USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ 165:sc= 2.25 (180deg=1.74) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1.1!) USER MOD Single : A 8 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 13 ASN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 17 THR OG1 : rot 115:sc= 1.02 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 43:sc= 0.86 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0198 K(o=-0.02,f=-1.2) USER MOD Single : A 35 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 39 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.3!) USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= 1.17 (180deg=-0.743) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.508 K(o=0.51,f=-6.7!) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00549) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.02) USER MOD Single : A 65 SER OG : rot -56:sc= 1.4 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0.426 (180deg=0.367) USER MOD Single : A 73 TYR OH : rot -120:sc=-0.00834 USER MOD Single : A 79 GLN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc= 2.5 (180deg=2.2) USER MOD Single : A 84 TYR OH : rot 19:sc= 1.76 USER MOD Single : A 85 SER OG : rot -80:sc= 0.443 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.542 9.149 -3.841 1.00 0.00 N ATOM 2 CA VAL A 1 -11.408 8.947 -2.658 1.00 0.00 C ATOM 3 C VAL A 1 -10.635 8.551 -1.448 1.00 0.00 C ATOM 4 O VAL A 1 -10.413 7.371 -1.180 1.00 0.00 O ATOM 5 CB VAL A 1 -12.507 7.975 -2.973 1.00 0.00 C ATOM 6 CG1 VAL A 1 -13.641 8.683 -3.733 1.00 0.00 C ATOM 7 CG2 VAL A 1 -12.014 6.769 -3.790 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.128 9.171 -4.700 1.00 0.00 H new ATOM 0 H2 VAL A 1 -10.031 10.050 -3.747 1.00 0.00 H new ATOM 0 H3 VAL A 1 -9.858 8.368 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.867 9.906 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 1 -12.876 7.596 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.432 7.967 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -14.043 9.489 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -13.253 9.096 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -12.850 6.098 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -11.594 7.116 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -11.248 6.236 -3.226 1.00 0.00 H new ATOM 19 N SER A 2 -10.165 9.520 -0.642 1.00 0.00 N ATOM 20 CA SER A 2 -9.322 9.335 0.498 1.00 0.00 C ATOM 21 C SER A 2 -10.035 8.763 1.675 1.00 0.00 C ATOM 22 O SER A 2 -9.432 8.193 2.584 1.00 0.00 O ATOM 23 CB SER A 2 -8.628 10.643 0.914 1.00 0.00 C ATOM 24 OG SER A 2 -7.495 10.394 1.735 1.00 0.00 O ATOM 0 H SER A 2 -10.391 10.502 -0.799 1.00 0.00 H new ATOM 0 HA SER A 2 -8.573 8.611 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.320 11.192 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.335 11.276 1.450 1.00 0.00 H new ATOM 0 HG SER A 2 -7.076 11.245 1.981 1.00 0.00 H new ATOM 30 N GLN A 3 -11.377 8.838 1.706 1.00 0.00 N ATOM 31 CA GLN A 3 -12.146 8.165 2.707 1.00 0.00 C ATOM 32 C GLN A 3 -12.302 6.712 2.417 1.00 0.00 C ATOM 33 O GLN A 3 -12.074 5.840 3.254 1.00 0.00 O ATOM 34 CB GLN A 3 -13.527 8.827 2.848 1.00 0.00 C ATOM 35 CG GLN A 3 -14.363 8.259 3.997 1.00 0.00 C ATOM 36 CD GLN A 3 -15.596 9.119 4.235 1.00 0.00 C ATOM 37 OE1 GLN A 3 -15.568 10.337 4.065 1.00 0.00 O ATOM 38 NE2 GLN A 3 -16.710 8.468 4.665 1.00 0.00 N ATOM 0 H GLN A 3 -11.933 9.368 1.034 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.601 8.252 3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.394 9.898 3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.077 8.705 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.664 7.237 3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.762 8.216 4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.692 7.456 4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -17.564 8.991 4.859 1.00 0.00 H new ATOM 47 N LEU A 4 -12.638 6.383 1.157 1.00 0.00 N ATOM 48 CA LEU A 4 -12.762 5.035 0.696 1.00 0.00 C ATOM 49 C LEU A 4 -11.452 4.329 0.778 1.00 0.00 C ATOM 50 O LEU A 4 -11.388 3.156 1.146 1.00 0.00 O ATOM 51 CB LEU A 4 -13.223 4.934 -0.767 1.00 0.00 C ATOM 52 CG LEU A 4 -13.314 3.484 -1.274 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.380 2.672 -0.521 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.621 3.438 -2.780 1.00 0.00 C ATOM 0 H LEU A 4 -12.830 7.078 0.435 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.512 4.581 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.199 5.409 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.531 5.490 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.339 3.035 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.408 1.655 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.134 2.645 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.356 3.139 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.679 2.400 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.573 3.933 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.829 3.948 -3.328 1.00 0.00 H new ATOM 66 N PHE A 5 -10.358 5.054 0.489 1.00 0.00 N ATOM 67 CA PHE A 5 -9.002 4.630 0.657 1.00 0.00 C ATOM 68 C PHE A 5 -8.781 3.948 1.964 1.00 0.00 C ATOM 69 O PHE A 5 -8.220 2.854 2.009 1.00 0.00 O ATOM 70 CB PHE A 5 -8.075 5.842 0.465 1.00 0.00 C ATOM 71 CG PHE A 5 -6.653 5.566 0.815 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.821 4.944 -0.085 1.00 0.00 C ATOM 73 CD2 PHE A 5 -6.208 5.797 2.096 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.596 4.464 0.315 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.986 5.325 2.511 1.00 0.00 C ATOM 76 CZ PHE A 5 -4.193 4.640 1.618 1.00 0.00 C ATOM 0 H PHE A 5 -10.425 6.000 0.113 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.767 3.882 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.128 6.169 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.438 6.667 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.131 4.831 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.826 6.356 2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.956 3.953 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.652 5.489 3.525 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.245 4.237 1.944 1.00 0.00 H new ATOM 86 N GLU A 6 -9.275 4.517 3.079 1.00 0.00 N ATOM 87 CA GLU A 6 -9.053 3.952 4.373 1.00 0.00 C ATOM 88 C GLU A 6 -9.994 2.833 4.661 1.00 0.00 C ATOM 89 O GLU A 6 -9.569 1.793 5.163 1.00 0.00 O ATOM 90 CB GLU A 6 -9.116 4.992 5.504 1.00 0.00 C ATOM 91 CG GLU A 6 -7.850 5.851 5.504 1.00 0.00 C ATOM 92 CD GLU A 6 -7.755 6.779 6.707 1.00 0.00 C ATOM 93 OE1 GLU A 6 -8.623 7.681 6.846 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.792 6.644 7.510 1.00 0.00 O ATOM 0 H GLU A 6 -9.831 5.372 3.083 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.037 3.558 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.994 5.625 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.223 4.489 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.976 5.199 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.822 6.446 4.591 1.00 0.00 H new ATOM 101 N GLU A 7 -11.283 2.976 4.304 1.00 0.00 N ATOM 102 CA GLU A 7 -12.287 1.968 4.458 1.00 0.00 C ATOM 103 C GLU A 7 -11.927 0.684 3.792 1.00 0.00 C ATOM 104 O GLU A 7 -12.021 -0.400 4.364 1.00 0.00 O ATOM 105 CB GLU A 7 -13.633 2.495 3.933 1.00 0.00 C ATOM 106 CG GLU A 7 -14.762 1.463 3.884 1.00 0.00 C ATOM 107 CD GLU A 7 -16.144 2.057 3.652 1.00 0.00 C ATOM 108 OE1 GLU A 7 -16.453 3.150 4.196 1.00 0.00 O ATOM 109 OE2 GLU A 7 -16.957 1.429 2.922 1.00 0.00 O ATOM 0 H GLU A 7 -11.642 3.835 3.888 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.368 1.747 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.950 3.327 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.483 2.893 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.549 0.747 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.771 0.907 4.821 1.00 0.00 H new ATOM 116 N LYS A 8 -11.449 0.772 2.538 1.00 0.00 N ATOM 117 CA LYS A 8 -11.080 -0.342 1.721 1.00 0.00 C ATOM 118 C LYS A 8 -9.667 -0.788 1.881 1.00 0.00 C ATOM 119 O LYS A 8 -9.397 -1.977 1.712 1.00 0.00 O ATOM 120 CB LYS A 8 -11.451 -0.050 0.257 1.00 0.00 C ATOM 121 CG LYS A 8 -12.401 -1.089 -0.342 1.00 0.00 C ATOM 122 CD LYS A 8 -13.768 -1.125 0.344 1.00 0.00 C ATOM 123 CE LYS A 8 -14.746 -2.085 -0.336 1.00 0.00 C ATOM 124 NZ LYS A 8 -16.038 -2.095 0.389 1.00 0.00 N ATOM 0 H LYS A 8 -11.313 1.668 2.070 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.655 -1.200 2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.914 0.935 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.541 -0.012 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.540 -0.876 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.941 -2.075 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.640 -1.421 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.194 -0.122 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.904 -1.783 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.325 -3.090 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.695 -2.750 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.883 -2.404 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.444 -1.138 0.388 1.00 0.00 H new ATOM 138 N ALA A 9 -8.693 0.062 2.250 1.00 0.00 N ATOM 139 CA ALA A 9 -7.352 -0.388 2.462 1.00 0.00 C ATOM 140 C ALA A 9 -7.205 -1.286 3.641 1.00 0.00 C ATOM 141 O ALA A 9 -6.628 -2.372 3.602 1.00 0.00 O ATOM 142 CB ALA A 9 -6.383 0.776 2.724 1.00 0.00 C ATOM 0 H ALA A 9 -8.833 1.061 2.402 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.116 -0.919 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.378 0.385 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.382 1.449 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.701 1.321 3.613 1.00 0.00 H new ATOM 148 N LYS A 10 -7.788 -0.845 4.770 1.00 0.00 N ATOM 149 CA LYS A 10 -7.890 -1.612 5.972 1.00 0.00 C ATOM 150 C LYS A 10 -8.783 -2.798 5.843 1.00 0.00 C ATOM 151 O LYS A 10 -8.718 -3.716 6.659 1.00 0.00 O ATOM 152 CB LYS A 10 -8.398 -0.653 7.062 1.00 0.00 C ATOM 153 CG LYS A 10 -7.302 0.243 7.642 1.00 0.00 C ATOM 154 CD LYS A 10 -7.847 1.177 8.725 1.00 0.00 C ATOM 155 CE LYS A 10 -6.810 2.143 9.301 1.00 0.00 C ATOM 156 NZ LYS A 10 -5.763 1.429 10.065 1.00 0.00 N ATOM 0 H LYS A 10 -8.205 0.083 4.848 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.913 -2.027 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.187 -0.026 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.845 -1.235 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.510 -0.377 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.855 0.834 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.673 1.754 8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.256 0.575 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.348 2.707 8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.306 2.865 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.078 2.116 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.201 0.911 10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.273 0.758 9.439 1.00 0.00 H new ATOM 170 N ALA A 11 -9.625 -2.857 4.796 1.00 0.00 N ATOM 171 CA ALA A 11 -10.324 -4.043 4.410 1.00 0.00 C ATOM 172 C ALA A 11 -9.407 -5.026 3.769 1.00 0.00 C ATOM 173 O ALA A 11 -9.326 -6.161 4.233 1.00 0.00 O ATOM 174 CB ALA A 11 -11.524 -3.763 3.489 1.00 0.00 C ATOM 0 H ALA A 11 -9.826 -2.054 4.199 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.718 -4.470 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.012 -4.703 3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.233 -3.114 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.178 -3.273 2.579 1.00 0.00 H new ATOM 180 N VAL A 12 -8.659 -4.645 2.719 1.00 0.00 N ATOM 181 CA VAL A 12 -7.836 -5.521 1.944 1.00 0.00 C ATOM 182 C VAL A 12 -6.658 -6.049 2.687 1.00 0.00 C ATOM 183 O VAL A 12 -6.283 -7.208 2.515 1.00 0.00 O ATOM 184 CB VAL A 12 -7.459 -4.979 0.596 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.753 -4.813 -0.219 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.627 -3.687 0.652 1.00 0.00 C ATOM 0 H VAL A 12 -8.626 -3.679 2.394 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.481 -6.377 1.747 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.792 -5.689 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.513 -4.420 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.244 -5.781 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.420 -4.121 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.395 -3.359 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.195 -2.910 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.700 -3.874 1.194 1.00 0.00 H new ATOM 196 N ASN A 13 -6.078 -5.266 3.613 1.00 0.00 N ATOM 197 CA ASN A 13 -4.990 -5.708 4.428 1.00 0.00 C ATOM 198 C ASN A 13 -5.409 -6.595 5.551 1.00 0.00 C ATOM 199 O ASN A 13 -4.571 -7.148 6.261 1.00 0.00 O ATOM 200 CB ASN A 13 -4.222 -4.500 4.990 1.00 0.00 C ATOM 201 CG ASN A 13 -3.410 -3.850 3.877 1.00 0.00 C ATOM 202 OD1 ASN A 13 -2.429 -4.414 3.397 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.807 -2.624 3.444 1.00 0.00 N ATOM 0 H ASN A 13 -6.370 -4.307 3.799 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.347 -6.301 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.919 -3.778 5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.562 -4.819 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.287 -2.151 2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.625 -2.177 3.859 1.00 0.00 H new ATOM 210 N GLU A 14 -6.724 -6.779 5.760 1.00 0.00 N ATOM 211 CA GLU A 14 -7.274 -7.592 6.800 1.00 0.00 C ATOM 212 C GLU A 14 -8.139 -8.686 6.276 1.00 0.00 C ATOM 213 O GLU A 14 -8.742 -9.448 7.031 1.00 0.00 O ATOM 214 CB GLU A 14 -8.094 -6.677 7.724 1.00 0.00 C ATOM 215 CG GLU A 14 -8.214 -7.140 9.177 1.00 0.00 C ATOM 216 CD GLU A 14 -6.903 -6.951 9.928 1.00 0.00 C ATOM 217 OE1 GLU A 14 -6.509 -5.779 10.172 1.00 0.00 O ATOM 218 OE2 GLU A 14 -6.262 -7.968 10.305 1.00 0.00 O ATOM 0 H GLU A 14 -7.437 -6.341 5.177 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.456 -8.074 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.645 -5.684 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.097 -6.577 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.005 -6.580 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.503 -8.191 9.203 1.00 0.00 H new ATOM 225 N LEU A 15 -8.274 -8.831 4.946 1.00 0.00 N ATOM 226 CA LEU A 15 -9.254 -9.648 4.300 1.00 0.00 C ATOM 227 C LEU A 15 -8.971 -11.102 4.464 1.00 0.00 C ATOM 228 O LEU A 15 -7.818 -11.443 4.723 1.00 0.00 O ATOM 229 CB LEU A 15 -9.305 -9.213 2.827 1.00 0.00 C ATOM 230 CG LEU A 15 -10.659 -8.972 2.137 1.00 0.00 C ATOM 231 CD1 LEU A 15 -11.757 -8.355 3.018 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.488 -8.053 0.915 1.00 0.00 C ATOM 0 H LEU A 15 -7.664 -8.351 4.284 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.232 -9.507 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.731 -8.290 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.778 -9.971 2.248 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.989 -9.975 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.667 -8.229 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.959 -9.014 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.425 -7.384 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.456 -7.895 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.079 -7.094 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.807 -8.518 0.202 1.00 0.00 H new ATOM 244 N PRO A 16 -9.876 -12.032 4.384 1.00 0.00 N ATOM 245 CA PRO A 16 -9.582 -13.420 4.588 1.00 0.00 C ATOM 246 C PRO A 16 -8.875 -13.995 3.410 1.00 0.00 C ATOM 247 O PRO A 16 -8.161 -14.990 3.536 1.00 0.00 O ATOM 248 CB PRO A 16 -10.954 -14.062 4.786 1.00 0.00 C ATOM 249 CG PRO A 16 -11.915 -13.193 3.957 1.00 0.00 C ATOM 250 CD PRO A 16 -11.284 -11.799 4.100 1.00 0.00 C ATOM 0 HA PRO A 16 -8.919 -13.591 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.960 -15.097 4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.238 -14.073 5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.963 -13.515 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.932 -13.223 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.408 -11.217 3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.758 -11.235 4.904 1.00 0.00 H new ATOM 258 N THR A 17 -9.014 -13.346 2.240 1.00 0.00 N ATOM 259 CA THR A 17 -8.325 -13.661 1.027 1.00 0.00 C ATOM 260 C THR A 17 -7.156 -12.738 0.996 1.00 0.00 C ATOM 261 O THR A 17 -7.050 -11.845 0.156 1.00 0.00 O ATOM 262 CB THR A 17 -9.197 -13.450 -0.175 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.458 -14.082 -0.012 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.603 -14.012 -1.478 1.00 0.00 C ATOM 0 H THR A 17 -9.647 -12.553 2.135 1.00 0.00 H new ATOM 0 HA THR A 17 -8.027 -14.709 0.999 1.00 0.00 H new ATOM 0 HB THR A 17 -9.287 -12.367 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.163 -13.402 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.290 -13.822 -2.303 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.648 -13.527 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.449 -15.086 -1.374 1.00 0.00 H new ATOM 272 N LYS A 18 -6.262 -12.894 1.989 1.00 0.00 N ATOM 273 CA LYS A 18 -5.160 -12.046 2.318 1.00 0.00 C ATOM 274 C LYS A 18 -4.268 -11.731 1.167 1.00 0.00 C ATOM 275 O LYS A 18 -4.103 -12.624 0.338 1.00 0.00 O ATOM 276 CB LYS A 18 -4.303 -12.686 3.424 1.00 0.00 C ATOM 277 CG LYS A 18 -5.048 -13.121 4.687 1.00 0.00 C ATOM 278 CD LYS A 18 -4.088 -13.813 5.655 1.00 0.00 C ATOM 279 CE LYS A 18 -4.729 -14.714 6.712 1.00 0.00 C ATOM 280 NZ LYS A 18 -5.448 -13.937 7.747 1.00 0.00 N ATOM 0 H LYS A 18 -6.319 -13.693 2.621 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.611 -11.111 2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.799 -13.557 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.527 -11.976 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.499 -12.254 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.861 -13.798 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.387 -14.412 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.505 -13.047 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.423 -15.401 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.958 -15.321 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.866 -14.588 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.782 -13.299 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.202 -13.377 7.300 1.00 0.00 H new ATOM 294 N PRO A 19 -3.673 -10.588 0.989 1.00 0.00 N ATOM 295 CA PRO A 19 -3.291 -10.106 -0.306 1.00 0.00 C ATOM 296 C PRO A 19 -2.351 -10.931 -1.116 1.00 0.00 C ATOM 297 O PRO A 19 -1.371 -11.447 -0.581 1.00 0.00 O ATOM 298 CB PRO A 19 -2.644 -8.749 -0.033 1.00 0.00 C ATOM 299 CG PRO A 19 -3.419 -8.228 1.188 1.00 0.00 C ATOM 300 CD PRO A 19 -3.660 -9.522 1.980 1.00 0.00 C ATOM 0 HA PRO A 19 -4.191 -10.104 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.579 -8.846 0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.740 -8.078 -0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.842 -7.500 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.352 -7.742 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.874 -9.682 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.604 -9.480 2.523 1.00 0.00 H new ATOM 308 N SER A 20 -2.623 -11.080 -2.425 1.00 0.00 N ATOM 309 CA SER A 20 -1.890 -11.918 -3.323 1.00 0.00 C ATOM 310 C SER A 20 -0.602 -11.296 -3.739 1.00 0.00 C ATOM 311 O SER A 20 -0.484 -10.076 -3.835 1.00 0.00 O ATOM 312 CB SER A 20 -2.682 -12.245 -4.600 1.00 0.00 C ATOM 313 OG SER A 20 -3.800 -13.073 -4.316 1.00 0.00 O ATOM 0 H SER A 20 -3.394 -10.591 -2.880 1.00 0.00 H new ATOM 0 HA SER A 20 -1.701 -12.835 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.021 -11.320 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.030 -12.744 -5.317 1.00 0.00 H new ATOM 0 HG SER A 20 -4.286 -13.263 -5.146 1.00 0.00 H new ATOM 319 N THR A 21 0.436 -12.114 -3.986 1.00 0.00 N ATOM 320 CA THR A 21 1.807 -11.709 -3.968 1.00 0.00 C ATOM 321 C THR A 21 2.225 -10.674 -4.955 1.00 0.00 C ATOM 322 O THR A 21 2.885 -9.710 -4.570 1.00 0.00 O ATOM 323 CB THR A 21 2.730 -12.890 -3.916 1.00 0.00 C ATOM 324 OG1 THR A 21 4.079 -12.541 -3.641 1.00 0.00 O ATOM 325 CG2 THR A 21 2.715 -13.708 -5.218 1.00 0.00 C ATOM 0 H THR A 21 0.314 -13.102 -4.208 1.00 0.00 H new ATOM 0 HA THR A 21 1.899 -11.159 -3.031 1.00 0.00 H new ATOM 0 HB THR A 21 2.342 -13.490 -3.093 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.629 -13.352 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.400 -14.551 -5.126 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.707 -14.079 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.027 -13.075 -6.049 1.00 0.00 H new ATOM 333 N ASP A 22 1.851 -10.755 -6.245 1.00 0.00 N ATOM 334 CA ASP A 22 2.184 -9.766 -7.222 1.00 0.00 C ATOM 335 C ASP A 22 1.377 -8.521 -7.079 1.00 0.00 C ATOM 336 O ASP A 22 1.811 -7.424 -7.428 1.00 0.00 O ATOM 337 CB ASP A 22 1.975 -10.282 -8.656 1.00 0.00 C ATOM 338 CG ASP A 22 2.887 -11.444 -9.025 1.00 0.00 C ATOM 339 OD1 ASP A 22 4.117 -11.244 -9.209 1.00 0.00 O ATOM 340 OD2 ASP A 22 2.364 -12.578 -9.185 1.00 0.00 O ATOM 0 H ASP A 22 1.302 -11.530 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 22 3.236 -9.544 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.937 -10.594 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.142 -9.463 -9.356 1.00 0.00 H new ATOM 345 N GLU A 23 0.146 -8.635 -6.550 1.00 0.00 N ATOM 346 CA GLU A 23 -0.796 -7.571 -6.391 1.00 0.00 C ATOM 347 C GLU A 23 -0.436 -6.709 -5.231 1.00 0.00 C ATOM 348 O GLU A 23 -0.429 -5.484 -5.339 1.00 0.00 O ATOM 349 CB GLU A 23 -2.241 -8.082 -6.270 1.00 0.00 C ATOM 350 CG GLU A 23 -2.730 -8.815 -7.522 1.00 0.00 C ATOM 351 CD GLU A 23 -4.223 -9.111 -7.510 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.700 -9.812 -6.578 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.934 -8.662 -8.448 1.00 0.00 O ATOM 0 H GLU A 23 -0.214 -9.528 -6.212 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.748 -6.967 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.311 -8.753 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.902 -7.239 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.494 -8.214 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.183 -9.753 -7.621 1.00 0.00 H new ATOM 360 N LEU A 24 -0.060 -7.316 -4.091 1.00 0.00 N ATOM 361 CA LEU A 24 0.445 -6.712 -2.897 1.00 0.00 C ATOM 362 C LEU A 24 1.529 -5.706 -3.080 1.00 0.00 C ATOM 363 O LEU A 24 1.550 -4.672 -2.414 1.00 0.00 O ATOM 364 CB LEU A 24 0.940 -7.864 -2.005 1.00 0.00 C ATOM 365 CG LEU A 24 1.487 -7.501 -0.615 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.533 -6.592 0.177 1.00 0.00 C ATOM 367 CD2 LEU A 24 1.744 -8.819 0.137 1.00 0.00 C ATOM 0 H LEU A 24 -0.116 -8.330 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.367 -6.134 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.115 -8.563 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.723 -8.396 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 24 2.409 -6.930 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.969 -6.367 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.374 -5.664 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.422 -7.099 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.134 -8.601 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.810 -9.374 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.470 -9.417 -0.414 1.00 0.00 H new ATOM 379 N LEU A 25 2.474 -5.928 -4.011 1.00 0.00 N ATOM 380 CA LEU A 25 3.527 -5.018 -4.336 1.00 0.00 C ATOM 381 C LEU A 25 3.105 -3.721 -4.935 1.00 0.00 C ATOM 382 O LEU A 25 3.580 -2.650 -4.560 1.00 0.00 O ATOM 383 CB LEU A 25 4.443 -5.719 -5.354 1.00 0.00 C ATOM 384 CG LEU A 25 5.026 -7.050 -4.847 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.967 -7.632 -5.915 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.731 -6.923 -3.487 1.00 0.00 C ATOM 0 H LEU A 25 2.505 -6.785 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 25 4.007 -4.767 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.880 -5.904 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.263 -5.049 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 25 4.194 -7.734 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.382 -8.575 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.410 -7.805 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.777 -6.929 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.119 -7.896 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.554 -6.213 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.020 -6.570 -2.740 1.00 0.00 H new ATOM 398 N GLU A 26 2.177 -3.775 -5.908 1.00 0.00 N ATOM 399 CA GLU A 26 1.560 -2.633 -6.509 1.00 0.00 C ATOM 400 C GLU A 26 0.706 -1.922 -5.517 1.00 0.00 C ATOM 401 O GLU A 26 0.771 -0.706 -5.344 1.00 0.00 O ATOM 402 CB GLU A 26 0.732 -3.071 -7.729 1.00 0.00 C ATOM 403 CG GLU A 26 0.307 -1.953 -8.684 1.00 0.00 C ATOM 404 CD GLU A 26 1.430 -1.436 -9.573 1.00 0.00 C ATOM 405 OE1 GLU A 26 2.056 -2.242 -10.312 1.00 0.00 O ATOM 406 OE2 GLU A 26 1.685 -0.203 -9.588 1.00 0.00 O ATOM 0 H GLU A 26 1.841 -4.657 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 26 2.335 -1.943 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.310 -3.804 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.164 -3.578 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.504 -2.317 -9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.092 -1.123 -8.101 1.00 0.00 H new ATOM 413 N LEU A 27 -0.093 -2.689 -4.752 1.00 0.00 N ATOM 414 CA LEU A 27 -0.975 -2.255 -3.715 1.00 0.00 C ATOM 415 C LEU A 27 -0.280 -1.562 -2.594 1.00 0.00 C ATOM 416 O LEU A 27 -0.743 -0.519 -2.136 1.00 0.00 O ATOM 417 CB LEU A 27 -1.783 -3.483 -3.262 1.00 0.00 C ATOM 418 CG LEU A 27 -2.938 -3.296 -2.264 1.00 0.00 C ATOM 419 CD1 LEU A 27 -2.452 -3.263 -0.806 1.00 0.00 C ATOM 420 CD2 LEU A 27 -3.832 -2.100 -2.632 1.00 0.00 C ATOM 0 H LEU A 27 -0.122 -3.701 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.647 -1.489 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.195 -3.952 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.082 -4.193 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.572 -4.179 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.305 -3.129 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.950 -4.201 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.755 -2.435 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.634 -2.006 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.236 -1.188 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.261 -2.257 -3.622 1.00 0.00 H new ATOM 432 N TYR A 28 0.880 -2.072 -2.143 1.00 0.00 N ATOM 433 CA TYR A 28 1.792 -1.486 -1.209 1.00 0.00 C ATOM 434 C TYR A 28 2.121 -0.078 -1.569 1.00 0.00 C ATOM 435 O TYR A 28 1.915 0.810 -0.743 1.00 0.00 O ATOM 436 CB TYR A 28 3.068 -2.328 -1.055 1.00 0.00 C ATOM 437 CG TYR A 28 4.146 -1.750 -0.203 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.983 -0.783 -0.706 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.335 -2.171 1.092 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.949 -0.193 0.073 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.357 -1.656 1.854 1.00 0.00 C ATOM 442 CZ TYR A 28 6.160 -0.661 1.348 1.00 0.00 C ATOM 443 OH TYR A 28 7.175 -0.118 2.164 1.00 0.00 O ATOM 0 H TYR A 28 1.209 -2.982 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 28 1.288 -1.471 -0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.789 -3.298 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.479 -2.510 -2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.879 -0.480 -1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.674 -2.913 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.535 0.628 -0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.529 -2.033 2.851 1.00 0.00 H new ATOM 0 HH TYR A 28 7.175 0.858 2.080 1.00 0.00 H new ATOM 453 N ALA A 29 2.613 0.182 -2.794 1.00 0.00 N ATOM 454 CA ALA A 29 2.936 1.497 -3.254 1.00 0.00 C ATOM 455 C ALA A 29 1.857 2.495 -3.008 1.00 0.00 C ATOM 456 O ALA A 29 2.100 3.538 -2.402 1.00 0.00 O ATOM 457 CB ALA A 29 3.334 1.455 -4.738 1.00 0.00 C ATOM 0 H ALA A 29 2.792 -0.546 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 29 3.787 1.838 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.578 2.462 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.203 0.809 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.504 1.065 -5.326 1.00 0.00 H new ATOM 463 N LEU A 30 0.607 2.186 -3.396 1.00 0.00 N ATOM 464 CA LEU A 30 -0.493 3.090 -3.255 1.00 0.00 C ATOM 465 C LEU A 30 -1.041 3.191 -1.874 1.00 0.00 C ATOM 466 O LEU A 30 -1.407 4.264 -1.398 1.00 0.00 O ATOM 467 CB LEU A 30 -1.633 2.675 -4.201 1.00 0.00 C ATOM 468 CG LEU A 30 -1.414 2.937 -5.700 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.425 4.437 -6.042 1.00 0.00 C ATOM 470 CD2 LEU A 30 -0.248 2.213 -6.394 1.00 0.00 C ATOM 0 H LEU A 30 0.355 1.291 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.092 4.072 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.818 1.609 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.539 3.197 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.291 2.456 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.266 4.567 -7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.387 4.867 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.630 4.941 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.219 2.496 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.691 2.494 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.388 1.135 -6.312 1.00 0.00 H new ATOM 482 N TYR A 31 -1.122 2.069 -1.137 1.00 0.00 N ATOM 483 CA TYR A 31 -1.542 2.049 0.230 1.00 0.00 C ATOM 484 C TYR A 31 -0.628 2.854 1.089 1.00 0.00 C ATOM 485 O TYR A 31 -1.035 3.795 1.767 1.00 0.00 O ATOM 486 CB TYR A 31 -1.683 0.614 0.767 1.00 0.00 C ATOM 487 CG TYR A 31 -2.065 0.595 2.206 1.00 0.00 C ATOM 488 CD1 TYR A 31 -3.120 1.320 2.709 1.00 0.00 C ATOM 489 CD2 TYR A 31 -1.231 -0.061 3.081 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.365 1.367 4.062 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.453 0.005 4.436 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.507 0.736 4.931 1.00 0.00 C ATOM 493 OH TYR A 31 -2.658 0.944 6.319 1.00 0.00 O ATOM 0 H TYR A 31 -0.888 1.146 -1.504 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.530 2.508 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.434 0.081 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.741 0.082 0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.765 1.860 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.396 -0.632 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.227 1.897 4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.797 -0.520 5.115 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.978 0.430 6.803 1.00 0.00 H new ATOM 503 N LYS A 32 0.684 2.552 1.093 1.00 0.00 N ATOM 504 CA LYS A 32 1.671 3.299 1.808 1.00 0.00 C ATOM 505 C LYS A 32 1.707 4.735 1.413 1.00 0.00 C ATOM 506 O LYS A 32 1.754 5.603 2.283 1.00 0.00 O ATOM 507 CB LYS A 32 3.048 2.621 1.710 1.00 0.00 C ATOM 508 CG LYS A 32 3.100 1.202 2.279 1.00 0.00 C ATOM 509 CD LYS A 32 2.707 1.037 3.748 1.00 0.00 C ATOM 510 CE LYS A 32 3.422 2.012 4.687 1.00 0.00 C ATOM 511 NZ LYS A 32 3.261 1.615 6.103 1.00 0.00 N ATOM 0 H LYS A 32 1.070 1.759 0.580 1.00 0.00 H new ATOM 0 HA LYS A 32 1.381 3.298 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.350 2.590 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.779 3.236 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.446 0.570 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.114 0.822 2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.630 1.176 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.927 0.016 4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.482 2.049 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.025 3.017 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.757 2.296 6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.250 1.603 6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.662 0.666 6.245 1.00 0.00 H new ATOM 525 N GLN A 33 1.567 5.040 0.111 1.00 0.00 N ATOM 526 CA GLN A 33 1.408 6.362 -0.410 1.00 0.00 C ATOM 527 C GLN A 33 0.422 7.227 0.297 1.00 0.00 C ATOM 528 O GLN A 33 0.790 8.267 0.838 1.00 0.00 O ATOM 529 CB GLN A 33 0.991 6.387 -1.890 1.00 0.00 C ATOM 530 CG GLN A 33 2.150 6.521 -2.879 1.00 0.00 C ATOM 531 CD GLN A 33 1.612 6.360 -4.294 1.00 0.00 C ATOM 532 OE1 GLN A 33 0.794 7.159 -4.750 1.00 0.00 O ATOM 533 NE2 GLN A 33 2.049 5.285 -5.002 1.00 0.00 N ATOM 0 H GLN A 33 1.565 4.326 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 33 2.411 6.762 -0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.444 5.471 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.301 7.217 -2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.631 7.493 -2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.908 5.765 -2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.728 4.645 -4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.698 5.119 -5.945 1.00 0.00 H new ATOM 542 N ALA A 34 -0.870 6.851 0.334 1.00 0.00 N ATOM 543 CA ALA A 34 -1.862 7.693 0.926 1.00 0.00 C ATOM 544 C ALA A 34 -1.974 7.502 2.400 1.00 0.00 C ATOM 545 O ALA A 34 -2.535 8.359 3.080 1.00 0.00 O ATOM 546 CB ALA A 34 -3.231 7.584 0.235 1.00 0.00 C ATOM 0 H ALA A 34 -1.225 5.972 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.511 8.712 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.942 8.246 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.134 7.872 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.589 6.556 0.297 1.00 0.00 H new ATOM 552 N THR A 35 -1.409 6.421 2.967 1.00 0.00 N ATOM 553 CA THR A 35 -1.298 6.238 4.381 1.00 0.00 C ATOM 554 C THR A 35 -0.499 7.317 5.027 1.00 0.00 C ATOM 555 O THR A 35 -1.004 8.059 5.870 1.00 0.00 O ATOM 556 CB THR A 35 -0.718 4.905 4.749 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.629 3.882 4.374 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.547 4.749 6.270 1.00 0.00 C ATOM 0 H THR A 35 -1.017 5.651 2.425 1.00 0.00 H new ATOM 0 HA THR A 35 -2.321 6.282 4.756 1.00 0.00 H new ATOM 0 HB THR A 35 0.246 4.834 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.539 3.699 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.124 3.769 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.122 5.525 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.518 4.843 6.757 1.00 0.00 H new ATOM 566 N VAL A 36 0.778 7.480 4.640 1.00 0.00 N ATOM 567 CA VAL A 36 1.605 8.516 5.177 1.00 0.00 C ATOM 568 C VAL A 36 1.480 9.805 4.440 1.00 0.00 C ATOM 569 O VAL A 36 1.345 10.874 5.032 1.00 0.00 O ATOM 570 CB VAL A 36 3.045 8.110 5.286 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.532 7.312 4.064 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.989 9.278 5.619 1.00 0.00 C ATOM 0 H VAL A 36 1.241 6.889 3.949 1.00 0.00 H new ATOM 0 HA VAL A 36 1.228 8.680 6.186 1.00 0.00 H new ATOM 0 HB VAL A 36 3.084 7.437 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.580 7.045 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.937 6.405 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.424 7.920 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.013 8.911 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.922 10.034 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.701 9.717 6.574 1.00 0.00 H new ATOM 582 N GLY A 37 1.539 9.757 3.097 1.00 0.00 N ATOM 583 CA GLY A 37 1.494 10.912 2.255 1.00 0.00 C ATOM 584 C GLY A 37 2.810 11.314 1.682 1.00 0.00 C ATOM 585 O GLY A 37 2.896 12.338 1.005 1.00 0.00 O ATOM 0 H GLY A 37 1.621 8.882 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.799 10.722 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.091 11.747 2.828 1.00 0.00 H new ATOM 589 N ASP A 38 3.866 10.516 1.922 1.00 0.00 N ATOM 590 CA ASP A 38 5.179 10.719 1.394 1.00 0.00 C ATOM 591 C ASP A 38 5.757 9.373 1.120 1.00 0.00 C ATOM 592 O ASP A 38 5.240 8.364 1.598 1.00 0.00 O ATOM 593 CB ASP A 38 6.095 11.380 2.439 1.00 0.00 C ATOM 594 CG ASP A 38 5.656 12.805 2.744 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.756 13.680 1.842 1.00 0.00 O ATOM 596 OD2 ASP A 38 5.244 13.073 3.904 1.00 0.00 O ATOM 0 H ASP A 38 3.800 9.688 2.514 1.00 0.00 H new ATOM 0 HA ASP A 38 5.113 11.350 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.086 10.791 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.122 11.385 2.073 1.00 0.00 H new ATOM 601 N ASN A 39 6.898 9.284 0.413 1.00 0.00 N ATOM 602 CA ASN A 39 7.738 8.130 0.495 1.00 0.00 C ATOM 603 C ASN A 39 8.478 8.050 1.785 1.00 0.00 C ATOM 604 O ASN A 39 9.593 8.541 1.953 1.00 0.00 O ATOM 605 CB ASN A 39 8.670 7.936 -0.712 1.00 0.00 C ATOM 606 CG ASN A 39 9.716 9.025 -0.902 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.512 10.218 -0.682 1.00 0.00 O ATOM 608 ND2 ASN A 39 10.924 8.591 -1.354 1.00 0.00 N ATOM 0 H ASN A 39 7.239 10.012 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 39 7.046 7.288 0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.180 6.978 -0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.062 7.876 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.678 9.259 -1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.075 7.598 -1.531 1.00 0.00 H new ATOM 615 N ASP A 40 7.858 7.417 2.797 1.00 0.00 N ATOM 616 CA ASP A 40 8.366 7.319 4.131 1.00 0.00 C ATOM 617 C ASP A 40 9.518 6.385 4.270 1.00 0.00 C ATOM 618 O ASP A 40 10.656 6.808 4.467 1.00 0.00 O ATOM 619 CB ASP A 40 7.175 7.016 5.056 1.00 0.00 C ATOM 620 CG ASP A 40 7.528 6.970 6.536 1.00 0.00 C ATOM 621 OD1 ASP A 40 8.201 7.909 7.036 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.127 5.978 7.203 1.00 0.00 O ATOM 0 H ASP A 40 6.958 6.951 2.679 1.00 0.00 H new ATOM 0 HA ASP A 40 8.813 8.267 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.407 7.774 4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.741 6.059 4.768 1.00 0.00 H new ATOM 627 N LYS A 41 9.264 5.064 4.252 1.00 0.00 N ATOM 628 CA LYS A 41 10.128 4.192 4.985 1.00 0.00 C ATOM 629 C LYS A 41 11.361 3.694 4.313 1.00 0.00 C ATOM 630 O LYS A 41 11.486 2.537 3.916 1.00 0.00 O ATOM 631 CB LYS A 41 9.259 3.028 5.489 1.00 0.00 C ATOM 632 CG LYS A 41 9.614 2.752 6.952 1.00 0.00 C ATOM 633 CD LYS A 41 8.521 1.994 7.708 1.00 0.00 C ATOM 634 CE LYS A 41 7.231 2.790 7.908 1.00 0.00 C ATOM 635 NZ LYS A 41 7.409 3.935 8.829 1.00 0.00 N ATOM 0 H LYS A 41 8.496 4.614 3.754 1.00 0.00 H new ATOM 0 HA LYS A 41 10.557 4.797 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.202 3.277 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.431 2.138 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.539 2.177 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.805 3.699 7.457 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.289 1.077 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.907 1.698 8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.880 3.155 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.457 2.130 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.542 4.070 9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.207 3.745 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.604 4.796 8.279 1.00 0.00 H new ATOM 649 N GLU A 42 12.400 4.547 4.318 1.00 0.00 N ATOM 650 CA GLU A 42 13.676 4.350 3.704 1.00 0.00 C ATOM 651 C GLU A 42 14.579 3.516 4.546 1.00 0.00 C ATOM 652 O GLU A 42 15.798 3.676 4.607 1.00 0.00 O ATOM 653 CB GLU A 42 14.218 5.758 3.407 1.00 0.00 C ATOM 654 CG GLU A 42 15.417 5.835 2.459 1.00 0.00 C ATOM 655 CD GLU A 42 15.932 7.257 2.285 1.00 0.00 C ATOM 656 OE1 GLU A 42 16.007 8.016 3.288 1.00 0.00 O ATOM 657 OE2 GLU A 42 16.311 7.622 1.140 1.00 0.00 O ATOM 0 H GLU A 42 12.341 5.449 4.791 1.00 0.00 H new ATOM 0 HA GLU A 42 13.600 3.780 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.409 6.354 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.498 6.224 4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.220 5.205 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.133 5.433 1.486 1.00 0.00 H new ATOM 664 N LYS A 43 13.979 2.518 5.217 1.00 0.00 N ATOM 665 CA LYS A 43 14.628 1.423 5.869 1.00 0.00 C ATOM 666 C LYS A 43 14.029 0.149 5.381 1.00 0.00 C ATOM 667 O LYS A 43 13.299 -0.495 6.132 1.00 0.00 O ATOM 668 CB LYS A 43 14.507 1.465 7.401 1.00 0.00 C ATOM 669 CG LYS A 43 15.176 2.638 8.120 1.00 0.00 C ATOM 670 CD LYS A 43 14.292 3.880 8.244 1.00 0.00 C ATOM 671 CE LYS A 43 14.731 4.885 9.311 1.00 0.00 C ATOM 672 NZ LYS A 43 16.075 5.432 9.025 1.00 0.00 N ATOM 0 H LYS A 43 12.964 2.474 5.310 1.00 0.00 H new ATOM 0 HA LYS A 43 15.688 1.493 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.447 1.471 7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.926 0.541 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.474 2.316 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 43 16.088 2.906 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.266 4.386 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.273 3.561 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.009 5.700 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.735 4.401 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.340 6.109 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.767 4.656 9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.064 5.915 8.104 1.00 0.00 H new ATOM 686 N PRO A 44 14.235 -0.303 4.179 1.00 0.00 N ATOM 687 CA PRO A 44 13.771 -1.583 3.732 1.00 0.00 C ATOM 688 C PRO A 44 14.724 -2.665 4.108 1.00 0.00 C ATOM 689 O PRO A 44 15.521 -2.459 5.022 1.00 0.00 O ATOM 690 CB PRO A 44 13.681 -1.360 2.223 1.00 0.00 C ATOM 691 CG PRO A 44 14.892 -0.474 1.896 1.00 0.00 C ATOM 692 CD PRO A 44 14.910 0.444 3.128 1.00 0.00 C ATOM 0 HA PRO A 44 12.829 -1.909 4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.720 -2.304 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.746 -0.872 1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.812 -1.050 1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.760 0.081 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.931 0.693 3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.398 1.385 2.924 1.00 0.00 H new ATOM 700 N GLY A 45 14.743 -3.849 3.469 1.00 0.00 N ATOM 701 CA GLY A 45 15.733 -4.829 3.787 1.00 0.00 C ATOM 702 C GLY A 45 17.079 -4.561 3.206 1.00 0.00 C ATOM 703 O GLY A 45 17.329 -3.578 2.510 1.00 0.00 O ATOM 0 H GLY A 45 14.082 -4.125 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.826 -4.894 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.388 -5.802 3.437 1.00 0.00 H new ATOM 707 N ILE A 46 18.015 -5.490 3.470 1.00 0.00 N ATOM 708 CA ILE A 46 19.360 -5.432 2.988 1.00 0.00 C ATOM 709 C ILE A 46 19.530 -6.418 1.884 1.00 0.00 C ATOM 710 O ILE A 46 20.013 -6.083 0.803 1.00 0.00 O ATOM 711 CB ILE A 46 20.383 -5.564 4.077 1.00 0.00 C ATOM 712 CG1 ILE A 46 20.144 -6.741 5.039 1.00 0.00 C ATOM 713 CG2 ILE A 46 20.365 -4.249 4.873 1.00 0.00 C ATOM 714 CD1 ILE A 46 21.309 -6.986 5.996 1.00 0.00 C ATOM 0 H ILE A 46 17.828 -6.314 4.042 1.00 0.00 H new ATOM 0 HA ILE A 46 19.542 -4.437 2.582 1.00 0.00 H new ATOM 0 HB ILE A 46 21.344 -5.766 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.241 -6.550 5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 46 19.964 -7.645 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 46 21.097 -4.301 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 46 20.613 -3.419 4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.372 -4.093 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 46 21.075 -7.829 6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.210 -7.208 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.475 -6.096 6.602 1.00 0.00 H new ATOM 726 N PHE A 47 19.071 -7.666 2.089 1.00 0.00 N ATOM 727 CA PHE A 47 19.049 -8.729 1.133 1.00 0.00 C ATOM 728 C PHE A 47 17.659 -8.982 0.662 1.00 0.00 C ATOM 729 O PHE A 47 17.276 -10.117 0.380 1.00 0.00 O ATOM 730 CB PHE A 47 19.682 -10.000 1.726 1.00 0.00 C ATOM 731 CG PHE A 47 19.336 -10.223 3.158 1.00 0.00 C ATOM 732 CD1 PHE A 47 18.030 -10.335 3.574 1.00 0.00 C ATOM 733 CD2 PHE A 47 20.333 -10.247 4.104 1.00 0.00 C ATOM 734 CE1 PHE A 47 17.715 -10.341 4.913 1.00 0.00 C ATOM 735 CE2 PHE A 47 20.033 -10.288 5.445 1.00 0.00 C ATOM 736 CZ PHE A 47 18.719 -10.294 5.851 1.00 0.00 C ATOM 0 H PHE A 47 18.687 -7.951 2.990 1.00 0.00 H new ATOM 0 HA PHE A 47 19.643 -8.433 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.359 -10.863 1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 47 20.766 -9.937 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 47 17.242 -10.419 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 47 21.366 -10.233 3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 47 16.682 -10.382 5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 47 20.826 -10.315 6.177 1.00 0.00 H new ATOM 0 HZ PHE A 47 18.477 -10.262 6.903 1.00 0.00 H new ATOM 746 N ASN A 48 16.797 -7.955 0.560 1.00 0.00 N ATOM 747 CA ASN A 48 15.439 -8.147 0.159 1.00 0.00 C ATOM 748 C ASN A 48 15.341 -8.215 -1.326 1.00 0.00 C ATOM 749 O ASN A 48 16.083 -7.538 -2.035 1.00 0.00 O ATOM 750 CB ASN A 48 14.485 -7.077 0.717 1.00 0.00 C ATOM 751 CG ASN A 48 13.114 -7.630 1.077 1.00 0.00 C ATOM 752 OD1 ASN A 48 12.110 -7.300 0.448 1.00 0.00 O ATOM 753 ND2 ASN A 48 13.039 -8.500 2.119 1.00 0.00 N ATOM 0 H ASN A 48 17.043 -6.985 0.757 1.00 0.00 H new ATOM 0 HA ASN A 48 15.119 -9.097 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.932 -6.626 1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.368 -6.283 -0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.138 -8.892 2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.884 -8.761 2.628 1.00 0.00 H new ATOM 760 N MET A 49 14.414 -9.014 -1.886 1.00 0.00 N ATOM 761 CA MET A 49 14.113 -8.983 -3.284 1.00 0.00 C ATOM 762 C MET A 49 12.892 -8.157 -3.499 1.00 0.00 C ATOM 763 O MET A 49 12.754 -7.422 -4.476 1.00 0.00 O ATOM 764 CB MET A 49 13.906 -10.402 -3.841 1.00 0.00 C ATOM 765 CG MET A 49 13.795 -10.467 -5.365 1.00 0.00 C ATOM 766 SD MET A 49 15.278 -9.859 -6.224 1.00 0.00 S ATOM 767 CE MET A 49 14.569 -9.939 -7.894 1.00 0.00 C ATOM 0 H MET A 49 13.864 -9.693 -1.359 1.00 0.00 H new ATOM 0 HA MET A 49 14.955 -8.542 -3.817 1.00 0.00 H new ATOM 0 HB2 MET A 49 14.737 -11.031 -3.521 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.001 -10.824 -3.404 1.00 0.00 H new ATOM 0 HG2 MET A 49 13.608 -11.498 -5.665 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.933 -9.881 -5.684 1.00 0.00 H new ATOM 0 HE1 MET A 49 15.310 -9.605 -8.620 1.00 0.00 H new ATOM 0 HE2 MET A 49 14.279 -10.966 -8.117 1.00 0.00 H new ATOM 0 HE3 MET A 49 13.692 -9.294 -7.948 1.00 0.00 H new ATOM 777 N LYS A 50 11.937 -8.223 -2.556 1.00 0.00 N ATOM 778 CA LYS A 50 10.670 -7.569 -2.669 1.00 0.00 C ATOM 779 C LYS A 50 10.690 -6.092 -2.472 1.00 0.00 C ATOM 780 O LYS A 50 9.912 -5.389 -3.114 1.00 0.00 O ATOM 781 CB LYS A 50 9.652 -8.265 -1.751 1.00 0.00 C ATOM 782 CG LYS A 50 9.261 -9.652 -2.267 1.00 0.00 C ATOM 783 CD LYS A 50 8.160 -10.289 -1.418 1.00 0.00 C ATOM 784 CE LYS A 50 7.671 -11.657 -1.900 1.00 0.00 C ATOM 785 NZ LYS A 50 8.755 -12.661 -1.844 1.00 0.00 N ATOM 0 H LYS A 50 12.049 -8.747 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 50 10.365 -7.674 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.072 -8.357 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.759 -7.646 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.922 -9.572 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.138 -10.299 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.525 -10.392 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.309 -9.608 -1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.835 -11.986 -1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.300 -11.575 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.387 -13.586 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.528 -12.373 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.114 -12.730 -0.870 1.00 0.00 H new ATOM 799 N ASP A 51 11.575 -5.521 -1.635 1.00 0.00 N ATOM 800 CA ASP A 51 11.711 -4.109 -1.451 1.00 0.00 C ATOM 801 C ASP A 51 12.103 -3.378 -2.688 1.00 0.00 C ATOM 802 O ASP A 51 11.674 -2.262 -2.977 1.00 0.00 O ATOM 803 CB ASP A 51 12.605 -3.738 -0.256 1.00 0.00 C ATOM 804 CG ASP A 51 14.102 -3.530 -0.443 1.00 0.00 C ATOM 805 OD1 ASP A 51 14.543 -2.691 -1.274 1.00 0.00 O ATOM 806 OD2 ASP A 51 14.873 -4.131 0.352 1.00 0.00 O ATOM 0 H ASP A 51 12.222 -6.065 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 51 10.705 -3.767 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.204 -2.819 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.480 -4.520 0.493 1.00 0.00 H new ATOM 811 N ARG A 52 12.940 -4.062 -3.487 1.00 0.00 N ATOM 812 CA ARG A 52 13.389 -3.690 -4.793 1.00 0.00 C ATOM 813 C ARG A 52 12.287 -3.531 -5.784 1.00 0.00 C ATOM 814 O ARG A 52 12.453 -2.847 -6.793 1.00 0.00 O ATOM 815 CB ARG A 52 14.429 -4.697 -5.309 1.00 0.00 C ATOM 816 CG ARG A 52 15.489 -5.114 -4.287 1.00 0.00 C ATOM 817 CD ARG A 52 16.401 -3.988 -3.797 1.00 0.00 C ATOM 818 NE ARG A 52 17.337 -4.575 -2.797 1.00 0.00 N ATOM 819 CZ ARG A 52 18.419 -5.348 -3.102 1.00 0.00 C ATOM 820 NH1 ARG A 52 18.915 -5.481 -4.367 1.00 0.00 N ATOM 821 NH2 ARG A 52 19.035 -6.026 -2.090 1.00 0.00 N ATOM 0 H ARG A 52 13.337 -4.954 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 52 13.847 -2.707 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.908 -5.590 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.931 -4.266 -6.175 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.987 -5.554 -3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.108 -5.895 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.953 -3.552 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.814 -3.186 -3.349 1.00 0.00 H new ATOM 0 HE ARG A 52 17.155 -4.385 -1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.473 -4.988 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.728 -6.073 -4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.684 -5.947 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.846 -6.612 -2.288 1.00 0.00 H new ATOM 835 N TYR A 53 11.106 -4.131 -5.548 1.00 0.00 N ATOM 836 CA TYR A 53 9.883 -3.809 -6.216 1.00 0.00 C ATOM 837 C TYR A 53 9.107 -2.767 -5.486 1.00 0.00 C ATOM 838 O TYR A 53 8.809 -1.701 -6.026 1.00 0.00 O ATOM 839 CB TYR A 53 9.002 -5.052 -6.423 1.00 0.00 C ATOM 840 CG TYR A 53 9.678 -6.081 -7.262 1.00 0.00 C ATOM 841 CD1 TYR A 53 9.968 -5.830 -8.582 1.00 0.00 C ATOM 842 CD2 TYR A 53 9.975 -7.319 -6.744 1.00 0.00 C ATOM 843 CE1 TYR A 53 10.537 -6.799 -9.376 1.00 0.00 C ATOM 844 CE2 TYR A 53 10.559 -8.291 -7.525 1.00 0.00 C ATOM 845 CZ TYR A 53 10.834 -8.033 -8.847 1.00 0.00 C ATOM 846 OH TYR A 53 11.407 -9.044 -9.647 1.00 0.00 O ATOM 0 H TYR A 53 10.999 -4.876 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 53 10.166 -3.413 -7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.749 -5.483 -5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.065 -4.758 -6.895 1.00 0.00 H new ATOM 0 HD1 TYR A 53 9.746 -4.860 -9.001 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.747 -7.532 -5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.750 -6.591 -10.414 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.801 -9.254 -7.100 1.00 0.00 H new ATOM 0 HH TYR A 53 11.549 -9.848 -9.106 1.00 0.00 H new ATOM 856 N LYS A 54 8.739 -3.027 -4.219 1.00 0.00 N ATOM 857 CA LYS A 54 7.881 -2.229 -3.399 1.00 0.00 C ATOM 858 C LYS A 54 8.283 -0.805 -3.232 1.00 0.00 C ATOM 859 O LYS A 54 7.527 0.124 -3.512 1.00 0.00 O ATOM 860 CB LYS A 54 7.858 -2.775 -1.962 1.00 0.00 C ATOM 861 CG LYS A 54 7.171 -4.129 -1.768 1.00 0.00 C ATOM 862 CD LYS A 54 7.521 -4.679 -0.384 1.00 0.00 C ATOM 863 CE LYS A 54 6.671 -5.874 0.052 1.00 0.00 C ATOM 864 NZ LYS A 54 7.071 -6.312 1.408 1.00 0.00 N ATOM 0 H LYS A 54 9.068 -3.860 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 54 6.928 -2.277 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.886 -2.858 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.361 -2.044 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.091 -4.019 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.492 -4.827 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.571 -4.973 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.409 -3.881 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.616 -5.602 0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.793 -6.695 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.489 -7.124 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.073 -6.590 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.932 -5.531 2.080 1.00 0.00 H new ATOM 878 N TRP A 55 9.504 -0.578 -2.715 1.00 0.00 N ATOM 879 CA TRP A 55 9.932 0.707 -2.254 1.00 0.00 C ATOM 880 C TRP A 55 10.315 1.572 -3.405 1.00 0.00 C ATOM 881 O TRP A 55 10.126 2.787 -3.348 1.00 0.00 O ATOM 882 CB TRP A 55 10.980 0.593 -1.135 1.00 0.00 C ATOM 883 CG TRP A 55 10.914 1.729 -0.141 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.150 1.863 0.981 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.590 2.989 -0.308 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.135 3.172 1.388 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.082 3.858 0.664 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.549 3.412 -1.188 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.545 5.140 0.778 1.00 0.00 C ATOM 890 CZ3 TRP A 55 13.012 4.701 -1.062 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.524 5.551 -0.097 1.00 0.00 C ATOM 0 H TRP A 55 10.212 -1.306 -2.615 1.00 0.00 H new ATOM 0 HA TRP A 55 9.097 1.218 -1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.839 -0.351 -0.608 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.975 0.565 -1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.632 1.055 1.477 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.527 3.569 2.104 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.930 2.755 -1.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.154 5.808 1.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.777 5.054 -1.737 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.915 6.555 -0.025 1.00 0.00 H new ATOM 902 N GLU A 56 10.757 1.012 -4.545 1.00 0.00 N ATOM 903 CA GLU A 56 10.998 1.771 -5.733 1.00 0.00 C ATOM 904 C GLU A 56 9.734 2.201 -6.394 1.00 0.00 C ATOM 905 O GLU A 56 9.634 3.329 -6.874 1.00 0.00 O ATOM 906 CB GLU A 56 11.971 1.119 -6.729 1.00 0.00 C ATOM 907 CG GLU A 56 11.482 -0.021 -7.624 1.00 0.00 C ATOM 908 CD GLU A 56 10.981 0.327 -9.018 1.00 0.00 C ATOM 909 OE1 GLU A 56 11.301 1.421 -9.555 1.00 0.00 O ATOM 910 OE2 GLU A 56 10.317 -0.547 -9.636 1.00 0.00 O ATOM 0 H GLU A 56 10.950 0.015 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 56 11.514 2.665 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.348 1.907 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.820 0.744 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.299 -0.734 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.677 -0.535 -7.099 1.00 0.00 H new ATOM 917 N ALA A 57 8.682 1.365 -6.360 1.00 0.00 N ATOM 918 CA ALA A 57 7.376 1.729 -6.817 1.00 0.00 C ATOM 919 C ALA A 57 6.737 2.781 -5.978 1.00 0.00 C ATOM 920 O ALA A 57 5.943 3.590 -6.455 1.00 0.00 O ATOM 921 CB ALA A 57 6.470 0.486 -6.831 1.00 0.00 C ATOM 0 H ALA A 57 8.740 0.410 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 57 7.497 2.138 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.475 0.765 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.892 -0.264 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.400 0.076 -5.824 1.00 0.00 H new ATOM 927 N TRP A 58 7.092 2.819 -4.681 1.00 0.00 N ATOM 928 CA TRP A 58 6.618 3.771 -3.725 1.00 0.00 C ATOM 929 C TRP A 58 7.268 5.101 -3.899 1.00 0.00 C ATOM 930 O TRP A 58 6.601 6.123 -4.051 1.00 0.00 O ATOM 931 CB TRP A 58 6.812 3.257 -2.288 1.00 0.00 C ATOM 932 CG TRP A 58 6.104 4.060 -1.222 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.158 5.030 -1.377 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.309 3.920 0.197 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.795 5.549 -0.161 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.508 4.888 0.812 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.076 3.056 0.930 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.501 5.003 2.175 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.008 3.144 2.301 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.237 4.105 2.912 1.00 0.00 C ATOM 0 H TRP A 58 7.746 2.148 -4.278 1.00 0.00 H new ATOM 0 HA TRP A 58 5.550 3.899 -3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.463 2.226 -2.237 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.879 3.244 -2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.751 5.346 -2.326 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.116 6.294 -0.005 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.713 2.329 0.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.931 5.781 2.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.569 2.448 2.907 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.209 4.155 3.990 1.00 0.00 H new ATOM 951 N GLU A 59 8.612 5.132 -3.921 1.00 0.00 N ATOM 952 CA GLU A 59 9.524 6.214 -4.128 1.00 0.00 C ATOM 953 C GLU A 59 9.286 6.941 -5.406 1.00 0.00 C ATOM 954 O GLU A 59 9.494 8.148 -5.522 1.00 0.00 O ATOM 955 CB GLU A 59 10.943 5.620 -4.141 1.00 0.00 C ATOM 956 CG GLU A 59 12.118 6.591 -4.275 1.00 0.00 C ATOM 957 CD GLU A 59 13.385 5.850 -4.676 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.350 5.132 -5.711 1.00 0.00 O ATOM 959 OE2 GLU A 59 14.443 6.012 -4.012 1.00 0.00 O ATOM 0 H GLU A 59 9.130 4.266 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 59 9.385 6.940 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.079 5.054 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.001 4.907 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.884 7.352 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.278 7.109 -3.329 1.00 0.00 H new ATOM 966 N ASN A 60 8.765 6.232 -6.423 1.00 0.00 N ATOM 967 CA ASN A 60 8.254 6.797 -7.635 1.00 0.00 C ATOM 968 C ASN A 60 7.212 7.836 -7.402 1.00 0.00 C ATOM 969 O ASN A 60 7.232 8.875 -8.059 1.00 0.00 O ATOM 970 CB ASN A 60 7.746 5.657 -8.532 1.00 0.00 C ATOM 971 CG ASN A 60 7.454 6.143 -9.945 1.00 0.00 C ATOM 972 OD1 ASN A 60 8.201 6.928 -10.527 1.00 0.00 O ATOM 973 ND2 ASN A 60 6.321 5.652 -10.514 1.00 0.00 N ATOM 0 H ASN A 60 8.696 5.215 -6.400 1.00 0.00 H new ATOM 0 HA ASN A 60 9.063 7.325 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.490 4.861 -8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.842 5.229 -8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.062 5.933 -11.460 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.730 5.003 -9.995 1.00 0.00 H new ATOM 980 N LEU A 61 6.287 7.644 -6.445 1.00 0.00 N ATOM 981 CA LEU A 61 5.306 8.625 -6.096 1.00 0.00 C ATOM 982 C LEU A 61 5.580 9.235 -4.764 1.00 0.00 C ATOM 983 O LEU A 61 4.698 9.427 -3.928 1.00 0.00 O ATOM 984 CB LEU A 61 3.861 8.110 -6.206 1.00 0.00 C ATOM 985 CG LEU A 61 3.247 8.355 -7.595 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.963 7.552 -8.693 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.749 8.009 -7.587 1.00 0.00 C ATOM 0 H LEU A 61 6.219 6.785 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 61 5.396 9.414 -6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.843 7.042 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.247 8.600 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 61 3.375 9.414 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.496 7.756 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.013 7.842 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.889 6.487 -8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.329 8.188 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.619 6.960 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.235 8.634 -6.857 1.00 0.00 H new ATOM 999 N LYS A 62 6.854 9.611 -4.552 1.00 0.00 N ATOM 1000 CA LYS A 62 7.401 10.420 -3.507 1.00 0.00 C ATOM 1001 C LYS A 62 6.624 11.462 -2.780 1.00 0.00 C ATOM 1002 O LYS A 62 6.745 11.526 -1.557 1.00 0.00 O ATOM 1003 CB LYS A 62 8.748 11.041 -3.911 1.00 0.00 C ATOM 1004 CG LYS A 62 8.747 12.053 -5.059 1.00 0.00 C ATOM 1005 CD LYS A 62 9.034 11.430 -6.427 1.00 0.00 C ATOM 1006 CE LYS A 62 9.373 12.418 -7.545 1.00 0.00 C ATOM 1007 NZ LYS A 62 8.191 13.203 -7.961 1.00 0.00 N ATOM 0 H LYS A 62 7.587 9.309 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 62 7.442 9.626 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.169 11.530 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.425 10.230 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.778 12.551 -5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.493 12.821 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.863 10.730 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.164 10.849 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.158 13.094 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.769 11.874 -8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.461 13.861 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.451 12.559 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.828 13.742 -7.149 1.00 0.00 H new ATOM 1021 N GLY A 63 5.867 12.358 -3.438 1.00 0.00 N ATOM 1022 CA GLY A 63 5.470 13.570 -2.792 1.00 0.00 C ATOM 1023 C GLY A 63 4.065 13.961 -3.095 1.00 0.00 C ATOM 1024 O GLY A 63 3.475 14.787 -2.399 1.00 0.00 O ATOM 0 H GLY A 63 5.536 12.248 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.584 13.454 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.139 14.374 -3.099 1.00 0.00 H new ATOM 1028 N LYS A 64 3.479 13.370 -4.151 1.00 0.00 N ATOM 1029 CA LYS A 64 2.152 13.671 -4.590 1.00 0.00 C ATOM 1030 C LYS A 64 1.218 12.577 -4.200 1.00 0.00 C ATOM 1031 O LYS A 64 0.050 12.493 -4.577 1.00 0.00 O ATOM 1032 CB LYS A 64 2.235 13.834 -6.117 1.00 0.00 C ATOM 1033 CG LYS A 64 1.001 14.472 -6.757 1.00 0.00 C ATOM 1034 CD LYS A 64 0.822 15.945 -6.379 1.00 0.00 C ATOM 1035 CE LYS A 64 0.127 16.820 -7.422 1.00 0.00 C ATOM 1036 NZ LYS A 64 -1.325 16.552 -7.517 1.00 0.00 N ATOM 0 H LYS A 64 3.943 12.660 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 64 1.766 14.581 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.108 14.441 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.395 12.854 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.077 14.388 -7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.114 13.915 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.252 15.996 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.804 16.370 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.283 17.869 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.588 16.653 -8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.686 16.913 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.493 15.527 -7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.818 17.027 -6.734 1.00 0.00 H new ATOM 1050 N SER A 65 1.737 11.683 -3.341 1.00 0.00 N ATOM 1051 CA SER A 65 1.175 10.464 -2.851 1.00 0.00 C ATOM 1052 C SER A 65 -0.242 10.530 -2.394 1.00 0.00 C ATOM 1053 O SER A 65 -1.074 9.712 -2.785 1.00 0.00 O ATOM 1054 CB SER A 65 2.022 10.015 -1.648 1.00 0.00 C ATOM 1055 OG SER A 65 3.398 10.323 -1.804 1.00 0.00 O ATOM 0 H SER A 65 2.664 11.838 -2.944 1.00 0.00 H new ATOM 0 HA SER A 65 1.183 9.777 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.646 10.495 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.908 8.940 -1.509 1.00 0.00 H new ATOM 0 HG SER A 65 3.731 9.921 -2.633 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.606 11.530 -1.571 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.911 11.610 -0.991 1.00 0.00 C ATOM 1063 C GLN A 66 -2.975 12.037 -1.942 1.00 0.00 C ATOM 1064 O GLN A 66 -4.160 11.854 -1.669 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.887 12.531 0.240 1.00 0.00 C ATOM 1066 CG GLN A 66 -2.244 11.719 1.487 1.00 0.00 C ATOM 1067 CD GLN A 66 -2.093 12.499 2.784 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -2.408 13.682 2.906 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.573 11.795 3.825 1.00 0.00 N ATOM 0 H GLN A 66 0.015 12.294 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.173 10.595 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.900 12.979 0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.595 13.349 0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.273 11.369 1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.609 10.834 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.319 10.815 3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.437 12.247 4.729 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.584 12.624 -3.088 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.449 13.058 -4.140 1.00 0.00 C ATOM 1080 C GLU A 67 -3.630 12.029 -5.202 1.00 0.00 C ATOM 1081 O GLU A 67 -4.728 11.877 -5.736 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.932 14.373 -4.745 1.00 0.00 C ATOM 1083 CG GLU A 67 -3.008 15.532 -3.748 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.640 16.865 -4.383 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -3.024 17.104 -5.559 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.974 17.696 -3.709 1.00 0.00 O ATOM 0 H GLU A 67 -1.601 12.806 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.431 13.224 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.900 14.241 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.516 14.619 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.017 15.592 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.338 15.333 -2.911 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.575 11.282 -5.573 1.00 0.00 N ATOM 1094 CA ASP A 68 -2.679 10.322 -6.627 1.00 0.00 C ATOM 1095 C ASP A 68 -3.133 9.001 -6.111 1.00 0.00 C ATOM 1096 O ASP A 68 -3.969 8.355 -6.739 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.352 10.167 -7.391 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.226 11.061 -8.616 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -2.088 11.950 -8.853 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -0.275 10.841 -9.413 1.00 0.00 O ATOM 0 H ASP A 68 -1.652 11.343 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.427 10.698 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.528 10.384 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.244 9.128 -7.702 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.643 8.558 -4.938 1.00 0.00 N ATOM 1106 CA ALA A 69 -2.963 7.269 -4.408 1.00 0.00 C ATOM 1107 C ALA A 69 -4.420 6.995 -4.268 1.00 0.00 C ATOM 1108 O ALA A 69 -4.944 6.081 -4.901 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.277 7.000 -3.058 1.00 0.00 C ATOM 0 H ALA A 69 -2.015 9.104 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.575 6.587 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.554 6.008 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.195 7.052 -3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.595 7.749 -2.333 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.138 7.829 -3.494 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.560 7.841 -3.349 1.00 0.00 C ATOM 1117 C GLU A 70 -7.418 7.701 -4.559 1.00 0.00 C ATOM 1118 O GLU A 70 -8.553 7.239 -4.458 1.00 0.00 O ATOM 1119 CB GLU A 70 -6.961 9.106 -2.572 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.694 10.406 -3.332 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.780 11.461 -3.170 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -8.979 11.095 -3.046 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.479 12.681 -3.256 1.00 0.00 O ATOM 0 H GLU A 70 -4.689 8.548 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.765 6.910 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.022 9.050 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.417 9.129 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.745 10.823 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.581 10.177 -4.392 1.00 0.00 H new ATOM 1130 N LYS A 71 -6.959 8.113 -5.755 1.00 0.00 N ATOM 1131 CA LYS A 71 -7.647 8.039 -7.006 1.00 0.00 C ATOM 1132 C LYS A 71 -7.418 6.752 -7.721 1.00 0.00 C ATOM 1133 O LYS A 71 -8.340 6.199 -8.319 1.00 0.00 O ATOM 1134 CB LYS A 71 -7.245 9.213 -7.914 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.174 10.429 -7.864 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.285 11.152 -6.520 1.00 0.00 C ATOM 1137 CE LYS A 71 -9.061 12.466 -6.618 1.00 0.00 C ATOM 1138 NZ LYS A 71 -9.415 12.998 -5.284 1.00 0.00 N ATOM 0 H LYS A 71 -6.033 8.530 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.711 8.097 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.240 9.534 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.197 8.855 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.835 11.148 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.172 10.108 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.776 10.498 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.285 11.353 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.463 13.202 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.970 12.309 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.955 13.880 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.993 12.300 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.546 13.189 -4.745 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.182 6.223 -7.688 1.00 0.00 N ATOM 1153 CA GLU A 72 -5.866 4.947 -8.252 1.00 0.00 C ATOM 1154 C GLU A 72 -6.295 3.832 -7.360 1.00 0.00 C ATOM 1155 O GLU A 72 -6.487 2.706 -7.815 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.353 4.832 -8.503 1.00 0.00 C ATOM 1157 CG GLU A 72 -3.796 5.852 -9.499 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.232 5.640 -10.942 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -4.799 4.574 -11.305 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -3.973 6.559 -11.764 1.00 0.00 O ATOM 0 H GLU A 72 -5.384 6.692 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.406 4.868 -9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.830 4.947 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.133 3.829 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.102 6.850 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.707 5.824 -9.455 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.472 4.101 -6.055 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.633 3.114 -5.033 1.00 0.00 C ATOM 1169 C TYR A 73 -7.925 2.381 -5.160 1.00 0.00 C ATOM 1170 O TYR A 73 -7.943 1.153 -5.218 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.571 3.707 -3.615 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.245 2.643 -2.624 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.965 2.141 -2.619 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -7.164 2.154 -1.727 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.592 1.165 -1.726 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.798 1.180 -0.829 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.519 0.676 -0.836 1.00 0.00 C ATOM 1178 OH TYR A 73 -5.148 -0.391 0.010 1.00 0.00 O ATOM 0 H TYR A 73 -6.504 5.055 -5.694 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.797 2.430 -5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.818 4.494 -3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.527 4.167 -3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.242 2.519 -3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.174 2.535 -1.728 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.581 0.786 -1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.518 0.809 -0.115 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.736 -1.158 -0.154 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.042 3.125 -5.247 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.326 2.629 -5.637 1.00 0.00 C ATOM 1190 C ILE A 74 -10.316 1.646 -6.757 1.00 0.00 C ATOM 1191 O ILE A 74 -10.851 0.545 -6.634 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.289 3.753 -5.888 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.690 3.243 -6.261 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.760 4.775 -6.909 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.773 4.321 -6.318 1.00 0.00 C ATOM 0 H ILE A 74 -9.050 4.123 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.674 2.051 -4.781 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.383 4.286 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.635 2.752 -7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.990 2.485 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.499 5.564 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.831 5.209 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.576 4.277 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.726 3.866 -6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.863 4.798 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.503 5.069 -7.064 1.00 0.00 H new ATOM 1207 N ALA A 75 -9.645 1.961 -7.879 1.00 0.00 N ATOM 1208 CA ALA A 75 -9.610 1.088 -9.011 1.00 0.00 C ATOM 1209 C ALA A 75 -8.761 -0.127 -8.862 1.00 0.00 C ATOM 1210 O ALA A 75 -9.073 -1.181 -9.414 1.00 0.00 O ATOM 1211 CB ALA A 75 -9.186 1.887 -10.255 1.00 0.00 C ATOM 0 H ALA A 75 -9.122 2.828 -8.002 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.623 0.700 -9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.158 1.225 -11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.903 2.689 -10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.196 2.314 -10.093 1.00 0.00 H new ATOM 1217 N LEU A 76 -7.674 -0.081 -8.072 1.00 0.00 N ATOM 1218 CA LEU A 76 -6.926 -1.249 -7.720 1.00 0.00 C ATOM 1219 C LEU A 76 -7.714 -2.161 -6.845 1.00 0.00 C ATOM 1220 O LEU A 76 -7.873 -3.352 -7.110 1.00 0.00 O ATOM 1221 CB LEU A 76 -5.660 -0.937 -6.907 1.00 0.00 C ATOM 1222 CG LEU A 76 -4.524 -0.190 -7.626 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -3.378 -0.035 -6.612 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.032 -0.913 -8.892 1.00 0.00 C ATOM 0 H LEU A 76 -7.307 0.782 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.674 -1.698 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.954 -0.348 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.260 -1.879 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.893 0.776 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.547 0.492 -7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.729 0.533 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.045 -1.020 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.231 -0.335 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.659 -1.902 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.857 -1.015 -9.597 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.240 -1.616 -5.734 1.00 0.00 N ATOM 1237 CA VAL A 77 -8.807 -2.342 -4.639 1.00 0.00 C ATOM 1238 C VAL A 77 -10.148 -2.888 -4.992 1.00 0.00 C ATOM 1239 O VAL A 77 -10.520 -3.936 -4.468 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.778 -1.497 -3.400 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.710 -2.028 -2.298 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.318 -1.565 -2.920 1.00 0.00 C ATOM 0 H VAL A 77 -8.271 -0.606 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.202 -3.222 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.122 -0.485 -3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.649 -1.378 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.736 -2.045 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.407 -3.038 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.205 -0.971 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.052 -2.601 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.661 -1.171 -3.696 1.00 0.00 H new ATOM 1252 N ASP A 78 -10.906 -2.322 -5.948 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.088 -2.971 -6.425 1.00 0.00 C ATOM 1254 C ASP A 78 -11.800 -4.246 -7.141 1.00 0.00 C ATOM 1255 O ASP A 78 -12.571 -5.204 -7.107 1.00 0.00 O ATOM 1256 CB ASP A 78 -12.866 -1.986 -7.314 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.207 -2.498 -7.822 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.079 -2.894 -7.004 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -14.394 -2.500 -9.067 1.00 0.00 O ATOM 0 H ASP A 78 -10.704 -1.424 -6.387 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.697 -3.254 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.034 -1.068 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.245 -1.726 -8.171 1.00 0.00 H new ATOM 1264 N GLN A 79 -10.628 -4.332 -7.797 1.00 0.00 N ATOM 1265 CA GLN A 79 -10.158 -5.509 -8.459 1.00 0.00 C ATOM 1266 C GLN A 79 -9.481 -6.466 -7.538 1.00 0.00 C ATOM 1267 O GLN A 79 -9.291 -7.633 -7.876 1.00 0.00 O ATOM 1268 CB GLN A 79 -9.247 -5.115 -9.633 1.00 0.00 C ATOM 1269 CG GLN A 79 -9.973 -4.234 -10.651 1.00 0.00 C ATOM 1270 CD GLN A 79 -9.058 -3.858 -11.807 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -9.139 -4.423 -12.897 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -8.154 -2.869 -11.566 1.00 0.00 N ATOM 0 H GLN A 79 -9.981 -3.547 -7.869 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.029 -6.040 -8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.374 -4.585 -9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.883 -6.016 -10.127 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.848 -4.761 -11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.334 -3.330 -10.161 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.117 -2.424 -10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.514 -2.573 -12.303 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.133 -6.054 -6.306 1.00 0.00 N ATOM 1282 CA LEU A 80 -8.803 -6.923 -5.220 1.00 0.00 C ATOM 1283 C LEU A 80 -10.073 -7.458 -4.654 1.00 0.00 C ATOM 1284 O LEU A 80 -10.327 -8.658 -4.744 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.997 -6.237 -4.104 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.476 -6.178 -4.326 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.022 -5.275 -5.485 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.771 -5.730 -3.036 1.00 0.00 C ATOM 0 H LEU A 80 -9.079 -5.067 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.166 -7.715 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.369 -5.219 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.190 -6.759 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.192 -7.193 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.935 -5.300 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.459 -5.632 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.350 -4.252 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.695 -5.692 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.129 -4.741 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.988 -6.439 -2.237 1.00 0.00 H new ATOM 1300 N ILE A 81 -10.952 -6.605 -4.097 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.172 -6.903 -3.413 1.00 0.00 C ATOM 1302 C ILE A 81 -13.089 -7.813 -4.155 1.00 0.00 C ATOM 1303 O ILE A 81 -13.668 -8.728 -3.572 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.854 -5.610 -3.074 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.153 -4.895 -1.906 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.368 -5.704 -2.825 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.498 -5.437 -0.520 1.00 0.00 C ATOM 0 H ILE A 81 -10.787 -5.599 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.911 -7.455 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.757 -5.013 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.075 -4.966 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -12.410 -3.836 -1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.760 -4.715 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.861 -6.085 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.558 -6.379 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.956 -4.870 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -13.570 -5.340 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.214 -6.488 -0.459 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.214 -7.649 -5.485 1.00 0.00 N ATOM 1320 CA ALA A 82 -13.944 -8.542 -6.330 1.00 0.00 C ATOM 1321 C ALA A 82 -13.526 -9.971 -6.284 1.00 0.00 C ATOM 1322 O ALA A 82 -14.347 -10.879 -6.400 1.00 0.00 O ATOM 1323 CB ALA A 82 -13.891 -8.038 -7.782 1.00 0.00 C ATOM 0 H ALA A 82 -12.793 -6.868 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.959 -8.533 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.448 -8.720 -8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.334 -7.044 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.854 -7.993 -8.114 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.224 -10.254 -6.099 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.742 -11.557 -5.762 1.00 0.00 C ATOM 1331 C LYS A 83 -11.732 -11.793 -4.290 1.00 0.00 C ATOM 1332 O LYS A 83 -11.993 -12.905 -3.832 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.333 -11.806 -6.325 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.241 -11.974 -7.843 1.00 0.00 C ATOM 1335 CD LYS A 83 -9.536 -10.819 -8.555 1.00 0.00 C ATOM 1336 CE LYS A 83 -8.048 -10.669 -8.230 1.00 0.00 C ATOM 1337 NZ LYS A 83 -7.496 -9.466 -8.891 1.00 0.00 N ATOM 0 H LYS A 83 -11.485 -9.556 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.438 -12.260 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.693 -10.974 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.928 -12.702 -5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.712 -12.901 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.248 -12.077 -8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.645 -10.955 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.044 -9.890 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.910 -10.595 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.506 -11.555 -8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.552 -9.261 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.424 -9.635 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.124 -8.655 -8.717 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.375 -10.789 -3.469 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.857 -10.987 -2.150 1.00 0.00 C ATOM 1353 C TYR A 84 -11.903 -10.988 -1.090 1.00 0.00 C ATOM 1354 O TYR A 84 -11.717 -11.646 -0.066 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.817 -9.936 -1.728 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.468 -9.914 -2.358 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.148 -10.478 -3.570 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.487 -9.220 -1.690 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.889 -10.354 -4.111 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.222 -9.091 -2.213 1.00 0.00 C ATOM 1361 CZ TYR A 84 -5.919 -9.660 -3.428 1.00 0.00 C ATOM 1362 OH TYR A 84 -4.632 -9.491 -3.979 1.00 0.00 O ATOM 0 H TYR A 84 -11.449 -9.806 -3.732 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.392 -11.970 -2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.265 -8.956 -1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.669 -10.043 -0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.902 -11.031 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.714 -8.767 -0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.664 -10.800 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.466 -8.543 -1.670 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.667 -9.646 -4.946 1.00 0.00 H new ATOM 1372 N SER A 85 -13.007 -10.240 -1.263 1.00 0.00 N ATOM 1373 CA SER A 85 -14.075 -10.037 -0.334 1.00 0.00 C ATOM 1374 C SER A 85 -14.468 -11.169 0.552 1.00 0.00 C ATOM 1375 O SER A 85 -14.478 -11.023 1.773 1.00 0.00 O ATOM 1376 CB SER A 85 -15.332 -9.452 -1.000 1.00 0.00 C ATOM 1377 OG SER A 85 -15.735 -10.182 -2.150 1.00 0.00 O ATOM 0 H SER A 85 -13.164 -9.732 -2.133 1.00 0.00 H new ATOM 0 HA SER A 85 -13.613 -9.316 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.148 -9.440 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.140 -8.416 -1.281 1.00 0.00 H new ATOM 0 HG SER A 85 -15.186 -9.915 -2.916 1.00 0.00 H new ATOM 1383 N SER A 86 -14.786 -12.336 -0.035 1.00 0.00 N ATOM 1384 CA SER A 86 -15.011 -13.552 0.684 1.00 0.00 C ATOM 1385 C SER A 86 -14.753 -14.707 -0.274 1.00 0.00 C ATOM 1386 O SER A 86 -15.416 -14.787 -1.342 1.00 0.00 O ATOM 1387 CB SER A 86 -16.422 -13.645 1.288 1.00 0.00 C ATOM 1388 OG SER A 86 -16.569 -14.644 2.286 1.00 0.00 O ATOM 1389 OXT SER A 86 -13.872 -15.560 0.014 1.00 0.00 O ATOM 0 H SER A 86 -14.890 -12.437 -1.045 1.00 0.00 H new ATOM 0 HA SER A 86 -14.331 -13.588 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.684 -12.678 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.135 -13.842 0.487 1.00 0.00 H new ATOM 0 HG SER A 86 -17.490 -14.639 2.621 1.00 0.00 H new TER 1395 SER A 86