USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 392 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 58 ASN : amide:sc= 0.335 X(o=0.33,f=-0.0053) USER MOD Set 1.2: A 59 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 39 CYS SG : rot -97:sc= 0.134 USER MOD Set 2.2: A 51 CYS SG : rot 81:sc= 1.74 USER MOD Set 3.1: A 40 ASN : amide:sc= -1.76! K(o=-0.58!,f=0.92) USER MOD Set 3.2: A 48 THR OG1 : rot 80:sc= 1.18 USER MOD Set 4.1: A 13 CYS SG : rot 81:sc= 0.465 USER MOD Set 4.2: A 25 CYS SG : rot -37:sc= 1.4 USER MOD Set 4.3: A 38 CYS SG : rot 26:sc= 1.79 USER MOD Set 4.4: A 42 CYS SG : rot 125:sc= 1.2 USER MOD Set 5.1: A 27 ASN : amide:sc= -0.22 X(o=2.8,f=2.4) USER MOD Set 5.2: A 34 CYS SG : rot 77:sc= 1.2 USER MOD Set 5.3: A 60 CYS SG : rot -103:sc= 1.83 USER MOD Set 6.1: A 1 THR OG1 : rot -120:sc= 0.305 USER MOD Set 6.2: A 6 HIS : no HE2:sc= -0.947 X(o=-0.64,f=-0.97) USER MOD Single : A 1 THR N :NH3+ -150:sc= 0.0195 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.62) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 12 ASN : amide:sc= 0.319 X(o=0.32,f=0) USER MOD Single : A 15 TYR OH : rot 152:sc= 0.151 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.01) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 19 GLN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -92:sc= 1.3 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.56 K(o=1.6,f=-0.0036) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc=-0.00179 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -6.733 -2.437 11.114 1.00 0.00 N ATOM 2 CA THR A 1 -6.895 -1.028 10.742 1.00 0.00 C ATOM 3 C THR A 1 -7.399 -0.980 9.289 1.00 0.00 C ATOM 4 O THR A 1 -7.390 -2.004 8.599 1.00 0.00 O ATOM 5 CB THR A 1 -5.597 -0.246 11.027 1.00 0.00 C ATOM 6 OG1 THR A 1 -5.885 0.827 11.895 1.00 0.00 O ATOM 7 CG2 THR A 1 -4.895 0.338 9.793 1.00 0.00 C ATOM 0 H1 THR A 1 -6.896 -2.547 12.135 1.00 0.00 H new ATOM 0 H2 THR A 1 -7.420 -3.016 10.589 1.00 0.00 H new ATOM 0 H3 THR A 1 -5.768 -2.749 10.882 1.00 0.00 H new ATOM 0 HA THR A 1 -7.645 -0.521 11.349 1.00 0.00 H new ATOM 0 HB THR A 1 -4.916 -0.980 11.458 1.00 0.00 H new ATOM 0 HG1 THR A 1 -5.651 1.673 11.459 1.00 0.00 H new ATOM 0 HG21 THR A 1 -3.994 0.868 10.103 1.00 0.00 H new ATOM 0 HG22 THR A 1 -4.625 -0.469 9.112 1.00 0.00 H new ATOM 0 HG23 THR A 1 -5.567 1.031 9.286 1.00 0.00 H new ATOM 15 N ASP A 2 -7.806 0.194 8.824 1.00 0.00 N ATOM 16 CA ASP A 2 -8.317 0.494 7.496 1.00 0.00 C ATOM 17 C ASP A 2 -7.403 1.554 6.852 1.00 0.00 C ATOM 18 O ASP A 2 -6.784 2.330 7.582 1.00 0.00 O ATOM 19 CB ASP A 2 -9.733 1.055 7.700 1.00 0.00 C ATOM 20 CG ASP A 2 -10.744 0.499 6.709 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.823 -0.745 6.584 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.552 1.283 6.174 1.00 0.00 O ATOM 0 H ASP A 2 -7.785 1.026 9.414 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.341 -0.381 6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.064 0.829 8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.704 2.141 7.609 1.00 0.00 H new ATOM 27 N PRO A 3 -7.311 1.671 5.516 1.00 0.00 N ATOM 28 CA PRO A 3 -6.519 2.728 4.879 1.00 0.00 C ATOM 29 C PRO A 3 -7.162 4.112 5.026 1.00 0.00 C ATOM 30 O PRO A 3 -6.539 5.115 4.695 1.00 0.00 O ATOM 31 CB PRO A 3 -6.436 2.327 3.406 1.00 0.00 C ATOM 32 CG PRO A 3 -7.715 1.523 3.172 1.00 0.00 C ATOM 33 CD PRO A 3 -7.983 0.853 4.519 1.00 0.00 C ATOM 0 HA PRO A 3 -5.539 2.815 5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.389 3.201 2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.546 1.731 3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.543 2.167 2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.584 0.787 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.053 0.795 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.600 -0.168 4.530 1.00 0.00 H new ATOM 41 N GLU A 4 -8.408 4.160 5.489 1.00 0.00 N ATOM 42 CA GLU A 4 -9.260 5.334 5.464 1.00 0.00 C ATOM 43 C GLU A 4 -8.689 6.483 6.318 1.00 0.00 C ATOM 44 O GLU A 4 -8.721 7.645 5.900 1.00 0.00 O ATOM 45 CB GLU A 4 -10.635 4.870 5.984 1.00 0.00 C ATOM 46 CG GLU A 4 -11.758 5.872 5.707 1.00 0.00 C ATOM 47 CD GLU A 4 -13.073 5.505 6.398 1.00 0.00 C ATOM 48 OE1 GLU A 4 -13.549 4.351 6.294 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.629 6.384 7.091 1.00 0.00 O ATOM 0 H GLU A 4 -8.864 3.349 5.907 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.333 5.739 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.887 3.916 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.570 4.696 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.444 6.862 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.924 5.934 4.632 1.00 0.00 H new ATOM 56 N GLU A 5 -8.167 6.174 7.514 1.00 0.00 N ATOM 57 CA GLU A 5 -7.783 7.164 8.522 1.00 0.00 C ATOM 58 C GLU A 5 -6.264 7.295 8.689 1.00 0.00 C ATOM 59 O GLU A 5 -5.803 7.934 9.634 1.00 0.00 O ATOM 60 CB GLU A 5 -8.557 6.931 9.839 1.00 0.00 C ATOM 61 CG GLU A 5 -7.970 6.009 10.921 1.00 0.00 C ATOM 62 CD GLU A 5 -8.381 6.403 12.347 1.00 0.00 C ATOM 63 OE1 GLU A 5 -9.524 6.110 12.791 1.00 0.00 O ATOM 64 OE2 GLU A 5 -7.548 7.016 13.061 1.00 0.00 O ATOM 0 H GLU A 5 -7.998 5.212 7.810 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.084 8.147 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.719 7.907 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.538 6.536 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.291 4.985 10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.883 6.022 10.848 1.00 0.00 H new ATOM 71 N HIS A 6 -5.476 6.696 7.792 1.00 0.00 N ATOM 72 CA HIS A 6 -4.027 6.623 7.896 1.00 0.00 C ATOM 73 C HIS A 6 -3.433 7.018 6.554 1.00 0.00 C ATOM 74 O HIS A 6 -3.664 6.342 5.556 1.00 0.00 O ATOM 75 CB HIS A 6 -3.581 5.205 8.275 1.00 0.00 C ATOM 76 CG HIS A 6 -4.090 4.724 9.610 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.386 4.699 10.798 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.356 4.264 9.862 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.213 4.218 11.739 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.411 3.904 11.215 1.00 0.00 N ATOM 0 H HIS A 6 -5.842 6.240 6.956 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.680 7.300 8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.917 4.514 7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.492 5.170 8.282 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -2.418 4.991 10.935 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.163 4.192 9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.951 4.099 12.780 1.00 0.00 H new ATOM 88 N PHE A 7 -2.637 8.078 6.540 1.00 0.00 N ATOM 89 CA PHE A 7 -1.770 8.473 5.440 1.00 0.00 C ATOM 90 C PHE A 7 -0.482 8.944 6.124 1.00 0.00 C ATOM 91 O PHE A 7 -0.569 9.575 7.184 1.00 0.00 O ATOM 92 CB PHE A 7 -2.460 9.594 4.631 1.00 0.00 C ATOM 93 CG PHE A 7 -2.302 9.557 3.119 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.101 9.138 2.526 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.363 9.968 2.287 1.00 0.00 C ATOM 96 CE1 PHE A 7 -0.979 9.051 1.132 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.244 9.896 0.887 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.068 9.387 0.318 1.00 0.00 C ATOM 0 H PHE A 7 -2.576 8.716 7.334 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.558 7.675 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.525 9.569 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.079 10.551 4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.260 8.879 3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.275 10.341 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.050 8.726 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.053 10.231 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.002 9.254 -0.752 1.00 0.00 H new ATOM 108 N ASP A 8 0.701 8.630 5.588 1.00 0.00 N ATOM 109 CA ASP A 8 1.934 9.320 5.980 1.00 0.00 C ATOM 110 C ASP A 8 2.946 9.219 4.834 1.00 0.00 C ATOM 111 O ASP A 8 3.831 8.361 4.876 1.00 0.00 O ATOM 112 CB ASP A 8 2.513 8.819 7.318 1.00 0.00 C ATOM 113 CG ASP A 8 3.491 9.874 7.836 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.009 10.938 8.296 1.00 0.00 O ATOM 115 OD2 ASP A 8 4.725 9.697 7.726 1.00 0.00 O ATOM 0 H ASP A 8 0.831 7.904 4.883 1.00 0.00 H new ATOM 0 HA ASP A 8 1.696 10.369 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.714 8.653 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.021 7.864 7.180 1.00 0.00 H new ATOM 120 N PRO A 9 2.779 10.015 3.762 1.00 0.00 N ATOM 121 CA PRO A 9 3.637 9.925 2.596 1.00 0.00 C ATOM 122 C PRO A 9 5.004 10.515 2.914 1.00 0.00 C ATOM 123 O PRO A 9 5.131 11.741 3.016 1.00 0.00 O ATOM 124 CB PRO A 9 2.940 10.698 1.478 1.00 0.00 C ATOM 125 CG PRO A 9 1.913 11.597 2.173 1.00 0.00 C ATOM 126 CD PRO A 9 1.796 11.079 3.609 1.00 0.00 C ATOM 0 HA PRO A 9 3.799 8.891 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.655 11.290 0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.455 10.019 0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.235 12.638 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.950 11.554 1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.982 11.881 4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.791 10.705 3.803 1.00 0.00 H new ATOM 134 N ASN A 10 6.042 9.685 3.023 1.00 0.00 N ATOM 135 CA ASN A 10 7.405 10.217 3.010 1.00 0.00 C ATOM 136 C ASN A 10 7.751 10.700 1.599 1.00 0.00 C ATOM 137 O ASN A 10 6.942 10.585 0.671 1.00 0.00 O ATOM 138 CB ASN A 10 8.441 9.246 3.593 1.00 0.00 C ATOM 139 CG ASN A 10 8.628 7.956 2.810 1.00 0.00 C ATOM 140 OD1 ASN A 10 9.128 7.945 1.687 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.282 6.838 3.418 1.00 0.00 N ATOM 0 H ASN A 10 5.971 8.672 3.119 1.00 0.00 H new ATOM 0 HA ASN A 10 7.444 11.075 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.401 9.758 3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.148 8.995 4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.428 5.940 2.956 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.869 6.871 4.350 1.00 0.00 H new ATOM 148 N THR A 11 8.922 11.313 1.427 1.00 0.00 N ATOM 149 CA THR A 11 9.350 11.991 0.202 1.00 0.00 C ATOM 150 C THR A 11 9.758 11.011 -0.915 1.00 0.00 C ATOM 151 O THR A 11 10.790 11.175 -1.571 1.00 0.00 O ATOM 152 CB THR A 11 10.417 13.032 0.564 1.00 0.00 C ATOM 153 OG1 THR A 11 11.423 12.505 1.414 1.00 0.00 O ATOM 154 CG2 THR A 11 9.795 14.219 1.313 1.00 0.00 C ATOM 0 H THR A 11 9.626 11.353 2.164 1.00 0.00 H new ATOM 0 HA THR A 11 8.506 12.522 -0.238 1.00 0.00 H new ATOM 0 HB THR A 11 10.854 13.341 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.080 13.204 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.573 14.942 1.558 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.043 14.694 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.327 13.865 2.231 1.00 0.00 H new ATOM 162 N ASN A 12 8.940 9.981 -1.123 1.00 0.00 N ATOM 163 CA ASN A 12 8.983 9.031 -2.223 1.00 0.00 C ATOM 164 C ASN A 12 7.596 8.918 -2.866 1.00 0.00 C ATOM 165 O ASN A 12 7.519 8.674 -4.073 1.00 0.00 O ATOM 166 CB ASN A 12 9.441 7.660 -1.700 1.00 0.00 C ATOM 167 CG ASN A 12 10.097 6.782 -2.739 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.104 6.136 -2.456 1.00 0.00 O ATOM 169 ND2 ASN A 12 9.514 6.660 -3.910 1.00 0.00 N ATOM 0 H ASN A 12 8.176 9.778 -0.478 1.00 0.00 H new ATOM 0 HA ASN A 12 9.691 9.378 -2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.140 7.814 -0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.578 7.135 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.896 6.019 -4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.679 7.206 -4.123 1.00 0.00 H new ATOM 176 N CYS A 13 6.523 9.064 -2.074 1.00 0.00 N ATOM 177 CA CYS A 13 5.152 8.910 -2.520 1.00 0.00 C ATOM 178 C CYS A 13 4.754 9.924 -3.589 1.00 0.00 C ATOM 179 O CYS A 13 5.109 11.098 -3.501 1.00 0.00 O ATOM 180 CB CYS A 13 4.239 9.037 -1.302 1.00 0.00 C ATOM 181 SG CYS A 13 2.492 8.747 -1.660 1.00 0.00 S ATOM 0 H CYS A 13 6.599 9.298 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 13 5.052 7.929 -2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.566 8.329 -0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.352 10.035 -0.879 1.00 0.00 H new ATOM 0 HG CYS A 13 2.265 7.468 -1.707 1.00 0.00 H new ATOM 186 N ASP A 14 3.927 9.485 -4.542 1.00 0.00 N ATOM 187 CA ASP A 14 3.238 10.345 -5.511 1.00 0.00 C ATOM 188 C ASP A 14 1.717 10.215 -5.392 1.00 0.00 C ATOM 189 O ASP A 14 0.995 11.166 -5.701 1.00 0.00 O ATOM 190 CB ASP A 14 3.645 9.981 -6.951 1.00 0.00 C ATOM 191 CG ASP A 14 4.784 10.842 -7.490 1.00 0.00 C ATOM 192 OD1 ASP A 14 4.535 11.912 -8.082 1.00 0.00 O ATOM 193 OD2 ASP A 14 5.962 10.420 -7.402 1.00 0.00 O ATOM 0 H ASP A 14 3.712 8.496 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 14 3.531 11.371 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.944 8.933 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.779 10.086 -7.604 1.00 0.00 H new ATOM 198 N TYR A 15 1.191 9.043 -5.019 1.00 0.00 N ATOM 199 CA TYR A 15 -0.249 8.807 -5.017 1.00 0.00 C ATOM 200 C TYR A 15 -0.856 9.401 -3.760 1.00 0.00 C ATOM 201 O TYR A 15 -0.428 9.131 -2.647 1.00 0.00 O ATOM 202 CB TYR A 15 -0.593 7.328 -5.224 1.00 0.00 C ATOM 203 CG TYR A 15 -0.564 6.871 -6.680 1.00 0.00 C ATOM 204 CD1 TYR A 15 0.073 7.606 -7.709 1.00 0.00 C ATOM 205 CD2 TYR A 15 -1.269 5.707 -7.019 1.00 0.00 C ATOM 206 CE1 TYR A 15 -0.058 7.213 -9.052 1.00 0.00 C ATOM 207 CE2 TYR A 15 -1.428 5.326 -8.360 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.845 6.093 -9.390 1.00 0.00 C ATOM 209 OH TYR A 15 -1.033 5.764 -10.692 1.00 0.00 O ATOM 0 H TYR A 15 1.747 8.244 -4.714 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.696 9.315 -5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.108 6.721 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.586 7.138 -4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.664 8.475 -7.460 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.695 5.096 -6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.446 7.771 -9.828 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.999 4.442 -8.604 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.185 4.799 -10.767 1.00 0.00 H new ATOM 219 N THR A 16 -1.861 10.242 -3.962 1.00 0.00 N ATOM 220 CA THR A 16 -2.409 11.135 -2.957 1.00 0.00 C ATOM 221 C THR A 16 -3.911 10.871 -2.823 1.00 0.00 C ATOM 222 O THR A 16 -4.724 11.797 -2.771 1.00 0.00 O ATOM 223 CB THR A 16 -1.989 12.583 -3.275 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.004 12.844 -4.678 1.00 0.00 O ATOM 225 CG2 THR A 16 -0.564 12.862 -2.782 1.00 0.00 C ATOM 0 H THR A 16 -2.332 10.322 -4.863 1.00 0.00 H new ATOM 0 HA THR A 16 -2.003 10.948 -1.963 1.00 0.00 H new ATOM 0 HB THR A 16 -2.710 13.224 -2.767 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.734 13.772 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.292 13.891 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.517 12.713 -1.703 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.131 12.181 -3.273 1.00 0.00 H new ATOM 233 N ASN A 17 -4.302 9.591 -2.815 1.00 0.00 N ATOM 234 CA ASN A 17 -5.619 9.146 -2.359 1.00 0.00 C ATOM 235 C ASN A 17 -5.427 7.802 -1.676 1.00 0.00 C ATOM 236 O ASN A 17 -4.554 7.042 -2.096 1.00 0.00 O ATOM 237 CB ASN A 17 -6.614 8.934 -3.507 1.00 0.00 C ATOM 238 CG ASN A 17 -6.811 10.157 -4.379 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.762 10.913 -4.211 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.910 10.368 -5.319 1.00 0.00 N ATOM 0 H ASN A 17 -3.703 8.828 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.024 9.917 -1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.267 8.108 -4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.577 8.637 -3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.993 11.179 -5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.130 9.720 -5.433 1.00 0.00 H new ATOM 247 N SER A 18 -6.293 7.464 -0.718 1.00 0.00 N ATOM 248 CA SER A 18 -6.267 6.174 -0.033 1.00 0.00 C ATOM 249 C SER A 18 -6.415 5.037 -1.058 1.00 0.00 C ATOM 250 O SER A 18 -5.599 4.120 -1.061 1.00 0.00 O ATOM 251 CB SER A 18 -7.316 6.140 1.105 1.00 0.00 C ATOM 252 OG SER A 18 -8.536 6.755 0.724 1.00 0.00 O ATOM 0 H SER A 18 -7.036 8.083 -0.395 1.00 0.00 H new ATOM 0 HA SER A 18 -5.303 6.026 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.506 5.106 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.914 6.646 1.983 1.00 0.00 H new ATOM 0 HG SER A 18 -9.171 6.711 1.469 1.00 0.00 H new ATOM 258 N GLN A 19 -7.396 5.128 -1.967 1.00 0.00 N ATOM 259 CA GLN A 19 -7.706 4.090 -2.948 1.00 0.00 C ATOM 260 C GLN A 19 -6.518 3.762 -3.846 1.00 0.00 C ATOM 261 O GLN A 19 -6.067 2.627 -3.853 1.00 0.00 O ATOM 262 CB GLN A 19 -8.898 4.513 -3.821 1.00 0.00 C ATOM 263 CG GLN A 19 -9.351 3.396 -4.781 1.00 0.00 C ATOM 264 CD GLN A 19 -10.191 2.342 -4.073 1.00 0.00 C ATOM 265 OE1 GLN A 19 -11.329 2.633 -3.709 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.698 1.131 -3.899 1.00 0.00 N ATOM 0 H GLN A 19 -8.005 5.943 -2.039 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.957 3.193 -2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.732 4.797 -3.179 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.626 5.396 -4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.928 3.831 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.476 2.923 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.751 0.916 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.264 0.409 -3.453 1.00 0.00 H new ATOM 275 N ASP A 20 -6.067 4.702 -4.682 1.00 0.00 N ATOM 276 CA ASP A 20 -5.129 4.377 -5.761 1.00 0.00 C ATOM 277 C ASP A 20 -3.801 3.925 -5.175 1.00 0.00 C ATOM 278 O ASP A 20 -3.245 2.942 -5.656 1.00 0.00 O ATOM 279 CB ASP A 20 -4.967 5.552 -6.733 1.00 0.00 C ATOM 280 CG ASP A 20 -5.924 5.387 -7.922 1.00 0.00 C ATOM 281 OD1 ASP A 20 -7.095 5.817 -7.811 1.00 0.00 O ATOM 282 OD2 ASP A 20 -5.547 4.777 -8.953 1.00 0.00 O ATOM 0 H ASP A 20 -6.333 5.685 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.535 3.551 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.172 6.491 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.938 5.601 -7.088 1.00 0.00 H new ATOM 287 N ALA A 21 -3.317 4.585 -4.117 1.00 0.00 N ATOM 288 CA ALA A 21 -2.159 4.121 -3.368 1.00 0.00 C ATOM 289 C ALA A 21 -2.378 2.682 -2.890 1.00 0.00 C ATOM 290 O ALA A 21 -1.565 1.814 -3.193 1.00 0.00 O ATOM 291 CB ALA A 21 -1.865 5.073 -2.207 1.00 0.00 C ATOM 0 H ALA A 21 -3.720 5.452 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.285 4.119 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.996 4.715 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.661 6.070 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.727 5.113 -1.542 1.00 0.00 H new ATOM 297 N TRP A 22 -3.479 2.395 -2.184 1.00 0.00 N ATOM 298 CA TRP A 22 -3.802 1.050 -1.715 1.00 0.00 C ATOM 299 C TRP A 22 -3.766 0.059 -2.878 1.00 0.00 C ATOM 300 O TRP A 22 -3.038 -0.930 -2.827 1.00 0.00 O ATOM 301 CB TRP A 22 -5.165 1.054 -1.009 1.00 0.00 C ATOM 302 CG TRP A 22 -5.654 -0.260 -0.491 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.454 -1.125 -1.152 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.437 -0.837 0.826 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.756 -2.191 -0.323 1.00 0.00 N ATOM 306 CE2 TRP A 22 -6.159 -2.061 0.919 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.715 -0.423 1.961 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.149 -2.838 2.093 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.742 -1.160 3.153 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.429 -2.378 3.208 1.00 0.00 C ATOM 0 H TRP A 22 -4.172 3.096 -1.923 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.053 0.730 -0.991 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -5.114 1.752 -0.173 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.908 1.444 -1.705 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.803 -1.004 -2.167 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.347 -2.977 -0.594 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.128 0.482 1.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.687 -3.774 2.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.232 -0.788 4.029 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.405 -2.967 4.113 1.00 0.00 H new ATOM 321 N ASP A 23 -4.515 0.319 -3.945 1.00 0.00 N ATOM 322 CA ASP A 23 -4.641 -0.542 -5.116 1.00 0.00 C ATOM 323 C ASP A 23 -3.240 -0.926 -5.609 1.00 0.00 C ATOM 324 O ASP A 23 -2.867 -2.102 -5.658 1.00 0.00 O ATOM 325 CB ASP A 23 -5.426 0.174 -6.236 1.00 0.00 C ATOM 326 CG ASP A 23 -6.927 0.376 -6.007 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.504 -0.172 -5.043 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.536 1.109 -6.822 1.00 0.00 O ATOM 0 H ASP A 23 -5.073 1.169 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.191 -1.442 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.972 1.152 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.296 -0.393 -7.158 1.00 0.00 H new ATOM 333 N TYR A 24 -2.426 0.072 -5.941 1.00 0.00 N ATOM 334 CA TYR A 24 -1.121 -0.142 -6.533 1.00 0.00 C ATOM 335 C TYR A 24 -0.183 -0.824 -5.527 1.00 0.00 C ATOM 336 O TYR A 24 0.397 -1.863 -5.857 1.00 0.00 O ATOM 337 CB TYR A 24 -0.581 1.191 -7.061 1.00 0.00 C ATOM 338 CG TYR A 24 -1.154 1.615 -8.405 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.539 1.819 -8.573 1.00 0.00 C ATOM 340 CD2 TYR A 24 -0.290 1.831 -9.496 1.00 0.00 C ATOM 341 CE1 TYR A 24 -3.056 2.221 -9.812 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.798 2.209 -10.750 1.00 0.00 C ATOM 343 CZ TYR A 24 -2.184 2.411 -10.910 1.00 0.00 C ATOM 344 OH TYR A 24 -2.674 2.868 -12.093 1.00 0.00 O ATOM 0 H TYR A 24 -2.660 1.055 -5.804 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.195 -0.820 -7.383 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.792 1.970 -6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.503 1.121 -7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.208 1.664 -7.739 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.775 1.705 -9.367 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.117 2.385 -9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.130 2.344 -11.588 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.944 2.944 -12.742 1.00 0.00 H new ATOM 354 N CYS A 25 -0.070 -0.314 -4.295 1.00 0.00 N ATOM 355 CA CYS A 25 0.777 -0.871 -3.237 1.00 0.00 C ATOM 356 C CYS A 25 0.505 -2.358 -2.992 1.00 0.00 C ATOM 357 O CYS A 25 1.414 -3.125 -2.663 1.00 0.00 O ATOM 358 CB CYS A 25 0.540 -0.130 -1.916 1.00 0.00 C ATOM 359 SG CYS A 25 1.156 1.564 -1.789 1.00 0.00 S ATOM 0 H CYS A 25 -0.579 0.519 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 25 1.806 -0.749 -3.576 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.533 -0.113 -1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.995 -0.714 -1.116 1.00 0.00 H new ATOM 0 HG CYS A 25 2.288 1.662 -2.420 1.00 0.00 H new ATOM 364 N THR A 26 -0.753 -2.773 -3.125 1.00 0.00 N ATOM 365 CA THR A 26 -1.217 -4.116 -2.790 1.00 0.00 C ATOM 366 C THR A 26 -1.055 -5.073 -3.992 1.00 0.00 C ATOM 367 O THR A 26 -1.170 -6.289 -3.836 1.00 0.00 O ATOM 368 CB THR A 26 -2.599 -4.007 -2.123 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.597 -3.508 -2.991 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.495 -3.123 -0.867 1.00 0.00 C ATOM 0 H THR A 26 -1.496 -2.169 -3.477 1.00 0.00 H new ATOM 0 HA THR A 26 -0.594 -4.602 -2.039 1.00 0.00 H new ATOM 0 HB THR A 26 -2.905 -5.017 -1.850 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.655 -2.534 -2.898 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.474 -3.046 -0.394 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.788 -3.568 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.149 -2.129 -1.149 1.00 0.00 H new ATOM 378 N ASN A 27 -0.670 -4.547 -5.168 1.00 0.00 N ATOM 379 CA ASN A 27 -0.535 -5.214 -6.473 1.00 0.00 C ATOM 380 C ASN A 27 -1.880 -5.608 -7.084 1.00 0.00 C ATOM 381 O ASN A 27 -1.946 -6.449 -7.981 1.00 0.00 O ATOM 382 CB ASN A 27 0.444 -6.394 -6.445 1.00 0.00 C ATOM 383 CG ASN A 27 0.945 -6.749 -7.840 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.641 -5.961 -8.467 1.00 0.00 O ATOM 385 ND2 ASN A 27 0.668 -7.930 -8.350 1.00 0.00 N ATOM 0 H ASN A 27 -0.424 -3.559 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.100 -4.464 -7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.292 -6.147 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.046 -7.262 -6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.033 -8.188 -9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.088 -8.587 -7.828 1.00 0.00 H new ATOM 392 N TYR A 28 -2.954 -4.965 -6.629 1.00 0.00 N ATOM 393 CA TYR A 28 -4.236 -4.956 -7.320 1.00 0.00 C ATOM 394 C TYR A 28 -4.010 -4.524 -8.773 1.00 0.00 C ATOM 395 O TYR A 28 -4.556 -5.116 -9.703 1.00 0.00 O ATOM 396 CB TYR A 28 -5.114 -3.946 -6.582 1.00 0.00 C ATOM 397 CG TYR A 28 -6.591 -3.948 -6.854 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.405 -4.983 -6.364 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.167 -2.811 -7.442 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.802 -4.852 -6.425 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.552 -2.673 -7.513 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.380 -3.689 -6.986 1.00 0.00 C ATOM 403 OH TYR A 28 -10.722 -3.497 -6.927 1.00 0.00 O ATOM 0 H TYR A 28 -2.955 -4.431 -5.760 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.711 -5.937 -7.330 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.974 -4.103 -5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.736 -2.949 -6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.960 -5.873 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.531 -2.036 -7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.435 -5.639 -6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.989 -1.796 -7.967 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.950 -2.647 -7.359 1.00 0.00 H new ATOM 413 N ILE A 29 -3.137 -3.527 -8.958 1.00 0.00 N ATOM 414 CA ILE A 29 -2.717 -2.972 -10.229 1.00 0.00 C ATOM 415 C ILE A 29 -1.206 -3.200 -10.304 1.00 0.00 C ATOM 416 O ILE A 29 -0.456 -2.770 -9.424 1.00 0.00 O ATOM 417 CB ILE A 29 -3.134 -1.494 -10.338 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.648 -1.316 -10.084 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.738 -0.923 -11.708 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.603 -1.951 -11.104 1.00 0.00 C ATOM 0 H ILE A 29 -2.683 -3.065 -8.170 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.197 -3.453 -11.081 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.603 -0.937 -9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.878 -1.729 -9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.861 -0.248 -10.039 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.040 0.123 -11.768 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.658 -0.996 -11.834 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.234 -1.490 -12.496 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.634 -1.753 -10.810 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.419 -1.524 -12.090 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.436 -3.028 -11.138 1.00 0.00 H new ATOM 432 N VAL A 30 -0.766 -3.935 -11.318 1.00 0.00 N ATOM 433 CA VAL A 30 0.631 -4.257 -11.586 1.00 0.00 C ATOM 434 C VAL A 30 1.446 -2.984 -11.850 1.00 0.00 C ATOM 435 O VAL A 30 1.073 -2.176 -12.704 1.00 0.00 O ATOM 436 CB VAL A 30 0.715 -5.252 -12.763 1.00 0.00 C ATOM 437 CG1 VAL A 30 0.613 -6.670 -12.202 1.00 0.00 C ATOM 438 CG2 VAL A 30 -0.347 -5.075 -13.865 1.00 0.00 C ATOM 0 H VAL A 30 -1.400 -4.341 -12.006 1.00 0.00 H new ATOM 0 HA VAL A 30 1.067 -4.732 -10.707 1.00 0.00 H new ATOM 0 HB VAL A 30 1.669 -5.054 -13.251 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.670 -7.389 -13.019 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.433 -6.846 -11.506 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.337 -6.788 -11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.195 -5.825 -14.641 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.341 -5.195 -13.435 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.257 -4.080 -14.300 1.00 0.00 H new ATOM 448 N ASN A 31 2.516 -2.754 -11.076 1.00 0.00 N ATOM 449 CA ASN A 31 3.244 -1.477 -11.081 1.00 0.00 C ATOM 450 C ASN A 31 4.670 -1.469 -10.480 1.00 0.00 C ATOM 451 O ASN A 31 5.277 -0.403 -10.502 1.00 0.00 O ATOM 452 CB ASN A 31 2.386 -0.390 -10.394 1.00 0.00 C ATOM 453 CG ASN A 31 2.406 -0.438 -8.879 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.020 0.405 -8.238 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.695 -1.368 -8.270 1.00 0.00 N ATOM 0 H ASN A 31 2.900 -3.445 -10.431 1.00 0.00 H new ATOM 0 HA ASN A 31 3.407 -1.274 -12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.736 0.590 -10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.355 -0.489 -10.735 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.652 -1.391 -7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.189 -2.064 -8.818 1.00 0.00 H new ATOM 462 N SER A 32 5.224 -2.577 -9.965 1.00 0.00 N ATOM 463 CA SER A 32 6.434 -2.654 -9.121 1.00 0.00 C ATOM 464 C SER A 32 6.235 -2.010 -7.729 1.00 0.00 C ATOM 465 O SER A 32 5.186 -1.442 -7.424 1.00 0.00 O ATOM 466 CB SER A 32 7.698 -2.131 -9.848 1.00 0.00 C ATOM 467 OG SER A 32 8.446 -3.150 -10.499 1.00 0.00 O ATOM 0 H SER A 32 4.819 -3.498 -10.134 1.00 0.00 H new ATOM 0 HA SER A 32 6.607 -3.714 -8.936 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.400 -1.385 -10.584 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.340 -1.627 -9.125 1.00 0.00 H new ATOM 0 HG SER A 32 9.227 -2.753 -10.938 1.00 0.00 H new ATOM 473 N SER A 33 7.239 -2.163 -6.853 1.00 0.00 N ATOM 474 CA SER A 33 7.379 -1.722 -5.461 1.00 0.00 C ATOM 475 C SER A 33 6.360 -2.350 -4.492 1.00 0.00 C ATOM 476 O SER A 33 6.451 -2.213 -3.267 1.00 0.00 O ATOM 477 CB SER A 33 7.437 -0.191 -5.441 1.00 0.00 C ATOM 478 OG SER A 33 7.752 0.303 -4.157 1.00 0.00 O ATOM 0 H SER A 33 8.079 -2.664 -7.144 1.00 0.00 H new ATOM 0 HA SER A 33 8.319 -2.102 -5.060 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.183 0.154 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.477 0.214 -5.761 1.00 0.00 H new ATOM 0 HG SER A 33 7.782 1.282 -4.182 1.00 0.00 H new ATOM 484 N CYS A 34 5.400 -3.100 -5.024 1.00 0.00 N ATOM 485 CA CYS A 34 4.323 -3.688 -4.243 1.00 0.00 C ATOM 486 C CYS A 34 4.901 -4.660 -3.207 1.00 0.00 C ATOM 487 O CYS A 34 5.818 -5.427 -3.503 1.00 0.00 O ATOM 488 CB CYS A 34 3.328 -4.359 -5.186 1.00 0.00 C ATOM 489 SG CYS A 34 4.059 -5.622 -6.254 1.00 0.00 S ATOM 0 H CYS A 34 5.350 -3.317 -6.019 1.00 0.00 H new ATOM 0 HA CYS A 34 3.786 -2.917 -3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.534 -4.814 -4.595 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.863 -3.595 -5.810 1.00 0.00 H new ATOM 0 HG CYS A 34 4.262 -6.707 -5.567 1.00 0.00 H new ATOM 494 N GLY A 35 4.401 -4.606 -1.977 1.00 0.00 N ATOM 495 CA GLY A 35 5.037 -5.203 -0.815 1.00 0.00 C ATOM 496 C GLY A 35 5.045 -4.189 0.316 1.00 0.00 C ATOM 497 O GLY A 35 4.361 -3.164 0.215 1.00 0.00 O ATOM 0 H GLY A 35 3.523 -4.135 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.500 -6.102 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.056 -5.506 -1.057 1.00 0.00 H new ATOM 501 N GLU A 36 5.727 -4.490 1.428 1.00 0.00 N ATOM 502 CA GLU A 36 5.662 -3.629 2.621 1.00 0.00 C ATOM 503 C GLU A 36 6.171 -2.221 2.267 1.00 0.00 C ATOM 504 O GLU A 36 5.688 -1.237 2.807 1.00 0.00 O ATOM 505 CB GLU A 36 6.421 -4.220 3.826 1.00 0.00 C ATOM 506 CG GLU A 36 7.898 -3.835 3.994 1.00 0.00 C ATOM 507 CD GLU A 36 8.587 -4.753 5.008 1.00 0.00 C ATOM 508 OE1 GLU A 36 8.355 -4.612 6.228 1.00 0.00 O ATOM 509 OE2 GLU A 36 9.331 -5.675 4.587 1.00 0.00 O ATOM 0 H GLU A 36 6.323 -5.311 1.529 1.00 0.00 H new ATOM 0 HA GLU A 36 4.619 -3.566 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.892 -3.927 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.362 -5.306 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.407 -3.901 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.973 -2.799 4.325 1.00 0.00 H new ATOM 516 N ILE A 37 7.122 -2.155 1.329 1.00 0.00 N ATOM 517 CA ILE A 37 7.882 -1.000 0.859 1.00 0.00 C ATOM 518 C ILE A 37 6.959 0.116 0.406 1.00 0.00 C ATOM 519 O ILE A 37 7.011 1.188 0.999 1.00 0.00 O ATOM 520 CB ILE A 37 8.850 -1.465 -0.247 1.00 0.00 C ATOM 521 CG1 ILE A 37 9.850 -2.424 0.439 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.540 -0.296 -0.987 1.00 0.00 C ATOM 523 CD1 ILE A 37 10.964 -2.882 -0.478 1.00 0.00 C ATOM 0 H ILE A 37 7.405 -2.999 0.831 1.00 0.00 H new ATOM 0 HA ILE A 37 8.471 -0.580 1.675 1.00 0.00 H new ATOM 0 HB ILE A 37 8.308 -1.975 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.284 -1.926 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.311 -3.296 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.207 -0.693 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.784 0.334 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.115 0.296 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.630 -3.552 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.539 -3.408 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.526 -2.016 -0.828 1.00 0.00 H new ATOM 535 N CYS A 38 6.160 -0.103 -0.638 1.00 0.00 N ATOM 536 CA CYS A 38 5.358 0.975 -1.193 1.00 0.00 C ATOM 537 C CYS A 38 4.302 1.431 -0.187 1.00 0.00 C ATOM 538 O CYS A 38 4.047 2.622 -0.041 1.00 0.00 O ATOM 539 CB CYS A 38 4.724 0.511 -2.498 1.00 0.00 C ATOM 540 SG CYS A 38 4.115 1.880 -3.493 1.00 0.00 S ATOM 0 H CYS A 38 6.055 -1.003 -1.107 1.00 0.00 H new ATOM 0 HA CYS A 38 5.996 1.833 -1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.457 -0.054 -3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.900 -0.168 -2.277 1.00 0.00 H new ATOM 0 HG CYS A 38 4.782 2.957 -3.203 1.00 0.00 H new ATOM 545 N CYS A 39 3.739 0.490 0.578 1.00 0.00 N ATOM 546 CA CYS A 39 2.873 0.816 1.693 1.00 0.00 C ATOM 547 C CYS A 39 3.596 1.737 2.664 1.00 0.00 C ATOM 548 O CYS A 39 3.043 2.752 3.035 1.00 0.00 O ATOM 549 CB CYS A 39 2.425 -0.466 2.377 1.00 0.00 C ATOM 550 SG CYS A 39 1.654 -1.648 1.263 1.00 0.00 S ATOM 0 H CYS A 39 3.876 -0.511 0.435 1.00 0.00 H new ATOM 0 HA CYS A 39 1.989 1.341 1.331 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.287 -0.935 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.722 -0.217 3.172 1.00 0.00 H new ATOM 0 HG CYS A 39 0.361 -1.531 1.334 1.00 0.00 H new ATOM 555 N ASN A 40 4.834 1.420 3.033 1.00 0.00 N ATOM 556 CA ASN A 40 5.663 2.235 3.913 1.00 0.00 C ATOM 557 C ASN A 40 6.006 3.599 3.305 1.00 0.00 C ATOM 558 O ASN A 40 6.376 4.510 4.041 1.00 0.00 O ATOM 559 CB ASN A 40 6.966 1.470 4.230 1.00 0.00 C ATOM 560 CG ASN A 40 7.012 0.957 5.658 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.021 1.082 6.346 1.00 0.00 O ATOM 562 ND2 ASN A 40 5.961 0.304 6.119 1.00 0.00 N ATOM 0 H ASN A 40 5.299 0.568 2.720 1.00 0.00 H new ATOM 0 HA ASN A 40 5.092 2.423 4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.065 0.630 3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.819 2.126 4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.983 -0.102 7.054 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.127 0.206 5.540 1.00 0.00 H new ATOM 569 N ASP A 41 5.954 3.733 1.977 1.00 0.00 N ATOM 570 CA ASP A 41 6.242 4.968 1.257 1.00 0.00 C ATOM 571 C ASP A 41 5.043 5.917 1.268 1.00 0.00 C ATOM 572 O ASP A 41 5.224 7.098 1.580 1.00 0.00 O ATOM 573 CB ASP A 41 6.874 4.674 -0.120 1.00 0.00 C ATOM 574 CG ASP A 41 6.056 4.913 -1.387 1.00 0.00 C ATOM 575 OD1 ASP A 41 5.506 6.010 -1.588 1.00 0.00 O ATOM 576 OD2 ASP A 41 6.133 4.047 -2.284 1.00 0.00 O ATOM 0 H ASP A 41 5.703 2.961 1.359 1.00 0.00 H new ATOM 0 HA ASP A 41 7.013 5.530 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.781 5.274 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.182 3.628 -0.122 1.00 0.00 H new ATOM 581 N CYS A 42 3.830 5.401 1.033 1.00 0.00 N ATOM 582 CA CYS A 42 2.609 6.203 1.008 1.00 0.00 C ATOM 583 C CYS A 42 1.934 6.294 2.380 1.00 0.00 C ATOM 584 O CYS A 42 1.425 7.343 2.765 1.00 0.00 O ATOM 585 CB CYS A 42 1.600 5.608 0.017 1.00 0.00 C ATOM 586 SG CYS A 42 2.208 5.243 -1.652 1.00 0.00 S ATOM 0 H CYS A 42 3.672 4.409 0.854 1.00 0.00 H new ATOM 0 HA CYS A 42 2.909 7.206 0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.208 4.685 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.762 6.300 -0.071 1.00 0.00 H new ATOM 0 HG CYS A 42 1.979 3.995 -1.934 1.00 0.00 H new ATOM 591 N PHE A 43 1.837 5.183 3.102 1.00 0.00 N ATOM 592 CA PHE A 43 1.048 5.033 4.314 1.00 0.00 C ATOM 593 C PHE A 43 1.960 5.009 5.540 1.00 0.00 C ATOM 594 O PHE A 43 3.156 4.725 5.470 1.00 0.00 O ATOM 595 CB PHE A 43 0.209 3.738 4.256 1.00 0.00 C ATOM 596 CG PHE A 43 -0.919 3.725 3.243 1.00 0.00 C ATOM 597 CD1 PHE A 43 -2.171 4.264 3.589 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.753 3.104 1.992 1.00 0.00 C ATOM 599 CE1 PHE A 43 -3.253 4.188 2.698 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.838 3.016 1.102 1.00 0.00 C ATOM 601 CZ PHE A 43 -3.087 3.558 1.453 1.00 0.00 C ATOM 0 H PHE A 43 2.328 4.327 2.845 1.00 0.00 H new ATOM 0 HA PHE A 43 0.372 5.885 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.877 2.905 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.214 3.557 5.244 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.301 4.741 4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.207 2.695 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.209 4.612 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.712 2.530 0.146 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.918 3.490 0.766 1.00 0.00 H new ATOM 611 N ASP A 44 1.340 5.218 6.700 1.00 0.00 N ATOM 612 CA ASP A 44 1.954 4.989 8.001 1.00 0.00 C ATOM 613 C ASP A 44 2.245 3.502 8.183 1.00 0.00 C ATOM 614 O ASP A 44 1.749 2.651 7.441 1.00 0.00 O ATOM 615 CB ASP A 44 0.984 5.432 9.100 1.00 0.00 C ATOM 616 CG ASP A 44 1.642 5.897 10.396 1.00 0.00 C ATOM 617 OD1 ASP A 44 2.722 5.396 10.785 1.00 0.00 O ATOM 618 OD2 ASP A 44 0.979 6.709 11.081 1.00 0.00 O ATOM 0 H ASP A 44 0.380 5.557 6.760 1.00 0.00 H new ATOM 0 HA ASP A 44 2.883 5.556 8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.367 6.243 8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.314 4.603 9.328 1.00 0.00 H new ATOM 623 N GLU A 45 2.930 3.172 9.268 1.00 0.00 N ATOM 624 CA GLU A 45 3.144 1.821 9.756 1.00 0.00 C ATOM 625 C GLU A 45 1.815 1.125 10.040 1.00 0.00 C ATOM 626 O GLU A 45 1.654 -0.025 9.640 1.00 0.00 O ATOM 627 CB GLU A 45 3.971 1.855 11.040 1.00 0.00 C ATOM 628 CG GLU A 45 5.478 1.988 10.815 1.00 0.00 C ATOM 629 CD GLU A 45 6.195 2.059 12.163 1.00 0.00 C ATOM 630 OE1 GLU A 45 6.354 1.014 12.837 1.00 0.00 O ATOM 631 OE2 GLU A 45 6.540 3.180 12.603 1.00 0.00 O ATOM 0 H GLU A 45 3.373 3.875 9.860 1.00 0.00 H new ATOM 0 HA GLU A 45 3.677 1.266 8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.632 2.689 11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.779 0.944 11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.846 1.138 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.691 2.884 10.231 1.00 0.00 H new ATOM 638 N THR A 46 0.870 1.791 10.719 1.00 0.00 N ATOM 639 CA THR A 46 -0.366 1.119 11.131 1.00 0.00 C ATOM 640 C THR A 46 -1.260 0.871 9.914 1.00 0.00 C ATOM 641 O THR A 46 -1.768 -0.242 9.755 1.00 0.00 O ATOM 642 CB THR A 46 -1.051 1.929 12.239 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.229 1.890 13.385 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.430 1.422 12.651 1.00 0.00 C ATOM 0 H THR A 46 0.936 2.772 10.989 1.00 0.00 H new ATOM 0 HA THR A 46 -0.143 0.139 11.552 1.00 0.00 H new ATOM 0 HB THR A 46 -1.193 2.931 11.833 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.648 2.404 14.106 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.832 2.059 13.439 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.098 1.445 11.790 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.347 0.399 13.019 1.00 0.00 H new ATOM 652 N GLY A 47 -1.398 1.869 9.028 1.00 0.00 N ATOM 653 CA GLY A 47 -2.058 1.708 7.737 1.00 0.00 C ATOM 654 C GLY A 47 -1.410 0.553 6.978 1.00 0.00 C ATOM 655 O GLY A 47 -2.086 -0.407 6.588 1.00 0.00 O ATOM 0 H GLY A 47 -1.050 2.813 9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.121 1.513 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.979 2.628 7.158 1.00 0.00 H new ATOM 659 N THR A 48 -0.078 0.599 6.858 1.00 0.00 N ATOM 660 CA THR A 48 0.693 -0.475 6.270 1.00 0.00 C ATOM 661 C THR A 48 0.340 -1.809 6.911 1.00 0.00 C ATOM 662 O THR A 48 0.134 -2.743 6.155 1.00 0.00 O ATOM 663 CB THR A 48 2.204 -0.189 6.279 1.00 0.00 C ATOM 664 OG1 THR A 48 2.476 0.933 5.477 1.00 0.00 O ATOM 665 CG2 THR A 48 3.004 -1.360 5.695 1.00 0.00 C ATOM 0 H THR A 48 0.486 1.389 7.170 1.00 0.00 H new ATOM 0 HA THR A 48 0.418 -0.540 5.217 1.00 0.00 H new ATOM 0 HB THR A 48 2.494 -0.025 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.267 1.750 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.067 -1.122 5.718 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.820 -2.257 6.287 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.694 -1.535 4.665 1.00 0.00 H new ATOM 673 N GLY A 49 0.169 -1.929 8.226 1.00 0.00 N ATOM 674 CA GLY A 49 -0.236 -3.157 8.896 1.00 0.00 C ATOM 675 C GLY A 49 -1.354 -3.920 8.171 1.00 0.00 C ATOM 676 O GLY A 49 -1.298 -5.152 8.089 1.00 0.00 O ATOM 0 H GLY A 49 0.313 -1.151 8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.632 -3.809 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.569 -2.916 9.905 1.00 0.00 H new ATOM 680 N ALA A 50 -2.356 -3.214 7.639 1.00 0.00 N ATOM 681 CA ALA A 50 -3.445 -3.767 6.834 1.00 0.00 C ATOM 682 C ALA A 50 -3.059 -3.952 5.372 1.00 0.00 C ATOM 683 O ALA A 50 -3.420 -4.957 4.754 1.00 0.00 O ATOM 684 CB ALA A 50 -4.618 -2.787 6.917 1.00 0.00 C ATOM 0 H ALA A 50 -2.432 -2.204 7.763 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.699 -4.752 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.452 -3.167 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.929 -2.678 7.956 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.310 -1.817 6.527 1.00 0.00 H new ATOM 690 N CYS A 51 -2.357 -2.978 4.807 1.00 0.00 N ATOM 691 CA CYS A 51 -1.936 -2.949 3.424 1.00 0.00 C ATOM 692 C CYS A 51 -0.909 -4.064 3.165 1.00 0.00 C ATOM 693 O CYS A 51 -0.796 -4.569 2.048 1.00 0.00 O ATOM 694 CB CYS A 51 -1.420 -1.536 3.148 1.00 0.00 C ATOM 695 SG CYS A 51 -1.527 -0.941 1.444 1.00 0.00 S ATOM 0 H CYS A 51 -2.056 -2.154 5.328 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.751 -3.153 2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.972 -0.844 3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.376 -1.490 3.458 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.734 -0.520 1.206 1.00 0.00 H new ATOM 700 N ARG A 52 -0.207 -4.537 4.208 1.00 0.00 N ATOM 701 CA ARG A 52 0.634 -5.706 4.138 1.00 0.00 C ATOM 702 C ARG A 52 -0.192 -6.931 3.866 1.00 0.00 C ATOM 703 O ARG A 52 0.146 -7.611 2.919 1.00 0.00 O ATOM 704 CB ARG A 52 1.550 -5.978 5.320 1.00 0.00 C ATOM 705 CG ARG A 52 2.529 -4.857 5.686 1.00 0.00 C ATOM 706 CD ARG A 52 3.678 -5.333 6.578 1.00 0.00 C ATOM 707 NE ARG A 52 4.628 -6.224 5.893 1.00 0.00 N ATOM 708 CZ ARG A 52 5.812 -6.625 6.378 1.00 0.00 C ATOM 709 NH1 ARG A 52 6.179 -6.279 7.608 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.638 -7.358 5.636 1.00 0.00 N ATOM 0 H ARG A 52 -0.219 -4.100 5.129 1.00 0.00 H new ATOM 0 HA ARG A 52 1.310 -5.472 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.931 -6.191 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.125 -6.880 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.940 -4.428 4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.987 -4.061 6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.216 -4.464 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.264 -5.853 7.442 1.00 0.00 H new ATOM 0 HE ARG A 52 4.363 -6.566 4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.560 -5.708 8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.080 -6.584 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.373 -7.621 4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.536 -7.657 6.016 1.00 0.00 H new ATOM 724 N ALA A 53 -1.259 -7.214 4.623 1.00 0.00 N ATOM 725 CA ALA A 53 -2.123 -8.360 4.335 1.00 0.00 C ATOM 726 C ALA A 53 -2.512 -8.350 2.855 1.00 0.00 C ATOM 727 O ALA A 53 -2.312 -9.340 2.150 1.00 0.00 O ATOM 728 CB ALA A 53 -3.363 -8.351 5.237 1.00 0.00 C ATOM 0 H ALA A 53 -1.542 -6.666 5.436 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.577 -9.279 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.989 -9.212 5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.054 -8.399 6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.929 -7.435 5.068 1.00 0.00 H new ATOM 734 N GLN A 54 -2.972 -7.192 2.376 1.00 0.00 N ATOM 735 CA GLN A 54 -3.389 -7.016 0.987 1.00 0.00 C ATOM 736 C GLN A 54 -2.246 -7.156 -0.053 1.00 0.00 C ATOM 737 O GLN A 54 -2.532 -7.261 -1.243 1.00 0.00 O ATOM 738 CB GLN A 54 -4.065 -5.647 0.859 1.00 0.00 C ATOM 739 CG GLN A 54 -5.028 -5.524 -0.332 1.00 0.00 C ATOM 740 CD GLN A 54 -6.424 -6.116 -0.096 1.00 0.00 C ATOM 741 OE1 GLN A 54 -6.875 -6.305 1.030 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.160 -6.397 -1.154 1.00 0.00 N ATOM 0 H GLN A 54 -3.065 -6.349 2.943 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.079 -7.827 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.614 -5.439 1.777 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.294 -4.882 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.135 -4.470 -0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.581 -6.017 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.787 -6.241 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.102 -6.770 -1.036 1.00 0.00 H new ATOM 751 N ALA A 55 -0.967 -7.184 0.327 1.00 0.00 N ATOM 752 CA ALA A 55 0.137 -7.495 -0.590 1.00 0.00 C ATOM 753 C ALA A 55 0.849 -8.799 -0.224 1.00 0.00 C ATOM 754 O ALA A 55 1.652 -9.299 -0.993 1.00 0.00 O ATOM 755 CB ALA A 55 1.165 -6.361 -0.582 1.00 0.00 C ATOM 0 H ALA A 55 -0.664 -6.991 1.282 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.302 -7.610 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.979 -6.603 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.687 -5.434 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.562 -6.237 0.425 1.00 0.00 H new ATOM 761 N PHE A 56 0.604 -9.349 0.954 1.00 0.00 N ATOM 762 CA PHE A 56 1.233 -10.563 1.429 1.00 0.00 C ATOM 763 C PHE A 56 0.525 -11.756 0.808 1.00 0.00 C ATOM 764 O PHE A 56 1.156 -12.714 0.363 1.00 0.00 O ATOM 765 CB PHE A 56 1.098 -10.617 2.956 1.00 0.00 C ATOM 766 CG PHE A 56 1.818 -11.818 3.551 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.156 -12.099 3.217 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.120 -12.725 4.364 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.825 -13.197 3.774 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.776 -13.846 4.897 1.00 0.00 C ATOM 771 CZ PHE A 56 3.138 -14.060 4.635 1.00 0.00 C ATOM 0 H PHE A 56 -0.056 -8.950 1.621 1.00 0.00 H new ATOM 0 HA PHE A 56 2.287 -10.583 1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.502 -9.702 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.043 -10.657 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.675 -11.458 2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.075 -12.560 4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.864 -13.376 3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.230 -14.547 5.511 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.655 -14.889 5.097 1.00 0.00 H new ATOM 781 N GLY A 57 -0.805 -11.686 0.845 1.00 0.00 N ATOM 782 CA GLY A 57 -1.670 -12.816 0.571 1.00 0.00 C ATOM 783 C GLY A 57 -3.000 -12.405 -0.045 1.00 0.00 C ATOM 784 O GLY A 57 -4.056 -12.693 0.514 1.00 0.00 O ATOM 0 H GLY A 57 -1.311 -10.829 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.159 -13.503 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.856 -13.358 1.498 1.00 0.00 H new ATOM 788 N ASN A 58 -2.949 -11.709 -1.180 1.00 0.00 N ATOM 789 CA ASN A 58 -4.093 -11.217 -1.929 1.00 0.00 C ATOM 790 C ASN A 58 -3.763 -11.116 -3.417 1.00 0.00 C ATOM 791 O ASN A 58 -4.405 -11.759 -4.248 1.00 0.00 O ATOM 792 CB ASN A 58 -4.425 -9.832 -1.382 1.00 0.00 C ATOM 793 CG ASN A 58 -5.340 -9.039 -2.318 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.477 -9.422 -2.585 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.839 -7.939 -2.852 1.00 0.00 N ATOM 0 H ASN A 58 -2.062 -11.463 -1.620 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.936 -11.899 -1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.906 -9.934 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.501 -9.276 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.399 -7.387 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.893 -7.642 -2.614 1.00 0.00 H new ATOM 802 N SER A 59 -2.765 -10.289 -3.732 1.00 0.00 N ATOM 803 CA SER A 59 -2.250 -10.096 -5.070 1.00 0.00 C ATOM 804 C SER A 59 -0.755 -10.422 -5.051 1.00 0.00 C ATOM 805 O SER A 59 -0.404 -11.547 -5.412 1.00 0.00 O ATOM 806 CB SER A 59 -2.604 -8.682 -5.541 1.00 0.00 C ATOM 807 OG SER A 59 -3.934 -8.620 -6.005 1.00 0.00 O ATOM 0 H SER A 59 -2.284 -9.722 -3.034 1.00 0.00 H new ATOM 0 HA SER A 59 -2.703 -10.766 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.469 -7.977 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.923 -8.379 -6.337 1.00 0.00 H new ATOM 0 HG SER A 59 -4.187 -7.684 -6.147 1.00 0.00 H new ATOM 813 N CYS A 60 0.112 -9.511 -4.581 1.00 0.00 N ATOM 814 CA CYS A 60 1.563 -9.664 -4.722 1.00 0.00 C ATOM 815 C CYS A 60 2.045 -10.993 -4.130 1.00 0.00 C ATOM 816 O CYS A 60 1.609 -11.396 -3.050 1.00 0.00 O ATOM 817 CB CYS A 60 2.320 -8.495 -4.084 1.00 0.00 C ATOM 818 SG CYS A 60 4.061 -8.437 -4.550 1.00 0.00 S ATOM 0 H CYS A 60 -0.172 -8.658 -4.098 1.00 0.00 H new ATOM 0 HA CYS A 60 1.778 -9.664 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.842 -7.559 -4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.243 -8.570 -2.999 1.00 0.00 H new ATOM 0 HG CYS A 60 4.788 -8.883 -3.569 1.00 0.00 H new ATOM 823 N LEU A 61 2.913 -11.701 -4.852 1.00 0.00 N ATOM 824 CA LEU A 61 3.340 -13.036 -4.461 1.00 0.00 C ATOM 825 C LEU A 61 4.283 -12.993 -3.264 1.00 0.00 C ATOM 826 O LEU A 61 4.153 -13.831 -2.375 1.00 0.00 O ATOM 827 CB LEU A 61 3.978 -13.790 -5.646 1.00 0.00 C ATOM 828 CG LEU A 61 3.226 -15.071 -6.046 1.00 0.00 C ATOM 829 CD1 LEU A 61 3.115 -16.079 -4.892 1.00 0.00 C ATOM 830 CD2 LEU A 61 1.838 -14.766 -6.619 1.00 0.00 C ATOM 0 H LEU A 61 3.335 -11.365 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 61 2.450 -13.587 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.023 -13.123 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.005 -14.048 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 61 3.827 -15.533 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.575 -16.963 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.114 -16.367 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.577 -15.623 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.342 -15.699 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.243 -14.242 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.940 -14.140 -7.506 1.00 0.00 H new ATOM 842 N ASN A 62 5.208 -12.029 -3.226 1.00 0.00 N ATOM 843 CA ASN A 62 6.122 -11.778 -2.122 1.00 0.00 C ATOM 844 C ASN A 62 6.156 -10.281 -1.851 1.00 0.00 C ATOM 845 O ASN A 62 6.427 -9.483 -2.750 1.00 0.00 O ATOM 846 CB ASN A 62 7.535 -12.341 -2.348 1.00 0.00 C ATOM 847 CG ASN A 62 7.975 -12.515 -3.799 1.00 0.00 C ATOM 848 OD1 ASN A 62 8.370 -11.577 -4.486 1.00 0.00 O ATOM 849 ND2 ASN A 62 7.872 -13.723 -4.329 1.00 0.00 N ATOM 0 H ASN A 62 5.341 -11.378 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 62 5.746 -12.312 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.248 -11.682 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.599 -13.310 -1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.121 -13.874 -5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.544 -14.503 -3.760 1.00 0.00 H new ATOM 856 N TRP A 63 5.802 -9.943 -0.612 1.00 0.00 N ATOM 857 CA TRP A 63 5.715 -8.612 -0.030 1.00 0.00 C ATOM 858 C TRP A 63 7.076 -8.054 0.391 1.00 0.00 C ATOM 859 O TRP A 63 7.112 -6.904 0.884 1.00 0.00 O ATOM 860 CB TRP A 63 4.809 -8.719 1.207 1.00 0.00 C ATOM 861 CG TRP A 63 5.326 -9.486 2.406 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.345 -10.373 2.402 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.832 -9.508 3.787 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.561 -10.864 3.670 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.648 -10.376 4.569 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.730 -8.939 4.449 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.422 -10.617 5.934 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.469 -9.181 5.814 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.324 -10.008 6.562 1.00 0.00 C ATOM 0 H TRP A 63 5.547 -10.660 0.067 1.00 0.00 H new ATOM 0 HA TRP A 63 5.318 -7.928 -0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 63 4.572 -7.707 1.535 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.872 -9.180 0.895 1.00 0.00 H new ATOM 0 HD1 TRP A 63 6.911 -10.657 1.527 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.310 -11.513 3.912 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.062 -8.296 3.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.084 -11.262 6.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.609 -8.729 6.286 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.138 -10.174 7.613 1.00 0.00 H new TER 880 TRP A 63