563 4.696 9.029 1.00 0.00 H new ATOM 0 HA LYS A 21 103.076 5.493 6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.332 6.829 8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 21 103.758 6.217 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 21 104.624 8.202 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 21 105.026 7.085 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 21 102.982 7.709 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 21 102.434 8.714 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 21 104.971 9.152 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 21 103.513 10.122 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 104.797 11.328 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 103.925 10.368 8.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 105.523 9.959 8.095 1.00 0.00 H new ATOM 356 N PHE A 22 104.829 3.527 8.784 1.00 0.00 N ATOM 357 CA PHE A 22 106.136 2.817 8.866 1.00 0.00 C ATOM 358 C PHE A 22 105.930 1.445 9.512 1.00 0.00 C ATOM 359 O PHE A 22 106.779 0.951 10.225 1.00 0.00 O ATOM 360 CB PHE A 22 107.111 3.638 9.712 1.00 0.00 C ATOM 361 CG PHE A 22 108.495 3.040 9.608 1.00 0.00 C ATOM 362 CD1 PHE A 22 109.233 3.186 8.428 1.00 0.00 C ATOM 363 CD2 PHE A 22 109.038 2.341 10.692 1.00 0.00 C ATOM 364 CE1 PHE A 22 110.514 2.630 8.332 1.00 0.00 C ATOM 365 CE2 PHE A 22 110.319 1.786 10.596 1.00 0.00 C ATOM 366 CZ PHE A 22 111.058 1.931 9.415 1.00 0.00 C ATOM 0 H PHE A 22 104.103 3.173 9.406 1.00 0.00 H new ATOM 0 HA PHE A 22 106.544 2.690 7.863 1.00 0.00 H new ATOM 0 HB2 PHE A 22 107.124 4.673 9.370 1.00 0.00 H new ATOM 0 HB3 PHE A 22 106.786 3.650 10.752 1.00 0.00 H new ATOM 0 HD1 PHE A 22 108.815 3.727 7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 22 108.468 2.230 11.603 1.00 0.00 H new ATOM 0 HE1 PHE A 22 111.083 2.741 7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 22 110.738 1.246 11.432 1.00 0.00 H new ATOM 0 HZ PHE A 22 112.047 1.504 9.340 1.00 0.00 H new ATOM 376 N ASP A 23 104.805 0.828 9.269 1.00 0.00 N ATOM 377 CA ASP A 23 104.545 -0.510 9.870 1.00 0.00 C ATOM 378 C ASP A 23 103.237 -1.076 9.312 1.00 0.00 C ATOM 379 O ASP A 23 103.043 -1.152 8.115 1.00 0.00 O ATOM 380 CB ASP A 23 104.433 -0.372 11.391 1.00 0.00 C ATOM 381 CG ASP A 23 104.677 -1.733 12.045 1.00 0.00 C ATOM 382 OD1 ASP A 23 104.732 -1.781 13.263 1.00 0.00 O ATOM 383 OD2 ASP A 23 104.804 -2.704 11.317 1.00 0.00 O ATOM 0 H ASP A 23 104.056 1.193 8.681 1.00 0.00 H new ATOM 0 HA ASP A 23 105.366 -1.184 9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 23 105.159 0.354 11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.445 0.002 11.661 1.00 0.00 H new ATOM 388 N LEU A 24 102.338 -1.477 10.169 1.00 0.00 N ATOM 389 CA LEU A 24 101.046 -2.040 9.686 1.00 0.00 C ATOM 390 C LEU A 24 99.937 -1.710 10.687 1.00 0.00 C ATOM 391 O LEU A 24 100.160 -1.659 11.880 1.00 0.00 O ATOM 392 CB LEU A 24 101.170 -3.559 9.548 1.00 0.00 C ATOM 393 CG LEU A 24 100.063 -4.082 8.628 1.00 0.00 C ATOM 394 CD1 LEU A 24 100.542 -4.037 7.175 1.00 0.00 C ATOM 395 CD2 LEU A 24 99.726 -5.526 9.009 1.00 0.00 C ATOM 0 H LEU A 24 102.443 -1.439 11.183 1.00 0.00 H new ATOM 0 HA LEU A 24 100.802 -1.605 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 24 102.148 -3.819 9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 24 101.096 -4.031 10.528 1.00 0.00 H new ATOM 0 HG LEU A 24 99.175 -3.459 8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.754 -4.409 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.784 -3.010 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 24 101.430 -4.660 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 24 98.938 -5.900 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 24 100.614 -6.148 8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.385 -5.559 10.044 1.00 0.00 H new ATOM 407 N VAL A 25 98.740 -1.488 10.210 1.00 0.00 N ATOM 408 CA VAL A 25 97.614 -1.163 11.131 1.00 0.00 C ATOM 409 C VAL A 25 96.423 -2.077 10.815 1.00 0.00 C ATOM 410 O VAL A 25 96.061 -2.252 9.669 1.00 0.00 O ATOM 411 CB VAL A 25 97.199 0.296 10.930 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.461 0.796 12.171 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.446 1.152 10.700 1.00 0.00 C ATOM 0 H VAL A 25 98.495 -1.518 9.220 1.00 0.00 H new ATOM 0 HA VAL A 25 97.930 -1.314 12.163 1.00 0.00 H new ATOM 0 HB VAL A 25 96.541 0.369 10.064 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.167 1.835 12.025 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.572 0.187 12.336 1.00 0.00 H new ATOM 0 HG13 VAL A 25 97.117 0.723 13.038 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.152 2.192 10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 25 99.104 1.077 11.566 1.00 0.00 H new ATOM 0 HG23 VAL A 25 98.972 0.798 9.813 1.00 0.00 H new ATOM 423 N PRO A 26 95.817 -2.658 11.821 1.00 0.00 N ATOM 424 CA PRO A 26 94.649 -3.567 11.635 1.00 0.00 C ATOM 425 C PRO A 26 93.369 -2.799 11.288 1.00 0.00 C ATOM 426 O PRO A 26 93.108 -1.737 11.815 1.00 0.00 O ATOM 427 CB PRO A 26 94.504 -4.256 12.992 1.00 0.00 C ATOM 428 CG PRO A 26 95.089 -3.302 13.981 1.00 0.00 C ATOM 429 CD PRO A 26 96.175 -2.517 13.243 1.00 0.00 C ATOM 0 HA PRO A 26 94.804 -4.261 10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.458 -4.465 13.218 1.00 0.00 H new ATOM 0 HB3 PRO A 26 95.030 -5.210 13.007 1.00 0.00 H new ATOM 0 HG2 PRO A 26 94.324 -2.631 14.371 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.509 -3.837 14.833 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.188 -1.471 13.549 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.167 -2.921 13.446 1.00 0.00 H new ATOM 437 N VAL A 27 92.569 -3.330 10.402 1.00 0.00 N ATOM 438 CA VAL A 27 91.310 -2.632 10.023 1.00 0.00 C ATOM 439 C VAL A 27 90.134 -3.265 10.778 1.00 0.00 C ATOM 440 O VAL A 27 90.009 -4.473 10.837 1.00 0.00 O ATOM 441 CB VAL A 27 91.085 -2.779 8.516 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.856 -1.967 8.099 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.314 -2.258 7.766 1.00 0.00 C ATOM 0 H VAL A 27 92.734 -4.217 9.926 1.00 0.00 H new ATOM 0 HA VAL A 27 91.383 -1.575 10.280 1.00 0.00 H new ATOM 0 HB VAL A 27 90.925 -3.830 8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.697 -2.073 7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 27 88.979 -2.333 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.015 -0.916 8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.156 -2.362 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.471 -1.207 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.191 -2.834 8.061 1.00 0.00 H new ATOM 453 N PRO A 28 89.274 -2.460 11.353 1.00 0.00 N ATOM 454 CA PRO A 28 88.092 -2.960 12.114 1.00 0.00 C ATOM 455 C PRO A 28 87.008 -3.531 11.195 1.00 0.00 C ATOM 456 O PRO A 28 86.641 -2.931 10.203 1.00 0.00 O ATOM 457 CB PRO A 28 87.577 -1.720 12.845 1.00 0.00 C ATOM 458 CG PRO A 28 88.034 -0.559 12.027 1.00 0.00 C ATOM 459 CD PRO A 28 89.332 -0.988 11.340 1.00 0.00 C ATOM 0 HA PRO A 28 88.359 -3.778 12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.490 -1.737 12.930 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.975 -1.668 13.858 1.00 0.00 H new ATOM 0 HG2 PRO A 28 87.279 -0.284 11.290 1.00 0.00 H new ATOM 0 HG3 PRO A 28 88.200 0.316 12.656 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.392 -0.600 10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.207 -0.619 11.874 1.00 0.00 H new ATOM 467 N THR A 29 86.491 -4.685 11.518 1.00 0.00 N ATOM 468 CA THR A 29 85.431 -5.292 10.667 1.00 0.00 C ATOM 469 C THR A 29 84.154 -4.456 10.771 1.00 0.00 C ATOM 470 O THR A 29 84.083 -3.504 11.522 1.00 0.00 O ATOM 471 CB THR A 29 85.151 -6.720 11.146 1.00 0.00 C ATOM 472 OG1 THR A 29 85.405 -6.807 12.541 1.00 0.00 O ATOM 473 CG2 THR A 29 86.057 -7.699 10.399 1.00 0.00 C ATOM 0 H THR A 29 86.758 -5.233 12.336 1.00 0.00 H new ATOM 0 HA THR A 29 85.764 -5.316 9.629 1.00 0.00 H new ATOM 0 HB THR A 29 84.109 -6.972 10.949 1.00 0.00 H new ATOM 0 HG1 THR A 29 85.225 -7.719 12.850 1.00 0.00 H new ATOM 0 HG21 THR A 29 85.856 -8.714 10.741 1.00 0.00 H new ATOM 0 HG22 THR A 29 85.861 -7.632 9.329 1.00 0.00 H new ATOM 0 HG23 THR A 29 87.100 -7.450 10.594 1.00 0.00 H new ATOM 481 N ASN A 30 83.144 -4.804 10.022 1.00 0.00 N ATOM 482 CA ASN A 30 81.872 -4.030 10.077 1.00 0.00 C ATOM 483 C ASN A 30 82.088 -2.652 9.449 1.00 0.00 C ATOM 484 O ASN A 30 81.238 -2.135 8.750 1.00 0.00 O ATOM 485 CB ASN A 30 81.434 -3.865 11.535 1.00 0.00 C ATOM 486 CG ASN A 30 79.912 -3.719 11.599 1.00 0.00 C ATOM 487 OD1 ASN A 30 79.404 -2.821 12.240 1.00 0.00 O ATOM 488 ND2 ASN A 30 79.159 -4.570 10.956 1.00 0.00 N ATOM 0 H ASN A 30 83.145 -5.592 9.374 1.00 0.00 H new ATOM 0 HA ASN A 30 81.098 -4.564 9.526 1.00 0.00 H new ATOM 0 HB2 ASN A 30 81.752 -4.727 12.121 1.00 0.00 H new ATOM 0 HB3 ASN A 30 81.912 -2.989 11.972 1.00 0.00 H new ATOM 0 HD21 ASN A 30 78.144 -4.481 10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 30 79.586 -5.324 10.418 1.00 0.00 H new ATOM 495 N LEU A 31 83.221 -2.055 9.690 1.00 0.00 N ATOM 496 CA LEU A 31 83.496 -0.713 9.110 1.00 0.00 C ATOM 497 C LEU A 31 84.318 -0.871 7.831 1.00 0.00 C ATOM 498 O LEU A 31 84.192 -0.101 6.899 1.00 0.00 O ATOM 499 CB LEU A 31 84.278 0.131 10.118 1.00 0.00 C ATOM 500 CG LEU A 31 83.594 0.056 11.485 1.00 0.00 C ATOM 501 CD1 LEU A 31 84.439 0.804 12.519 1.00 0.00 C ATOM 502 CD2 LEU A 31 82.209 0.701 11.396 1.00 0.00 C ATOM 0 H LEU A 31 83.970 -2.440 10.265 1.00 0.00 H new ATOM 0 HA LEU A 31 82.553 -0.218 8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 31 85.304 -0.230 10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 31 84.328 1.166 9.781 1.00 0.00 H new ATOM 0 HG LEU A 31 83.492 -0.987 11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 31 83.953 0.751 13.493 1.00 0.00 H new ATOM 0 HD12 LEU A 31 85.427 0.347 12.581 1.00 0.00 H new ATOM 0 HD13 LEU A 31 84.540 1.847 12.220 1.00 0.00 H new ATOM 0 HD21 LEU A 31 81.720 0.649 12.369 1.00 0.00 H new ATOM 0 HD22 LEU A 31 82.312 1.744 11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 81.607 0.170 10.658 1.00 0.00 H new ATOM 514 N TYR A 32 85.163 -1.864 7.779 1.00 0.00 N ATOM 515 CA TYR A 32 85.995 -2.073 6.560 1.00 0.00 C ATOM 516 C TYR A 32 85.141 -1.845 5.311 1.00 0.00 C ATOM 517 O TYR A 32 83.927 -1.889 5.362 1.00 0.00 O ATOM 518 CB TYR A 32 86.539 -3.503 6.553 1.00 0.00 C ATOM 519 CG TYR A 32 85.435 -4.466 6.185 1.00 0.00 C ATOM 520 CD1 TYR A 32 85.418 -5.063 4.918 1.00 0.00 C ATOM 521 CD2 TYR A 32 84.426 -4.761 7.110 1.00 0.00 C ATOM 522 CE1 TYR A 32 84.394 -5.953 4.577 1.00 0.00 C ATOM 523 CE2 TYR A 32 83.401 -5.652 6.769 1.00 0.00 C ATOM 524 CZ TYR A 32 83.387 -6.250 5.502 1.00 0.00 C ATOM 525 OH TYR A 32 82.376 -7.128 5.165 1.00 0.00 O ATOM 0 H TYR A 32 85.313 -2.540 8.528 1.00 0.00 H new ATOM 0 HA TYR A 32 86.826 -1.368 6.563 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.360 -3.587 5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 32 86.942 -3.754 7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.196 -4.836 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 32 84.438 -4.301 8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.381 -6.411 3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 32 82.622 -5.878 7.482 1.00 0.00 H new ATOM 0 HH TYR A 32 81.760 -7.224 5.921 1.00 0.00 H new ATOM 535 N GLY A 33 85.764 -1.603 4.189 1.00 0.00 N ATOM 536 CA GLY A 33 84.990 -1.372 2.936 1.00 0.00 C ATOM 537 C GLY A 33 85.466 -0.080 2.270 1.00 0.00 C ATOM 538 O GLY A 33 85.244 0.143 1.096 1.00 0.00 O ATOM 0 H GLY A 33 86.778 -1.555 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.121 -2.213 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 33 83.925 -1.306 3.161 1.00 0.00 H new ATOM 542 N ASP A 34 86.118 0.774 3.010 1.00 0.00 N ATOM 543 CA ASP A 34 86.607 2.051 2.420 1.00 0.00 C ATOM 544 C ASP A 34 88.084 1.912 2.048 1.00 0.00 C ATOM 545 O ASP A 34 88.913 1.583 2.871 1.00 0.00 O ATOM 546 CB ASP A 34 86.442 3.180 3.441 1.00 0.00 C ATOM 547 CG ASP A 34 86.936 2.707 4.809 1.00 0.00 C ATOM 548 OD1 ASP A 34 86.191 2.008 5.476 1.00 0.00 O ATOM 549 OD2 ASP A 34 88.050 3.050 5.165 1.00 0.00 O ATOM 0 H ASP A 34 86.333 0.642 3.998 1.00 0.00 H new ATOM 0 HA ASP A 34 86.029 2.281 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 34 87.005 4.058 3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 34 85.395 3.478 3.504 1.00 0.00 H new ATOM 554 N PHE A 35 88.419 2.166 0.812 1.00 0.00 N ATOM 555 CA PHE A 35 89.843 2.051 0.385 1.00 0.00 C ATOM 556 C PHE A 35 90.436 3.451 0.217 1.00 0.00 C ATOM 557 O PHE A 35 89.853 4.311 -0.412 1.00 0.00 O ATOM 558 CB PHE A 35 89.917 1.305 -0.949 1.00 0.00 C ATOM 559 CG PHE A 35 89.820 -0.182 -0.702 1.00 0.00 C ATOM 560 CD1 PHE A 35 88.652 -0.725 -0.151 1.00 0.00 C ATOM 561 CD2 PHE A 35 90.895 -1.018 -1.024 1.00 0.00 C ATOM 562 CE1 PHE A 35 88.561 -2.104 0.077 1.00 0.00 C ATOM 563 CE2 PHE A 35 90.805 -2.396 -0.794 1.00 0.00 C ATOM 564 CZ PHE A 35 89.637 -2.939 -0.244 1.00 0.00 C ATOM 0 H PHE A 35 87.768 2.448 0.079 1.00 0.00 H new ATOM 0 HA PHE A 35 90.407 1.503 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.108 1.629 -1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 35 90.852 1.540 -1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 35 87.822 -0.080 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 35 91.795 -0.600 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 35 87.660 -2.523 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 35 91.636 -3.040 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.567 -4.002 -0.068 1.00 0.00 H new ATOM 574 N PHE A 36 91.590 3.689 0.779 1.00 0.00 N ATOM 575 CA PHE A 36 92.216 5.035 0.652 1.00 0.00 C ATOM 576 C PHE A 36 93.227 5.024 -0.496 1.00 0.00 C ATOM 577 O PHE A 36 94.013 4.107 -0.636 1.00 0.00 O ATOM 578 CB PHE A 36 92.931 5.390 1.958 1.00 0.00 C ATOM 579 CG PHE A 36 91.939 5.981 2.931 1.00 0.00 C ATOM 580 CD1 PHE A 36 91.163 5.140 3.737 1.00 0.00 C ATOM 581 CD2 PHE A 36 91.795 7.371 3.026 1.00 0.00 C ATOM 582 CE1 PHE A 36 90.243 5.688 4.639 1.00 0.00 C ATOM 583 CE2 PHE A 36 90.875 7.918 3.930 1.00 0.00 C ATOM 584 CZ PHE A 36 90.099 7.077 4.735 1.00 0.00 C ATOM 0 H PHE A 36 92.125 3.010 1.320 1.00 0.00 H new ATOM 0 HA PHE A 36 91.443 5.776 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.391 4.500 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.734 6.101 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 36 91.274 4.068 3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 36 92.392 8.020 2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 36 89.644 5.039 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 36 90.765 8.990 4.006 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.389 7.500 5.430 1.00 0.00 H new ATOM 594 N THR A 37 93.217 6.038 -1.317 1.00 0.00 N ATOM 595 CA THR A 37 94.179 6.088 -2.453 1.00 0.00 C ATOM 596 C THR A 37 95.514 6.649 -1.963 1.00 0.00 C ATOM 597 O THR A 37 96.533 6.514 -2.612 1.00 0.00 O ATOM 598 CB THR A 37 93.618 6.989 -3.556 1.00 0.00 C ATOM 599 OG1 THR A 37 93.370 8.283 -3.027 1.00 0.00 O ATOM 600 CG2 THR A 37 92.314 6.395 -4.089 1.00 0.00 C ATOM 0 H THR A 37 92.583 6.835 -1.250 1.00 0.00 H new ATOM 0 HA THR A 37 94.331 5.083 -2.848 1.00 0.00 H new ATOM 0 HB THR A 37 94.340 7.061 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.012 8.862 -3.732 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.916 7.038 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.506 5.402 -4.495 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.589 6.321 -3.278 1.00 0.00 H new ATOM 608 N GLY A 38 95.518 7.279 -0.821 1.00 0.00 N ATOM 609 CA GLY A 38 96.788 7.849 -0.287 1.00 0.00 C ATOM 610 C GLY A 38 97.428 6.849 0.678 1.00 0.00 C ATOM 611 O GLY A 38 98.108 7.222 1.614 1.00 0.00 O ATOM 0 H GLY A 38 94.697 7.424 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.473 8.070 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.590 8.790 0.226 1.00 0.00 H new ATOM 615 N ASP A 39 97.216 5.581 0.458 1.00 0.00 N ATOM 616 CA ASP A 39 97.810 4.556 1.362 1.00 0.00 C ATOM 617 C ASP A 39 97.734 3.182 0.696 1.00 0.00 C ATOM 618 O ASP A 39 97.113 3.017 -0.336 1.00 0.00 O ATOM 619 CB ASP A 39 97.033 4.528 2.681 1.00 0.00 C ATOM 620 CG ASP A 39 97.888 3.867 3.764 1.00 0.00 C ATOM 621 OD1 ASP A 39 99.036 3.566 3.482 1.00 0.00 O ATOM 622 OD2 ASP A 39 97.380 3.673 4.856 1.00 0.00 O ATOM 0 H ASP A 39 96.656 5.210 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 39 98.852 4.806 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.768 5.542 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 39 96.100 3.979 2.554 1.00 0.00 H new ATOM 627 N ALA A 40 98.359 2.194 1.277 1.00 0.00 N ATOM 628 CA ALA A 40 98.325 0.830 0.678 1.00 0.00 C ATOM 629 C ALA A 40 97.505 -0.100 1.577 1.00 0.00 C ATOM 630 O ALA A 40 97.514 0.022 2.785 1.00 0.00 O ATOM 631 CB ALA A 40 99.752 0.292 0.556 1.00 0.00 C ATOM 0 H ALA A 40 98.893 2.273 2.143 1.00 0.00 H new ATOM 0 HA ALA A 40 97.868 0.877 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.728 -0.706 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.337 0.955 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.208 0.243 1.545 1.00 0.00 H new ATOM 637 N TYR A 41 96.796 -1.031 0.994 1.00 0.00 N ATOM 638 CA TYR A 41 95.976 -1.972 1.812 1.00 0.00 C ATOM 639 C TYR A 41 96.401 -3.411 1.511 1.00 0.00 C ATOM 640 O TYR A 41 96.579 -3.789 0.370 1.00 0.00 O ATOM 641 CB TYR A 41 94.495 -1.791 1.464 1.00 0.00 C ATOM 642 CG TYR A 41 93.875 -0.777 2.398 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.328 0.548 2.395 1.00 0.00 C ATOM 644 CD2 TYR A 41 92.847 -1.164 3.266 1.00 0.00 C ATOM 645 CE1 TYR A 41 93.752 1.486 3.260 1.00 0.00 C ATOM 646 CE2 TYR A 41 92.272 -0.225 4.131 1.00 0.00 C ATOM 647 CZ TYR A 41 92.724 1.099 4.128 1.00 0.00 C ATOM 648 OH TYR A 41 92.158 2.024 4.980 1.00 0.00 O ATOM 0 H TYR A 41 96.750 -1.180 -0.014 1.00 0.00 H new ATOM 0 HA TYR A 41 96.128 -1.763 2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.392 -1.460 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 41 93.972 -2.744 1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 41 95.121 0.846 1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 41 92.498 -2.186 3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 41 94.101 2.508 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 41 91.479 -0.523 4.801 1.00 0.00 H new ATOM 0 HH TYR A 41 91.316 1.669 5.335 1.00 0.00 H new ATOM 658 N VAL A 42 96.567 -4.215 2.526 1.00 0.00 N ATOM 659 CA VAL A 42 96.981 -5.625 2.306 1.00 0.00 C ATOM 660 C VAL A 42 95.795 -6.547 2.610 1.00 0.00 C ATOM 661 O VAL A 42 95.013 -6.288 3.502 1.00 0.00 O ATOM 662 CB VAL A 42 98.136 -5.949 3.250 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.209 -6.739 2.498 1.00 0.00 C ATOM 664 CG2 VAL A 42 98.749 -4.649 3.777 1.00 0.00 C ATOM 0 H VAL A 42 96.432 -3.952 3.502 1.00 0.00 H new ATOM 0 HA VAL A 42 97.298 -5.770 1.273 1.00 0.00 H new ATOM 0 HB VAL A 42 97.760 -6.542 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.032 -6.969 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 42 98.780 -7.667 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.580 -6.145 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 42 99.573 -4.882 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.120 -4.057 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 42 97.990 -4.081 4.315 1.00 0.00 H new ATOM 674 N ILE A 43 95.649 -7.619 1.875 1.00 0.00 N ATOM 675 CA ILE A 43 94.502 -8.541 2.132 1.00 0.00 C ATOM 676 C ILE A 43 94.938 -9.988 1.891 1.00 0.00 C ATOM 677 O ILE A 43 95.431 -10.328 0.834 1.00 0.00 O ATOM 678 CB ILE A 43 93.339 -8.196 1.194 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.534 -6.790 0.617 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.024 -8.242 1.972 1.00 0.00 C ATOM 681 CD1 ILE A 43 94.789 -6.764 -0.256 1.00 0.00 C ATOM 0 H ILE A 43 96.269 -7.895 1.113 1.00 0.00 H new ATOM 0 HA ILE A 43 94.179 -8.427 3.167 1.00 0.00 H new ATOM 0 HB ILE A 43 93.311 -8.921 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 43 92.663 -6.504 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 43 93.625 -6.064 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.198 -7.997 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 43 91.877 -9.242 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.058 -7.520 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 43 94.926 -5.763 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 43 95.657 -7.032 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.679 -7.478 -1.072 1.00 0.00 H new ATOM 693 N LEU A 44 94.760 -10.844 2.864 1.00 0.00 N ATOM 694 CA LEU A 44 95.166 -12.270 2.691 1.00 0.00 C ATOM 695 C LEU A 44 93.923 -13.158 2.687 1.00 0.00 C ATOM 696 O LEU A 44 93.132 -13.144 3.611 1.00 0.00 O ATOM 697 CB LEU A 44 96.092 -12.689 3.835 1.00 0.00 C ATOM 698 CG LEU A 44 96.546 -14.141 3.621 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.024 -14.286 3.997 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.707 -15.078 4.494 1.00 0.00 C ATOM 0 H LEU A 44 94.351 -10.617 3.770 1.00 0.00 H new ATOM 0 HA LEU A 44 95.695 -12.380 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 44 96.958 -12.028 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.574 -12.596 4.789 1.00 0.00 H new ATOM 0 HG LEU A 44 96.413 -14.403 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.339 -15.318 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.625 -13.626 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.161 -14.017 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.032 -16.107 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.835 -14.810 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.656 -14.985 4.222 1.00 0.00 H new ATOM 712 N LYS A 45 93.745 -13.934 1.654 1.00 0.00 N ATOM 713 CA LYS A 45 92.552 -14.828 1.588 1.00 0.00 C ATOM 714 C LYS A 45 92.942 -16.235 2.044 1.00 0.00 C ATOM 715 O LYS A 45 94.043 -16.691 1.812 1.00 0.00 O ATOM 716 CB LYS A 45 92.034 -14.882 0.149 1.00 0.00 C ATOM 717 CG LYS A 45 90.854 -15.851 0.068 1.00 0.00 C ATOM 718 CD LYS A 45 90.128 -15.664 -1.266 1.00 0.00 C ATOM 719 CE LYS A 45 89.445 -16.973 -1.665 1.00 0.00 C ATOM 720 NZ LYS A 45 90.478 -17.968 -2.067 1.00 0.00 N ATOM 0 H LYS A 45 94.373 -13.989 0.852 1.00 0.00 H new ATOM 0 HA LYS A 45 91.770 -14.439 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.725 -13.888 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.829 -15.204 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 45 91.207 -16.878 0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.167 -15.674 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.389 -14.867 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 45 90.836 -15.361 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 45 88.858 -17.358 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 45 88.753 -16.798 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 90.014 -18.853 -2.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 91.031 -17.592 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 91.111 -18.155 -1.264 1.00 0.00 H new ATOM 734 N THR A 46 92.043 -16.928 2.691 1.00 0.00 N ATOM 735 CA THR A 46 92.360 -18.308 3.161 1.00 0.00 C ATOM 736 C THR A 46 91.118 -19.188 3.017 1.00 0.00 C ATOM 737 O THR A 46 90.047 -18.839 3.472 1.00 0.00 O ATOM 738 CB THR A 46 92.786 -18.259 4.630 1.00 0.00 C ATOM 739 OG1 THR A 46 93.917 -17.409 4.765 1.00 0.00 O ATOM 740 CG2 THR A 46 93.144 -19.666 5.109 1.00 0.00 C ATOM 0 H THR A 46 91.104 -16.598 2.914 1.00 0.00 H new ATOM 0 HA THR A 46 93.171 -18.723 2.562 1.00 0.00 H new ATOM 0 HB THR A 46 91.965 -17.872 5.233 1.00 0.00 H new ATOM 0 HG1 THR A 46 94.737 -17.943 4.707 1.00 0.00 H new ATOM 0 HG21 THR A 46 93.447 -19.628 6.155 1.00 0.00 H new ATOM 0 HG22 THR A 46 92.276 -20.317 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 46 93.965 -20.057 4.508 1.00 0.00 H new ATOM 748 N VAL A 47 91.242 -20.326 2.383 1.00 0.00 N ATOM 749 CA VAL A 47 90.064 -21.213 2.209 1.00 0.00 C ATOM 750 C VAL A 47 90.438 -22.640 2.598 1.00 0.00 C ATOM 751 O VAL A 47 91.591 -22.964 2.766 1.00 0.00 O ATOM 752 CB VAL A 47 89.636 -21.201 0.748 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.115 -21.351 0.654 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.060 -19.881 0.100 1.00 0.00 C ATOM 0 H VAL A 47 92.111 -20.675 1.980 1.00 0.00 H new ATOM 0 HA VAL A 47 89.250 -20.858 2.841 1.00 0.00 H new ATOM 0 HB VAL A 47 90.113 -22.031 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.813 -21.342 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.813 -22.294 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.635 -20.524 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.753 -19.874 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.586 -19.050 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.143 -19.777 0.161 1.00 0.00 H new ATOM 764 N GLN A 48 89.463 -23.491 2.723 1.00 0.00 N ATOM 765 CA GLN A 48 89.739 -24.908 3.088 1.00 0.00 C ATOM 766 C GLN A 48 89.709 -25.770 1.823 1.00 0.00 C ATOM 767 O GLN A 48 88.659 -26.161 1.352 1.00 0.00 O ATOM 768 CB GLN A 48 88.668 -25.402 4.063 1.00 0.00 C ATOM 769 CG GLN A 48 89.216 -26.582 4.869 1.00 0.00 C ATOM 770 CD GLN A 48 88.180 -27.015 5.907 1.00 0.00 C ATOM 771 OE1 GLN A 48 88.105 -26.450 6.980 1.00 0.00 O ATOM 772 NE2 GLN A 48 87.371 -28.001 5.631 1.00 0.00 N ATOM 0 H GLN A 48 88.478 -23.266 2.587 1.00 0.00 H new ATOM 0 HA GLN A 48 90.720 -24.979 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 48 88.372 -24.596 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 48 87.775 -25.705 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 48 89.450 -27.413 4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.145 -26.298 5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 48 87.434 -28.475 4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 48 86.676 -28.297 6.316 1.00 0.00 H new ATOM 781 N LEU A 49 90.853 -26.067 1.270 1.00 0.00 N ATOM 782 CA LEU A 49 90.889 -26.902 0.036 1.00 0.00 C ATOM 783 C LEU A 49 90.272 -28.271 0.325 1.00 0.00 C ATOM 784 O LEU A 49 90.030 -28.627 1.462 1.00 0.00 O ATOM 785 CB LEU A 49 92.341 -27.081 -0.414 1.00 0.00 C ATOM 786 CG LEU A 49 92.798 -25.836 -1.175 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.313 -25.680 -1.039 1.00 0.00 C ATOM 788 CD2 LEU A 49 92.432 -25.980 -2.655 1.00 0.00 C ATOM 0 H LEU A 49 91.764 -25.768 1.619 1.00 0.00 H new ATOM 0 HA LEU A 49 90.321 -26.409 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 49 92.983 -27.247 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 49 92.429 -27.962 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 49 92.304 -24.957 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.638 -24.792 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.575 -25.577 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.808 -26.559 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.757 -25.093 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.926 -26.860 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 49 91.352 -26.090 -2.754 1.00 0.00 H new ATOM 800 N ARG A 50 90.017 -29.042 -0.694 1.00 0.00 N ATOM 801 CA ARG A 50 89.417 -30.390 -0.479 1.00 0.00 C ATOM 802 C ARG A 50 90.202 -31.128 0.606 1.00 0.00 C ATOM 803 O ARG A 50 89.777 -31.221 1.740 1.00 0.00 O ATOM 804 CB ARG A 50 89.472 -31.190 -1.781 1.00 0.00 C ATOM 805 CG ARG A 50 88.547 -32.403 -1.675 1.00 0.00 C ATOM 806 CD ARG A 50 88.665 -33.247 -2.945 1.00 0.00 C ATOM 807 NE ARG A 50 88.297 -32.418 -4.128 1.00 0.00 N ATOM 808 CZ ARG A 50 88.544 -32.854 -5.333 1.00 0.00 C ATOM 809 NH1 ARG A 50 88.222 -32.129 -6.368 1.00 0.00 N ATOM 810 NH2 ARG A 50 89.115 -34.016 -5.501 1.00 0.00 N ATOM 0 H ARG A 50 90.198 -28.798 -1.668 1.00 0.00 H new ATOM 0 HA ARG A 50 88.379 -30.279 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 50 89.170 -30.562 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 50 90.494 -31.515 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 50 88.812 -33.000 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 50 87.516 -32.077 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 50 89.683 -33.622 -3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 50 88.011 -34.116 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 50 87.852 -31.510 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 50 87.777 -31.221 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 50 88.415 -32.470 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 50 89.368 -34.582 -4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 50 89.309 -34.358 -6.442 1.00 0.00 H new ATOM 824 N ASN A 51 91.349 -31.651 0.268 1.00 0.00 N ATOM 825 CA ASN A 51 92.162 -32.381 1.282 1.00 0.00 C ATOM 826 C ASN A 51 92.148 -31.599 2.596 1.00 0.00 C ATOM 827 O ASN A 51 92.276 -32.161 3.667 1.00 0.00 O ATOM 828 CB ASN A 51 93.601 -32.518 0.782 1.00 0.00 C ATOM 829 CG ASN A 51 93.701 -33.717 -0.164 1.00 0.00 C ATOM 830 OD1 ASN A 51 94.781 -34.200 -0.440 1.00 0.00 O ATOM 831 ND2 ASN A 51 92.612 -34.222 -0.674 1.00 0.00 N ATOM 0 H ASN A 51 91.758 -31.605 -0.665 1.00 0.00 H new ATOM 0 HA ASN A 51 91.741 -33.374 1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.906 -31.608 0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 51 94.279 -32.649 1.625 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.667 -35.022 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 51 91.705 -33.817 -0.443 1.00 0.00 H new ATOM 838 N GLY A 52 91.989 -30.306 2.525 1.00 0.00 N ATOM 839 CA GLY A 52 91.962 -29.487 3.769 1.00 0.00 C ATOM 840 C GLY A 52 93.351 -28.908 4.037 1.00 0.00 C ATOM 841 O GLY A 52 93.835 -28.919 5.153 1.00 0.00 O ATOM 0 H GLY A 52 91.876 -29.781 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 52 91.235 -28.681 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 52 91.644 -30.100 4.612 1.00 0.00 H new ATOM 845 N ASN A 53 94.002 -28.397 3.027 1.00 0.00 N ATOM 846 CA ASN A 53 95.359 -27.818 3.233 1.00 0.00 C ATOM 847 C ASN A 53 95.238 -26.314 3.441 1.00 0.00 C ATOM 848 O ASN A 53 96.203 -25.579 3.381 1.00 0.00 O ATOM 849 CB ASN A 53 96.232 -28.105 2.012 1.00 0.00 C ATOM 850 CG ASN A 53 97.702 -28.164 2.435 1.00 0.00 C ATOM 851 OD1 ASN A 53 98.473 -27.280 2.120 1.00 0.00 O ATOM 852 ND2 ASN A 53 98.124 -29.177 3.140 1.00 0.00 N ATOM 0 H ASN A 53 93.653 -28.356 2.070 1.00 0.00 H new ATOM 0 HA ASN A 53 95.819 -28.269 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 53 95.936 -29.049 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 53 96.090 -27.329 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 53 99.102 -29.227 3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 53 97.476 -29.919 3.405 1.00 0.00 H new ATOM 859 N LEU A 54 94.050 -25.861 3.686 1.00 0.00 N ATOM 860 CA LEU A 54 93.819 -24.412 3.904 1.00 0.00 C ATOM 861 C LEU A 54 94.601 -23.613 2.866 1.00 0.00 C ATOM 862 O LEU A 54 95.779 -23.355 3.015 1.00 0.00 O ATOM 863 CB LEU A 54 94.264 -24.022 5.316 1.00 0.00 C ATOM 864 CG LEU A 54 93.071 -24.135 6.272 1.00 0.00 C ATOM 865 CD1 LEU A 54 93.523 -23.807 7.695 1.00 0.00 C ATOM 866 CD2 LEU A 54 91.970 -23.152 5.846 1.00 0.00 C ATOM 0 H LEU A 54 93.213 -26.441 3.746 1.00 0.00 H new ATOM 0 HA LEU A 54 92.757 -24.192 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.073 -24.673 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 54 94.652 -23.003 5.319 1.00 0.00 H new ATOM 0 HG LEU A 54 92.680 -25.152 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.674 -23.888 8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.300 -24.508 8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.918 -22.791 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.124 -23.236 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 54 92.360 -22.134 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 54 91.644 -23.388 4.833 1.00 0.00 H new ATOM 878 N GLN A 55 93.946 -23.218 1.812 1.00 0.00 N ATOM 879 CA GLN A 55 94.641 -22.432 0.753 1.00 0.00 C ATOM 880 C GLN A 55 94.989 -21.049 1.302 1.00 0.00 C ATOM 881 O GLN A 55 94.318 -20.535 2.171 1.00 0.00 O ATOM 882 CB GLN A 55 93.720 -22.286 -0.461 1.00 0.00 C ATOM 883 CG GLN A 55 94.224 -21.146 -1.352 1.00 0.00 C ATOM 884 CD GLN A 55 93.752 -21.372 -2.789 1.00 0.00 C ATOM 885 OE1 GLN A 55 94.376 -22.097 -3.539 1.00 0.00 O ATOM 886 NE2 GLN A 55 92.667 -20.779 -3.208 1.00 0.00 N ATOM 0 H GLN A 55 92.959 -23.405 1.636 1.00 0.00 H new ATOM 0 HA GLN A 55 95.554 -22.946 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.694 -23.218 -1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.700 -22.083 -0.135 1.00 0.00 H new ATOM 0 HG2 GLN A 55 93.852 -20.190 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 55 95.312 -21.099 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 55 92.143 -20.171 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 55 92.343 -20.924 -4.164 1.00 0.00 H new ATOM 895 N TYR A 56 96.029 -20.442 0.800 1.00 0.00 N ATOM 896 CA TYR A 56 96.413 -19.092 1.295 1.00 0.00 C ATOM 897 C TYR A 56 96.764 -18.195 0.106 1.00 0.00 C ATOM 898 O TYR A 56 97.736 -18.417 -0.587 1.00 0.00 O ATOM 899 CB TYR A 56 97.628 -19.213 2.216 1.00 0.00 C ATOM 900 CG TYR A 56 97.228 -19.910 3.495 1.00 0.00 C ATOM 901 CD1 TYR A 56 96.737 -19.164 4.574 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.349 -21.300 3.604 1.00 0.00 C ATOM 903 CE1 TYR A 56 96.368 -19.808 5.761 1.00 0.00 C ATOM 904 CE2 TYR A 56 96.980 -21.945 4.790 1.00 0.00 C ATOM 905 CZ TYR A 56 96.489 -21.198 5.869 1.00 0.00 C ATOM 906 OH TYR A 56 96.126 -21.835 7.039 1.00 0.00 O ATOM 0 H TYR A 56 96.629 -20.823 0.068 1.00 0.00 H new ATOM 0 HA TYR A 56 95.580 -18.657 1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.420 -19.772 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.028 -18.224 2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 56 96.643 -18.091 4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.727 -21.875 2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 56 95.990 -19.232 6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.074 -23.018 4.873 1.00 0.00 H new ATOM 0 HH TYR A 56 96.272 -22.800 6.945 1.00 0.00 H new ATOM 916 N ASP A 57 95.985 -17.174 -0.123 1.00 0.00 N ATOM 917 CA ASP A 57 96.270 -16.247 -1.255 1.00 0.00 C ATOM 918 C ASP A 57 96.492 -14.846 -0.688 1.00 0.00 C ATOM 919 O ASP A 57 95.999 -14.518 0.372 1.00 0.00 O ATOM 920 CB ASP A 57 95.084 -16.235 -2.225 1.00 0.00 C ATOM 921 CG ASP A 57 94.245 -17.497 -2.023 1.00 0.00 C ATOM 922 OD1 ASP A 57 94.281 -18.355 -2.890 1.00 0.00 O ATOM 923 OD2 ASP A 57 93.582 -17.588 -1.003 1.00 0.00 O ATOM 0 H ASP A 57 95.159 -16.941 0.428 1.00 0.00 H new ATOM 0 HA ASP A 57 97.159 -16.575 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.472 -15.349 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 57 95.442 -16.185 -3.253 1.00 0.00 H new ATOM 928 N LEU A 58 97.233 -14.016 -1.368 1.00 0.00 N ATOM 929 CA LEU A 58 97.477 -12.646 -0.833 1.00 0.00 C ATOM 930 C LEU A 58 97.340 -11.609 -1.947 1.00 0.00 C ATOM 931 O LEU A 58 97.811 -11.796 -3.050 1.00 0.00 O ATOM 932 CB LEU A 58 98.888 -12.574 -0.243 1.00 0.00 C ATOM 933 CG LEU A 58 99.838 -13.449 -1.071 1.00 0.00 C ATOM 934 CD1 LEU A 58 101.228 -12.811 -1.101 1.00 0.00 C ATOM 935 CD2 LEU A 58 99.935 -14.841 -0.440 1.00 0.00 C ATOM 0 H LEU A 58 97.677 -14.223 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 58 96.740 -12.433 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.239 -11.542 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 58 98.877 -12.911 0.793 1.00 0.00 H new ATOM 0 HG LEU A 58 99.453 -13.535 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 58 101.902 -13.434 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 58 101.164 -11.820 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 58 101.610 -12.724 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.610 -15.461 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 58 100.317 -14.754 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 58 98.947 -15.300 -0.418 1.00 0.00 H new ATOM 947 N HIS A 59 96.700 -10.505 -1.656 1.00 0.00 N ATOM 948 CA HIS A 59 96.535 -9.444 -2.686 1.00 0.00 C ATOM 949 C HIS A 59 97.137 -8.138 -2.162 1.00 0.00 C ATOM 950 O HIS A 59 97.153 -7.881 -0.972 1.00 0.00 O ATOM 951 CB HIS A 59 95.045 -9.241 -2.977 1.00 0.00 C ATOM 952 CG HIS A 59 94.342 -10.572 -2.964 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.627 -11.042 -4.056 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.236 -11.543 -1.998 1.00 0.00 C ATOM 955 CE1 HIS A 59 93.127 -12.248 -3.725 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.469 -12.597 -2.485 1.00 0.00 N ATOM 0 H HIS A 59 96.285 -10.296 -0.748 1.00 0.00 H new ATOM 0 HA HIS A 59 97.044 -9.740 -3.603 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.605 -8.579 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.916 -8.760 -3.946 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.679 -11.496 -1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.524 -12.857 -4.383 1.00 0.00 H new ATOM 0 HE2 HIS A 59 93.221 -13.457 -1.995 1.00 0.00 H new ATOM 964 N TYR A 60 97.628 -7.309 -3.042 1.00 0.00 N ATOM 965 CA TYR A 60 98.223 -6.015 -2.601 1.00 0.00 C ATOM 966 C TYR A 60 97.529 -4.867 -3.338 1.00 0.00 C ATOM 967 O TYR A 60 97.600 -4.759 -4.547 1.00 0.00 O ATOM 968 CB TYR A 60 99.724 -5.997 -2.907 1.00 0.00 C ATOM 969 CG TYR A 60 100.027 -6.937 -4.050 1.00 0.00 C ATOM 970 CD1 TYR A 60 100.493 -6.429 -5.268 1.00 0.00 C ATOM 971 CD2 TYR A 60 99.850 -8.316 -3.890 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.780 -7.299 -6.326 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.134 -9.187 -4.948 1.00 0.00 C ATOM 974 CZ TYR A 60 100.599 -8.678 -6.167 1.00 0.00 C ATOM 975 OH TYR A 60 100.881 -9.537 -7.211 1.00 0.00 O ATOM 0 H TYR A 60 97.643 -7.472 -4.049 1.00 0.00 H new ATOM 0 HA TYR A 60 98.083 -5.898 -1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 60 100.040 -4.986 -3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 60 100.288 -6.293 -2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 60 100.631 -5.365 -5.392 1.00 0.00 H new ATOM 0 HD2 TYR A 60 99.494 -8.708 -2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 60 101.141 -6.906 -7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 60 99.995 -10.251 -4.824 1.00 0.00 H new ATOM 0 HH TYR A 60 101.596 -9.157 -7.763 1.00 0.00 H new ATOM 985 N TRP A 61 96.852 -4.012 -2.619 1.00 0.00 N ATOM 986 CA TRP A 61 96.147 -2.876 -3.277 1.00 0.00 C ATOM 987 C TRP A 61 97.010 -1.616 -3.189 1.00 0.00 C ATOM 988 O TRP A 61 97.397 -1.189 -2.119 1.00 0.00 O ATOM 989 CB TRP A 61 94.813 -2.629 -2.568 1.00 0.00 C ATOM 990 CG TRP A 61 93.892 -1.887 -3.482 1.00 0.00 C ATOM 991 CD1 TRP A 61 93.010 -2.463 -4.332 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.743 -0.449 -3.653 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.331 -1.470 -5.013 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.748 -0.211 -4.629 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.371 0.662 -3.061 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.388 1.084 -5.006 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.010 1.966 -3.437 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.021 2.177 -4.407 1.00 0.00 C ATOM 0 H TRP A 61 96.757 -4.052 -1.604 1.00 0.00 H new ATOM 0 HA TRP A 61 95.967 -3.118 -4.324 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.364 -3.578 -2.274 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.975 -2.057 -1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.861 -3.525 -4.458 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.610 -1.646 -5.713 1.00 0.00 H new ATOM 0 HE3 TRP A 61 95.135 0.511 -2.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.626 1.240 -5.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 94.498 2.812 -2.975 1.00 0.00 H new ATOM 0 HH2 TRP A 61 92.748 3.183 -4.691 1.00 0.00 H new ATOM 1009 N LEU A 62 97.310 -1.014 -4.309 1.00 0.00 N ATOM 1010 CA LEU A 62 98.145 0.221 -4.296 1.00 0.00 C ATOM 1011 C LEU A 62 97.254 1.439 -4.543 1.00 0.00 C ATOM 1012 O LEU A 62 96.149 1.321 -5.037 1.00 0.00 O ATOM 1013 CB LEU A 62 99.211 0.134 -5.397 1.00 0.00 C ATOM 1014 CG LEU A 62 99.508 -1.332 -5.719 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.506 -1.407 -6.876 1.00 0.00 C ATOM 1016 CD2 LEU A 62 100.107 -2.018 -4.488 1.00 0.00 C ATOM 0 H LEU A 62 97.012 -1.325 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 62 98.634 0.318 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.864 0.649 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 62 100.123 0.636 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 62 98.582 -1.834 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 62 100.718 -2.451 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 62 100.082 -0.921 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.430 -0.903 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.318 -3.062 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.032 -1.515 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.398 -1.966 -3.661 1.00 0.00 H new ATOM 1028 N GLY A 63 97.722 2.611 -4.207 1.00 0.00 N ATOM 1029 CA GLY A 63 96.900 3.836 -4.424 1.00 0.00 C ATOM 1030 C GLY A 63 97.459 4.628 -5.606 1.00 0.00 C ATOM 1031 O GLY A 63 98.613 4.493 -5.968 1.00 0.00 O ATOM 0 H GLY A 63 98.639 2.773 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.863 3.561 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.905 4.453 -3.525 1.00 0.00 H new ATOM 1035 N ASN A 64 96.651 5.454 -6.212 1.00 0.00 N ATOM 1036 CA ASN A 64 97.133 6.255 -7.372 1.00 0.00 C ATOM 1037 C ASN A 64 97.975 7.427 -6.865 1.00 0.00 C ATOM 1038 O ASN A 64 98.662 8.083 -7.623 1.00 0.00 O ATOM 1039 CB ASN A 64 95.934 6.787 -8.159 1.00 0.00 C ATOM 1040 CG ASN A 64 96.430 7.569 -9.378 1.00 0.00 C ATOM 1041 OD1 ASN A 64 95.902 8.614 -9.701 1.00 0.00 O ATOM 1042 ND2 ASN A 64 97.433 7.102 -10.073 1.00 0.00 N ATOM 0 H ASN A 64 95.677 5.609 -5.953 1.00 0.00 H new ATOM 0 HA ASN A 64 97.741 5.626 -8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.299 5.960 -8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.325 7.430 -7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 64 97.772 7.615 -10.887 1.00 0.00 H new ATOM 0 HD22 ASN A 64 97.877 6.224 -9.802 1.00 0.00 H new ATOM 1049 N GLU A 65 97.935 7.687 -5.588 1.00 0.00 N ATOM 1050 CA GLU A 65 98.737 8.806 -5.027 1.00 0.00 C ATOM 1051 C GLU A 65 99.904 8.210 -4.248 1.00 0.00 C ATOM 1052 O GLU A 65 100.454 8.824 -3.355 1.00 0.00 O ATOM 1053 CB GLU A 65 97.866 9.648 -4.092 1.00 0.00 C ATOM 1054 CG GLU A 65 96.409 9.585 -4.559 1.00 0.00 C ATOM 1055 CD GLU A 65 95.632 10.762 -3.967 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.810 11.032 -2.790 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.873 11.373 -4.700 1.00 0.00 O ATOM 0 H GLU A 65 97.379 7.170 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 65 99.107 9.445 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.948 9.278 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 65 98.213 10.681 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.363 9.616 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.957 8.643 -4.248 1.00 0.00 H new ATOM 1064 N CYS A 66 100.284 7.012 -4.591 1.00 0.00 N ATOM 1065 CA CYS A 66 101.406 6.351 -3.900 1.00 0.00 C ATOM 1066 C CYS A 66 102.362 5.802 -4.948 1.00 0.00 C ATOM 1067 O CYS A 66 102.171 4.737 -5.502 1.00 0.00 O ATOM 1068 CB CYS A 66 100.876 5.208 -3.051 1.00 0.00 C ATOM 1069 SG CYS A 66 100.480 5.818 -1.393 1.00 0.00 S ATOM 0 H CYS A 66 99.853 6.461 -5.333 1.00 0.00 H new ATOM 0 HA CYS A 66 101.922 7.064 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.987 4.779 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.619 4.412 -2.989 1.00 0.00 H new ATOM 0 HG CYS A 66 100.024 4.840 -0.668 1.00 0.00 H new ATOM 1075 N SER A 67 103.380 6.535 -5.216 1.00 0.00 N ATOM 1076 CA SER A 67 104.386 6.109 -6.229 1.00 0.00 C ATOM 1077 C SER A 67 104.843 4.680 -5.928 1.00 0.00 C ATOM 1078 O SER A 67 104.315 4.017 -5.057 1.00 0.00 O ATOM 1079 CB SER A 67 105.590 7.050 -6.177 1.00 0.00 C ATOM 1080 OG SER A 67 105.140 8.374 -5.929 1.00 0.00 O ATOM 0 H SER A 67 103.574 7.433 -4.774 1.00 0.00 H new ATOM 0 HA SER A 67 103.938 6.144 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 67 106.279 6.735 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.138 7.010 -7.118 1.00 0.00 H new ATOM 0 HG SER A 67 105.910 8.980 -5.893 1.00 0.00 H new ATOM 1086 N GLN A 68 105.821 4.198 -6.645 1.00 0.00 N ATOM 1087 CA GLN A 68 106.314 2.812 -6.405 1.00 0.00 C ATOM 1088 C GLN A 68 107.077 2.761 -5.080 1.00 0.00 C ATOM 1089 O GLN A 68 107.292 1.705 -4.520 1.00 0.00 O ATOM 1090 CB GLN A 68 107.244 2.396 -7.546 1.00 0.00 C ATOM 1091 CG GLN A 68 106.417 1.838 -8.706 1.00 0.00 C ATOM 1092 CD GLN A 68 107.288 1.746 -9.959 1.00 0.00 C ATOM 1093 OE1 GLN A 68 108.424 2.176 -9.955 1.00 0.00 O ATOM 1094 NE2 GLN A 68 106.802 1.197 -11.038 1.00 0.00 N ATOM 0 H GLN A 68 106.301 4.705 -7.388 1.00 0.00 H new ATOM 0 HA GLN A 68 105.466 2.129 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 68 107.829 3.252 -7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 68 107.951 1.644 -7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 68 106.028 0.853 -8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 68 105.557 2.481 -8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 68 105.848 0.836 -11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 68 107.376 1.129 -11.878 1.00 0.00 H new ATOM 1103 N ASP A 69 107.488 3.891 -4.574 1.00 0.00 N ATOM 1104 CA ASP A 69 108.237 3.896 -3.286 1.00 0.00 C ATOM 1105 C ASP A 69 107.332 3.380 -2.169 1.00 0.00 C ATOM 1106 O ASP A 69 107.634 2.401 -1.513 1.00 0.00 O ATOM 1107 CB ASP A 69 108.688 5.323 -2.962 1.00 0.00 C ATOM 1108 CG ASP A 69 109.924 5.275 -2.063 1.00 0.00 C ATOM 1109 OD1 ASP A 69 110.018 6.105 -1.172 1.00 0.00 O ATOM 1110 OD2 ASP A 69 110.758 4.410 -2.277 1.00 0.00 O ATOM 0 H ASP A 69 107.338 4.808 -4.995 1.00 0.00 H new ATOM 0 HA ASP A 69 109.111 3.251 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.915 5.862 -3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.884 5.866 -2.465 1.00 0.00 H new ATOM 1115 N GLU A 70 106.222 4.023 -1.954 1.00 0.00 N ATOM 1116 CA GLU A 70 105.293 3.564 -0.884 1.00 0.00 C ATOM 1117 C GLU A 70 104.783 2.166 -1.232 1.00 0.00 C ATOM 1118 O GLU A 70 104.776 1.269 -0.412 1.00 0.00 O ATOM 1119 CB GLU A 70 104.113 4.530 -0.779 1.00 0.00 C ATOM 1120 CG GLU A 70 103.517 4.459 0.629 1.00 0.00 C ATOM 1121 CD GLU A 70 103.321 2.996 1.027 1.00 0.00 C ATOM 1122 OE1 GLU A 70 104.165 2.477 1.738 1.00 0.00 O ATOM 1123 OE2 GLU A 70 102.329 2.418 0.613 1.00 0.00 O ATOM 0 H GLU A 70 105.916 4.847 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 70 105.818 3.536 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 70 104.442 5.547 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 70 103.355 4.276 -1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 70 104.177 4.955 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 70 102.563 4.986 0.659 1.00 0.00 H new ATOM 1130 N SER A 71 104.364 1.977 -2.451 1.00 0.00 N ATOM 1131 CA SER A 71 103.861 0.638 -2.866 1.00 0.00 C ATOM 1132 C SER A 71 105.005 -0.372 -2.777 1.00 0.00 C ATOM 1133 O SER A 71 104.793 -1.545 -2.543 1.00 0.00 O ATOM 1134 CB SER A 71 103.349 0.708 -4.305 1.00 0.00 C ATOM 1135 OG SER A 71 102.404 1.764 -4.417 1.00 0.00 O ATOM 0 H SER A 71 104.348 2.692 -3.179 1.00 0.00 H new ATOM 0 HA SER A 71 103.046 0.330 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 71 104.180 0.874 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 71 102.888 -0.239 -4.586 1.00 0.00 H new ATOM 0 HG SER A 71 102.871 2.600 -4.628 1.00 0.00 H new ATOM 1141 N GLY A 72 106.217 0.077 -2.959 1.00 0.00 N ATOM 1142 CA GLY A 72 107.376 -0.858 -2.880 1.00 0.00 C ATOM 1143 C GLY A 72 107.492 -1.396 -1.453 1.00 0.00 C ATOM 1144 O GLY A 72 107.664 -2.579 -1.238 1.00 0.00 O ATOM 0 H GLY A 72 106.455 1.049 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.243 -1.681 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.294 -0.343 -3.163 1.00 0.00 H new ATOM 1148 N ALA A 73 107.395 -0.538 -0.476 1.00 0.00 N ATOM 1149 CA ALA A 73 107.498 -1.002 0.936 1.00 0.00 C ATOM 1150 C ALA A 73 106.370 -1.990 1.227 1.00 0.00 C ATOM 1151 O ALA A 73 106.592 -3.071 1.738 1.00 0.00 O ATOM 1152 CB ALA A 73 107.384 0.198 1.879 1.00 0.00 C ATOM 0 H ALA A 73 107.249 0.465 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 73 108.460 -1.491 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.459 -0.142 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 73 108.188 0.903 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.423 0.689 1.728 1.00 0.00 H new ATOM 1158 N ALA A 74 105.162 -1.630 0.901 1.00 0.00 N ATOM 1159 CA ALA A 74 104.017 -2.549 1.155 1.00 0.00 C ATOM 1160 C ALA A 74 104.215 -3.835 0.352 1.00 0.00 C ATOM 1161 O ALA A 74 104.038 -4.928 0.853 1.00 0.00 O ATOM 1162 CB ALA A 74 102.713 -1.873 0.723 1.00 0.00 C ATOM 0 H ALA A 74 104.916 -0.739 0.469 1.00 0.00 H new ATOM 0 HA ALA A 74 103.967 -2.785 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.876 -2.546 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.574 -0.954 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.760 -1.638 -0.340 1.00 0.00 H new ATOM 1168 N ALA A 75 104.583 -3.715 -0.895 1.00 0.00 N ATOM 1169 CA ALA A 75 104.794 -4.928 -1.731 1.00 0.00 C ATOM 1170 C ALA A 75 105.927 -5.766 -1.135 1.00 0.00 C ATOM 1171 O ALA A 75 105.874 -6.980 -1.125 1.00 0.00 O ATOM 1172 CB ALA A 75 105.165 -4.508 -3.155 1.00 0.00 C ATOM 0 H ALA A 75 104.746 -2.827 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 75 103.878 -5.518 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 75 105.320 -5.396 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.359 -3.910 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.081 -3.918 -3.133 1.00 0.00 H new ATOM 1178 N ILE A 76 106.953 -5.130 -0.638 1.00 0.00 N ATOM 1179 CA ILE A 76 108.084 -5.894 -0.043 1.00 0.00 C ATOM 1180 C ILE A 76 107.565 -6.761 1.107 1.00 0.00 C ATOM 1181 O ILE A 76 107.911 -7.919 1.229 1.00 0.00 O ATOM 1182 CB ILE A 76 109.141 -4.917 0.482 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.002 -4.425 -0.684 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.034 -5.621 1.506 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.891 -3.271 -0.214 1.00 0.00 C ATOM 0 H ILE A 76 107.056 -4.115 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 76 108.532 -6.534 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 76 108.644 -4.071 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.618 -5.240 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.366 -4.096 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.784 -4.922 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.425 -5.974 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.530 -6.469 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.504 -2.922 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.266 -2.453 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.537 -3.615 0.593 1.00 0.00 H new ATOM 1197 N PHE A 77 106.734 -6.210 1.950 1.00 0.00 N ATOM 1198 CA PHE A 77 106.195 -7.006 3.088 1.00 0.00 C ATOM 1199 C PHE A 77 105.392 -8.190 2.544 1.00 0.00 C ATOM 1200 O PHE A 77 105.483 -9.296 3.040 1.00 0.00 O ATOM 1201 CB PHE A 77 105.283 -6.123 3.943 1.00 0.00 C ATOM 1202 CG PHE A 77 106.118 -5.342 4.930 1.00 0.00 C ATOM 1203 CD1 PHE A 77 106.859 -6.017 5.908 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.150 -3.945 4.869 1.00 0.00 C ATOM 1205 CE1 PHE A 77 107.633 -5.293 6.824 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.923 -3.221 5.784 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.664 -3.896 6.763 1.00 0.00 C ATOM 0 H PHE A 77 106.406 -5.245 1.900 1.00 0.00 H new ATOM 0 HA PHE A 77 107.020 -7.373 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.720 -5.440 3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.556 -6.738 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 77 106.834 -7.096 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 77 105.578 -3.425 4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 77 108.206 -5.813 7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 77 106.948 -2.142 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 77 108.259 -3.338 7.470 1.00 0.00 H new ATOM 1217 N THR A 78 104.606 -7.965 1.525 1.00 0.00 N ATOM 1218 CA THR A 78 103.800 -9.076 0.950 1.00 0.00 C ATOM 1219 C THR A 78 104.735 -10.084 0.285 1.00 0.00 C ATOM 1220 O THR A 78 104.550 -11.281 0.384 1.00 0.00 O ATOM 1221 CB THR A 78 102.830 -8.515 -0.092 1.00 0.00 C ATOM 1222 OG1 THR A 78 102.010 -7.525 0.512 1.00 0.00 O ATOM 1223 CG2 THR A 78 101.955 -9.642 -0.638 1.00 0.00 C ATOM 0 H THR A 78 104.489 -7.061 1.068 1.00 0.00 H new ATOM 0 HA THR A 78 103.236 -9.568 1.742 1.00 0.00 H new ATOM 0 HB THR A 78 103.395 -8.069 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.529 -6.704 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.265 -9.240 -1.380 1.00 0.00 H new ATOM 0 HG22 THR A 78 102.586 -10.400 -1.102 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.389 -10.091 0.178 1.00 0.00 H new ATOM 1231 N VAL A 79 105.744 -9.606 -0.388 1.00 0.00 N ATOM 1232 CA VAL A 79 106.699 -10.528 -1.058 1.00 0.00 C ATOM 1233 C VAL A 79 107.491 -11.295 0.001 1.00 0.00 C ATOM 1234 O VAL A 79 107.944 -12.399 -0.227 1.00 0.00 O ATOM 1235 CB VAL A 79 107.658 -9.715 -1.927 1.00 0.00 C ATOM 1236 CG1 VAL A 79 108.652 -10.656 -2.610 1.00 0.00 C ATOM 1237 CG2 VAL A 79 106.861 -8.953 -2.990 1.00 0.00 C ATOM 0 H VAL A 79 105.948 -8.613 -0.502 1.00 0.00 H new ATOM 0 HA VAL A 79 106.152 -11.235 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 79 108.202 -9.006 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 79 109.336 -10.076 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 79 109.219 -11.198 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 79 108.110 -11.366 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 79 107.544 -8.373 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 79 106.317 -9.662 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 79 106.154 -8.281 -2.503 1.00 0.00 H new ATOM 1247 N GLN A 80 107.661 -10.719 1.161 1.00 0.00 N ATOM 1248 CA GLN A 80 108.422 -11.418 2.232 1.00 0.00 C ATOM 1249 C GLN A 80 107.597 -12.599 2.750 1.00 0.00 C ATOM 1250 O GLN A 80 108.000 -13.742 2.648 1.00 0.00 O ATOM 1251 CB GLN A 80 108.701 -10.446 3.381 1.00 0.00 C ATOM 1252 CG GLN A 80 109.791 -9.457 2.960 1.00 0.00 C ATOM 1253 CD GLN A 80 111.167 -10.082 3.197 1.00 0.00 C ATOM 1254 OE1 GLN A 80 111.322 -10.937 4.046 1.00 0.00 O ATOM 1255 NE2 GLN A 80 112.181 -9.688 2.475 1.00 0.00 N ATOM 0 H GLN A 80 107.306 -9.796 1.411 1.00 0.00 H new ATOM 0 HA GLN A 80 109.368 -11.781 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.790 -9.909 3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 80 109.017 -10.996 4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 80 109.674 -9.197 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.697 -8.532 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 80 112.051 -8.970 1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 80 113.103 -10.098 2.624 1.00 0.00 H new ATOM 1264 N LEU A 81 106.441 -12.336 3.296 1.00 0.00 N ATOM 1265 CA LEU A 81 105.601 -13.456 3.805 1.00 0.00 C ATOM 1266 C LEU A 81 105.321 -14.419 2.653 1.00 0.00 C ATOM 1267 O LEU A 81 105.061 -15.588 2.855 1.00 0.00 O ATOM 1268 CB LEU A 81 104.283 -12.907 4.364 1.00 0.00 C ATOM 1269 CG LEU A 81 103.329 -12.560 3.214 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.374 -13.730 2.963 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.516 -11.318 3.586 1.00 0.00 C ATOM 0 H LEU A 81 106.045 -11.403 3.411 1.00 0.00 H new ATOM 0 HA LEU A 81 106.125 -13.980 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.821 -13.645 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 81 104.476 -12.020 4.968 1.00 0.00 H new ATOM 0 HG LEU A 81 103.909 -12.365 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 81 101.698 -13.479 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 102.948 -14.618 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.795 -13.927 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.837 -11.070 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.940 -11.518 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 81 103.191 -10.481 3.764 1.00 0.00 H new ATOM 1283 N ASP A 82 105.386 -13.936 1.441 1.00 0.00 N ATOM 1284 CA ASP A 82 105.139 -14.824 0.275 1.00 0.00 C ATOM 1285 C ASP A 82 106.330 -15.766 0.109 1.00 0.00 C ATOM 1286 O ASP A 82 106.181 -16.970 0.092 1.00 0.00 O ATOM 1287 CB ASP A 82 104.972 -13.977 -0.990 1.00 0.00 C ATOM 1288 CG ASP A 82 104.599 -14.883 -2.166 1.00 0.00 C ATOM 1289 OD1 ASP A 82 103.420 -14.976 -2.464 1.00 0.00 O ATOM 1290 OD2 ASP A 82 105.498 -15.467 -2.747 1.00 0.00 O ATOM 0 H ASP A 82 105.599 -12.965 1.211 1.00 0.00 H new ATOM 0 HA ASP A 82 104.230 -15.404 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 82 104.198 -13.225 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 82 105.897 -13.443 -1.208 1.00 0.00 H new ATOM 1295 N ASP A 83 107.517 -15.231 0.000 1.00 0.00 N ATOM 1296 CA ASP A 83 108.705 -16.113 -0.145 1.00 0.00 C ATOM 1297 C ASP A 83 108.630 -17.200 0.923 1.00 0.00 C ATOM 1298 O ASP A 83 109.003 -18.336 0.701 1.00 0.00 O ATOM 1299 CB ASP A 83 109.987 -15.293 0.035 1.00 0.00 C ATOM 1300 CG ASP A 83 110.236 -15.045 1.525 1.00 0.00 C ATOM 1301 OD1 ASP A 83 110.468 -16.010 2.235 1.00 0.00 O ATOM 1302 OD2 ASP A 83 110.192 -13.896 1.930 1.00 0.00 O ATOM 0 H ASP A 83 107.712 -14.230 0.005 1.00 0.00 H new ATOM 0 HA ASP A 83 108.718 -16.564 -1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.833 -15.823 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 83 109.899 -14.343 -0.492 1.00 0.00 H new ATOM 1307 N TYR A 84 108.132 -16.859 2.079 1.00 0.00 N ATOM 1308 CA TYR A 84 108.012 -17.868 3.165 1.00 0.00 C ATOM 1309 C TYR A 84 106.872 -18.829 2.820 1.00 0.00 C ATOM 1310 O TYR A 84 106.907 -19.996 3.153 1.00 0.00 O ATOM 1311 CB TYR A 84 107.717 -17.153 4.493 1.00 0.00 C ATOM 1312 CG TYR A 84 106.691 -17.931 5.287 1.00 0.00 C ATOM 1313 CD1 TYR A 84 107.025 -19.176 5.833 1.00 0.00 C ATOM 1314 CD2 TYR A 84 105.407 -17.406 5.475 1.00 0.00 C ATOM 1315 CE1 TYR A 84 106.075 -19.895 6.568 1.00 0.00 C ATOM 1316 CE2 TYR A 84 104.457 -18.125 6.210 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.791 -19.370 6.756 1.00 0.00 C ATOM 1318 OH TYR A 84 103.855 -20.079 7.479 1.00 0.00 O ATOM 0 H TYR A 84 107.803 -15.924 2.318 1.00 0.00 H new ATOM 0 HA TYR A 84 108.942 -18.428 3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 84 108.635 -17.051 5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 84 107.350 -16.145 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 84 108.015 -19.582 5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 84 105.149 -16.446 5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 84 106.333 -20.855 6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 84 103.467 -17.719 6.356 1.00 0.00 H new ATOM 0 HH TYR A 84 103.017 -19.572 7.515 1.00 0.00 H new ATOM 1328 N LEU A 85 105.861 -18.344 2.146 1.00 0.00 N ATOM 1329 CA LEU A 85 104.719 -19.220 1.771 1.00 0.00 C ATOM 1330 C LEU A 85 104.557 -19.221 0.250 1.00 0.00 C ATOM 1331 O LEU A 85 103.459 -19.283 -0.267 1.00 0.00 O ATOM 1332 CB LEU A 85 103.438 -18.696 2.423 1.00 0.00 C ATOM 1333 CG LEU A 85 102.439 -19.844 2.584 1.00 0.00 C ATOM 1334 CD1 LEU A 85 102.738 -20.604 3.877 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.019 -19.276 2.646 1.00 0.00 C ATOM 0 H LEU A 85 105.780 -17.374 1.840 1.00 0.00 H new ATOM 0 HA LEU A 85 104.910 -20.236 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.665 -18.259 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 85 103.004 -17.905 1.811 1.00 0.00 H new ATOM 0 HG LEU A 85 102.525 -20.523 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 85 102.026 -21.422 3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 85 103.750 -21.007 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 85 102.651 -19.926 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 85 100.305 -20.092 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 85 100.935 -18.598 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 100.804 -18.733 1.726 1.00 0.00 H new ATOM 1347 N ASN A 86 105.642 -19.154 -0.473 1.00 0.00 N ATOM 1348 CA ASN A 86 105.549 -19.150 -1.957 1.00 0.00 C ATOM 1349 C ASN A 86 105.543 -20.591 -2.464 1.00 0.00 C ATOM 1350 O ASN A 86 106.002 -20.880 -3.551 1.00 0.00 O ATOM 1351 CB ASN A 86 106.746 -18.401 -2.545 1.00 0.00 C ATOM 1352 CG ASN A 86 106.612 -18.335 -4.066 1.00 0.00 C ATOM 1353 OD1 ASN A 86 105.714 -17.698 -4.583 1.00 0.00 O ATOM 1354 ND2 ASN A 86 107.472 -18.973 -4.813 1.00 0.00 N ATOM 0 H ASN A 86 106.589 -19.102 -0.098 1.00 0.00 H new ATOM 0 HA ASN A 86 104.630 -18.651 -2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 86 106.797 -17.394 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.673 -18.906 -2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 86 107.390 -18.937 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 86 108.225 -19.507 -4.380 1.00 0.00 H new ATOM 1361 N GLY A 87 105.025 -21.493 -1.682 1.00 0.00 N ATOM 1362 CA GLY A 87 104.983 -22.922 -2.107 1.00 0.00 C ATOM 1363 C GLY A 87 103.545 -23.308 -2.457 1.00 0.00 C ATOM 1364 O GLY A 87 103.304 -24.260 -3.170 1.00 0.00 O ATOM 0 H GLY A 87 104.627 -21.304 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.632 -23.075 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 87 105.358 -23.561 -1.308 1.00 0.00 H new ATOM 1368 N ARG A 88 102.587 -22.576 -1.957 1.00 0.00 N ATOM 1369 CA ARG A 88 101.168 -22.901 -2.259 1.00 0.00 C ATOM 1370 C ARG A 88 100.299 -21.665 -2.011 1.00 0.00 C ATOM 1371 O ARG A 88 99.454 -21.653 -1.139 1.00 0.00 O ATOM 1372 CB ARG A 88 100.707 -24.042 -1.352 1.00 0.00 C ATOM 1373 CG ARG A 88 99.254 -24.390 -1.673 1.00 0.00 C ATOM 1374 CD ARG A 88 98.986 -25.859 -1.331 1.00 0.00 C ATOM 1375 NE ARG A 88 97.635 -26.246 -1.826 1.00 0.00 N ATOM 1376 CZ ARG A 88 97.494 -26.743 -3.025 1.00 0.00 C ATOM 1377 NH1 ARG A 88 96.311 -27.086 -3.453 1.00 0.00 N ATOM 1378 NH2 ARG A 88 98.536 -26.895 -3.798 1.00 0.00 N ATOM 0 H ARG A 88 102.728 -21.767 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 88 101.075 -23.205 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 88 101.342 -24.916 -1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 88 100.800 -23.750 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 88 98.582 -23.746 -1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 88 99.052 -24.210 -2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 88 99.747 -26.494 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 88 99.047 -26.009 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 88 96.819 -26.122 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 88 95.496 -26.966 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 88 96.200 -27.474 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 88 99.462 -26.625 -3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 88 98.424 -27.283 -4.734 1.00 0.00 H new ATOM 1392 N ALA A 89 100.500 -20.624 -2.773 1.00 0.00 N ATOM 1393 CA ALA A 89 99.685 -19.392 -2.580 1.00 0.00 C ATOM 1394 C ALA A 89 99.601 -18.626 -3.903 1.00 0.00 C ATOM 1395 O ALA A 89 100.229 -18.985 -4.879 1.00 0.00 O ATOM 1396 CB ALA A 89 100.337 -18.505 -1.519 1.00 0.00 C ATOM 0 H ALA A 89 101.193 -20.574 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 89 98.683 -19.669 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.739 -17.605 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.398 -19.050 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.340 -18.228 -1.843 1.00 0.00 H new ATOM 1402 N VAL A 90 98.829 -17.574 -3.943 1.00 0.00 N ATOM 1403 CA VAL A 90 98.706 -16.787 -5.203 1.00 0.00 C ATOM 1404 C VAL A 90 98.771 -15.292 -4.884 1.00 0.00 C ATOM 1405 O VAL A 90 98.252 -14.836 -3.885 1.00 0.00 O ATOM 1406 CB VAL A 90 97.367 -17.107 -5.872 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.339 -16.497 -7.275 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.199 -18.624 -5.974 1.00 0.00 C ATOM 0 H VAL A 90 98.279 -17.226 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 90 99.523 -17.049 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 90 96.555 -16.689 -5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 90 96.386 -16.725 -7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 90 97.460 -15.416 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 90 98.151 -16.915 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.246 -18.853 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 90 98.012 -19.041 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.220 -19.060 -4.975 1.00 0.00 H new ATOM 1418 N GLN A 91 99.403 -14.526 -5.730 1.00 0.00 N ATOM 1419 CA GLN A 91 99.502 -13.058 -5.482 1.00 0.00 C ATOM 1420 C GLN A 91 98.509 -12.328 -6.393 1.00 0.00 C ATOM 1421 O GLN A 91 98.231 -12.762 -7.493 1.00 0.00 O ATOM 1422 CB GLN A 91 100.928 -12.583 -5.789 1.00 0.00 C ATOM 1423 CG GLN A 91 101.659 -13.648 -6.609 1.00 0.00 C ATOM 1424 CD GLN A 91 102.941 -13.052 -7.194 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.998 -11.874 -7.487 1.00 0.00 O ATOM 1426 NE2 GLN A 91 103.980 -13.821 -7.376 1.00 0.00 N ATOM 0 H GLN A 91 99.856 -14.853 -6.584 1.00 0.00 H new ATOM 0 HA GLN A 91 99.268 -12.843 -4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 91 100.898 -11.643 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.466 -12.392 -4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 91 101.898 -14.506 -5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 91 101.015 -14.010 -7.410 1.00 0.00 H new ATOM 0 HE21 GLN A 91 103.932 -14.810 -7.130 1.00 0.00 H new ATOM 0 HE22 GLN A 91 104.840 -13.433 -7.764 1.00 0.00 H new ATOM 1435 N HIS A 92 97.969 -11.226 -5.943 1.00 0.00 N ATOM 1436 CA HIS A 92 96.996 -10.480 -6.791 1.00 0.00 C ATOM 1437 C HIS A 92 97.363 -8.994 -6.810 1.00 0.00 C ATOM 1438 O HIS A 92 97.381 -8.337 -5.789 1.00 0.00 O ATOM 1439 CB HIS A 92 95.588 -10.649 -6.216 1.00 0.00 C ATOM 1440 CG HIS A 92 95.066 -12.019 -6.552 1.00 0.00 C ATOM 1441 ND1 HIS A 92 94.102 -12.224 -7.528 1.00 0.00 N ATOM 1442 CD2 HIS A 92 95.361 -13.262 -6.046 1.00 0.00 C ATOM 1443 CE1 HIS A 92 93.851 -13.546 -7.578 1.00 0.00 C ATOM 1444 NE2 HIS A 92 94.592 -14.219 -6.698 1.00 0.00 N ATOM 0 H HIS A 92 98.159 -10.813 -5.030 1.00 0.00 H new ATOM 0 HA HIS A 92 97.026 -10.872 -7.807 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.607 -10.511 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.924 -9.886 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 92 96.078 -13.464 -5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 92 93.138 -14.004 -8.248 1.00 0.00 H new ATOM 0 HE2 HIS A 92 94.594 -15.226 -6.537 1.00 0.00 H new ATOM 1452 N ARG A 93 97.654 -8.462 -7.965 1.00 0.00 N ATOM 1453 CA ARG A 93 98.018 -7.020 -8.049 1.00 0.00 C ATOM 1454 C ARG A 93 96.759 -6.196 -8.320 1.00 0.00 C ATOM 1455 O ARG A 93 96.198 -6.238 -9.397 1.00 0.00 O ATOM 1456 CB ARG A 93 99.023 -6.811 -9.186 1.00 0.00 C ATOM 1457 CG ARG A 93 98.347 -7.090 -10.531 1.00 0.00 C ATOM 1458 CD ARG A 93 99.387 -7.598 -11.531 1.00 0.00 C ATOM 1459 NE ARG A 93 99.589 -9.062 -11.338 1.00 0.00 N ATOM 1460 CZ ARG A 93 100.408 -9.716 -12.114 1.00 0.00 C ATOM 1461 NH1 ARG A 93 100.585 -10.997 -11.945 1.00 0.00 N ATOM 1462 NH2 ARG A 93 101.052 -9.087 -13.060 1.00 0.00 N ATOM 0 H ARG A 93 97.655 -8.963 -8.853 1.00 0.00 H new ATOM 0 HA ARG A 93 98.467 -6.701 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.404 -5.790 -9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 93 99.879 -7.473 -9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 93 97.556 -7.830 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 93 97.877 -6.182 -10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 93 99.056 -7.397 -12.550 1.00 0.00 H new ATOM 0 HD3 ARG A 93 100.330 -7.069 -11.392 1.00 0.00 H new ATOM 0 HE ARG A 93 99.086 -9.553 -10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 93 100.083 -11.488 -11.205 1.00 0.00 H new ATOM 0 HH12 ARG A 93 101.226 -11.508 -12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 93 100.914 -8.085 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 93 101.693 -9.598 -13.667 1.00 0.00 H new ATOM 1476 N GLU A 94 96.309 -5.446 -7.349 1.00 0.00 N ATOM 1477 CA GLU A 94 95.084 -4.621 -7.549 1.00 0.00 C ATOM 1478 C GLU A 94 95.458 -3.137 -7.513 1.00 0.00 C ATOM 1479 O GLU A 94 96.325 -2.723 -6.770 1.00 0.00 O ATOM 1480 CB GLU A 94 94.083 -4.921 -6.434 1.00 0.00 C ATOM 1481 CG GLU A 94 93.691 -6.399 -6.483 1.00 0.00 C ATOM 1482 CD GLU A 94 93.002 -6.790 -5.175 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.307 -7.792 -5.172 1.00 0.00 O ATOM 1484 OE2 GLU A 94 93.181 -6.080 -4.199 1.00 0.00 O ATOM 0 H GLU A 94 96.737 -5.370 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 94 94.637 -4.860 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.520 -4.682 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.198 -4.295 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 94 93.024 -6.581 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.576 -7.016 -6.638 1.00 0.00 H new ATOM 1491 N VAL A 95 94.808 -2.334 -8.310 1.00 0.00 N ATOM 1492 CA VAL A 95 95.124 -0.880 -8.322 1.00 0.00 C ATOM 1493 C VAL A 95 93.857 -0.088 -8.652 1.00 0.00 C ATOM 1494 O VAL A 95 92.867 -0.638 -9.092 1.00 0.00 O ATOM 1495 CB VAL A 95 96.193 -0.601 -9.378 1.00 0.00 C ATOM 1496 CG1 VAL A 95 96.620 0.866 -9.299 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.407 -1.498 -9.123 1.00 0.00 C ATOM 0 H VAL A 95 94.071 -2.623 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 95 95.496 -0.578 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 95 95.787 -0.808 -10.368 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.382 1.064 -10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 95 95.757 1.506 -9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.026 1.074 -8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 95 98.170 -1.300 -9.876 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.812 -1.290 -8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 95 97.105 -2.544 -9.179 1.00 0.00 H new ATOM 1507 N GLN A 96 93.880 1.200 -8.445 1.00 0.00 N ATOM 1508 CA GLN A 96 92.677 2.024 -8.749 1.00 0.00 C ATOM 1509 C GLN A 96 92.321 1.876 -10.229 1.00 0.00 C ATOM 1510 O GLN A 96 93.075 2.261 -11.101 1.00 0.00 O ATOM 1511 CB GLN A 96 92.974 3.492 -8.438 1.00 0.00 C ATOM 1512 CG GLN A 96 91.738 4.341 -8.746 1.00 0.00 C ATOM 1513 CD GLN A 96 91.805 5.648 -7.954 1.00 0.00 C ATOM 1514 OE1 GLN A 96 90.907 5.961 -7.198 1.00 0.00 O ATOM 1515 NE2 GLN A 96 92.841 6.430 -8.095 1.00 0.00 N ATOM 0 H GLN A 96 94.679 1.717 -8.079 1.00 0.00 H new ATOM 0 HA GLN A 96 91.839 1.687 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.252 3.603 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.821 3.836 -9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.687 4.553 -9.814 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.833 3.792 -8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.595 6.168 -8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 96 92.896 7.303 -7.571 1.00 0.00 H new ATOM 1524 N GLY A 97 91.176 1.323 -10.521 1.00 0.00 N ATOM 1525 CA GLY A 97 90.773 1.151 -11.946 1.00 0.00 C ATOM 1526 C GLY A 97 91.452 -0.094 -12.520 1.00 0.00 C ATOM 1527 O GLY A 97 91.417 -0.340 -13.709 1.00 0.00 O ATOM 0 H GLY A 97 90.502 0.983 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 97 89.690 1.055 -12.020 1.00 0.00 H new ATOM 0 HA3 GLY A 97 91.055 2.031 -12.524 1.00 0.00 H new ATOM 1531 N PHE A 98 92.072 -0.882 -11.683 1.00 0.00 N ATOM 1532 CA PHE A 98 92.753 -2.111 -12.181 1.00 0.00 C ATOM 1533 C PHE A 98 92.583 -3.235 -11.155 1.00 0.00 C ATOM 1534 O PHE A 98 93.373 -4.156 -11.093 1.00 0.00 O ATOM 1535 CB PHE A 98 94.245 -1.820 -12.386 1.00 0.00 C ATOM 1536 CG PHE A 98 94.651 -2.199 -13.792 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.986 -1.204 -14.717 1.00 0.00 C ATOM 1538 CD2 PHE A 98 94.692 -3.547 -14.167 1.00 0.00 C ATOM 1539 CE1 PHE A 98 95.361 -1.557 -16.019 1.00 0.00 C ATOM 1540 CE2 PHE A 98 95.067 -3.901 -15.469 1.00 0.00 C ATOM 1541 CZ PHE A 98 95.402 -2.906 -16.394 1.00 0.00 C ATOM 0 H PHE A 98 92.136 -0.728 -10.677 1.00 0.00 H new ATOM 0 HA PHE A 98 92.312 -2.416 -13.130 1.00 0.00 H new ATOM 0 HB2 PHE A 98 94.446 -0.763 -12.212 1.00 0.00 H new ATOM 0 HB3 PHE A 98 94.837 -2.381 -11.663 1.00 0.00 H new ATOM 0 HD1 PHE A 98 94.955 -0.164 -14.427 1.00 0.00 H new ATOM 0 HD2 PHE A 98 94.434 -4.314 -13.452 1.00 0.00 H new ATOM 0 HE1 PHE A 98 95.619 -0.790 -16.734 1.00 0.00 H new ATOM 0 HE2 PHE A 98 95.098 -4.941 -15.759 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.692 -3.178 -17.398 1.00 0.00 H new ATOM 1551 N GLU A 99 91.557 -3.167 -10.351 1.00 0.00 N ATOM 1552 CA GLU A 99 91.336 -4.230 -9.332 1.00 0.00 C ATOM 1553 C GLU A 99 91.550 -5.605 -9.971 1.00 0.00 C ATOM 1554 O GLU A 99 91.686 -5.727 -11.171 1.00 0.00 O ATOM 1555 CB GLU A 99 89.907 -4.134 -8.793 1.00 0.00 C ATOM 1556 CG GLU A 99 88.930 -3.965 -9.959 1.00 0.00 C ATOM 1557 CD GLU A 99 87.531 -3.671 -9.412 1.00 0.00 C ATOM 1558 OE1 GLU A 99 86.772 -3.015 -10.106 1.00 0.00 O ATOM 1559 OE2 GLU A 99 87.244 -4.105 -8.309 1.00 0.00 O ATOM 0 H GLU A 99 90.862 -2.420 -10.357 1.00 0.00 H new ATOM 0 HA GLU A 99 92.042 -4.097 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 99 89.660 -5.031 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 99 89.822 -3.290 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 99 89.257 -3.152 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 99 88.912 -4.870 -10.567 1.00 0.00 H new ATOM 1566 N SER A 100 91.582 -6.641 -9.176 1.00 0.00 N ATOM 1567 CA SER A 100 91.789 -8.004 -9.739 1.00 0.00 C ATOM 1568 C SER A 100 90.433 -8.644 -10.044 1.00 0.00 C ATOM 1569 O SER A 100 89.399 -8.157 -9.632 1.00 0.00 O ATOM 1570 CB SER A 100 92.540 -8.866 -8.723 1.00 0.00 C ATOM 1571 OG SER A 100 92.333 -10.239 -9.028 1.00 0.00 O ATOM 0 H SER A 100 91.474 -6.601 -8.163 1.00 0.00 H new ATOM 0 HA SER A 100 92.371 -7.931 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 100 93.604 -8.633 -8.747 1.00 0.00 H new ATOM 0 HB3 SER A 100 92.189 -8.649 -7.714 1.00 0.00 H new ATOM 0 HG SER A 100 92.948 -10.788 -8.498 1.00 0.00 H new ATOM 1577 N ALA A 101 90.430 -9.733 -10.764 1.00 0.00 N ATOM 1578 CA ALA A 101 89.140 -10.405 -11.095 1.00 0.00 C ATOM 1579 C ALA A 101 88.597 -11.112 -9.850 1.00 0.00 C ATOM 1580 O ALA A 101 87.513 -10.819 -9.384 1.00 0.00 O ATOM 1581 CB ALA A 101 89.373 -11.433 -12.204 1.00 0.00 C ATOM 0 H ALA A 101 91.264 -10.186 -11.137 1.00 0.00 H new ATOM 0 HA ALA A 101 88.419 -9.661 -11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 101 88.431 -11.925 -12.447 1.00 0.00 H new ATOM 0 HB2 ALA A 101 89.760 -10.930 -13.091 1.00 0.00 H new ATOM 0 HB3 ALA A 101 90.094 -12.177 -11.865 1.00 0.00 H new ATOM 1587 N THR A 102 89.340 -12.038 -9.310 1.00 0.00 N ATOM 1588 CA THR A 102 88.862 -12.759 -8.097 1.00 0.00 C ATOM 1589 C THR A 102 88.328 -11.747 -7.083 1.00 0.00 C ATOM 1590 O THR A 102 87.372 -12.003 -6.378 1.00 0.00 O ATOM 1591 CB THR A 102 90.021 -13.542 -7.476 1.00 0.00 C ATOM 1592 OG1 THR A 102 90.312 -14.674 -8.285 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.636 -14.003 -6.070 1.00 0.00 C ATOM 0 H THR A 102 90.256 -12.326 -9.655 1.00 0.00 H new ATOM 0 HA THR A 102 88.067 -13.451 -8.375 1.00 0.00 H new ATOM 0 HB THR A 102 90.901 -12.901 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 102 91.055 -15.176 -7.890 1.00 0.00 H new ATOM 0 HG21 THR A 102 90.463 -14.560 -5.631 1.00 0.00 H new ATOM 0 HG22 THR A 102 89.414 -13.134 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.756 -14.644 -6.125 1.00 0.00 H new ATOM 1601 N PHE A 103 88.938 -10.598 -7.007 1.00 0.00 N ATOM 1602 CA PHE A 103 88.467 -9.567 -6.041 1.00 0.00 C ATOM 1603 C PHE A 103 87.104 -9.038 -6.491 1.00 0.00 C ATOM 1604 O PHE A 103 86.183 -8.919 -5.707 1.00 0.00 O ATOM 1605 CB PHE A 103 89.473 -8.414 -5.992 1.00 0.00 C ATOM 1606 CG PHE A 103 89.409 -7.743 -4.641 1.00 0.00 C ATOM 1607 CD1 PHE A 103 88.672 -6.564 -4.477 1.00 0.00 C ATOM 1608 CD2 PHE A 103 90.089 -8.299 -3.550 1.00 0.00 C ATOM 1609 CE1 PHE A 103 88.615 -5.942 -3.224 1.00 0.00 C ATOM 1610 CE2 PHE A 103 90.032 -7.679 -2.298 1.00 0.00 C ATOM 1611 CZ PHE A 103 89.295 -6.499 -2.135 1.00 0.00 C ATOM 0 H PHE A 103 89.743 -10.328 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 103 88.377 -10.010 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 103 90.480 -8.789 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 103 89.253 -7.692 -6.779 1.00 0.00 H new ATOM 0 HD1 PHE A 103 88.147 -6.134 -5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 103 90.658 -9.208 -3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 103 88.046 -5.033 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 103 90.556 -8.110 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 103 89.252 -6.019 -1.169 1.00 0.00 H new ATOM 1621 N LEU A 104 86.967 -8.721 -7.750 1.00 0.00 N ATOM 1622 CA LEU A 104 85.664 -8.204 -8.252 1.00 0.00 C ATOM 1623 C LEU A 104 84.581 -9.263 -8.041 1.00 0.00 C ATOM 1624 O LEU A 104 83.403 -8.966 -8.022 1.00 0.00 O ATOM 1625 CB LEU A 104 85.783 -7.882 -9.743 1.00 0.00 C ATOM 1626 CG LEU A 104 86.229 -6.428 -9.925 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.579 -6.184 -11.395 1.00 0.00 C ATOM 1628 CD2 LEU A 104 85.098 -5.482 -9.505 1.00 0.00 C ATOM 0 H LEU A 104 87.703 -8.798 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 104 85.397 -7.299 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 104 86.501 -8.554 -10.214 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.825 -8.043 -10.237 1.00 0.00 H new ATOM 0 HG LEU A 104 87.105 -6.239 -9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.897 -5.150 -11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.387 -6.852 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.703 -6.376 -12.014 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.420 -4.449 -9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.219 -5.669 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 104 84.850 -5.654 -8.458 1.00 0.00 H new ATOM 1640 N GLY A 105 84.970 -10.499 -7.885 1.00 0.00 N ATOM 1641 CA GLY A 105 83.963 -11.576 -7.676 1.00 0.00 C ATOM 1642 C GLY A 105 83.764 -11.805 -6.177 1.00 0.00 C ATOM 1643 O GLY A 105 82.729 -12.271 -5.741 1.00 0.00 O ATOM 0 H GLY A 105 85.942 -10.809 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 105 83.017 -11.299 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 105 84.296 -12.497 -8.154 1.00 0.00 H new ATOM 1647 N TYR A 106 84.747 -11.477 -5.383 1.00 0.00 N ATOM 1648 CA TYR A 106 84.613 -11.675 -3.913 1.00 0.00 C ATOM 1649 C TYR A 106 83.797 -10.526 -3.316 1.00 0.00 C ATOM 1650 O TYR A 106 83.229 -10.644 -2.249 1.00 0.00 O ATOM 1651 CB TYR A 106 86.005 -11.699 -3.275 1.00 0.00 C ATOM 1652 CG TYR A 106 85.962 -12.508 -2.001 1.00 0.00 C ATOM 1653 CD1 TYR A 106 85.881 -11.859 -0.762 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.003 -13.906 -2.057 1.00 0.00 C ATOM 1655 CE1 TYR A 106 85.840 -12.608 0.420 1.00 0.00 C ATOM 1656 CE2 TYR A 106 85.964 -14.656 -0.874 1.00 0.00 C ATOM 1657 CZ TYR A 106 85.882 -14.006 0.363 1.00 0.00 C ATOM 1658 OH TYR A 106 85.842 -14.745 1.529 1.00 0.00 O ATOM 0 H TYR A 106 85.636 -11.081 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 106 84.106 -12.620 -3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.727 -12.131 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.336 -10.683 -3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 106 85.850 -10.780 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 106 86.065 -14.407 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.776 -12.108 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 106 85.997 -15.735 -0.917 1.00 0.00 H new ATOM 0 HH TYR A 106 85.879 -15.700 1.312 1.00 0.00 H new ATOM 1668 N PHE A 107 83.731 -9.415 -3.999 1.00 0.00 N ATOM 1669 CA PHE A 107 82.949 -8.261 -3.471 1.00 0.00 C ATOM 1670 C PHE A 107 81.601 -8.757 -2.945 1.00 0.00 C ATOM 1671 O PHE A 107 80.822 -9.348 -3.667 1.00 0.00 O ATOM 1672 CB PHE A 107 82.722 -7.241 -4.592 1.00 0.00 C ATOM 1673 CG PHE A 107 81.592 -7.706 -5.483 1.00 0.00 C ATOM 1674 CD1 PHE A 107 81.672 -8.946 -6.127 1.00 0.00 C ATOM 1675 CD2 PHE A 107 80.466 -6.895 -5.663 1.00 0.00 C ATOM 1676 CE1 PHE A 107 80.625 -9.375 -6.952 1.00 0.00 C ATOM 1677 CE2 PHE A 107 79.418 -7.323 -6.487 1.00 0.00 C ATOM 1678 CZ PHE A 107 79.498 -8.563 -7.132 1.00 0.00 C ATOM 0 H PHE A 107 84.184 -9.257 -4.899 1.00 0.00 H new ATOM 0 HA PHE A 107 83.501 -7.787 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 107 82.485 -6.266 -4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 107 83.634 -7.121 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.541 -9.572 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 107 80.405 -5.938 -5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 107 80.686 -10.332 -7.449 1.00 0.00 H new ATOM 0 HE2 PHE A 107 78.549 -6.697 -6.625 1.00 0.00 H new ATOM 0 HZ PHE A 107 78.691 -8.894 -7.769 1.00 0.00 H new ATOM 1688 N LYS A 108 81.316 -8.523 -1.693 1.00 0.00 N ATOM 1689 CA LYS A 108 80.018 -8.981 -1.121 1.00 0.00 C ATOM 1690 C LYS A 108 79.118 -7.771 -0.861 1.00 0.00 C ATOM 1691 O LYS A 108 77.974 -7.740 -1.266 1.00 0.00 O ATOM 1692 CB LYS A 108 80.274 -9.720 0.195 1.00 0.00 C ATOM 1693 CG LYS A 108 79.105 -10.664 0.484 1.00 0.00 C ATOM 1694 CD LYS A 108 79.313 -11.332 1.846 1.00 0.00 C ATOM 1695 CE LYS A 108 80.527 -12.260 1.784 1.00 0.00 C ATOM 1696 NZ LYS A 108 81.764 -11.478 2.067 1.00 0.00 N ATOM 0 H LYS A 108 81.928 -8.033 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 108 79.527 -9.652 -1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 108 81.205 -10.284 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 108 80.388 -9.005 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 108 78.166 -10.110 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 108 79.033 -11.421 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 108 79.461 -10.574 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 108 78.424 -11.898 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 108 80.419 -13.066 2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 108 80.594 -12.724 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 82.360 -11.451 1.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 81.507 -10.508 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 82.289 -11.928 2.843 1.00 0.00 H new ATOM 1710 N SER A 109 79.626 -6.775 -0.187 1.00 0.00 N ATOM 1711 CA SER A 109 78.797 -5.570 0.098 1.00 0.00 C ATOM 1712 C SER A 109 79.175 -4.448 -0.871 1.00 0.00 C ATOM 1713 O SER A 109 78.512 -3.431 -0.947 1.00 0.00 O ATOM 1714 CB SER A 109 79.048 -5.107 1.534 1.00 0.00 C ATOM 1715 OG SER A 109 80.406 -4.709 1.668 1.00 0.00 O ATOM 0 H SER A 109 80.578 -6.744 0.178 1.00 0.00 H new ATOM 0 HA SER A 109 77.743 -5.818 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 109 78.387 -4.276 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 109 78.822 -5.912 2.233 1.00 0.00 H new ATOM 0 HG SER A 109 80.570 -4.410 2.587 1.00 0.00 H new ATOM 1721 N GLY A 110 80.233 -4.623 -1.614 1.00 0.00 N ATOM 1722 CA GLY A 110 80.651 -3.564 -2.577 1.00 0.00 C ATOM 1723 C GLY A 110 81.729 -2.688 -1.937 1.00 0.00 C ATOM 1724 O GLY A 110 81.460 -1.911 -1.042 1.00 0.00 O ATOM 0 H GLY A 110 80.826 -5.453 -1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 110 81.033 -4.019 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.792 -2.955 -2.859 1.00 0.00 H new ATOM 1728 N LEU A 111 82.948 -2.807 -2.386 1.00 0.00 N ATOM 1729 CA LEU A 111 84.041 -1.981 -1.801 1.00 0.00 C ATOM 1730 C LEU A 111 83.817 -0.510 -2.158 1.00 0.00 C ATOM 1731 O LEU A 111 82.890 -0.167 -2.865 1.00 0.00 O ATOM 1732 CB LEU A 111 85.389 -2.445 -2.365 1.00 0.00 C ATOM 1733 CG LEU A 111 85.179 -3.056 -3.753 1.00 0.00 C ATOM 1734 CD1 LEU A 111 86.456 -2.898 -4.580 1.00 0.00 C ATOM 1735 CD2 LEU A 111 84.844 -4.544 -3.612 1.00 0.00 C ATOM 0 H LEU A 111 83.234 -3.440 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 111 84.042 -2.095 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 111 86.078 -1.603 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.841 -3.179 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 111 84.357 -2.544 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 111 86.306 -3.333 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 111 86.695 -1.839 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 111 87.279 -3.409 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 111 84.695 -4.979 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 111 85.666 -5.056 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 111 83.933 -4.658 -3.024 1.00 0.00 H new ATOM 1747 N LYS A 112 84.658 0.363 -1.671 1.00 0.00 N ATOM 1748 CA LYS A 112 84.494 1.807 -1.981 1.00 0.00 C ATOM 1749 C LYS A 112 85.871 2.471 -2.058 1.00 0.00 C ATOM 1750 O LYS A 112 86.775 2.134 -1.320 1.00 0.00 O ATOM 1751 CB LYS A 112 83.668 2.474 -0.880 1.00 0.00 C ATOM 1752 CG LYS A 112 83.481 3.955 -1.209 1.00 0.00 C ATOM 1753 CD LYS A 112 82.238 4.486 -0.493 1.00 0.00 C ATOM 1754 CE LYS A 112 80.995 4.198 -1.337 1.00 0.00 C ATOM 1755 NZ LYS A 112 80.803 5.293 -2.328 1.00 0.00 N ATOM 0 H LYS A 112 85.451 0.135 -1.072 1.00 0.00 H new ATOM 0 HA LYS A 112 83.982 1.918 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 112 82.698 1.985 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.169 2.365 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 112 84.360 4.520 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 112 83.378 4.089 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 112 82.142 4.016 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 112 82.334 5.558 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 112 81.105 3.243 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 112 80.118 4.116 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 79.958 5.098 -2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 80.680 6.196 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 81.636 5.351 -2.947 1.00 0.00 H new ATOM 1769 N TYR A 113 86.037 3.411 -2.949 1.00 0.00 N ATOM 1770 CA TYR A 113 87.356 4.099 -3.075 1.00 0.00 C ATOM 1771 C TYR A 113 87.215 5.557 -2.635 1.00 0.00 C ATOM 1772 O TYR A 113 86.389 6.292 -3.140 1.00 0.00 O ATOM 1773 CB TYR A 113 87.819 4.050 -4.534 1.00 0.00 C ATOM 1774 CG TYR A 113 87.329 2.776 -5.177 1.00 0.00 C ATOM 1775 CD1 TYR A 113 88.223 1.730 -5.431 1.00 0.00 C ATOM 1776 CD2 TYR A 113 85.978 2.642 -5.521 1.00 0.00 C ATOM 1777 CE1 TYR A 113 87.768 0.549 -6.029 1.00 0.00 C ATOM 1778 CE2 TYR A 113 85.523 1.460 -6.119 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.417 0.414 -6.373 1.00 0.00 C ATOM 1780 OH TYR A 113 85.968 -0.750 -6.962 1.00 0.00 O ATOM 0 H TYR A 113 85.317 3.733 -3.596 1.00 0.00 H new ATOM 0 HA TYR A 113 88.089 3.598 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 113 87.436 4.914 -5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 113 88.907 4.099 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 113 89.265 1.834 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 113 85.288 3.449 -5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 113 88.459 -0.258 -6.225 1.00 0.00 H new ATOM 0 HE2 TYR A 113 84.481 1.356 -6.384 1.00 0.00 H new ATOM 0 HH TYR A 113 85.006 -0.679 -7.135 1.00 0.00 H new ATOM 1790 N LYS A 114 88.013 5.983 -1.694 1.00 0.00 N ATOM 1791 CA LYS A 114 87.923 7.394 -1.223 1.00 0.00 C ATOM 1792 C LYS A 114 88.986 8.237 -1.928 1.00 0.00 C ATOM 1793 O LYS A 114 89.952 7.721 -2.454 1.00 0.00 O ATOM 1794 CB LYS A 114 88.154 7.443 0.289 1.00 0.00 C ATOM 1795 CG LYS A 114 87.139 6.537 0.991 1.00 0.00 C ATOM 1796 CD LYS A 114 87.006 6.956 2.458 1.00 0.00 C ATOM 1797 CE LYS A 114 86.356 8.339 2.547 1.00 0.00 C ATOM 1798 NZ LYS A 114 85.480 8.399 3.751 1.00 0.00 N ATOM 0 H LYS A 114 88.723 5.415 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 114 86.934 7.790 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 114 89.168 7.120 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 114 88.054 8.467 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 114 86.171 6.604 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 114 87.459 5.497 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 114 86.405 6.226 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 114 87.988 6.975 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 114 87.124 9.111 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 114 85.771 8.537 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 85.038 9.338 3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 84.740 7.672 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 86.050 8.228 4.604 1.00 0.00 H new ATOM 1812 N LYS A 115 88.815 9.532 -1.942 1.00 0.00 N ATOM 1813 CA LYS A 115 89.816 10.412 -2.613 1.00 0.00 C ATOM 1814 C LYS A 115 90.303 11.472 -1.624 1.00 0.00 C ATOM 1815 O LYS A 115 89.523 12.214 -1.059 1.00 0.00 O ATOM 1816 CB LYS A 115 89.164 11.100 -3.816 1.00 0.00 C ATOM 1817 CG LYS A 115 88.277 10.100 -4.558 1.00 0.00 C ATOM 1818 CD LYS A 115 87.987 10.620 -5.967 1.00 0.00 C ATOM 1819 CE LYS A 115 87.233 11.947 -5.878 1.00 0.00 C ATOM 1820 NZ LYS A 115 88.206 13.057 -5.663 1.00 0.00 N ATOM 0 H LYS A 115 88.025 10.019 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 115 90.661 9.812 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 115 88.570 11.952 -3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 115 89.931 11.488 -4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 115 88.771 9.130 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 115 87.344 9.953 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 115 88.920 10.756 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 115 87.396 9.890 -6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 115 86.666 12.118 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 115 86.514 11.915 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 88.112 13.418 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 89.173 12.704 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 88.012 13.824 -6.338 1.00 0.00 H new