USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 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 71 ASN : amide:sc= -3.86! C(o=-4.6!,f=-4.7!) USER MOD Set 1.2: A 73 THR OG1 : rot 50:sc= -0.776 USER MOD Set 2.1: A 69 SER OG : rot 113:sc= -0.83! USER MOD Set 2.2: A 77 THR OG1 : rot 127:sc= 1.37 USER MOD Set 3.1: A 6 TYR OH : rot 164:sc= -0.658 USER MOD Set 3.2: A 11 MET CE :methyl 147:sc= -0.543 (180deg=-2.29!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0792 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.0221 K(o=0.022,f=-0.88) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -160:sc= -0.069 (180deg=-0.577) USER MOD Single : A 64 MET CE :methyl 165:sc= 0 (180deg=-0.273) USER MOD Single : A 67 THR OG1 : rot 86:sc= 0.934 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.97 K(o=0.97,f=-4.7!) USER MOD Single : A 87 SER OG : rot 71:sc= 1.21 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 92 ASN : amide:sc= -0.519 K(o=-0.52,f=-1) USER MOD Single : A 93 TYR OH : rot -116:sc= 0.936 USER MOD Single : A 96 GLN : amide:sc= -1.46! C(o=-1.5!,f=-6.3!) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 108 MET CE :methyl 179:sc= -1.12 (180deg=-1.15) USER MOD Single : A 113 SER OG : rot 83:sc= 0.447 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -169:sc=-0.00902 (180deg=-0.142) USER MOD Single : A 124 SER OG : rot -35:sc= 0.551 USER MOD Single : A 125 GLN :FLIP amide:sc= -1.21 F(o=-3.7!,f=-1.2) USER MOD Single : A 128 CYS SG : rot -116:sc= 0.358 USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.0024 USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl -125:sc= 0 (180deg=-1.94!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.388 -21.683 6.164 1.00 0.00 N ATOM 2 CA GLY A 1 6.506 -20.607 7.182 1.00 0.00 C ATOM 3 C GLY A 1 5.410 -19.568 7.048 1.00 0.00 C ATOM 4 O GLY A 1 4.525 -19.693 6.197 1.00 0.00 O ATOM 0 H1 GLY A 1 6.253 -22.598 6.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.573 -21.490 5.547 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.255 -21.716 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.467 -21.047 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.477 -20.122 7.085 1.00 0.00 H new ATOM 10 N ASP A 2 5.469 -18.536 7.890 1.00 0.00 N ATOM 11 CA ASP A 2 4.468 -17.467 7.891 1.00 0.00 C ATOM 12 C ASP A 2 5.133 -16.117 7.618 1.00 0.00 C ATOM 13 O ASP A 2 6.334 -15.956 7.837 1.00 0.00 O ATOM 14 CB ASP A 2 3.720 -17.444 9.234 1.00 0.00 C ATOM 15 CG ASP A 2 2.699 -16.321 9.328 1.00 0.00 C ATOM 16 OD1 ASP A 2 1.974 -16.078 8.340 1.00 0.00 O ATOM 17 OD2 ASP A 2 2.622 -15.666 10.384 1.00 0.00 O ATOM 0 H ASP A 2 6.205 -18.417 8.586 1.00 0.00 H new ATOM 0 HA ASP A 2 3.746 -17.659 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.215 -18.399 9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.442 -17.339 10.044 1.00 0.00 H new ATOM 22 N ILE A 3 4.351 -15.153 7.134 1.00 0.00 N ATOM 23 CA ILE A 3 4.882 -13.839 6.768 1.00 0.00 C ATOM 24 C ILE A 3 4.341 -12.741 7.699 1.00 0.00 C ATOM 25 O ILE A 3 4.857 -11.619 7.724 1.00 0.00 O ATOM 26 CB ILE A 3 4.537 -13.493 5.293 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.267 -12.209 4.849 1.00 0.00 C ATOM 28 CG2 ILE A 3 3.025 -13.352 5.107 1.00 0.00 C ATOM 29 CD1 ILE A 3 5.045 -11.841 3.396 1.00 0.00 C ATOM 0 H ILE A 3 3.347 -15.256 6.986 1.00 0.00 H new ATOM 0 HA ILE A 3 5.966 -13.884 6.877 1.00 0.00 H new ATOM 0 HB ILE A 3 4.879 -14.313 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.937 -11.381 5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.336 -12.334 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.807 -13.110 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.537 -14.290 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.652 -12.555 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.592 -10.927 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.402 -12.649 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.981 -11.682 3.219 1.00 0.00 H new ATOM 41 N ARG A 4 3.309 -13.073 8.477 1.00 0.00 N ATOM 42 CA ARG A 4 2.619 -12.088 9.318 1.00 0.00 C ATOM 43 C ARG A 4 3.565 -11.413 10.312 1.00 0.00 C ATOM 44 O ARG A 4 3.393 -10.233 10.624 1.00 0.00 O ATOM 45 CB ARG A 4 1.447 -12.733 10.067 1.00 0.00 C ATOM 46 CG ARG A 4 0.327 -13.224 9.153 1.00 0.00 C ATOM 47 CD ARG A 4 -0.757 -13.951 9.938 1.00 0.00 C ATOM 48 NE ARG A 4 -0.217 -15.107 10.655 1.00 0.00 N ATOM 49 CZ ARG A 4 -0.795 -15.677 11.715 1.00 0.00 C ATOM 50 NH1 ARG A 4 -1.950 -15.221 12.186 1.00 0.00 N ATOM 51 NH2 ARG A 4 -0.216 -16.713 12.303 1.00 0.00 N ATOM 0 H ARG A 4 2.931 -14.018 8.543 1.00 0.00 H new ATOM 0 HA ARG A 4 2.235 -11.318 8.649 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.820 -13.573 10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.037 -12.010 10.773 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.111 -12.377 8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.740 -13.892 8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.216 -13.263 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.543 -14.278 9.257 1.00 0.00 H new ATOM 0 HE ARG A 4 0.661 -15.505 10.322 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.406 -14.427 11.737 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.381 -15.665 12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.669 -17.073 11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.655 -17.151 13.113 1.00 0.00 H new ATOM 65 N ASP A 5 4.560 -12.155 10.808 1.00 0.00 N ATOM 66 CA ASP A 5 5.548 -11.596 11.744 1.00 0.00 C ATOM 67 C ASP A 5 6.137 -10.309 11.177 1.00 0.00 C ATOM 68 O ASP A 5 6.141 -9.257 11.836 1.00 0.00 O ATOM 69 CB ASP A 5 6.685 -12.599 12.004 1.00 0.00 C ATOM 70 CG ASP A 5 6.208 -13.891 12.641 1.00 0.00 C ATOM 71 OD1 ASP A 5 5.729 -14.780 11.904 1.00 0.00 O ATOM 72 OD2 ASP A 5 6.323 -14.035 13.877 1.00 0.00 O ATOM 0 H ASP A 5 4.705 -13.139 10.580 1.00 0.00 H new ATOM 0 HA ASP A 5 5.039 -11.385 12.685 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.182 -12.828 11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.429 -12.135 12.652 1.00 0.00 H new ATOM 77 N TYR A 6 6.594 -10.401 9.928 1.00 0.00 N ATOM 78 CA TYR A 6 7.145 -9.256 9.218 1.00 0.00 C ATOM 79 C TYR A 6 6.094 -8.156 9.098 1.00 0.00 C ATOM 80 O TYR A 6 6.367 -6.993 9.385 1.00 0.00 O ATOM 81 CB TYR A 6 7.639 -9.673 7.810 1.00 0.00 C ATOM 82 CG TYR A 6 7.387 -8.608 6.756 1.00 0.00 C ATOM 83 CD1 TYR A 6 8.244 -7.524 6.609 1.00 0.00 C ATOM 84 CD2 TYR A 6 6.253 -8.662 5.949 1.00 0.00 C ATOM 85 CE1 TYR A 6 7.981 -6.532 5.688 1.00 0.00 C ATOM 86 CE2 TYR A 6 5.980 -7.667 5.038 1.00 0.00 C ATOM 87 CZ TYR A 6 6.847 -6.606 4.910 1.00 0.00 C ATOM 88 OH TYR A 6 6.567 -5.607 4.019 1.00 0.00 O ATOM 0 H TYR A 6 6.591 -11.266 9.387 1.00 0.00 H new ATOM 0 HA TYR A 6 7.995 -8.876 9.785 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.707 -9.888 7.854 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.140 -10.596 7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.129 -7.458 7.225 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.576 -9.499 6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.661 -5.701 5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.091 -7.719 4.427 1.00 0.00 H new ATOM 0 HH TYR A 6 5.892 -5.918 3.380 1.00 0.00 H new ATOM 98 N ASN A 7 4.897 -8.550 8.667 1.00 0.00 N ATOM 99 CA ASN A 7 3.811 -7.599 8.433 1.00 0.00 C ATOM 100 C ASN A 7 3.605 -6.718 9.656 1.00 0.00 C ATOM 101 O ASN A 7 3.894 -5.520 9.620 1.00 0.00 O ATOM 102 CB ASN A 7 2.505 -8.322 8.060 1.00 0.00 C ATOM 103 CG ASN A 7 2.475 -8.782 6.609 1.00 0.00 C ATOM 104 OD1 ASN A 7 2.014 -8.060 5.728 1.00 0.00 O ATOM 105 ND2 ASN A 7 2.968 -9.983 6.350 1.00 0.00 N ATOM 0 H ASN A 7 4.654 -9.521 8.473 1.00 0.00 H new ATOM 0 HA ASN A 7 4.093 -6.967 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.375 -9.186 8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.662 -7.655 8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.973 -10.337 5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.343 -10.555 7.107 1.00 0.00 H new ATOM 112 N ASP A 8 3.156 -7.322 10.748 1.00 0.00 N ATOM 113 CA ASP A 8 2.886 -6.581 11.974 1.00 0.00 C ATOM 114 C ASP A 8 4.103 -5.766 12.397 1.00 0.00 C ATOM 115 O ASP A 8 4.042 -4.533 12.458 1.00 0.00 O ATOM 116 CB ASP A 8 2.470 -7.533 13.104 1.00 0.00 C ATOM 117 CG ASP A 8 1.146 -8.225 12.824 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.086 -7.601 13.045 1.00 0.00 O ATOM 119 OD2 ASP A 8 1.159 -9.391 12.379 1.00 0.00 O ATOM 0 H ASP A 8 2.971 -8.323 10.811 1.00 0.00 H new ATOM 0 HA ASP A 8 2.063 -5.895 11.775 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.246 -8.285 13.246 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.394 -6.974 14.036 1.00 0.00 H new ATOM 124 N ALA A 9 5.220 -6.453 12.642 1.00 0.00 N ATOM 125 CA ALA A 9 6.410 -5.805 13.190 1.00 0.00 C ATOM 126 C ALA A 9 6.923 -4.696 12.272 1.00 0.00 C ATOM 127 O ALA A 9 6.885 -3.513 12.623 1.00 0.00 O ATOM 128 CB ALA A 9 7.507 -6.836 13.444 1.00 0.00 C ATOM 0 H ALA A 9 5.324 -7.453 12.470 1.00 0.00 H new ATOM 0 HA ALA A 9 6.129 -5.345 14.137 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.387 -6.338 13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.149 -7.581 14.155 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.770 -7.326 12.507 1.00 0.00 H new ATOM 134 N ASP A 10 7.365 -5.087 11.083 1.00 0.00 N ATOM 135 CA ASP A 10 8.056 -4.180 10.169 1.00 0.00 C ATOM 136 C ASP A 10 7.132 -3.060 9.694 1.00 0.00 C ATOM 137 O ASP A 10 7.485 -1.880 9.770 1.00 0.00 O ATOM 138 CB ASP A 10 8.605 -4.968 8.972 1.00 0.00 C ATOM 139 CG ASP A 10 9.577 -4.170 8.112 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.716 -3.931 8.568 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.230 -3.829 6.962 1.00 0.00 O ATOM 0 H ASP A 10 7.256 -6.036 10.725 1.00 0.00 H new ATOM 0 HA ASP A 10 8.885 -3.718 10.705 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.107 -5.864 9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.772 -5.299 8.352 1.00 0.00 H new ATOM 146 N MET A 11 5.929 -3.424 9.242 1.00 0.00 N ATOM 147 CA MET A 11 5.007 -2.440 8.679 1.00 0.00 C ATOM 148 C MET A 11 4.562 -1.438 9.744 1.00 0.00 C ATOM 149 O MET A 11 4.547 -0.234 9.495 1.00 0.00 O ATOM 150 CB MET A 11 3.783 -3.120 8.049 1.00 0.00 C ATOM 151 CG MET A 11 4.094 -4.039 6.864 1.00 0.00 C ATOM 152 SD MET A 11 4.077 -3.193 5.263 1.00 0.00 S ATOM 153 CE MET A 11 5.618 -2.281 5.286 1.00 0.00 C ATOM 0 H MET A 11 5.576 -4.381 9.255 1.00 0.00 H new ATOM 0 HA MET A 11 5.541 -1.902 7.895 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.273 -3.702 8.817 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.087 -2.349 7.719 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.073 -4.493 7.015 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.366 -4.850 6.844 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.018 -2.218 4.274 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.440 -1.276 5.670 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.334 -2.793 5.928 1.00 0.00 H new ATOM 163 N ALA A 12 4.213 -1.922 10.940 1.00 0.00 N ATOM 164 CA ALA A 12 3.754 -1.028 12.006 1.00 0.00 C ATOM 165 C ALA A 12 4.865 -0.064 12.422 1.00 0.00 C ATOM 166 O ALA A 12 4.663 1.152 12.459 1.00 0.00 O ATOM 167 CB ALA A 12 3.255 -1.822 13.209 1.00 0.00 C ATOM 0 H ALA A 12 4.239 -2.910 11.191 1.00 0.00 H new ATOM 0 HA ALA A 12 2.921 -0.443 11.617 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.920 -1.134 13.985 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.424 -2.459 12.905 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.064 -2.441 13.597 1.00 0.00 H new ATOM 173 N ARG A 13 6.039 -0.621 12.711 1.00 0.00 N ATOM 174 CA ARG A 13 7.183 0.170 13.171 1.00 0.00 C ATOM 175 C ARG A 13 7.634 1.182 12.110 1.00 0.00 C ATOM 176 O ARG A 13 8.112 2.268 12.446 1.00 0.00 O ATOM 177 CB ARG A 13 8.340 -0.752 13.578 1.00 0.00 C ATOM 178 CG ARG A 13 7.992 -1.656 14.761 1.00 0.00 C ATOM 179 CD ARG A 13 9.141 -2.580 15.140 1.00 0.00 C ATOM 180 NE ARG A 13 8.765 -3.495 16.223 1.00 0.00 N ATOM 181 CZ ARG A 13 9.636 -4.116 17.025 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.940 -3.922 16.875 1.00 0.00 N ATOM 183 NH2 ARG A 13 9.199 -4.929 17.977 1.00 0.00 N ATOM 0 H ARG A 13 6.225 -1.621 12.635 1.00 0.00 H new ATOM 0 HA ARG A 13 6.867 0.738 14.046 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.623 -1.370 12.726 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.209 -0.145 13.834 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.726 -1.040 15.620 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.115 -2.254 14.513 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.448 -3.156 14.267 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.001 -1.985 15.448 1.00 0.00 H new ATOM 0 HE ARG A 13 7.772 -3.669 16.375 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.282 -3.297 16.145 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.600 -4.398 17.489 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.198 -5.081 18.098 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.864 -5.402 18.588 1.00 0.00 H new ATOM 197 N LEU A 14 7.473 0.831 10.834 1.00 0.00 N ATOM 198 CA LEU A 14 7.828 1.739 9.740 1.00 0.00 C ATOM 199 C LEU A 14 6.774 2.837 9.568 1.00 0.00 C ATOM 200 O LEU A 14 7.093 4.029 9.588 1.00 0.00 O ATOM 201 CB LEU A 14 7.996 0.959 8.424 1.00 0.00 C ATOM 202 CG LEU A 14 8.160 1.819 7.153 1.00 0.00 C ATOM 203 CD1 LEU A 14 9.339 2.783 7.283 1.00 0.00 C ATOM 204 CD2 LEU A 14 8.322 0.930 5.920 1.00 0.00 C ATOM 0 H LEU A 14 7.101 -0.070 10.532 1.00 0.00 H new ATOM 0 HA LEU A 14 8.776 2.212 9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.867 0.310 8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.129 0.312 8.293 1.00 0.00 H new ATOM 0 HG LEU A 14 7.255 2.415 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.428 3.374 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.174 3.447 8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.257 2.216 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.436 1.554 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.205 0.302 6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.440 0.299 5.808 1.00 0.00 H new ATOM 216 N LEU A 15 5.517 2.432 9.427 1.00 0.00 N ATOM 217 CA LEU A 15 4.427 3.376 9.183 1.00 0.00 C ATOM 218 C LEU A 15 4.168 4.243 10.411 1.00 0.00 C ATOM 219 O LEU A 15 3.541 5.302 10.310 1.00 0.00 O ATOM 220 CB LEU A 15 3.147 2.638 8.750 1.00 0.00 C ATOM 221 CG LEU A 15 3.102 2.208 7.268 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.157 3.425 6.350 1.00 0.00 C ATOM 223 CD2 LEU A 15 4.238 1.243 6.931 1.00 0.00 C ATOM 0 H LEU A 15 5.225 1.456 9.477 1.00 0.00 H new ATOM 0 HA LEU A 15 4.729 4.033 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.031 1.751 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.291 3.282 8.950 1.00 0.00 H new ATOM 0 HG LEU A 15 2.157 1.688 7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.124 3.098 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.305 4.073 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.082 3.974 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.176 0.961 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.196 1.728 7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.154 0.351 7.552 1.00 0.00 H new ATOM 235 N GLU A 16 4.668 3.799 11.563 1.00 0.00 N ATOM 236 CA GLU A 16 4.592 4.590 12.785 1.00 0.00 C ATOM 237 C GLU A 16 5.323 5.920 12.590 1.00 0.00 C ATOM 238 O GLU A 16 4.899 6.965 13.109 1.00 0.00 O ATOM 239 CB GLU A 16 5.179 3.810 13.973 1.00 0.00 C ATOM 240 CG GLU A 16 5.173 4.593 15.282 1.00 0.00 C ATOM 241 CD GLU A 16 5.463 3.749 16.514 1.00 0.00 C ATOM 242 OE1 GLU A 16 5.853 2.571 16.372 1.00 0.00 O ATOM 243 OE2 GLU A 16 5.281 4.268 17.637 1.00 0.00 O ATOM 0 H GLU A 16 5.129 2.896 11.673 1.00 0.00 H new ATOM 0 HA GLU A 16 3.545 4.798 13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.612 2.889 14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.203 3.522 13.737 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.914 5.390 15.219 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.200 5.070 15.403 1.00 0.00 H new ATOM 250 N GLN A 17 6.414 5.884 11.820 1.00 0.00 N ATOM 251 CA GLN A 17 7.136 7.099 11.461 1.00 0.00 C ATOM 252 C GLN A 17 6.229 8.010 10.650 1.00 0.00 C ATOM 253 O GLN A 17 6.088 9.187 10.959 1.00 0.00 O ATOM 254 CB GLN A 17 8.393 6.790 10.639 1.00 0.00 C ATOM 255 CG GLN A 17 9.156 8.050 10.226 1.00 0.00 C ATOM 256 CD GLN A 17 10.211 7.793 9.170 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.358 7.496 9.487 1.00 0.00 O ATOM 258 NE2 GLN A 17 9.833 7.928 7.909 1.00 0.00 N ATOM 0 H GLN A 17 6.813 5.027 11.436 1.00 0.00 H new ATOM 0 HA GLN A 17 7.442 7.588 12.386 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.052 6.146 11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.110 6.233 9.746 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.448 8.788 9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.631 8.484 11.106 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.868 8.176 7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.506 7.784 7.157 1.00 0.00 H new ATOM 267 N TRP A 18 5.608 7.433 9.623 1.00 0.00 N ATOM 268 CA TRP A 18 4.735 8.176 8.719 1.00 0.00 C ATOM 269 C TRP A 18 3.648 8.909 9.497 1.00 0.00 C ATOM 270 O TRP A 18 3.345 10.080 9.214 1.00 0.00 O ATOM 271 CB TRP A 18 4.105 7.219 7.699 1.00 0.00 C ATOM 272 CG TRP A 18 5.072 6.735 6.660 1.00 0.00 C ATOM 273 CD1 TRP A 18 6.159 5.926 6.848 1.00 0.00 C ATOM 274 CD2 TRP A 18 5.034 7.034 5.262 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.800 5.715 5.652 1.00 0.00 N ATOM 276 CE2 TRP A 18 6.128 6.385 4.666 1.00 0.00 C ATOM 277 CE3 TRP A 18 4.181 7.796 4.460 1.00 0.00 C ATOM 278 CZ2 TRP A 18 6.389 6.471 3.302 1.00 0.00 C ATOM 279 CZ3 TRP A 18 4.439 7.877 3.108 1.00 0.00 C ATOM 280 CH2 TRP A 18 5.535 7.220 2.542 1.00 0.00 C ATOM 0 H TRP A 18 5.696 6.443 9.396 1.00 0.00 H new ATOM 0 HA TRP A 18 5.333 8.918 8.190 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.690 6.360 8.226 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.274 7.722 7.205 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.468 5.514 7.797 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.640 5.151 5.520 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.336 8.312 4.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 7.235 5.965 2.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.783 8.458 2.476 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.711 7.306 1.480 1.00 0.00 H new ATOM 291 N GLU A 19 3.074 8.220 10.482 1.00 0.00 N ATOM 292 CA GLU A 19 2.122 8.844 11.388 1.00 0.00 C ATOM 293 C GLU A 19 2.775 10.044 12.047 1.00 0.00 C ATOM 294 O GLU A 19 2.276 11.164 11.971 1.00 0.00 O ATOM 295 CB GLU A 19 1.672 7.867 12.477 1.00 0.00 C ATOM 296 CG GLU A 19 0.862 6.682 11.976 1.00 0.00 C ATOM 297 CD GLU A 19 0.425 5.778 13.116 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.340 6.252 13.989 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.864 4.612 13.163 1.00 0.00 O ATOM 0 H GLU A 19 3.253 7.234 10.669 1.00 0.00 H new ATOM 0 HA GLU A 19 1.249 9.149 10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.554 7.492 12.996 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.077 8.411 13.211 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.016 7.042 11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.457 6.109 11.265 1.00 0.00 H new ATOM 306 N LYS A 20 3.924 9.793 12.664 1.00 0.00 N ATOM 307 CA LYS A 20 4.652 10.827 13.374 1.00 0.00 C ATOM 308 C LYS A 20 4.961 11.998 12.439 1.00 0.00 C ATOM 309 O LYS A 20 4.907 13.148 12.853 1.00 0.00 O ATOM 310 CB LYS A 20 5.938 10.246 13.986 1.00 0.00 C ATOM 311 CG LYS A 20 6.624 11.169 14.990 1.00 0.00 C ATOM 312 CD LYS A 20 7.718 10.443 15.773 1.00 0.00 C ATOM 313 CE LYS A 20 8.254 11.296 16.919 1.00 0.00 C ATOM 314 NZ LYS A 20 9.195 10.538 17.784 1.00 0.00 N ATOM 0 H LYS A 20 4.370 8.876 12.684 1.00 0.00 H new ATOM 0 HA LYS A 20 4.032 11.204 14.187 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.699 9.304 14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.638 10.016 13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.057 12.020 14.464 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.883 11.566 15.684 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.322 9.508 16.170 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.535 10.183 15.100 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.760 12.172 16.513 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.421 11.660 17.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.536 11.154 18.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.706 9.716 18.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.003 10.213 17.216 1.00 0.00 H new ATOM 328 N ASP A 21 5.237 11.697 11.168 1.00 0.00 N ATOM 329 CA ASP A 21 5.584 12.724 10.184 1.00 0.00 C ATOM 330 C ASP A 21 4.419 13.680 9.953 1.00 0.00 C ATOM 331 O ASP A 21 4.557 14.898 10.117 1.00 0.00 O ATOM 332 CB ASP A 21 6.002 12.099 8.840 1.00 0.00 C ATOM 333 CG ASP A 21 7.345 11.386 8.899 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.320 11.988 9.405 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.432 10.230 8.436 1.00 0.00 O ATOM 0 H ASP A 21 5.227 10.747 10.796 1.00 0.00 H new ATOM 0 HA ASP A 21 6.428 13.280 10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.236 11.391 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.047 12.881 8.082 1.00 0.00 H new ATOM 340 N ASP A 22 3.259 13.134 9.585 1.00 0.00 N ATOM 341 CA ASP A 22 2.119 13.988 9.249 1.00 0.00 C ATOM 342 C ASP A 22 1.509 14.592 10.514 1.00 0.00 C ATOM 343 O ASP A 22 0.873 15.651 10.467 1.00 0.00 O ATOM 344 CB ASP A 22 1.070 13.242 8.402 1.00 0.00 C ATOM 345 CG ASP A 22 0.158 12.323 9.196 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.557 11.171 9.464 1.00 0.00 O ATOM 347 OD2 ASP A 22 -0.981 12.738 9.502 1.00 0.00 O ATOM 0 H ASP A 22 3.085 12.131 9.513 1.00 0.00 H new ATOM 0 HA ASP A 22 2.486 14.808 8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.458 13.975 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.586 12.654 7.643 1.00 0.00 H new ATOM 352 N ASP A 23 1.743 13.945 11.656 1.00 0.00 N ATOM 353 CA ASP A 23 1.347 14.505 12.947 1.00 0.00 C ATOM 354 C ASP A 23 2.307 15.627 13.352 1.00 0.00 C ATOM 355 O ASP A 23 1.924 16.557 14.064 1.00 0.00 O ATOM 356 CB ASP A 23 1.289 13.427 14.040 1.00 0.00 C ATOM 357 CG ASP A 23 0.046 12.544 13.968 1.00 0.00 C ATOM 358 OD1 ASP A 23 -1.082 13.089 13.977 1.00 0.00 O ATOM 359 OD2 ASP A 23 0.184 11.300 13.949 1.00 0.00 O ATOM 0 H ASP A 23 2.203 13.036 11.713 1.00 0.00 H new ATOM 0 HA ASP A 23 0.343 14.916 12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.176 12.797 13.964 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.324 13.910 15.016 1.00 0.00 H new ATOM 364 N ILE A 24 3.557 15.546 12.894 1.00 0.00 N ATOM 365 CA ILE A 24 4.499 16.654 13.056 1.00 0.00 C ATOM 366 C ILE A 24 4.045 17.825 12.189 1.00 0.00 C ATOM 367 O ILE A 24 4.242 18.989 12.540 1.00 0.00 O ATOM 368 CB ILE A 24 5.959 16.251 12.697 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.534 15.313 13.775 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.852 17.481 12.528 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.916 14.778 13.455 1.00 0.00 C ATOM 0 H ILE A 24 3.938 14.732 12.412 1.00 0.00 H new ATOM 0 HA ILE A 24 4.503 16.942 14.107 1.00 0.00 H new ATOM 0 HB ILE A 24 5.937 15.723 11.744 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.574 15.848 14.724 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.853 14.473 13.911 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.864 17.164 12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.460 18.108 11.727 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.869 18.049 13.458 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.250 14.126 14.262 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.881 14.213 12.524 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.612 15.610 13.349 1.00 0.00 H new ATOM 383 N GLU A 25 3.432 17.509 11.049 1.00 0.00 N ATOM 384 CA GLU A 25 2.799 18.527 10.211 1.00 0.00 C ATOM 385 C GLU A 25 1.607 19.159 10.934 1.00 0.00 C ATOM 386 O GLU A 25 1.351 20.355 10.786 1.00 0.00 O ATOM 387 CB GLU A 25 2.371 17.937 8.865 1.00 0.00 C ATOM 388 CG GLU A 25 3.533 17.659 7.925 1.00 0.00 C ATOM 389 CD GLU A 25 4.289 18.929 7.549 1.00 0.00 C ATOM 390 OE1 GLU A 25 3.720 19.772 6.820 1.00 0.00 O ATOM 391 OE2 GLU A 25 5.449 19.098 7.991 1.00 0.00 O ATOM 0 H GLU A 25 3.360 16.559 10.685 1.00 0.00 H new ATOM 0 HA GLU A 25 3.532 19.310 10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.827 17.009 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.679 18.625 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.220 16.956 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.159 17.180 7.020 1.00 0.00 H new ATOM 398 N GLU A 26 0.879 18.352 11.712 1.00 0.00 N ATOM 399 CA GLU A 26 -0.152 18.878 12.628 1.00 0.00 C ATOM 400 C GLU A 26 0.452 19.920 13.585 1.00 0.00 C ATOM 401 O GLU A 26 -0.270 20.691 14.223 1.00 0.00 O ATOM 402 CB GLU A 26 -0.808 17.739 13.428 1.00 0.00 C ATOM 403 CG GLU A 26 -1.776 16.882 12.618 1.00 0.00 C ATOM 404 CD GLU A 26 -3.064 17.615 12.270 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.912 17.800 13.171 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.246 18.005 11.099 1.00 0.00 O ATOM 0 H GLU A 26 0.979 17.337 11.730 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.920 19.362 12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.026 17.098 13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.342 18.167 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.287 16.560 11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.017 15.982 13.183 1.00 0.00 H new ATOM 413 N GLY A 27 1.780 19.917 13.681 1.00 0.00 N ATOM 414 CA GLY A 27 2.503 20.962 14.393 1.00 0.00 C ATOM 415 C GLY A 27 2.787 20.635 15.847 1.00 0.00 C ATOM 416 O GLY A 27 3.163 21.520 16.624 1.00 0.00 O ATOM 0 H GLY A 27 2.377 19.198 13.272 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.448 21.149 13.882 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.926 21.886 14.345 1.00 0.00 H new ATOM 420 N ASP A 28 2.624 19.373 16.227 1.00 0.00 N ATOM 421 CA ASP A 28 2.990 18.922 17.570 1.00 0.00 C ATOM 422 C ASP A 28 3.673 17.561 17.488 1.00 0.00 C ATOM 423 O ASP A 28 3.362 16.753 16.613 1.00 0.00 O ATOM 424 CB ASP A 28 1.764 18.862 18.499 1.00 0.00 C ATOM 425 CG ASP A 28 0.846 17.682 18.215 1.00 0.00 C ATOM 426 OD1 ASP A 28 0.046 17.755 17.261 1.00 0.00 O ATOM 427 OD2 ASP A 28 0.913 16.679 18.961 1.00 0.00 O ATOM 0 H ASP A 28 2.241 18.642 15.627 1.00 0.00 H new ATOM 0 HA ASP A 28 3.685 19.645 17.997 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.104 18.807 19.533 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.196 19.787 18.398 1.00 0.00 H new ATOM 432 N LEU A 29 4.624 17.325 18.385 1.00 0.00 N ATOM 433 CA LEU A 29 5.402 16.091 18.377 1.00 0.00 C ATOM 434 C LEU A 29 4.631 14.957 19.059 1.00 0.00 C ATOM 435 O LEU A 29 4.319 15.043 20.252 1.00 0.00 O ATOM 436 CB LEU A 29 6.762 16.300 19.069 1.00 0.00 C ATOM 437 CG LEU A 29 7.772 17.200 18.325 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.049 16.664 16.924 1.00 0.00 C ATOM 439 CD2 LEU A 29 7.288 18.649 18.269 1.00 0.00 C ATOM 0 H LEU A 29 4.876 17.975 19.130 1.00 0.00 H new ATOM 0 HA LEU A 29 5.579 15.813 17.338 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.583 16.728 20.055 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.222 15.324 19.224 1.00 0.00 H new ATOM 0 HG LEU A 29 8.707 17.184 18.885 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.763 17.315 16.420 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.462 15.658 16.994 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.120 16.636 16.355 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.021 19.257 17.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.333 18.694 17.746 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.165 19.031 19.282 1.00 0.00 H new ATOM 451 N LEU A 62 -4.545 7.450 4.889 1.00 0.00 N ATOM 452 CA LEU A 62 -4.686 6.501 3.794 1.00 0.00 C ATOM 453 C LEU A 62 -3.410 5.685 3.621 1.00 0.00 C ATOM 454 O LEU A 62 -2.435 6.142 3.013 1.00 0.00 O ATOM 455 CB LEU A 62 -5.034 7.233 2.490 1.00 0.00 C ATOM 456 CG LEU A 62 -6.373 7.991 2.504 1.00 0.00 C ATOM 457 CD1 LEU A 62 -6.596 8.714 1.179 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.530 7.038 2.805 1.00 0.00 C ATOM 0 HA LEU A 62 -5.500 5.818 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.236 7.941 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.054 6.506 1.678 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.335 8.739 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.548 9.244 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.789 9.428 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.611 7.988 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.467 7.594 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.572 6.263 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.377 6.576 3.780 1.00 0.00 H new ATOM 470 N MET A 63 -3.431 4.484 4.186 1.00 0.00 N ATOM 471 CA MET A 63 -2.352 3.515 4.033 1.00 0.00 C ATOM 472 C MET A 63 -2.979 2.137 3.870 1.00 0.00 C ATOM 473 O MET A 63 -3.584 1.605 4.807 1.00 0.00 O ATOM 474 CB MET A 63 -1.403 3.535 5.248 1.00 0.00 C ATOM 475 CG MET A 63 -0.922 4.933 5.634 1.00 0.00 C ATOM 476 SD MET A 63 0.216 4.946 7.036 1.00 0.00 S ATOM 477 CE MET A 63 -0.809 4.250 8.331 1.00 0.00 C ATOM 0 H MET A 63 -4.201 4.153 4.767 1.00 0.00 H new ATOM 0 HA MET A 63 -1.755 3.769 3.157 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.912 3.088 6.102 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.537 2.910 5.030 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.431 5.389 4.774 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.787 5.552 5.873 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.395 4.514 9.304 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.821 4.647 8.247 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.836 3.165 8.230 1.00 0.00 H new ATOM 487 N MET A 64 -2.872 1.585 2.667 1.00 0.00 N ATOM 488 CA MET A 64 -3.567 0.353 2.313 1.00 0.00 C ATOM 489 C MET A 64 -2.593 -0.806 2.145 1.00 0.00 C ATOM 490 O MET A 64 -1.558 -0.670 1.493 1.00 0.00 O ATOM 491 CB MET A 64 -4.353 0.541 1.004 1.00 0.00 C ATOM 492 CG MET A 64 -5.393 1.654 1.052 1.00 0.00 C ATOM 493 SD MET A 64 -6.313 1.811 -0.494 1.00 0.00 S ATOM 494 CE MET A 64 -7.416 3.172 -0.108 1.00 0.00 C ATOM 0 H MET A 64 -2.305 1.975 1.914 1.00 0.00 H new ATOM 0 HA MET A 64 -4.253 0.119 3.127 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.650 0.751 0.198 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.852 -0.396 0.755 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.090 1.460 1.867 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.898 2.600 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.853 3.559 -1.029 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.210 2.821 0.551 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.856 3.964 0.389 1.00 0.00 H new ATOM 504 N PHE A 65 -2.929 -1.939 2.750 1.00 0.00 N ATOM 505 CA PHE A 65 -2.241 -3.195 2.486 1.00 0.00 C ATOM 506 C PHE A 65 -3.019 -3.963 1.431 1.00 0.00 C ATOM 507 O PHE A 65 -4.248 -4.056 1.515 1.00 0.00 O ATOM 508 CB PHE A 65 -2.133 -4.050 3.755 1.00 0.00 C ATOM 509 CG PHE A 65 -1.271 -3.453 4.835 1.00 0.00 C ATOM 510 CD1 PHE A 65 0.095 -3.315 4.650 1.00 0.00 C ATOM 511 CD2 PHE A 65 -1.824 -3.043 6.037 1.00 0.00 C ATOM 512 CE1 PHE A 65 0.890 -2.778 5.642 1.00 0.00 C ATOM 513 CE2 PHE A 65 -1.032 -2.508 7.031 1.00 0.00 C ATOM 514 CZ PHE A 65 0.328 -2.374 6.833 1.00 0.00 C ATOM 0 H PHE A 65 -3.682 -2.012 3.434 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.232 -2.974 2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.134 -4.214 4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.733 -5.028 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.543 -3.631 3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.887 -3.143 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.953 -2.674 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.475 -2.194 7.964 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.949 -1.954 7.610 1.00 0.00 H new ATOM 524 N VAL A 66 -2.320 -4.503 0.442 1.00 0.00 N ATOM 525 CA VAL A 66 -2.960 -5.273 -0.614 1.00 0.00 C ATOM 526 C VAL A 66 -2.290 -6.639 -0.736 1.00 0.00 C ATOM 527 O VAL A 66 -1.153 -6.741 -1.201 1.00 0.00 O ATOM 528 CB VAL A 66 -2.886 -4.544 -1.982 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.744 -5.264 -3.024 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.300 -3.079 -1.847 1.00 0.00 C ATOM 0 H VAL A 66 -1.307 -4.421 0.350 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.010 -5.391 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.851 -4.565 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.679 -4.737 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.384 -6.285 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.782 -5.283 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.239 -2.592 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.324 -3.023 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.633 -2.575 -1.147 1.00 0.00 H new ATOM 540 N THR A 67 -2.981 -7.680 -0.284 1.00 0.00 N ATOM 541 CA THR A 67 -2.485 -9.043 -0.425 1.00 0.00 C ATOM 542 C THR A 67 -3.009 -9.636 -1.729 1.00 0.00 C ATOM 543 O THR A 67 -4.215 -9.853 -1.891 1.00 0.00 O ATOM 544 CB THR A 67 -2.870 -9.938 0.785 1.00 0.00 C ATOM 545 OG1 THR A 67 -2.523 -11.304 0.526 1.00 0.00 O ATOM 546 CG2 THR A 67 -4.353 -9.843 1.118 1.00 0.00 C ATOM 0 H THR A 67 -3.885 -7.606 0.182 1.00 0.00 H new ATOM 0 HA THR A 67 -1.396 -9.008 -0.449 1.00 0.00 H new ATOM 0 HB THR A 67 -2.309 -9.573 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.588 -11.457 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.576 -10.485 1.970 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.605 -8.812 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.940 -10.164 0.258 1.00 0.00 H new ATOM 554 N VAL A 68 -2.103 -9.840 -2.683 1.00 0.00 N ATOM 555 CA VAL A 68 -2.487 -10.312 -4.012 1.00 0.00 C ATOM 556 C VAL A 68 -2.194 -11.798 -4.171 1.00 0.00 C ATOM 557 O VAL A 68 -3.098 -12.606 -4.395 1.00 0.00 O ATOM 558 CB VAL A 68 -1.748 -9.525 -5.124 1.00 0.00 C ATOM 559 CG1 VAL A 68 -2.204 -9.980 -6.512 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.958 -8.024 -4.946 1.00 0.00 C ATOM 0 H VAL A 68 -1.102 -9.687 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.559 -10.145 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.682 -9.734 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.671 -9.412 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.991 -11.042 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.276 -9.810 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.432 -7.487 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.023 -7.797 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.569 -7.715 -3.976 1.00 0.00 H new ATOM 570 N SER A 69 -0.922 -12.145 -4.043 1.00 0.00 N ATOM 571 CA SER A 69 -0.454 -13.497 -4.305 1.00 0.00 C ATOM 572 C SER A 69 -0.906 -14.473 -3.217 1.00 0.00 C ATOM 573 O SER A 69 -1.368 -15.578 -3.513 1.00 0.00 O ATOM 574 CB SER A 69 1.075 -13.490 -4.410 1.00 0.00 C ATOM 575 OG SER A 69 1.512 -12.459 -5.281 1.00 0.00 O ATOM 0 H SER A 69 -0.187 -11.499 -3.755 1.00 0.00 H new ATOM 0 HA SER A 69 -0.889 -13.836 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.512 -13.348 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.424 -14.455 -4.777 1.00 0.00 H new ATOM 0 HG SER A 69 1.992 -11.777 -4.766 1.00 0.00 H new ATOM 581 N GLY A 70 -0.774 -14.055 -1.961 1.00 0.00 N ATOM 582 CA GLY A 70 -1.018 -14.950 -0.837 1.00 0.00 C ATOM 583 C GLY A 70 0.046 -16.033 -0.734 1.00 0.00 C ATOM 584 O GLY A 70 -0.012 -16.903 0.139 1.00 0.00 O ATOM 0 H GLY A 70 -0.501 -13.108 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.040 -14.374 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.998 -15.413 -0.948 1.00 0.00 H new ATOM 588 N ASN A 71 1.033 -15.952 -1.623 1.00 0.00 N ATOM 589 CA ASN A 71 2.095 -16.946 -1.739 1.00 0.00 C ATOM 590 C ASN A 71 3.451 -16.239 -1.650 1.00 0.00 C ATOM 591 O ASN A 71 3.652 -15.221 -2.311 1.00 0.00 O ATOM 592 CB ASN A 71 1.955 -17.682 -3.085 1.00 0.00 C ATOM 593 CG ASN A 71 2.964 -18.804 -3.284 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.383 -19.464 -2.334 1.00 0.00 O ATOM 595 ND2 ASN A 71 3.356 -19.031 -4.524 1.00 0.00 N ATOM 0 H ASN A 71 1.118 -15.185 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 71 2.022 -17.675 -0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.949 -18.095 -3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.064 -16.961 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.027 -19.774 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.987 -18.464 -5.287 1.00 0.00 H new ATOM 602 N PRO A 72 4.389 -16.753 -0.820 1.00 0.00 N ATOM 603 CA PRO A 72 5.726 -16.156 -0.630 1.00 0.00 C ATOM 604 C PRO A 72 6.475 -15.869 -1.945 1.00 0.00 C ATOM 605 O PRO A 72 7.469 -15.141 -1.951 1.00 0.00 O ATOM 606 CB PRO A 72 6.478 -17.184 0.239 1.00 0.00 C ATOM 607 CG PRO A 72 5.640 -18.422 0.195 1.00 0.00 C ATOM 608 CD PRO A 72 4.226 -17.949 0.024 1.00 0.00 C ATOM 0 HA PRO A 72 5.650 -15.173 -0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.479 -17.372 -0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.596 -16.824 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.939 -19.068 -0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.751 -19.003 1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.602 -18.702 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.760 -17.710 0.980 1.00 0.00 H new ATOM 616 N THR A 73 6.031 -16.469 -3.045 1.00 0.00 N ATOM 617 CA THR A 73 6.621 -16.196 -4.351 1.00 0.00 C ATOM 618 C THR A 73 6.379 -14.730 -4.760 1.00 0.00 C ATOM 619 O THR A 73 5.353 -14.399 -5.360 1.00 0.00 O ATOM 620 CB THR A 73 6.047 -17.153 -5.419 1.00 0.00 C ATOM 621 OG1 THR A 73 4.620 -17.025 -5.475 1.00 0.00 O ATOM 622 CG2 THR A 73 6.421 -18.600 -5.109 1.00 0.00 C ATOM 0 H THR A 73 5.267 -17.145 -3.058 1.00 0.00 H new ATOM 0 HA THR A 73 7.696 -16.363 -4.280 1.00 0.00 H new ATOM 0 HB THR A 73 6.474 -16.883 -6.385 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.379 -16.078 -5.551 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.006 -19.255 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.506 -18.700 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.018 -18.879 -4.135 1.00 0.00 H new ATOM 630 N GLU A 74 7.327 -13.862 -4.400 1.00 0.00 N ATOM 631 CA GLU A 74 7.240 -12.419 -4.663 1.00 0.00 C ATOM 632 C GLU A 74 6.983 -12.120 -6.141 1.00 0.00 C ATOM 633 O GLU A 74 6.346 -11.121 -6.477 1.00 0.00 O ATOM 634 CB GLU A 74 8.540 -11.740 -4.212 1.00 0.00 C ATOM 635 CG GLU A 74 8.590 -10.233 -4.462 1.00 0.00 C ATOM 636 CD GLU A 74 9.911 -9.618 -4.034 1.00 0.00 C ATOM 637 OE1 GLU A 74 10.916 -9.788 -4.761 1.00 0.00 O ATOM 638 OE2 GLU A 74 9.965 -8.994 -2.953 1.00 0.00 O ATOM 0 H GLU A 74 8.181 -14.139 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 74 6.395 -12.025 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.680 -11.923 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.378 -12.209 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.428 -10.038 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.776 -9.751 -3.921 1.00 0.00 H new ATOM 645 N LYS A 75 7.482 -13.000 -7.006 1.00 0.00 N ATOM 646 CA LYS A 75 7.362 -12.861 -8.462 1.00 0.00 C ATOM 647 C LYS A 75 5.979 -12.350 -8.892 1.00 0.00 C ATOM 648 O LYS A 75 5.870 -11.420 -9.699 1.00 0.00 O ATOM 649 CB LYS A 75 7.664 -14.219 -9.120 1.00 0.00 C ATOM 650 CG LYS A 75 6.807 -15.365 -8.580 1.00 0.00 C ATOM 651 CD LYS A 75 7.348 -16.736 -8.980 1.00 0.00 C ATOM 652 CE LYS A 75 7.371 -16.932 -10.491 1.00 0.00 C ATOM 653 NZ LYS A 75 7.932 -18.255 -10.872 1.00 0.00 N ATOM 0 H LYS A 75 7.986 -13.838 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 75 8.084 -12.114 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.508 -14.135 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.716 -14.461 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.760 -15.299 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.787 -15.258 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.357 -16.855 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.734 -17.513 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.358 -16.841 -10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.964 -16.141 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.930 -18.348 -11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.907 -18.333 -10.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.352 -19.011 -10.455 1.00 0.00 H new ATOM 667 N GLU A 76 4.930 -12.941 -8.320 1.00 0.00 N ATOM 668 CA GLU A 76 3.558 -12.583 -8.670 1.00 0.00 C ATOM 669 C GLU A 76 3.275 -11.125 -8.301 1.00 0.00 C ATOM 670 O GLU A 76 2.785 -10.345 -9.123 1.00 0.00 O ATOM 671 CB GLU A 76 2.567 -13.510 -7.953 1.00 0.00 C ATOM 672 CG GLU A 76 2.808 -14.999 -8.198 1.00 0.00 C ATOM 673 CD GLU A 76 2.742 -15.386 -9.669 1.00 0.00 C ATOM 674 OE1 GLU A 76 1.724 -15.079 -10.326 1.00 0.00 O ATOM 675 OE2 GLU A 76 3.700 -16.020 -10.167 1.00 0.00 O ATOM 0 H GLU A 76 5.006 -13.671 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 76 3.434 -12.701 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.618 -13.317 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.556 -13.260 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.786 -15.272 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.067 -15.576 -7.644 1.00 0.00 H new ATOM 682 N THR A 77 3.608 -10.768 -7.060 1.00 0.00 N ATOM 683 CA THR A 77 3.402 -9.411 -6.565 1.00 0.00 C ATOM 684 C THR A 77 4.237 -8.410 -7.364 1.00 0.00 C ATOM 685 O THR A 77 3.809 -7.281 -7.604 1.00 0.00 O ATOM 686 CB THR A 77 3.753 -9.300 -5.062 1.00 0.00 C ATOM 687 OG1 THR A 77 2.933 -10.196 -4.299 1.00 0.00 O ATOM 688 CG2 THR A 77 3.562 -7.876 -4.541 1.00 0.00 C ATOM 0 H THR A 77 4.023 -11.404 -6.379 1.00 0.00 H new ATOM 0 HA THR A 77 2.345 -9.176 -6.692 1.00 0.00 H new ATOM 0 HB THR A 77 4.804 -9.568 -4.950 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.502 -10.761 -3.735 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.818 -7.838 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.209 -7.196 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.522 -7.577 -4.673 1.00 0.00 H new ATOM 696 N GLU A 78 5.422 -8.837 -7.783 1.00 0.00 N ATOM 697 CA GLU A 78 6.306 -7.999 -8.582 1.00 0.00 C ATOM 698 C GLU A 78 5.635 -7.618 -9.900 1.00 0.00 C ATOM 699 O GLU A 78 5.541 -6.434 -10.245 1.00 0.00 O ATOM 700 CB GLU A 78 7.630 -8.731 -8.842 1.00 0.00 C ATOM 701 CG GLU A 78 8.615 -7.955 -9.710 1.00 0.00 C ATOM 702 CD GLU A 78 9.946 -8.675 -9.871 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.031 -9.608 -10.700 1.00 0.00 O ATOM 704 OE2 GLU A 78 10.914 -8.310 -9.173 1.00 0.00 O ATOM 0 H GLU A 78 5.794 -9.765 -7.581 1.00 0.00 H new ATOM 0 HA GLU A 78 6.516 -7.083 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.103 -8.953 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.416 -9.686 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.175 -7.789 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.788 -6.974 -9.268 1.00 0.00 H new ATOM 711 N GLU A 79 5.142 -8.624 -10.612 1.00 0.00 N ATOM 712 CA GLU A 79 4.513 -8.409 -11.912 1.00 0.00 C ATOM 713 C GLU A 79 3.237 -7.570 -11.781 1.00 0.00 C ATOM 714 O GLU A 79 3.045 -6.600 -12.524 1.00 0.00 O ATOM 715 CB GLU A 79 4.215 -9.755 -12.585 1.00 0.00 C ATOM 716 CG GLU A 79 5.469 -10.583 -12.855 1.00 0.00 C ATOM 717 CD GLU A 79 5.171 -11.909 -13.533 1.00 0.00 C ATOM 718 OE1 GLU A 79 4.867 -12.888 -12.825 1.00 0.00 O ATOM 719 OE2 GLU A 79 5.251 -11.978 -14.780 1.00 0.00 O ATOM 0 H GLU A 79 5.165 -9.599 -10.312 1.00 0.00 H new ATOM 0 HA GLU A 79 5.209 -7.852 -12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.538 -10.329 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.696 -9.576 -13.527 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.150 -10.007 -13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.983 -10.771 -11.913 1.00 0.00 H new ATOM 726 N ILE A 80 2.376 -7.922 -10.825 1.00 0.00 N ATOM 727 CA ILE A 80 1.104 -7.218 -10.659 1.00 0.00 C ATOM 728 C ILE A 80 1.335 -5.761 -10.237 1.00 0.00 C ATOM 729 O ILE A 80 0.681 -4.850 -10.749 1.00 0.00 O ATOM 730 CB ILE A 80 0.162 -7.935 -9.650 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.249 -7.316 -9.687 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.725 -7.889 -8.232 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.945 -7.446 -11.029 1.00 0.00 C ATOM 0 H ILE A 80 2.533 -8.681 -10.162 1.00 0.00 H new ATOM 0 HA ILE A 80 0.608 -7.227 -11.629 1.00 0.00 H new ATOM 0 HB ILE A 80 0.093 -8.981 -9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.864 -7.792 -8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.178 -6.260 -9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.042 -8.399 -7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.696 -8.384 -8.210 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.840 -6.851 -7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.932 -6.986 -10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.354 -6.945 -11.795 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.050 -8.501 -11.284 1.00 0.00 H new ATOM 745 N THR A 81 2.282 -5.539 -9.323 1.00 0.00 N ATOM 746 CA THR A 81 2.628 -4.188 -8.892 1.00 0.00 C ATOM 747 C THR A 81 3.225 -3.392 -10.057 1.00 0.00 C ATOM 748 O THR A 81 3.013 -2.179 -10.173 1.00 0.00 O ATOM 749 CB THR A 81 3.615 -4.210 -7.697 1.00 0.00 C ATOM 750 OG1 THR A 81 3.018 -4.900 -6.590 1.00 0.00 O ATOM 751 CG2 THR A 81 4.004 -2.799 -7.261 1.00 0.00 C ATOM 0 H THR A 81 2.820 -6.277 -8.869 1.00 0.00 H new ATOM 0 HA THR A 81 1.711 -3.700 -8.561 1.00 0.00 H new ATOM 0 HB THR A 81 4.518 -4.727 -8.021 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.141 -5.866 -6.702 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.697 -2.856 -6.421 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.482 -2.280 -8.092 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.111 -2.252 -6.958 1.00 0.00 H new ATOM 759 N SER A 82 3.959 -4.085 -10.926 1.00 0.00 N ATOM 760 CA SER A 82 4.498 -3.469 -12.134 1.00 0.00 C ATOM 761 C SER A 82 3.347 -2.949 -13.001 1.00 0.00 C ATOM 762 O SER A 82 3.394 -1.821 -13.506 1.00 0.00 O ATOM 763 CB SER A 82 5.350 -4.481 -12.913 1.00 0.00 C ATOM 764 OG SER A 82 5.969 -3.883 -14.040 1.00 0.00 O ATOM 0 H SER A 82 4.193 -5.072 -10.815 1.00 0.00 H new ATOM 0 HA SER A 82 5.137 -2.631 -11.857 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.113 -4.897 -12.256 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.723 -5.311 -13.239 1.00 0.00 H new ATOM 0 HG SER A 82 6.505 -4.553 -14.513 1.00 0.00 H new ATOM 770 N LEU A 83 2.304 -3.772 -13.148 1.00 0.00 N ATOM 771 CA LEU A 83 1.100 -3.368 -13.873 1.00 0.00 C ATOM 772 C LEU A 83 0.485 -2.133 -13.218 1.00 0.00 C ATOM 773 O LEU A 83 0.105 -1.173 -13.896 1.00 0.00 O ATOM 774 CB LEU A 83 0.070 -4.512 -13.905 1.00 0.00 C ATOM 775 CG LEU A 83 0.565 -5.823 -14.545 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.524 -6.892 -14.509 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.040 -5.584 -15.980 1.00 0.00 C ATOM 0 H LEU A 83 2.271 -4.720 -12.774 1.00 0.00 H new ATOM 0 HA LEU A 83 1.382 -3.129 -14.898 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.247 -4.722 -12.884 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.811 -4.171 -14.449 1.00 0.00 H new ATOM 0 HG LEU A 83 1.413 -6.182 -13.961 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.150 -7.808 -14.967 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.804 -7.091 -13.475 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.397 -6.541 -15.060 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.385 -6.524 -16.411 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.215 -5.193 -16.576 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.859 -4.865 -15.977 1.00 0.00 H new ATOM 789 N TRP A 84 0.414 -2.161 -11.888 1.00 0.00 N ATOM 790 CA TRP A 84 -0.130 -1.048 -11.116 1.00 0.00 C ATOM 791 C TRP A 84 0.618 0.238 -11.425 1.00 0.00 C ATOM 792 O TRP A 84 0.015 1.303 -11.511 1.00 0.00 O ATOM 793 CB TRP A 84 -0.062 -1.338 -9.615 1.00 0.00 C ATOM 794 CG TRP A 84 -0.896 -2.504 -9.190 1.00 0.00 C ATOM 795 CD1 TRP A 84 -1.813 -3.182 -9.940 1.00 0.00 C ATOM 796 CD2 TRP A 84 -0.895 -3.124 -7.901 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.375 -4.188 -9.200 1.00 0.00 N ATOM 798 CE2 TRP A 84 -1.829 -4.170 -7.942 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.193 -2.893 -6.718 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.076 -4.984 -6.844 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -0.443 -3.701 -5.629 1.00 0.00 C ATOM 802 CH2 TRP A 84 -1.379 -4.736 -5.702 1.00 0.00 C ATOM 0 H TRP A 84 0.729 -2.948 -11.321 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.175 -0.927 -11.402 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.975 -1.524 -9.336 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.385 -0.453 -9.068 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.059 -2.958 -10.967 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.083 -4.843 -9.530 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.533 -2.096 -6.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.797 -5.787 -6.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.092 -3.532 -4.706 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.553 -5.353 -4.833 1.00 0.00 H new ATOM 813 N GLN A 85 1.931 0.142 -11.590 1.00 0.00 N ATOM 814 CA GLN A 85 2.728 1.301 -11.961 1.00 0.00 C ATOM 815 C GLN A 85 2.302 1.780 -13.349 1.00 0.00 C ATOM 816 O GLN A 85 1.903 2.932 -13.526 1.00 0.00 O ATOM 817 CB GLN A 85 4.228 0.965 -11.929 1.00 0.00 C ATOM 818 CG GLN A 85 5.135 2.185 -12.064 1.00 0.00 C ATOM 819 CD GLN A 85 6.604 1.844 -11.883 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.114 1.836 -10.760 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.296 1.583 -12.979 1.00 0.00 N ATOM 0 H GLN A 85 2.463 -0.721 -11.473 1.00 0.00 H new ATOM 0 HA GLN A 85 2.558 2.101 -11.241 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.457 0.455 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.452 0.266 -12.735 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.989 2.635 -13.046 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.845 2.932 -11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.836 1.600 -13.889 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.290 1.365 -12.914 1.00 0.00 H new ATOM 830 N GLY A 86 2.372 0.868 -14.321 1.00 0.00 N ATOM 831 CA GLY A 86 1.925 1.161 -15.679 1.00 0.00 C ATOM 832 C GLY A 86 0.476 1.621 -15.769 1.00 0.00 C ATOM 833 O GLY A 86 0.055 2.135 -16.804 1.00 0.00 O ATOM 0 H GLY A 86 2.734 -0.077 -14.191 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.567 1.933 -16.103 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.051 0.269 -16.292 1.00 0.00 H new ATOM 837 N SER A 87 -0.305 1.408 -14.712 1.00 0.00 N ATOM 838 CA SER A 87 -1.689 1.884 -14.674 1.00 0.00 C ATOM 839 C SER A 87 -1.797 3.232 -13.943 1.00 0.00 C ATOM 840 O SER A 87 -2.124 4.257 -14.547 1.00 0.00 O ATOM 841 CB SER A 87 -2.580 0.838 -13.996 1.00 0.00 C ATOM 842 OG SER A 87 -2.430 -0.428 -14.616 1.00 0.00 O ATOM 0 H SER A 87 -0.006 0.911 -13.873 1.00 0.00 H new ATOM 0 HA SER A 87 -2.026 2.034 -15.699 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.322 0.764 -12.940 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.622 1.153 -14.048 1.00 0.00 H new ATOM 0 HG SER A 87 -1.546 -0.793 -14.404 1.00 0.00 H new ATOM 848 N LEU A 88 -1.497 3.219 -12.646 1.00 0.00 N ATOM 849 CA LEU A 88 -1.632 4.397 -11.786 1.00 0.00 C ATOM 850 C LEU A 88 -0.751 5.546 -12.274 1.00 0.00 C ATOM 851 O LEU A 88 -1.222 6.668 -12.464 1.00 0.00 O ATOM 852 CB LEU A 88 -1.253 4.039 -10.342 1.00 0.00 C ATOM 853 CG LEU A 88 -2.095 2.928 -9.691 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.481 2.496 -8.363 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.539 3.386 -9.492 1.00 0.00 C ATOM 0 H LEU A 88 -1.153 2.391 -12.159 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.672 4.721 -11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.206 3.735 -10.325 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.334 4.938 -9.730 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.100 2.069 -10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.091 1.710 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.472 2.120 -8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.440 3.350 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.115 2.584 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.557 4.264 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.977 3.638 -10.458 1.00 0.00 H new ATOM 867 N PHE A 89 0.528 5.253 -12.486 1.00 0.00 N ATOM 868 CA PHE A 89 1.498 6.277 -12.873 1.00 0.00 C ATOM 869 C PHE A 89 1.284 6.713 -14.318 1.00 0.00 C ATOM 870 O PHE A 89 1.705 7.798 -14.716 1.00 0.00 O ATOM 871 CB PHE A 89 2.929 5.774 -12.648 1.00 0.00 C ATOM 872 CG PHE A 89 3.268 5.601 -11.187 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.745 4.543 -10.458 1.00 0.00 C ATOM 874 CD2 PHE A 89 4.100 6.505 -10.541 1.00 0.00 C ATOM 875 CE1 PHE A 89 3.045 4.390 -9.118 1.00 0.00 C ATOM 876 CE2 PHE A 89 4.403 6.354 -9.202 1.00 0.00 C ATOM 877 CZ PHE A 89 3.875 5.297 -8.490 1.00 0.00 C ATOM 0 H PHE A 89 0.919 4.315 -12.397 1.00 0.00 H new ATOM 0 HA PHE A 89 1.345 7.152 -12.241 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.059 4.821 -13.161 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.631 6.476 -13.098 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.095 3.830 -10.944 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.515 7.336 -11.092 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.631 3.562 -8.562 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.053 7.064 -8.712 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.111 5.179 -7.443 1.00 0.00 H new ATOM 887 N ASN A 90 0.606 5.875 -15.094 1.00 0.00 N ATOM 888 CA ASN A 90 0.191 6.247 -16.446 1.00 0.00 C ATOM 889 C ASN A 90 -0.863 7.348 -16.366 1.00 0.00 C ATOM 890 O ASN A 90 -0.898 8.263 -17.196 1.00 0.00 O ATOM 891 CB ASN A 90 -0.367 5.027 -17.185 1.00 0.00 C ATOM 892 CG ASN A 90 -0.858 5.349 -18.587 1.00 0.00 C ATOM 893 OD1 ASN A 90 -0.346 6.249 -19.252 1.00 0.00 O ATOM 894 ND2 ASN A 90 -1.854 4.608 -19.045 1.00 0.00 N ATOM 0 H ASN A 90 0.331 4.934 -14.813 1.00 0.00 H new ATOM 0 HA ASN A 90 1.054 6.616 -17.000 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.407 4.261 -17.245 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.189 4.605 -16.607 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.224 4.774 -19.981 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.251 3.871 -18.462 1.00 0.00 H new ATOM 901 N ALA A 91 -1.714 7.252 -15.344 1.00 0.00 N ATOM 902 CA ALA A 91 -2.719 8.274 -15.062 1.00 0.00 C ATOM 903 C ALA A 91 -2.119 9.390 -14.199 1.00 0.00 C ATOM 904 O ALA A 91 -2.815 10.327 -13.807 1.00 0.00 O ATOM 905 CB ALA A 91 -3.927 7.652 -14.371 1.00 0.00 C ATOM 0 H ALA A 91 -1.725 6.467 -14.692 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.048 8.709 -16.006 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.668 8.425 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.365 6.892 -15.018 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.614 7.193 -13.433 1.00 0.00 H new ATOM 911 N ASN A 92 -0.823 9.253 -13.901 1.00 0.00 N ATOM 912 CA ASN A 92 -0.055 10.265 -13.169 1.00 0.00 C ATOM 913 C ASN A 92 -0.528 10.383 -11.714 1.00 0.00 C ATOM 914 O ASN A 92 -0.461 11.451 -11.104 1.00 0.00 O ATOM 915 CB ASN A 92 -0.128 11.621 -13.901 1.00 0.00 C ATOM 916 CG ASN A 92 0.843 12.660 -13.354 1.00 0.00 C ATOM 917 OD1 ASN A 92 0.489 13.474 -12.499 1.00 0.00 O ATOM 918 ND2 ASN A 92 2.073 12.632 -13.838 1.00 0.00 N ATOM 0 H ASN A 92 -0.275 8.433 -14.162 1.00 0.00 H new ATOM 0 HA ASN A 92 0.988 9.950 -13.139 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.078 11.465 -14.960 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.143 12.010 -13.828 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.768 13.300 -13.504 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.327 11.942 -14.545 1.00 0.00 H new ATOM 925 N TYR A 93 -0.992 9.270 -11.152 1.00 0.00 N ATOM 926 CA TYR A 93 -1.367 9.228 -9.738 1.00 0.00 C ATOM 927 C TYR A 93 -0.118 9.130 -8.865 1.00 0.00 C ATOM 928 O TYR A 93 0.475 8.054 -8.731 1.00 0.00 O ATOM 929 CB TYR A 93 -2.304 8.044 -9.449 1.00 0.00 C ATOM 930 CG TYR A 93 -3.671 8.151 -10.104 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.276 9.388 -10.311 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.361 7.011 -10.508 1.00 0.00 C ATOM 933 CE1 TYR A 93 -5.522 9.485 -10.900 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.608 7.103 -11.095 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.185 8.341 -11.289 1.00 0.00 C ATOM 936 OH TYR A 93 -7.427 8.433 -11.873 1.00 0.00 O ATOM 0 H TYR A 93 -1.118 8.388 -11.649 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.899 10.150 -9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.824 7.126 -9.787 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.437 7.956 -8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.762 10.288 -10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.914 6.039 -10.360 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.975 10.453 -11.055 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.130 6.208 -11.401 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.092 8.001 -11.297 1.00 0.00 H new ATOM 946 N ASP A 94 0.295 10.260 -8.295 1.00 0.00 N ATOM 947 CA ASP A 94 1.485 10.297 -7.450 1.00 0.00 C ATOM 948 C ASP A 94 1.180 9.728 -6.067 1.00 0.00 C ATOM 949 O ASP A 94 0.744 10.441 -5.161 1.00 0.00 O ATOM 950 CB ASP A 94 2.035 11.726 -7.327 1.00 0.00 C ATOM 951 CG ASP A 94 3.358 11.779 -6.569 1.00 0.00 C ATOM 952 OD1 ASP A 94 4.353 11.207 -7.071 1.00 0.00 O ATOM 953 OD2 ASP A 94 3.416 12.405 -5.485 1.00 0.00 O ATOM 0 H ASP A 94 -0.175 11.159 -8.403 1.00 0.00 H new ATOM 0 HA ASP A 94 2.248 9.679 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.174 12.146 -8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.302 12.351 -6.817 1.00 0.00 H new ATOM 958 N VAL A 95 1.365 8.421 -5.935 1.00 0.00 N ATOM 959 CA VAL A 95 1.219 7.731 -4.656 1.00 0.00 C ATOM 960 C VAL A 95 2.544 7.075 -4.285 1.00 0.00 C ATOM 961 O VAL A 95 3.377 6.821 -5.161 1.00 0.00 O ATOM 962 CB VAL A 95 0.100 6.655 -4.709 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.254 7.296 -5.005 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.425 5.574 -5.742 1.00 0.00 C ATOM 0 H VAL A 95 1.620 7.808 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 95 0.938 8.467 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 95 0.046 6.179 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.023 6.524 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.495 8.015 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.212 7.807 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.375 4.834 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.518 6.029 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.364 5.088 -5.477 1.00 0.00 H new ATOM 974 N GLN A 96 2.754 6.810 -2.999 1.00 0.00 N ATOM 975 CA GLN A 96 3.982 6.156 -2.563 1.00 0.00 C ATOM 976 C GLN A 96 3.704 4.686 -2.289 1.00 0.00 C ATOM 977 O GLN A 96 3.093 4.335 -1.278 1.00 0.00 O ATOM 978 CB GLN A 96 4.567 6.836 -1.315 1.00 0.00 C ATOM 979 CG GLN A 96 5.904 6.247 -0.853 1.00 0.00 C ATOM 980 CD GLN A 96 7.047 6.453 -1.846 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.841 6.521 -3.057 1.00 0.00 O ATOM 982 NE2 GLN A 96 8.269 6.548 -1.335 1.00 0.00 N ATOM 0 H GLN A 96 2.099 7.035 -2.250 1.00 0.00 H new ATOM 0 HA GLN A 96 4.722 6.243 -3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.702 7.898 -1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.847 6.759 -0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.178 6.698 0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.778 5.179 -0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.406 6.488 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.071 6.681 -1.951 1.00 0.00 H new ATOM 991 N ARG A 97 4.129 3.839 -3.212 1.00 0.00 N ATOM 992 CA ARG A 97 3.897 2.404 -3.109 1.00 0.00 C ATOM 993 C ARG A 97 5.201 1.690 -2.783 1.00 0.00 C ATOM 994 O ARG A 97 6.249 2.002 -3.356 1.00 0.00 O ATOM 995 CB ARG A 97 3.284 1.847 -4.415 1.00 0.00 C ATOM 996 CG ARG A 97 4.263 1.666 -5.586 1.00 0.00 C ATOM 997 CD ARG A 97 4.889 2.978 -6.051 1.00 0.00 C ATOM 998 NE ARG A 97 5.760 2.786 -7.218 1.00 0.00 N ATOM 999 CZ ARG A 97 6.891 3.466 -7.444 1.00 0.00 C ATOM 1000 NH1 ARG A 97 7.316 4.381 -6.580 1.00 0.00 N ATOM 1001 NH2 ARG A 97 7.599 3.230 -8.538 1.00 0.00 N ATOM 0 H ARG A 97 4.641 4.121 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 97 3.185 2.225 -2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.825 0.883 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.485 2.516 -4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.054 0.979 -5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.738 1.204 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.101 3.688 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.466 3.414 -5.235 1.00 0.00 H new ATOM 0 HE ARG A 97 5.484 2.085 -7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.779 4.572 -5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.179 4.893 -6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.283 2.530 -9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.461 3.748 -8.710 1.00 0.00 H new ATOM 1015 N PHE A 98 5.141 0.751 -1.851 1.00 0.00 N ATOM 1016 CA PHE A 98 6.303 -0.043 -1.487 1.00 0.00 C ATOM 1017 C PHE A 98 6.016 -1.517 -1.722 1.00 0.00 C ATOM 1018 O PHE A 98 5.053 -2.074 -1.175 1.00 0.00 O ATOM 1019 CB PHE A 98 6.708 0.190 -0.023 1.00 0.00 C ATOM 1020 CG PHE A 98 7.281 1.560 0.254 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.162 2.159 -0.639 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.940 2.246 1.409 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.683 3.411 -0.382 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.461 3.498 1.668 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.333 4.082 0.773 1.00 0.00 C ATOM 0 H PHE A 98 4.295 0.520 -1.331 1.00 0.00 H new ATOM 0 HA PHE A 98 7.136 0.270 -2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.835 0.039 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.443 -0.563 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.442 1.639 -1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.258 1.796 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.365 3.866 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.186 4.021 2.572 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.741 5.061 0.975 1.00 0.00 H new ATOM 1035 N ILE A 99 6.838 -2.131 -2.568 1.00 0.00 N ATOM 1036 CA ILE A 99 6.768 -3.561 -2.799 1.00 0.00 C ATOM 1037 C ILE A 99 7.725 -4.274 -1.843 1.00 0.00 C ATOM 1038 O ILE A 99 8.906 -4.486 -2.133 1.00 0.00 O ATOM 1039 CB ILE A 99 7.078 -3.928 -4.279 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.091 -5.457 -4.468 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.396 -3.302 -4.746 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.348 -5.899 -5.893 1.00 0.00 C ATOM 0 H ILE A 99 7.562 -1.653 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 99 5.748 -3.893 -2.604 1.00 0.00 H new ATOM 0 HB ILE A 99 6.283 -3.515 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.857 -5.886 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.133 -5.862 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.582 -3.578 -5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.332 -2.217 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.212 -3.665 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.342 -6.988 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.569 -5.501 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.319 -5.526 -6.220 1.00 0.00 H new ATOM 1054 N VAL A 100 7.199 -4.590 -0.676 1.00 0.00 N ATOM 1055 CA VAL A 100 7.926 -5.315 0.347 1.00 0.00 C ATOM 1056 C VAL A 100 6.936 -6.211 1.067 1.00 0.00 C ATOM 1057 O VAL A 100 5.834 -5.777 1.402 1.00 0.00 O ATOM 1058 CB VAL A 100 8.648 -4.359 1.339 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.668 -3.399 2.017 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.457 -5.146 2.371 1.00 0.00 C ATOM 0 H VAL A 100 6.245 -4.348 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 100 8.712 -5.912 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 100 9.344 -3.753 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.211 -2.748 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.169 -2.794 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.924 -3.970 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.951 -4.453 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.790 -5.797 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.207 -5.751 1.861 1.00 0.00 H new ATOM 1070 N GLY A 101 7.314 -7.459 1.282 1.00 0.00 N ATOM 1071 CA GLY A 101 6.346 -8.452 1.687 1.00 0.00 C ATOM 1072 C GLY A 101 5.934 -9.277 0.492 1.00 0.00 C ATOM 1073 O GLY A 101 5.182 -8.810 -0.355 1.00 0.00 O ATOM 0 H GLY A 101 8.270 -7.801 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.771 -9.096 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.474 -7.966 2.124 1.00 0.00 H new ATOM 1077 N SER A 102 6.469 -10.483 0.410 1.00 0.00 N ATOM 1078 CA SER A 102 6.338 -11.347 -0.760 1.00 0.00 C ATOM 1079 C SER A 102 4.959 -11.265 -1.441 1.00 0.00 C ATOM 1080 O SER A 102 4.875 -11.063 -2.651 1.00 0.00 O ATOM 1081 CB SER A 102 6.641 -12.776 -0.333 1.00 0.00 C ATOM 1082 OG SER A 102 7.888 -12.840 0.343 1.00 0.00 O ATOM 0 H SER A 102 7.016 -10.900 1.164 1.00 0.00 H new ATOM 0 HA SER A 102 7.049 -11.002 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.848 -13.143 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.661 -13.426 -1.207 1.00 0.00 H new ATOM 0 HG SER A 102 8.067 -13.765 0.612 1.00 0.00 H new ATOM 1088 N ASP A 103 3.885 -11.421 -0.669 1.00 0.00 N ATOM 1089 CA ASP A 103 2.522 -11.422 -1.223 1.00 0.00 C ATOM 1090 C ASP A 103 1.828 -10.074 -1.005 1.00 0.00 C ATOM 1091 O ASP A 103 0.707 -9.849 -1.493 1.00 0.00 O ATOM 1092 CB ASP A 103 1.697 -12.531 -0.562 1.00 0.00 C ATOM 1093 CG ASP A 103 1.355 -12.211 0.886 1.00 0.00 C ATOM 1094 OD1 ASP A 103 2.263 -12.252 1.738 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.184 -11.895 1.171 1.00 0.00 O ATOM 0 H ASP A 103 3.927 -11.549 0.342 1.00 0.00 H new ATOM 0 HA ASP A 103 2.596 -11.599 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.776 -12.681 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.253 -13.468 -0.603 1.00 0.00 H new ATOM 1100 N ARG A 104 2.506 -9.185 -0.286 1.00 0.00 N ATOM 1101 CA ARG A 104 1.907 -7.954 0.221 1.00 0.00 C ATOM 1102 C ARG A 104 2.523 -6.718 -0.446 1.00 0.00 C ATOM 1103 O ARG A 104 3.738 -6.548 -0.456 1.00 0.00 O ATOM 1104 CB ARG A 104 2.142 -7.888 1.744 1.00 0.00 C ATOM 1105 CG ARG A 104 1.056 -7.162 2.530 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.267 -7.918 2.474 1.00 0.00 C ATOM 1107 NE ARG A 104 -0.084 -9.366 2.661 1.00 0.00 N ATOM 1108 CZ ARG A 104 -0.478 -10.055 3.734 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.056 -9.446 4.761 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -0.282 -11.366 3.775 1.00 0.00 N ATOM 0 H ARG A 104 3.489 -9.298 -0.038 1.00 0.00 H new ATOM 0 HA ARG A 104 0.841 -7.960 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.230 -8.904 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.096 -7.394 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.369 -7.049 3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.921 -6.158 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.936 -7.535 3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.749 -7.735 1.514 1.00 0.00 H new ATOM 0 HE ARG A 104 0.379 -9.883 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.205 -8.437 4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.352 -9.987 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.167 -11.839 2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.580 -11.901 4.591 1.00 0.00 H new ATOM 1124 N ALA A 105 1.675 -5.867 -1.012 1.00 0.00 N ATOM 1125 CA ALA A 105 2.101 -4.556 -1.507 1.00 0.00 C ATOM 1126 C ALA A 105 1.417 -3.458 -0.688 1.00 0.00 C ATOM 1127 O ALA A 105 0.200 -3.511 -0.484 1.00 0.00 O ATOM 1128 CB ALA A 105 1.762 -4.413 -2.986 1.00 0.00 C ATOM 0 H ALA A 105 0.682 -6.060 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 105 3.181 -4.461 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.084 -3.434 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.273 -5.191 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.685 -4.512 -3.124 1.00 0.00 H new ATOM 1134 N ILE A 106 2.183 -2.476 -0.198 1.00 0.00 N ATOM 1135 CA ILE A 106 1.607 -1.409 0.634 1.00 0.00 C ATOM 1136 C ILE A 106 1.566 -0.073 -0.117 1.00 0.00 C ATOM 1137 O ILE A 106 2.446 0.222 -0.934 1.00 0.00 O ATOM 1138 CB ILE A 106 2.382 -1.250 1.970 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.725 -0.173 2.853 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.850 -0.921 1.709 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.423 0.047 4.177 1.00 0.00 C ATOM 0 H ILE A 106 3.187 -2.396 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 106 0.583 -1.703 0.865 1.00 0.00 H new ATOM 0 HB ILE A 106 2.340 -2.199 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.704 0.769 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.689 -0.455 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.373 -0.814 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.306 -1.725 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.920 0.012 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.900 0.820 4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.421 -0.882 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.451 0.361 3.998 1.00 0.00 H new ATOM 1153 N PHE A 107 0.533 0.731 0.166 1.00 0.00 N ATOM 1154 CA PHE A 107 0.310 2.007 -0.523 1.00 0.00 C ATOM 1155 C PHE A 107 0.016 3.123 0.478 1.00 0.00 C ATOM 1156 O PHE A 107 -0.877 2.995 1.314 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.868 1.895 -1.513 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.517 1.248 -2.831 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.195 -0.099 -2.897 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.510 1.992 -4.005 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.128 -0.689 -4.101 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -0.189 1.404 -5.212 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.131 0.064 -5.260 1.00 0.00 C ATOM 0 H PHE A 107 -0.168 0.516 0.875 1.00 0.00 H new ATOM 0 HA PHE A 107 1.221 2.247 -1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.668 1.323 -1.043 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.261 2.893 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.197 -0.693 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.759 3.042 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.378 -1.739 -4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.189 1.993 -6.117 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.384 -0.397 -6.203 1.00 0.00 H new ATOM 1173 N MET A 108 0.769 4.214 0.382 1.00 0.00 N ATOM 1174 CA MET A 108 0.522 5.407 1.188 1.00 0.00 C ATOM 1175 C MET A 108 0.127 6.567 0.281 1.00 0.00 C ATOM 1176 O MET A 108 0.873 6.934 -0.639 1.00 0.00 O ATOM 1177 CB MET A 108 1.758 5.782 2.020 1.00 0.00 C ATOM 1178 CG MET A 108 1.991 4.877 3.223 1.00 0.00 C ATOM 1179 SD MET A 108 2.290 3.158 2.772 1.00 0.00 S ATOM 1180 CE MET A 108 3.813 3.307 1.848 1.00 0.00 C ATOM 0 H MET A 108 1.563 4.297 -0.252 1.00 0.00 H new ATOM 0 HA MET A 108 -0.293 5.192 1.879 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.639 5.751 1.378 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.652 6.810 2.366 1.00 0.00 H new ATOM 0 HG2 MET A 108 2.843 5.250 3.791 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.123 4.928 3.881 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.136 2.320 1.517 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.651 3.946 0.980 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.582 3.746 2.483 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.050 7.134 0.537 1.00 0.00 N ATOM 1191 CA LEU A 109 -1.575 8.229 -0.272 1.00 0.00 C ATOM 1192 C LEU A 109 -1.545 9.538 0.513 1.00 0.00 C ATOM 1193 O LEU A 109 -1.830 9.563 1.711 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.018 7.938 -0.732 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.201 6.744 -1.694 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -2.983 5.408 -0.982 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -4.583 6.785 -2.345 1.00 0.00 C ATOM 0 H LEU A 109 -1.661 6.850 1.303 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.939 8.322 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.630 7.762 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.409 8.832 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.444 6.830 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.120 4.591 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.971 5.372 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.702 5.307 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.693 5.936 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.351 6.737 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.693 7.712 -2.908 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.178 10.620 -0.169 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.224 11.963 0.410 1.00 0.00 C ATOM 1211 C ARG A 110 -2.424 12.725 -0.147 1.00 0.00 C ATOM 1212 O ARG A 110 -2.602 13.917 0.113 1.00 0.00 O ATOM 1213 CB ARG A 110 0.081 12.721 0.120 1.00 0.00 C ATOM 1214 CG ARG A 110 1.317 12.096 0.767 1.00 0.00 C ATOM 1215 CD ARG A 110 1.227 12.085 2.293 1.00 0.00 C ATOM 1216 NE ARG A 110 2.434 11.519 2.908 1.00 0.00 N ATOM 1217 CZ ARG A 110 2.920 11.883 4.101 1.00 0.00 C ATOM 1218 NH1 ARG A 110 2.273 12.770 4.853 1.00 0.00 N ATOM 1219 NH2 ARG A 110 4.052 11.348 4.551 1.00 0.00 N ATOM 0 H ARG A 110 -0.842 10.593 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.332 11.878 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.231 12.766 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.021 13.748 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.438 11.075 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.204 12.650 0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.078 13.102 2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.357 11.506 2.601 1.00 0.00 H new ATOM 0 HE ARG A 110 2.937 10.798 2.390 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.399 13.179 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.651 13.041 5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.550 10.660 3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.421 11.626 5.460 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.243 12.019 -0.922 1.00 0.00 N ATOM 1234 CA ASP A 111 -4.455 12.581 -1.510 1.00 0.00 C ATOM 1235 C ASP A 111 -5.593 11.570 -1.389 1.00 0.00 C ATOM 1236 O ASP A 111 -5.355 10.362 -1.452 1.00 0.00 O ATOM 1237 CB ASP A 111 -4.225 12.946 -2.983 1.00 0.00 C ATOM 1238 CG ASP A 111 -5.435 13.631 -3.598 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -5.569 14.864 -3.436 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -6.268 12.941 -4.216 1.00 0.00 O ATOM 0 H ASP A 111 -3.085 11.040 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.719 13.492 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.358 13.602 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.994 12.043 -3.548 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.820 12.057 -1.215 1.00 0.00 N ATOM 1246 CA GLY A 112 -7.948 11.167 -0.979 1.00 0.00 C ATOM 1247 C GLY A 112 -9.086 11.366 -1.960 1.00 0.00 C ATOM 1248 O GLY A 112 -10.221 10.978 -1.680 1.00 0.00 O ATOM 0 H GLY A 112 -7.054 13.050 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.605 10.134 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.319 11.324 0.034 1.00 0.00 H new ATOM 1252 N SER A 113 -8.792 11.961 -3.108 1.00 0.00 N ATOM 1253 CA SER A 113 -9.808 12.194 -4.132 1.00 0.00 C ATOM 1254 C SER A 113 -10.111 10.894 -4.878 1.00 0.00 C ATOM 1255 O SER A 113 -11.271 10.523 -5.079 1.00 0.00 O ATOM 1256 CB SER A 113 -9.320 13.268 -5.110 1.00 0.00 C ATOM 1257 OG SER A 113 -8.741 14.362 -4.415 1.00 0.00 O ATOM 0 H SER A 113 -7.860 12.292 -3.356 1.00 0.00 H new ATOM 0 HA SER A 113 -10.724 12.541 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.588 12.838 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.155 13.619 -5.717 1.00 0.00 H new ATOM 0 HG SER A 113 -7.810 14.152 -4.191 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.048 10.195 -5.263 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.165 8.948 -6.021 1.00 0.00 C ATOM 1265 C TYR A 114 -8.871 7.736 -5.135 1.00 0.00 C ATOM 1266 O TYR A 114 -8.547 6.658 -5.631 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.225 8.971 -7.240 1.00 0.00 C ATOM 1268 CG TYR A 114 -6.770 9.259 -6.907 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -5.881 8.229 -6.612 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.285 10.564 -6.895 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -4.557 8.492 -6.314 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -4.963 10.833 -6.600 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.104 9.794 -6.310 1.00 0.00 C ATOM 1274 OH TYR A 114 -2.786 10.060 -6.018 1.00 0.00 O ATOM 0 H TYR A 114 -8.087 10.472 -5.062 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.192 8.861 -6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.285 8.008 -7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.580 9.725 -7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.232 7.207 -6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.955 11.381 -7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -3.881 7.681 -6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.604 11.852 -6.596 1.00 0.00 H new ATOM 0 HH TYR A 114 -2.630 11.027 -6.059 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.023 7.914 -3.822 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.729 6.857 -2.852 1.00 0.00 C ATOM 1286 C ALA A 115 -9.599 5.619 -3.086 1.00 0.00 C ATOM 1287 O ALA A 115 -9.100 4.490 -3.154 1.00 0.00 O ATOM 1288 CB ALA A 115 -8.918 7.380 -1.431 1.00 0.00 C ATOM 0 H ALA A 115 -9.350 8.785 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.689 6.559 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.697 6.585 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.244 8.219 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.949 7.709 -1.299 1.00 0.00 H new ATOM 1294 N TRP A 116 -10.899 5.833 -3.223 1.00 0.00 N ATOM 1295 CA TRP A 116 -11.833 4.728 -3.409 1.00 0.00 C ATOM 1296 C TRP A 116 -11.739 4.196 -4.836 1.00 0.00 C ATOM 1297 O TRP A 116 -12.060 3.037 -5.095 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.269 5.172 -3.073 1.00 0.00 C ATOM 1299 CG TRP A 116 -13.930 4.313 -2.028 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.083 3.590 -2.163 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.467 4.079 -0.688 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.365 2.932 -0.991 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.392 3.216 -0.073 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.364 4.521 0.053 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.247 2.784 1.243 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.222 4.090 1.359 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.158 3.228 1.943 1.00 0.00 C ATOM 0 H TRP A 116 -11.332 6.757 -3.209 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.566 3.921 -2.727 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.250 6.205 -2.725 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -13.870 5.153 -3.982 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.683 3.543 -3.059 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.171 2.328 -0.831 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.637 5.187 -0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -14.969 2.121 1.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.374 4.424 1.939 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.018 2.907 2.965 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.275 5.043 -5.750 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.112 4.653 -7.144 1.00 0.00 C ATOM 1320 C GLU A 117 -9.927 3.699 -7.302 1.00 0.00 C ATOM 1321 O GLU A 117 -10.030 2.678 -7.983 1.00 0.00 O ATOM 1322 CB GLU A 117 -10.934 5.891 -8.034 1.00 0.00 C ATOM 1323 CG GLU A 117 -10.836 5.566 -9.521 1.00 0.00 C ATOM 1324 CD GLU A 117 -10.788 6.811 -10.389 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -9.691 7.372 -10.572 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -11.848 7.229 -10.900 1.00 0.00 O ATOM 0 H GLU A 117 -11.005 6.006 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.015 4.131 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.774 6.567 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.033 6.422 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.943 4.968 -9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.691 4.957 -9.813 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.802 4.026 -6.663 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.638 3.141 -6.682 1.00 0.00 C ATOM 1335 C ILE A 118 -7.966 1.852 -5.932 1.00 0.00 C ATOM 1336 O ILE A 118 -7.601 0.757 -6.367 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.363 3.808 -6.087 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.161 2.844 -6.159 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.593 4.271 -4.650 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -3.874 3.421 -5.598 1.00 0.00 C ATOM 0 H ILE A 118 -8.673 4.887 -6.132 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.412 2.918 -7.725 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.140 4.689 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.406 1.932 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.997 2.560 -7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.683 4.732 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.405 4.998 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.856 3.414 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.076 2.683 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.602 4.316 -6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.018 3.678 -4.549 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.688 1.988 -4.816 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.184 0.828 -4.076 1.00 0.00 C ATOM 1354 C LYS A 119 -10.052 -0.042 -4.988 1.00 0.00 C ATOM 1355 O LYS A 119 -9.967 -1.273 -4.965 1.00 0.00 O ATOM 1356 CB LYS A 119 -9.989 1.281 -2.848 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.598 0.130 -2.050 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.419 0.629 -0.862 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.071 -0.523 -0.103 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.084 -1.238 -0.929 1.00 0.00 N ATOM 0 H LYS A 119 -8.941 2.888 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.333 0.240 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.339 1.861 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -10.788 1.947 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.233 -0.468 -2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.803 -0.524 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.776 1.192 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.189 1.315 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.302 -1.227 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.546 -0.139 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.630 -1.885 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.726 -0.547 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.603 -1.782 -1.673 1.00 0.00 H new ATOM 1374 N ASP A 120 -10.876 0.617 -5.800 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.740 -0.065 -6.762 1.00 0.00 C ATOM 1376 C ASP A 120 -10.904 -0.807 -7.803 1.00 0.00 C ATOM 1377 O ASP A 120 -11.207 -1.949 -8.164 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.671 0.944 -7.450 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.561 0.305 -8.504 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.520 -0.406 -8.131 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.322 0.525 -9.709 1.00 0.00 O ATOM 0 H ASP A 120 -10.964 1.633 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.347 -0.793 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.296 1.426 -6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.071 1.726 -7.914 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.829 -0.167 -8.256 1.00 0.00 N ATOM 1387 CA PHE A 121 -8.925 -0.772 -9.231 1.00 0.00 C ATOM 1388 C PHE A 121 -8.284 -2.026 -8.643 1.00 0.00 C ATOM 1389 O PHE A 121 -8.065 -3.015 -9.342 1.00 0.00 O ATOM 1390 CB PHE A 121 -7.846 0.239 -9.654 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.780 -0.338 -10.554 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.060 -0.649 -11.876 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.496 -0.566 -10.074 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.084 -1.177 -12.701 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.518 -1.094 -10.894 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.811 -1.400 -12.208 1.00 0.00 C ATOM 0 H PHE A 121 -9.562 0.773 -7.963 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.496 -1.056 -10.115 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.326 1.073 -10.166 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.372 0.643 -8.760 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.052 -0.477 -12.266 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.260 -0.327 -9.047 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.315 -1.415 -13.729 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.525 -1.267 -10.507 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.047 -1.813 -12.850 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.994 -1.971 -7.349 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.416 -3.106 -6.639 1.00 0.00 C ATOM 1408 C LEU A 122 -8.409 -4.268 -6.569 1.00 0.00 C ATOM 1409 O LEU A 122 -8.072 -5.398 -6.916 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.971 -2.681 -5.233 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.876 -1.599 -5.200 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.611 -1.131 -3.773 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.589 -2.110 -5.849 1.00 0.00 C ATOM 0 H LEU A 122 -8.151 -1.148 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.540 -3.449 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.841 -2.314 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.609 -3.561 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.232 -0.744 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.834 -0.367 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.526 -0.715 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.284 -1.976 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.829 -1.329 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.233 -2.987 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.787 -2.378 -6.887 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.644 -3.984 -6.145 1.00 0.00 N ATOM 1426 CA VAL A 123 -10.672 -5.029 -6.035 1.00 0.00 C ATOM 1427 C VAL A 123 -11.149 -5.474 -7.420 1.00 0.00 C ATOM 1428 O VAL A 123 -11.812 -6.502 -7.561 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.888 -4.571 -5.186 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -11.440 -4.117 -3.801 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.677 -3.470 -5.891 1.00 0.00 C ATOM 0 H VAL A 123 -9.956 -3.051 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 123 -10.206 -5.872 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 123 -12.551 -5.428 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -12.308 -3.800 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -10.945 -4.943 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.745 -3.283 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -13.521 -3.172 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -12.030 -2.609 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -13.044 -3.841 -6.848 1.00 0.00 H new ATOM 1441 N SER A 124 -10.797 -4.693 -8.440 1.00 0.00 N ATOM 1442 CA SER A 124 -11.114 -5.018 -9.831 1.00 0.00 C ATOM 1443 C SER A 124 -10.301 -6.222 -10.333 1.00 0.00 C ATOM 1444 O SER A 124 -10.415 -6.610 -11.499 1.00 0.00 O ATOM 1445 CB SER A 124 -10.871 -3.792 -10.728 1.00 0.00 C ATOM 1446 OG SER A 124 -11.295 -4.024 -12.065 1.00 0.00 O ATOM 0 H SER A 124 -10.285 -3.818 -8.327 1.00 0.00 H new ATOM 0 HA SER A 124 -12.168 -5.293 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.404 -2.933 -10.321 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.810 -3.541 -10.721 1.00 0.00 H new ATOM 0 HG SER A 124 -11.134 -4.961 -12.301 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.484 -6.817 -9.462 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.654 -7.949 -9.861 1.00 0.00 C ATOM 1454 C GLN A 125 -9.417 -9.249 -9.677 1.00 0.00 C ATOM 1455 O GLN A 125 -9.435 -9.836 -8.591 1.00 0.00 O ATOM 1456 CB GLN A 125 -7.338 -7.994 -9.088 1.00 0.00 C ATOM 1457 CG GLN A 125 -6.380 -6.879 -9.469 1.00 0.00 C ATOM 1458 CD GLN A 125 -5.014 -7.052 -8.836 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.338 -5.955 -8.563 1.00 0.00 O flip ATOM 1460 NE2 GLN A 125 -4.561 -8.170 -8.600 1.00 0.00 N flip ATOM 0 H GLN A 125 -9.381 -6.536 -8.487 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.409 -7.820 -10.915 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.549 -7.933 -8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.854 -8.955 -9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -6.274 -6.849 -10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.801 -5.921 -9.163 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.110 -9.000 -8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.636 -8.268 -8.181 1.00 0.00 H new ATOM 1469 N ASP A 126 -10.077 -9.660 -10.749 1.00 0.00 N ATOM 1470 CA ASP A 126 -10.876 -10.885 -10.772 1.00 0.00 C ATOM 1471 C ASP A 126 -10.099 -12.078 -10.214 1.00 0.00 C ATOM 1472 O ASP A 126 -10.660 -12.901 -9.489 1.00 0.00 O ATOM 1473 CB ASP A 126 -11.350 -11.187 -12.205 1.00 0.00 C ATOM 1474 CG ASP A 126 -12.297 -10.127 -12.747 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -11.850 -8.985 -12.987 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -13.498 -10.424 -12.932 1.00 0.00 O ATOM 0 H ASP A 126 -10.076 -9.153 -11.634 1.00 0.00 H new ATOM 0 HA ASP A 126 -11.744 -10.724 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -10.483 -11.263 -12.861 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -11.849 -12.156 -12.221 1.00 0.00 H new ATOM 1481 N ARG A 127 -8.816 -12.180 -10.562 1.00 0.00 N ATOM 1482 CA ARG A 127 -7.978 -13.283 -10.083 1.00 0.00 C ATOM 1483 C ARG A 127 -7.947 -13.365 -8.552 1.00 0.00 C ATOM 1484 O ARG A 127 -8.184 -14.437 -7.984 1.00 0.00 O ATOM 1485 CB ARG A 127 -6.543 -13.123 -10.609 1.00 0.00 C ATOM 1486 CG ARG A 127 -6.403 -13.348 -12.109 1.00 0.00 C ATOM 1487 CD ARG A 127 -4.963 -13.158 -12.575 1.00 0.00 C ATOM 1488 NE ARG A 127 -4.769 -13.585 -13.963 1.00 0.00 N ATOM 1489 CZ ARG A 127 -3.674 -13.332 -14.686 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -2.687 -12.592 -14.184 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -3.568 -13.816 -15.917 1.00 0.00 N ATOM 0 H ARG A 127 -8.335 -11.517 -11.170 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.417 -14.206 -10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.188 -12.121 -10.368 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.895 -13.825 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.737 -14.355 -12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.053 -12.655 -12.643 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -4.687 -12.108 -12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -4.295 -13.724 -11.926 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.521 -14.111 -14.408 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -2.763 -12.213 -13.240 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -1.855 -12.404 -14.743 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.322 -14.380 -16.310 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -2.733 -13.624 -16.470 1.00 0.00 H new ATOM 1505 N CYS A 128 -7.713 -12.221 -7.900 1.00 0.00 N ATOM 1506 CA CYS A 128 -7.541 -12.157 -6.444 1.00 0.00 C ATOM 1507 C CYS A 128 -6.949 -10.808 -6.042 1.00 0.00 C ATOM 1508 O CYS A 128 -6.039 -10.312 -6.710 1.00 0.00 O ATOM 1509 CB CYS A 128 -6.606 -13.274 -5.946 1.00 0.00 C ATOM 1510 SG CYS A 128 -6.327 -13.273 -4.159 1.00 0.00 S ATOM 0 H CYS A 128 -7.638 -11.316 -8.365 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.524 -12.285 -5.990 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -7.025 -14.238 -6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.645 -13.179 -6.452 1.00 0.00 H new ATOM 0 HG CYS A 128 -5.070 -13.048 -3.916 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.468 -10.227 -4.957 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.936 -8.980 -4.409 1.00 0.00 C ATOM 1518 C ALA A 129 -7.728 -8.543 -3.178 1.00 0.00 C ATOM 1519 O ALA A 129 -8.896 -8.168 -3.286 1.00 0.00 O ATOM 1520 CB ALA A 129 -6.951 -7.866 -5.455 1.00 0.00 C ATOM 0 H ALA A 129 -8.261 -10.605 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.903 -9.168 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -6.550 -6.951 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.339 -8.160 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.975 -7.691 -5.786 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.098 -8.616 -2.009 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.690 -8.086 -0.783 1.00 0.00 C ATOM 1528 C GLU A 130 -6.960 -6.818 -0.356 1.00 0.00 C ATOM 1529 O GLU A 130 -5.763 -6.853 -0.052 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.648 -9.110 0.359 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.561 -10.314 0.171 1.00 0.00 C ATOM 1532 CD GLU A 130 -8.719 -11.111 1.457 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -9.376 -10.603 2.395 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -8.188 -12.240 1.546 1.00 0.00 O ATOM 0 H GLU A 130 -6.177 -9.037 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.735 -7.859 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.623 -9.463 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.918 -8.608 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.540 -9.978 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.156 -10.959 -0.609 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.683 -5.704 -0.347 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.145 -4.430 0.115 1.00 0.00 C ATOM 1543 C VAL A 131 -7.809 -4.033 1.432 1.00 0.00 C ATOM 1544 O VAL A 131 -9.018 -4.216 1.609 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.346 -3.307 -0.939 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -8.822 -3.151 -1.306 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -6.766 -1.980 -0.444 1.00 0.00 C ATOM 0 H VAL A 131 -8.653 -5.658 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.073 -4.555 0.268 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.806 -3.598 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -8.931 -2.358 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.195 -4.088 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -9.394 -2.896 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -6.920 -1.211 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -7.266 -1.686 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.698 -2.097 -0.257 1.00 0.00 H new ATOM 1557 N THR A 132 -7.017 -3.522 2.367 1.00 0.00 N ATOM 1558 CA THR A 132 -7.525 -3.087 3.663 1.00 0.00 C ATOM 1559 C THR A 132 -6.677 -1.927 4.194 1.00 0.00 C ATOM 1560 O THR A 132 -5.506 -1.796 3.836 1.00 0.00 O ATOM 1561 CB THR A 132 -7.524 -4.257 4.683 1.00 0.00 C ATOM 1562 OG1 THR A 132 -8.315 -5.347 4.176 1.00 0.00 O ATOM 1563 CG2 THR A 132 -8.076 -3.822 6.037 1.00 0.00 C ATOM 0 H THR A 132 -6.011 -3.398 2.250 1.00 0.00 H new ATOM 0 HA THR A 132 -8.554 -2.751 3.532 1.00 0.00 H new ATOM 0 HB THR A 132 -6.491 -4.576 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 132 -8.310 -6.083 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 132 -8.060 -4.667 6.725 1.00 0.00 H new ATOM 0 HG22 THR A 132 -7.462 -3.016 6.438 1.00 0.00 H new ATOM 0 HG23 THR A 132 -9.101 -3.472 5.917 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.276 -1.084 5.032 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.588 0.075 5.599 1.00 0.00 C ATOM 1573 C LEU A 133 -5.824 -0.322 6.861 1.00 0.00 C ATOM 1574 O LEU A 133 -6.154 -1.321 7.509 1.00 0.00 O ATOM 1575 CB LEU A 133 -7.610 1.170 5.938 1.00 0.00 C ATOM 1576 CG LEU A 133 -8.466 1.667 4.759 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -9.567 2.603 5.250 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -7.598 2.361 3.711 1.00 0.00 C ATOM 0 H LEU A 133 -8.245 -1.183 5.336 1.00 0.00 H new ATOM 0 HA LEU A 133 -5.878 0.454 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.276 0.793 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.077 2.021 6.361 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.935 0.801 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.161 2.943 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.209 2.072 5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.118 3.463 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -8.225 2.703 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.095 3.215 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -6.854 1.660 3.333 1.00 0.00 H new ATOM 1590 N GLU A 134 -4.794 0.450 7.197 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.045 0.236 8.434 1.00 0.00 C ATOM 1592 C GLU A 134 -4.890 0.672 9.639 1.00 0.00 C ATOM 1593 O GLU A 134 -5.706 1.591 9.538 1.00 0.00 O ATOM 1594 CB GLU A 134 -2.716 1.022 8.410 1.00 0.00 C ATOM 1595 CG GLU A 134 -1.507 0.240 8.930 1.00 0.00 C ATOM 1596 CD GLU A 134 -1.772 -0.496 10.239 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -1.597 0.106 11.316 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -2.171 -1.686 10.193 1.00 0.00 O ATOM 0 H GLU A 134 -4.458 1.229 6.631 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.816 -0.826 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.515 1.340 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -2.832 1.926 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -1.199 -0.482 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.674 0.928 9.072 1.00 0.00 H new ATOM 1605 N GLY A 135 -4.691 0.001 10.769 1.00 0.00 N ATOM 1606 CA GLY A 135 -5.376 0.370 11.994 1.00 0.00 C ATOM 1607 C GLY A 135 -6.822 -0.089 12.020 1.00 0.00 C ATOM 1608 O GLY A 135 -7.139 -1.135 12.595 1.00 0.00 O ATOM 0 H GLY A 135 -4.063 -0.798 10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.847 -0.061 12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.341 1.453 12.112 1.00 0.00 H new ATOM 1612 N GLN A 136 -7.701 0.680 11.382 1.00 0.00 N ATOM 1613 CA GLN A 136 -9.136 0.396 11.400 1.00 0.00 C ATOM 1614 C GLN A 136 -9.766 0.693 10.043 1.00 0.00 C ATOM 1615 O GLN A 136 -9.382 1.644 9.361 1.00 0.00 O ATOM 1616 CB GLN A 136 -9.842 1.219 12.489 1.00 0.00 C ATOM 1617 CG GLN A 136 -9.388 0.891 13.906 1.00 0.00 C ATOM 1618 CD GLN A 136 -10.135 1.689 14.960 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -9.712 2.779 15.350 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -11.249 1.152 15.432 1.00 0.00 N ATOM 0 H GLN A 136 -7.445 1.508 10.844 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.260 -0.664 11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.669 2.278 12.299 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -10.917 1.054 12.415 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -9.532 -0.173 14.092 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -8.320 1.089 13.996 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -11.567 0.247 15.084 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -11.790 1.643 16.144 1.00 0.00 H new ATOM 1629 N MET A 137 -10.737 -0.130 9.664 1.00 0.00 N ATOM 1630 CA MET A 137 -11.479 0.059 8.423 1.00 0.00 C ATOM 1631 C MET A 137 -12.709 0.929 8.694 1.00 0.00 C ATOM 1632 O MET A 137 -13.589 0.530 9.458 1.00 0.00 O ATOM 1633 CB MET A 137 -11.898 -1.309 7.857 1.00 0.00 C ATOM 1634 CG MET A 137 -12.530 -1.252 6.471 1.00 0.00 C ATOM 1635 SD MET A 137 -11.383 -0.659 5.208 1.00 0.00 S ATOM 1636 CE MET A 137 -12.367 -0.867 3.724 1.00 0.00 C ATOM 0 H MET A 137 -11.031 -0.943 10.205 1.00 0.00 H new ATOM 0 HA MET A 137 -10.848 0.560 7.689 1.00 0.00 H new ATOM 0 HB2 MET A 137 -11.021 -1.955 7.817 1.00 0.00 H new ATOM 0 HB3 MET A 137 -12.604 -1.772 8.546 1.00 0.00 H new ATOM 0 HG2 MET A 137 -12.885 -2.245 6.197 1.00 0.00 H new ATOM 0 HG3 MET A 137 -13.402 -0.599 6.500 1.00 0.00 H new ATOM 0 HE1 MET A 137 -11.819 -1.479 3.007 1.00 0.00 H new ATOM 0 HE2 MET A 137 -13.307 -1.358 3.977 1.00 0.00 H new ATOM 0 HE3 MET A 137 -12.574 0.109 3.285 1.00 0.00 H new ATOM 1646 N TYR A 138 -12.755 2.119 8.088 1.00 0.00 N ATOM 1647 CA TYR A 138 -13.860 3.062 8.312 1.00 0.00 C ATOM 1648 C TYR A 138 -15.230 2.429 7.995 1.00 0.00 C ATOM 1649 O TYR A 138 -16.133 2.471 8.835 1.00 0.00 O ATOM 1650 CB TYR A 138 -13.673 4.353 7.492 1.00 0.00 C ATOM 1651 CG TYR A 138 -12.447 5.165 7.870 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -12.484 6.071 8.926 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -11.257 5.039 7.161 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -11.374 6.826 9.260 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -10.144 5.786 7.491 1.00 0.00 C ATOM 1656 CZ TYR A 138 -10.208 6.678 8.541 1.00 0.00 C ATOM 1657 OH TYR A 138 -9.103 7.432 8.865 1.00 0.00 O ATOM 0 H TYR A 138 -12.043 2.454 7.439 1.00 0.00 H new ATOM 0 HA TYR A 138 -13.842 3.317 9.372 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -13.609 4.092 6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -14.558 4.977 7.613 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -13.395 6.187 9.494 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.203 4.343 6.337 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.421 7.528 10.080 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.228 5.673 6.930 1.00 0.00 H new ATOM 0 HH TYR A 138 -8.364 7.206 8.262 1.00 0.00 H new ATOM 1667 N PRO A 139 -15.419 1.838 6.785 1.00 0.00 N ATOM 1668 CA PRO A 139 -16.687 1.185 6.426 1.00 0.00 C ATOM 1669 C PRO A 139 -17.047 0.060 7.398 1.00 0.00 C ATOM 1670 O PRO A 139 -16.574 -1.073 7.264 1.00 0.00 O ATOM 1671 CB PRO A 139 -16.434 0.631 5.012 1.00 0.00 C ATOM 1672 CG PRO A 139 -15.299 1.439 4.486 1.00 0.00 C ATOM 1673 CD PRO A 139 -14.444 1.769 5.678 1.00 0.00 C ATOM 0 HA PRO A 139 -17.528 1.877 6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -16.185 -0.430 5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -17.318 0.733 4.383 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -14.733 0.879 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -15.657 2.346 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -13.688 1.004 5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -13.917 2.714 5.546 1.00 0.00 H new ATOM 1681 N GLY A 140 -17.860 0.392 8.398 1.00 0.00 N ATOM 1682 CA GLY A 140 -18.289 -0.590 9.377 1.00 0.00 C ATOM 1683 C GLY A 140 -17.497 -0.506 10.669 1.00 0.00 C ATOM 1684 O GLY A 140 -17.357 -1.502 11.386 1.00 0.00 O ATOM 0 H GLY A 140 -18.231 1.330 8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -19.347 -0.445 9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -18.184 -1.589 8.955 1.00 0.00 H new ATOM 1688 N LYS A 141 -16.968 0.681 10.963 1.00 0.00 N ATOM 1689 CA LYS A 141 -16.232 0.918 12.209 1.00 0.00 C ATOM 1690 C LYS A 141 -17.105 0.595 13.424 1.00 0.00 C ATOM 1691 O LYS A 141 -18.221 1.109 13.553 1.00 0.00 O ATOM 1692 CB LYS A 141 -15.759 2.379 12.278 1.00 0.00 C ATOM 1693 CG LYS A 141 -14.965 2.710 13.542 1.00 0.00 C ATOM 1694 CD LYS A 141 -14.669 4.205 13.662 1.00 0.00 C ATOM 1695 CE LYS A 141 -13.878 4.526 14.926 1.00 0.00 C ATOM 1696 NZ LYS A 141 -13.703 5.988 15.118 1.00 0.00 N ATOM 0 H LYS A 141 -17.035 1.497 10.355 1.00 0.00 H new ATOM 0 HA LYS A 141 -15.362 0.261 12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -15.142 2.593 11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -16.627 3.036 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -15.525 2.381 14.417 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -14.027 2.155 13.536 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -14.108 4.536 12.788 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -15.606 4.762 13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -14.391 4.106 15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -12.900 4.048 14.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -13.160 6.161 15.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -13.191 6.386 14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -14.635 6.442 15.195 1.00 0.00 H new TER 1710 LYS A 141