USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 700 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 39 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 78:sc= 0.689 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -0.0526 USER MOD Set 2.2: A 17 SER OG : rot -160:sc= -0.676 USER MOD Single : A 1 VAL N :NH3+ -173:sc= -0.24 (180deg=-0.272) USER MOD Single : A 2 SER OG : rot 79:sc= 1.13 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.933! USER MOD Single : A 21 SER OG : rot 130:sc= -2.37 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00941 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.0094) USER MOD Single : A 43 SER OG : rot -74:sc= 0.66 USER MOD Single : A 46 GLN : amide:sc= -0.832 K(o=-0.83,f=-3.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 72:sc= 0.705 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 43:sc= 0.0815 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -82:sc= 0.0791 USER MOD Single : A 85 SER OG : rot 110:sc= -2.03! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.48) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.076 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.378 18.408 -14.229 1.00 0.00 N ATOM 2 CA VAL A 1 6.847 18.528 -14.387 1.00 0.00 C ATOM 3 C VAL A 1 7.543 18.150 -13.086 1.00 0.00 C ATOM 4 O VAL A 1 8.753 18.053 -13.028 1.00 0.00 O ATOM 5 CB VAL A 1 7.217 19.978 -14.740 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.257 20.815 -13.458 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.597 20.000 -15.401 1.00 0.00 C ATOM 0 H1 VAL A 1 4.917 18.552 -15.150 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.144 17.461 -13.868 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.041 19.127 -13.557 1.00 0.00 H new ATOM 0 HA VAL A 1 7.167 17.858 -15.185 1.00 0.00 H new ATOM 0 HB VAL A 1 6.476 20.390 -15.425 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.519 21.844 -13.703 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.278 20.794 -12.979 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.002 20.403 -12.778 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.863 21.026 -15.653 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.337 19.592 -14.712 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.575 19.397 -16.309 1.00 0.00 H new ATOM 19 N SER A 2 6.761 17.943 -12.061 1.00 0.00 N ATOM 20 CA SER A 2 7.351 17.571 -10.753 1.00 0.00 C ATOM 21 C SER A 2 6.376 16.719 -9.955 1.00 0.00 C ATOM 22 O SER A 2 6.228 16.892 -8.761 1.00 0.00 O ATOM 23 CB SER A 2 7.644 18.858 -9.967 1.00 0.00 C ATOM 24 OG SER A 2 6.391 19.210 -9.400 1.00 0.00 O ATOM 0 H SER A 2 5.744 18.016 -12.077 1.00 0.00 H new ATOM 0 HA SER A 2 8.265 17.001 -10.919 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.397 18.692 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.022 19.646 -10.619 1.00 0.00 H new ATOM 0 HG SER A 2 6.219 18.650 -8.614 1.00 0.00 H new ATOM 30 N ASP A 3 5.724 15.814 -10.631 1.00 0.00 N ATOM 31 CA ASP A 3 4.754 14.940 -9.935 1.00 0.00 C ATOM 32 C ASP A 3 4.593 13.623 -10.683 1.00 0.00 C ATOM 33 O ASP A 3 3.492 13.223 -11.011 1.00 0.00 O ATOM 34 CB ASP A 3 3.396 15.659 -9.894 1.00 0.00 C ATOM 35 CG ASP A 3 3.454 16.786 -8.860 1.00 0.00 C ATOM 36 OD1 ASP A 3 3.792 16.468 -7.732 1.00 0.00 O ATOM 37 OD2 ASP A 3 3.157 17.901 -9.257 1.00 0.00 O ATOM 0 H ASP A 3 5.824 15.646 -11.632 1.00 0.00 H new ATOM 0 HA ASP A 3 5.114 14.731 -8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.155 16.063 -10.877 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.605 14.954 -9.637 1.00 0.00 H new ATOM 42 N VAL A 4 5.703 12.975 -10.938 1.00 0.00 N ATOM 43 CA VAL A 4 5.655 11.678 -11.667 1.00 0.00 C ATOM 44 C VAL A 4 5.901 10.486 -10.688 1.00 0.00 C ATOM 45 O VAL A 4 6.782 10.564 -9.855 1.00 0.00 O ATOM 46 CB VAL A 4 6.799 11.700 -12.705 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.613 10.553 -13.695 1.00 0.00 C ATOM 48 CG2 VAL A 4 6.765 13.029 -13.469 1.00 0.00 C ATOM 0 H VAL A 4 6.636 13.290 -10.672 1.00 0.00 H new ATOM 0 HA VAL A 4 4.678 11.550 -12.134 1.00 0.00 H new ATOM 0 HB VAL A 4 7.755 11.591 -12.192 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.421 10.569 -14.427 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.628 9.604 -13.159 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.657 10.666 -14.207 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.571 13.048 -14.202 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.807 13.131 -13.980 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.892 13.855 -12.769 1.00 0.00 H new ATOM 58 N PRO A 5 5.108 9.393 -10.790 1.00 0.00 N ATOM 59 CA PRO A 5 5.297 8.242 -9.897 1.00 0.00 C ATOM 60 C PRO A 5 6.719 7.681 -10.009 1.00 0.00 C ATOM 61 O PRO A 5 7.391 7.895 -10.999 1.00 0.00 O ATOM 62 CB PRO A 5 4.286 7.182 -10.389 1.00 0.00 C ATOM 63 CG PRO A 5 3.464 7.820 -11.549 1.00 0.00 C ATOM 64 CD PRO A 5 3.997 9.246 -11.759 1.00 0.00 C ATOM 0 HA PRO A 5 5.146 8.522 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.806 6.288 -10.734 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.627 6.874 -9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.568 7.233 -12.461 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.403 7.839 -11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.345 9.389 -12.782 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.218 9.988 -11.581 1.00 0.00 H new ATOM 72 N ARG A 6 7.155 6.974 -8.991 1.00 0.00 N ATOM 73 CA ARG A 6 8.537 6.402 -9.047 1.00 0.00 C ATOM 74 C ARG A 6 8.851 5.519 -7.835 1.00 0.00 C ATOM 75 O ARG A 6 8.010 5.279 -6.992 1.00 0.00 O ATOM 76 CB ARG A 6 9.532 7.571 -9.049 1.00 0.00 C ATOM 77 CG ARG A 6 9.121 8.569 -7.965 1.00 0.00 C ATOM 78 CD ARG A 6 10.198 9.646 -7.829 1.00 0.00 C ATOM 79 NE ARG A 6 10.789 9.563 -6.460 1.00 0.00 N ATOM 80 CZ ARG A 6 11.183 10.655 -5.856 1.00 0.00 C ATOM 81 NH1 ARG A 6 10.467 11.738 -5.977 1.00 0.00 N ATOM 82 NH2 ARG A 6 12.279 10.622 -5.146 1.00 0.00 N ATOM 0 H ARG A 6 6.626 6.772 -8.142 1.00 0.00 H new ATOM 0 HA ARG A 6 8.613 5.787 -9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.543 7.207 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.542 8.056 -10.025 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.165 9.026 -8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.985 8.054 -7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.972 9.504 -8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.768 10.634 -7.995 1.00 0.00 H new ATOM 0 HE ARG A 6 10.885 8.659 -5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.614 11.726 -6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.760 12.598 -5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.811 9.755 -5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.602 11.463 -4.668 1.00 0.00 H new ATOM 96 N ASP A 7 10.078 5.057 -7.790 1.00 0.00 N ATOM 97 CA ASP A 7 10.525 4.185 -6.666 1.00 0.00 C ATOM 98 C ASP A 7 9.518 3.085 -6.334 1.00 0.00 C ATOM 99 O ASP A 7 8.976 3.046 -5.247 1.00 0.00 O ATOM 100 CB ASP A 7 10.727 5.069 -5.426 1.00 0.00 C ATOM 101 CG ASP A 7 12.075 5.789 -5.540 1.00 0.00 C ATOM 102 OD1 ASP A 7 12.340 6.273 -6.629 1.00 0.00 O ATOM 103 OD2 ASP A 7 12.764 5.813 -4.533 1.00 0.00 O ATOM 0 H ASP A 7 10.792 5.251 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 7 11.449 3.693 -6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.918 5.795 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.700 4.461 -4.522 1.00 0.00 H new ATOM 108 N LEU A 8 9.290 2.210 -7.283 1.00 0.00 N ATOM 109 CA LEU A 8 8.324 1.099 -7.046 1.00 0.00 C ATOM 110 C LEU A 8 9.075 -0.191 -6.726 1.00 0.00 C ATOM 111 O LEU A 8 9.865 -0.660 -7.521 1.00 0.00 O ATOM 112 CB LEU A 8 7.502 0.883 -8.324 1.00 0.00 C ATOM 113 CG LEU A 8 6.632 2.113 -8.576 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.782 2.544 -10.036 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.170 1.756 -8.302 1.00 0.00 C ATOM 0 H LEU A 8 9.729 2.219 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 8 7.677 1.357 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.165 0.712 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.877 -0.005 -8.223 1.00 0.00 H new ATOM 0 HG LEU A 8 6.942 2.926 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.163 3.422 -10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.825 2.786 -10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.465 1.731 -10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.543 2.629 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.863 0.947 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.062 1.436 -7.266 1.00 0.00 H new ATOM 127 N GLU A 9 8.820 -0.745 -5.572 1.00 0.00 N ATOM 128 CA GLU A 9 9.523 -2.004 -5.203 1.00 0.00 C ATOM 129 C GLU A 9 8.758 -2.776 -4.132 1.00 0.00 C ATOM 130 O GLU A 9 7.741 -2.322 -3.642 1.00 0.00 O ATOM 131 CB GLU A 9 10.901 -1.630 -4.632 1.00 0.00 C ATOM 132 CG GLU A 9 11.999 -2.255 -5.492 1.00 0.00 C ATOM 133 CD GLU A 9 13.357 -2.028 -4.817 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.452 -2.394 -3.656 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.218 -1.498 -5.498 1.00 0.00 O ATOM 0 H GLU A 9 8.165 -0.386 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 9 9.606 -2.631 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.015 -0.546 -4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.987 -1.980 -3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.816 -3.322 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.995 -1.811 -6.487 1.00 0.00 H new ATOM 142 N VAL A 10 9.268 -3.937 -3.797 1.00 0.00 N ATOM 143 CA VAL A 10 8.606 -4.774 -2.758 1.00 0.00 C ATOM 144 C VAL A 10 9.453 -4.793 -1.487 1.00 0.00 C ATOM 145 O VAL A 10 10.616 -5.150 -1.522 1.00 0.00 O ATOM 146 CB VAL A 10 8.486 -6.213 -3.295 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.130 -7.152 -2.141 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.374 -6.270 -4.346 1.00 0.00 C ATOM 0 H VAL A 10 10.115 -4.338 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 10 7.622 -4.363 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 10 9.432 -6.517 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.044 -8.172 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.911 -7.109 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.181 -6.845 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.286 -7.287 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.429 -5.970 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.614 -5.594 -5.166 1.00 0.00 H new ATOM 158 N VAL A 11 8.862 -4.412 -0.386 1.00 0.00 N ATOM 159 CA VAL A 11 9.632 -4.405 0.889 1.00 0.00 C ATOM 160 C VAL A 11 9.943 -5.819 1.350 1.00 0.00 C ATOM 161 O VAL A 11 11.069 -6.266 1.282 1.00 0.00 O ATOM 162 CB VAL A 11 8.789 -3.700 1.967 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.672 -3.398 3.178 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.254 -2.387 1.404 1.00 0.00 C ATOM 0 H VAL A 11 7.891 -4.109 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 11 10.574 -3.882 0.727 1.00 0.00 H new ATOM 0 HB VAL A 11 7.960 -4.343 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.080 -2.899 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.072 -4.330 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.495 -2.750 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.656 -1.883 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.089 -1.748 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.635 -2.591 0.530 1.00 0.00 H new ATOM 174 N ALA A 12 8.942 -6.492 1.812 1.00 0.00 N ATOM 175 CA ALA A 12 9.153 -7.882 2.288 1.00 0.00 C ATOM 176 C ALA A 12 7.922 -8.738 2.019 1.00 0.00 C ATOM 177 O ALA A 12 6.903 -8.242 1.573 1.00 0.00 O ATOM 178 CB ALA A 12 9.406 -7.847 3.804 1.00 0.00 C ATOM 0 H ALA A 12 7.985 -6.145 1.883 1.00 0.00 H new ATOM 0 HA ALA A 12 10.003 -8.312 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.563 -8.862 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.291 -7.245 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.544 -7.409 4.307 1.00 0.00 H new ATOM 184 N ALA A 13 8.044 -10.014 2.295 1.00 0.00 N ATOM 185 CA ALA A 13 6.899 -10.934 2.067 1.00 0.00 C ATOM 186 C ALA A 13 6.659 -11.815 3.287 1.00 0.00 C ATOM 187 O ALA A 13 7.469 -11.870 4.190 1.00 0.00 O ATOM 188 CB ALA A 13 7.232 -11.839 0.868 1.00 0.00 C ATOM 0 H ALA A 13 8.887 -10.452 2.667 1.00 0.00 H new ATOM 0 HA ALA A 13 6.003 -10.343 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.402 -12.522 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.397 -11.224 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.133 -12.413 1.085 1.00 0.00 H new ATOM 194 N THR A 14 5.544 -12.486 3.286 1.00 0.00 N ATOM 195 CA THR A 14 5.214 -13.372 4.425 1.00 0.00 C ATOM 196 C THR A 14 4.394 -14.564 3.918 1.00 0.00 C ATOM 197 O THR A 14 3.822 -14.502 2.849 1.00 0.00 O ATOM 198 CB THR A 14 4.372 -12.565 5.427 1.00 0.00 C ATOM 199 OG1 THR A 14 3.946 -11.421 4.714 1.00 0.00 O ATOM 200 CG2 THR A 14 5.248 -12.006 6.558 1.00 0.00 C ATOM 0 H THR A 14 4.847 -12.457 2.542 1.00 0.00 H new ATOM 0 HA THR A 14 6.124 -13.738 4.900 1.00 0.00 H new ATOM 0 HB THR A 14 3.580 -13.194 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.397 -10.857 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.628 -11.440 7.253 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.727 -12.829 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.012 -11.352 6.137 1.00 0.00 H new ATOM 208 N PRO A 15 4.344 -15.638 4.690 1.00 0.00 N ATOM 209 CA PRO A 15 3.588 -16.812 4.280 1.00 0.00 C ATOM 210 C PRO A 15 2.169 -16.433 3.860 1.00 0.00 C ATOM 211 O PRO A 15 1.305 -16.235 4.687 1.00 0.00 O ATOM 212 CB PRO A 15 3.560 -17.724 5.525 1.00 0.00 C ATOM 213 CG PRO A 15 4.464 -17.055 6.608 1.00 0.00 C ATOM 214 CD PRO A 15 4.995 -15.740 6.008 1.00 0.00 C ATOM 0 HA PRO A 15 4.041 -17.303 3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.541 -17.841 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.927 -18.721 5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.895 -16.861 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.288 -17.714 6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.745 -14.888 6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.081 -15.759 5.913 1.00 0.00 H new ATOM 222 N THR A 16 1.971 -16.335 2.570 1.00 0.00 N ATOM 223 CA THR A 16 0.629 -15.971 2.045 1.00 0.00 C ATOM 224 C THR A 16 0.341 -14.483 2.241 1.00 0.00 C ATOM 225 O THR A 16 -0.756 -14.105 2.598 1.00 0.00 O ATOM 226 CB THR A 16 -0.436 -16.784 2.792 1.00 0.00 C ATOM 227 OG1 THR A 16 0.194 -18.002 3.134 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.572 -17.191 1.844 1.00 0.00 C ATOM 0 H THR A 16 2.685 -16.493 1.859 1.00 0.00 H new ATOM 0 HA THR A 16 0.607 -16.190 0.977 1.00 0.00 H new ATOM 0 HB THR A 16 -0.824 -16.204 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.438 -18.572 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.316 -17.767 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.038 -16.297 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.170 -17.799 1.034 1.00 0.00 H new ATOM 236 N SER A 17 1.334 -13.662 2.007 1.00 0.00 N ATOM 237 CA SER A 17 1.123 -12.200 2.176 1.00 0.00 C ATOM 238 C SER A 17 2.288 -11.405 1.592 1.00 0.00 C ATOM 239 O SER A 17 3.429 -11.801 1.711 1.00 0.00 O ATOM 240 CB SER A 17 1.015 -11.898 3.677 1.00 0.00 C ATOM 241 OG SER A 17 1.729 -12.954 4.295 1.00 0.00 O ATOM 0 H SER A 17 2.269 -13.940 1.710 1.00 0.00 H new ATOM 0 HA SER A 17 0.213 -11.910 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.448 -10.928 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.024 -11.874 4.005 1.00 0.00 H new ATOM 0 HG SER A 17 1.456 -13.028 5.233 1.00 0.00 H new ATOM 247 N LEU A 18 1.968 -10.295 0.963 1.00 0.00 N ATOM 248 CA LEU A 18 3.037 -9.447 0.355 1.00 0.00 C ATOM 249 C LEU A 18 2.875 -7.985 0.776 1.00 0.00 C ATOM 250 O LEU A 18 1.781 -7.538 1.059 1.00 0.00 O ATOM 251 CB LEU A 18 2.910 -9.539 -1.179 1.00 0.00 C ATOM 252 CG LEU A 18 4.237 -9.125 -1.824 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.113 -10.364 -2.011 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.962 -8.497 -3.193 1.00 0.00 C ATOM 0 H LEU A 18 1.017 -9.945 0.847 1.00 0.00 H new ATOM 0 HA LEU A 18 4.011 -9.801 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.651 -10.556 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.105 -8.892 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 18 4.745 -8.404 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.059 -10.075 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.305 -10.823 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.600 -11.078 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.905 -8.202 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.458 -9.222 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.328 -7.619 -3.070 1.00 0.00 H new ATOM 266 N LEU A 19 3.979 -7.271 0.811 1.00 0.00 N ATOM 267 CA LEU A 19 3.930 -5.832 1.209 1.00 0.00 C ATOM 268 C LEU A 19 4.591 -4.965 0.135 1.00 0.00 C ATOM 269 O LEU A 19 5.795 -5.011 -0.043 1.00 0.00 O ATOM 270 CB LEU A 19 4.710 -5.682 2.537 1.00 0.00 C ATOM 271 CG LEU A 19 4.918 -4.196 2.865 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.586 -3.450 2.746 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.431 -4.072 4.302 1.00 0.00 C ATOM 0 H LEU A 19 4.907 -7.625 0.581 1.00 0.00 H new ATOM 0 HA LEU A 19 2.895 -5.512 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.163 -6.167 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.675 -6.183 2.459 1.00 0.00 H new ATOM 0 HG LEU A 19 5.639 -3.767 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.737 -2.396 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.205 -3.546 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.866 -3.877 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.582 -3.020 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.700 -4.501 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.376 -4.606 4.398 1.00 0.00 H new ATOM 285 N ILE A 20 3.788 -4.185 -0.564 1.00 0.00 N ATOM 286 CA ILE A 20 4.360 -3.310 -1.631 1.00 0.00 C ATOM 287 C ILE A 20 4.488 -1.869 -1.153 1.00 0.00 C ATOM 288 O ILE A 20 3.812 -1.453 -0.234 1.00 0.00 O ATOM 289 CB ILE A 20 3.428 -3.351 -2.855 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.041 -2.821 -2.495 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.287 -4.814 -3.310 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.726 -1.598 -3.372 1.00 0.00 C ATOM 0 H ILE A 20 2.778 -4.121 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 20 5.354 -3.676 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 20 3.851 -2.731 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.291 -3.597 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.005 -2.547 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.629 -4.863 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.268 -5.209 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.864 -5.408 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.737 -1.215 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.471 -0.822 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.746 -1.889 -4.422 1.00 0.00 H new ATOM 304 N SER A 21 5.356 -1.131 -1.790 1.00 0.00 N ATOM 305 CA SER A 21 5.545 0.282 -1.390 1.00 0.00 C ATOM 306 C SER A 21 6.000 1.118 -2.579 1.00 0.00 C ATOM 307 O SER A 21 6.839 0.689 -3.350 1.00 0.00 O ATOM 308 CB SER A 21 6.635 0.331 -0.308 1.00 0.00 C ATOM 309 OG SER A 21 7.481 -0.760 -0.626 1.00 0.00 O ATOM 0 H SER A 21 5.937 -1.448 -2.566 1.00 0.00 H new ATOM 0 HA SER A 21 4.602 0.682 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.177 1.276 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.211 0.230 0.691 1.00 0.00 H new ATOM 0 HG SER A 21 8.412 -0.456 -0.649 1.00 0.00 H new ATOM 315 N TRP A 22 5.435 2.299 -2.709 1.00 0.00 N ATOM 316 CA TRP A 22 5.827 3.177 -3.847 1.00 0.00 C ATOM 317 C TRP A 22 6.027 4.616 -3.382 1.00 0.00 C ATOM 318 O TRP A 22 6.414 4.843 -2.252 1.00 0.00 O ATOM 319 CB TRP A 22 4.742 3.101 -4.959 1.00 0.00 C ATOM 320 CG TRP A 22 3.474 3.887 -4.588 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.150 5.054 -5.122 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.520 3.456 -3.781 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.937 5.320 -4.605 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.468 4.356 -3.741 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.441 2.288 -3.037 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.355 4.095 -2.967 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.326 2.032 -2.264 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.284 2.934 -2.230 1.00 0.00 C ATOM 0 H TRP A 22 4.729 2.683 -2.081 1.00 0.00 H new ATOM 0 HA TRP A 22 6.777 2.828 -4.252 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.151 3.493 -5.890 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.481 2.058 -5.139 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.726 5.653 -5.812 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.410 6.163 -4.833 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.254 1.577 -3.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.461 4.802 -2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.270 1.122 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.588 2.730 -1.626 1.00 0.00 H new ATOM 339 N ASP A 23 5.771 5.563 -4.254 1.00 0.00 N ATOM 340 CA ASP A 23 5.954 6.998 -3.851 1.00 0.00 C ATOM 341 C ASP A 23 4.800 7.880 -4.314 1.00 0.00 C ATOM 342 O ASP A 23 4.387 7.823 -5.454 1.00 0.00 O ATOM 343 CB ASP A 23 7.251 7.503 -4.507 1.00 0.00 C ATOM 344 CG ASP A 23 7.469 8.973 -4.145 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.857 9.791 -4.811 1.00 0.00 O ATOM 346 OD2 ASP A 23 8.239 9.197 -3.225 1.00 0.00 O ATOM 0 H ASP A 23 5.449 5.411 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 23 5.993 7.051 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.098 6.905 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.191 7.389 -5.589 1.00 0.00 H new ATOM 351 N ALA A 24 4.312 8.700 -3.410 1.00 0.00 N ATOM 352 CA ALA A 24 3.187 9.603 -3.763 1.00 0.00 C ATOM 353 C ALA A 24 3.716 11.040 -4.051 1.00 0.00 C ATOM 354 O ALA A 24 4.544 11.535 -3.314 1.00 0.00 O ATOM 355 CB ALA A 24 2.245 9.671 -2.550 1.00 0.00 C ATOM 0 H ALA A 24 4.648 8.777 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 24 2.677 9.226 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.406 10.328 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.872 8.672 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.788 10.061 -1.689 1.00 0.00 H new ATOM 361 N PRO A 25 3.234 11.698 -5.124 1.00 0.00 N ATOM 362 CA PRO A 25 3.697 13.051 -5.438 1.00 0.00 C ATOM 363 C PRO A 25 3.383 14.027 -4.305 1.00 0.00 C ATOM 364 O PRO A 25 2.787 13.657 -3.312 1.00 0.00 O ATOM 365 CB PRO A 25 2.914 13.462 -6.703 1.00 0.00 C ATOM 366 CG PRO A 25 1.959 12.287 -7.064 1.00 0.00 C ATOM 367 CD PRO A 25 2.240 11.149 -6.070 1.00 0.00 C ATOM 0 HA PRO A 25 4.777 13.071 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.347 14.375 -6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.597 13.668 -7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.918 12.604 -7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.129 11.954 -8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.330 10.844 -5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.627 10.267 -6.580 1.00 0.00 H new ATOM 375 N ALA A 26 3.791 15.261 -4.483 1.00 0.00 N ATOM 376 CA ALA A 26 3.532 16.285 -3.435 1.00 0.00 C ATOM 377 C ALA A 26 2.370 17.187 -3.828 1.00 0.00 C ATOM 378 O ALA A 26 2.489 18.397 -3.819 1.00 0.00 O ATOM 379 CB ALA A 26 4.793 17.148 -3.281 1.00 0.00 C ATOM 0 H ALA A 26 4.290 15.597 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 26 3.281 15.781 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.624 17.906 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.632 16.517 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.019 17.634 -4.230 1.00 0.00 H new ATOM 385 N VAL A 27 1.266 16.577 -4.170 1.00 0.00 N ATOM 386 CA VAL A 27 0.072 17.370 -4.570 1.00 0.00 C ATOM 387 C VAL A 27 -1.175 16.807 -3.905 1.00 0.00 C ATOM 388 O VAL A 27 -1.139 15.747 -3.315 1.00 0.00 O ATOM 389 CB VAL A 27 -0.108 17.277 -6.104 1.00 0.00 C ATOM 390 CG1 VAL A 27 1.076 17.951 -6.799 1.00 0.00 C ATOM 391 CG2 VAL A 27 -0.166 15.806 -6.529 1.00 0.00 C ATOM 0 H VAL A 27 1.142 15.565 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 27 0.216 18.406 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.035 17.776 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.949 17.885 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.124 18.999 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.000 17.450 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.293 15.744 -7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.761 15.308 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.007 15.318 -6.037 1.00 0.00 H new ATOM 401 N THR A 28 -2.251 17.529 -4.000 1.00 0.00 N ATOM 402 CA THR A 28 -3.503 17.042 -3.377 1.00 0.00 C ATOM 403 C THR A 28 -4.029 15.830 -4.131 1.00 0.00 C ATOM 404 O THR A 28 -4.977 15.923 -4.886 1.00 0.00 O ATOM 405 CB THR A 28 -4.542 18.157 -3.449 1.00 0.00 C ATOM 406 OG1 THR A 28 -3.836 19.345 -3.158 1.00 0.00 O ATOM 407 CG2 THR A 28 -5.564 18.025 -2.312 1.00 0.00 C ATOM 0 H THR A 28 -2.317 18.428 -4.478 1.00 0.00 H new ATOM 0 HA THR A 28 -3.308 16.760 -2.342 1.00 0.00 H new ATOM 0 HB THR A 28 -5.043 18.133 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.451 20.107 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.295 18.831 -2.384 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.074 17.065 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.051 18.086 -1.352 1.00 0.00 H new ATOM 415 N VAL A 29 -3.404 14.715 -3.915 1.00 0.00 N ATOM 416 CA VAL A 29 -3.848 13.489 -4.609 1.00 0.00 C ATOM 417 C VAL A 29 -5.242 13.070 -4.171 1.00 0.00 C ATOM 418 O VAL A 29 -5.528 12.981 -2.994 1.00 0.00 O ATOM 419 CB VAL A 29 -2.869 12.371 -4.265 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.350 11.069 -4.900 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.494 12.731 -4.822 1.00 0.00 C ATOM 0 H VAL A 29 -2.607 14.601 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.876 13.684 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.809 12.247 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.653 10.267 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.339 10.820 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.402 11.189 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.785 11.938 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.558 12.845 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.155 13.667 -4.378 1.00 0.00 H new ATOM 431 N ARG A 30 -6.089 12.820 -5.134 1.00 0.00 N ATOM 432 CA ARG A 30 -7.467 12.404 -4.799 1.00 0.00 C ATOM 433 C ARG A 30 -7.484 10.953 -4.359 1.00 0.00 C ATOM 434 O ARG A 30 -7.860 10.649 -3.245 1.00 0.00 O ATOM 435 CB ARG A 30 -8.345 12.554 -6.050 1.00 0.00 C ATOM 436 CG ARG A 30 -8.721 14.029 -6.226 1.00 0.00 C ATOM 437 CD ARG A 30 -9.997 14.343 -5.422 1.00 0.00 C ATOM 438 NE ARG A 30 -11.106 13.469 -5.896 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.026 13.970 -6.675 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.845 13.933 -7.966 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.097 14.489 -6.136 1.00 0.00 N ATOM 0 H ARG A 30 -5.881 12.887 -6.130 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.844 13.028 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.811 12.195 -6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.244 11.946 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.902 14.665 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.882 14.249 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.820 14.181 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.268 15.392 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.146 12.489 -5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.996 13.518 -8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.552 14.319 -8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.204 14.498 -5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.826 14.885 -6.730 1.00 0.00 H new ATOM 455 N TYR A 31 -7.077 10.074 -5.239 1.00 0.00 N ATOM 456 CA TYR A 31 -7.076 8.636 -4.852 1.00 0.00 C ATOM 457 C TYR A 31 -6.061 7.822 -5.630 1.00 0.00 C ATOM 458 O TYR A 31 -5.476 8.273 -6.595 1.00 0.00 O ATOM 459 CB TYR A 31 -8.457 8.034 -5.147 1.00 0.00 C ATOM 460 CG TYR A 31 -9.530 8.784 -4.371 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.635 8.636 -3.004 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.412 9.614 -5.024 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.606 9.311 -2.301 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.388 10.291 -4.322 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.493 10.145 -2.954 1.00 0.00 C ATOM 466 OH TYR A 31 -12.462 10.829 -2.249 1.00 0.00 O ATOM 0 H TYR A 31 -6.754 10.283 -6.184 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.823 8.596 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.665 8.088 -6.216 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.469 6.979 -4.873 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.950 7.985 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.340 9.737 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.675 9.188 -1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.074 10.939 -4.847 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.997 11.369 -2.868 1.00 0.00 H new ATOM 476 N TYR A 32 -5.889 6.622 -5.168 1.00 0.00 N ATOM 477 CA TYR A 32 -4.939 5.684 -5.805 1.00 0.00 C ATOM 478 C TYR A 32 -5.601 4.322 -5.920 1.00 0.00 C ATOM 479 O TYR A 32 -6.194 3.850 -4.969 1.00 0.00 O ATOM 480 CB TYR A 32 -3.703 5.548 -4.902 1.00 0.00 C ATOM 481 CG TYR A 32 -2.475 6.172 -5.580 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.429 7.523 -5.857 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.382 5.386 -5.908 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.309 8.081 -6.447 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.266 5.946 -6.498 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.223 7.296 -6.772 1.00 0.00 C ATOM 487 OH TYR A 32 0.894 7.855 -7.356 1.00 0.00 O ATOM 0 H TYR A 32 -6.379 6.245 -4.357 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.653 6.051 -6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.887 6.038 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.514 4.496 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.274 8.150 -5.611 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.403 4.326 -5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.285 9.141 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.579 5.321 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 32 1.563 7.157 -7.516 1.00 0.00 H new ATOM 497 N ARG A 33 -5.495 3.712 -7.074 1.00 0.00 N ATOM 498 CA ARG A 33 -6.123 2.372 -7.252 1.00 0.00 C ATOM 499 C ARG A 33 -5.082 1.371 -7.681 1.00 0.00 C ATOM 500 O ARG A 33 -4.468 1.508 -8.721 1.00 0.00 O ATOM 501 CB ARG A 33 -7.246 2.482 -8.313 1.00 0.00 C ATOM 502 CG ARG A 33 -7.338 1.185 -9.130 1.00 0.00 C ATOM 503 CD ARG A 33 -8.652 1.187 -9.910 1.00 0.00 C ATOM 504 NE ARG A 33 -8.501 0.320 -11.112 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.090 0.663 -12.226 1.00 0.00 C ATOM 506 NH1 ARG A 33 -8.480 1.487 -13.033 1.00 0.00 N ATOM 507 NH2 ARG A 33 -10.269 0.171 -12.493 1.00 0.00 N ATOM 0 H ARG A 33 -5.006 4.080 -7.890 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.552 2.033 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.200 2.680 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.048 3.324 -8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.493 1.109 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.292 0.319 -8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.464 0.822 -9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.912 2.203 -10.208 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.943 -0.533 -11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.559 1.852 -12.789 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.924 1.767 -13.908 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.715 -0.470 -11.836 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.745 0.427 -13.358 1.00 0.00 H new ATOM 521 N ILE A 34 -4.905 0.375 -6.862 1.00 0.00 N ATOM 522 CA ILE A 34 -3.903 -0.669 -7.180 1.00 0.00 C ATOM 523 C ILE A 34 -4.550 -1.922 -7.745 1.00 0.00 C ATOM 524 O ILE A 34 -5.412 -2.515 -7.124 1.00 0.00 O ATOM 525 CB ILE A 34 -3.180 -1.031 -5.886 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.170 0.055 -5.553 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.427 -2.358 -6.093 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.070 0.210 -4.033 1.00 0.00 C ATOM 0 H ILE A 34 -5.412 0.241 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.218 -0.279 -7.933 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.902 -1.126 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.195 -0.200 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.472 0.999 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.906 -2.628 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.138 -3.143 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.704 -2.244 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.346 0.989 -3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.045 0.485 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.748 -0.733 -3.591 1.00 0.00 H new ATOM 540 N THR A 35 -4.114 -2.297 -8.920 1.00 0.00 N ATOM 541 CA THR A 35 -4.670 -3.510 -9.575 1.00 0.00 C ATOM 542 C THR A 35 -3.541 -4.465 -9.917 1.00 0.00 C ATOM 543 O THR A 35 -2.508 -4.044 -10.400 1.00 0.00 O ATOM 544 CB THR A 35 -5.368 -3.092 -10.875 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.341 -3.021 -11.842 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.904 -1.657 -10.778 1.00 0.00 C ATOM 0 H THR A 35 -3.393 -1.810 -9.453 1.00 0.00 H new ATOM 0 HA THR A 35 -5.375 -3.999 -8.902 1.00 0.00 H new ATOM 0 HB THR A 35 -6.179 -3.786 -11.095 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.722 -2.758 -12.705 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.394 -1.388 -11.714 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.622 -1.591 -9.961 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.077 -0.972 -10.591 1.00 0.00 H new ATOM 554 N TYR A 36 -3.743 -5.733 -9.656 1.00 0.00 N ATOM 555 CA TYR A 36 -2.672 -6.711 -9.967 1.00 0.00 C ATOM 556 C TYR A 36 -3.257 -7.985 -10.544 1.00 0.00 C ATOM 557 O TYR A 36 -4.443 -8.245 -10.413 1.00 0.00 O ATOM 558 CB TYR A 36 -1.916 -7.043 -8.667 1.00 0.00 C ATOM 559 CG TYR A 36 -2.905 -7.512 -7.597 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.773 -6.619 -6.998 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.939 -8.835 -7.210 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.660 -7.045 -6.031 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.825 -9.260 -6.243 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.693 -8.369 -5.646 1.00 0.00 C ATOM 565 OH TYR A 36 -5.577 -8.794 -4.676 1.00 0.00 O ATOM 0 H TYR A 36 -4.592 -6.123 -9.247 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.996 -6.277 -10.704 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.174 -7.819 -8.855 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.375 -6.164 -8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.757 -5.579 -7.289 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.266 -9.544 -7.668 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.334 -6.336 -5.572 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.840 -10.299 -5.950 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.464 -9.756 -4.530 1.00 0.00 H new ATOM 575 N GLY A 37 -2.416 -8.750 -11.190 1.00 0.00 N ATOM 576 CA GLY A 37 -2.896 -10.023 -11.793 1.00 0.00 C ATOM 577 C GLY A 37 -1.727 -10.802 -12.397 1.00 0.00 C ATOM 578 O GLY A 37 -0.738 -10.225 -12.806 1.00 0.00 O ATOM 0 H GLY A 37 -1.425 -8.548 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.391 -10.628 -11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.637 -9.811 -12.564 1.00 0.00 H new ATOM 582 N GLU A 38 -1.865 -12.099 -12.444 1.00 0.00 N ATOM 583 CA GLU A 38 -0.779 -12.925 -13.013 1.00 0.00 C ATOM 584 C GLU A 38 -0.791 -12.850 -14.535 1.00 0.00 C ATOM 585 O GLU A 38 -1.838 -12.765 -15.146 1.00 0.00 O ATOM 586 CB GLU A 38 -1.008 -14.384 -12.587 1.00 0.00 C ATOM 587 CG GLU A 38 -2.463 -14.564 -12.144 1.00 0.00 C ATOM 588 CD GLU A 38 -2.781 -16.058 -12.037 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.673 -16.708 -13.063 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.116 -16.462 -10.936 1.00 0.00 O ATOM 0 H GLU A 38 -2.681 -12.614 -12.113 1.00 0.00 H new ATOM 0 HA GLU A 38 0.181 -12.558 -12.650 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.783 -15.056 -13.416 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.333 -14.646 -11.772 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.625 -14.077 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.134 -14.088 -12.859 1.00 0.00 H new ATOM 597 N THR A 39 0.372 -12.884 -15.121 1.00 0.00 N ATOM 598 CA THR A 39 0.441 -12.814 -16.600 1.00 0.00 C ATOM 599 C THR A 39 -0.098 -14.094 -17.228 1.00 0.00 C ATOM 600 O THR A 39 0.131 -15.178 -16.730 1.00 0.00 O ATOM 601 CB THR A 39 1.905 -12.644 -17.010 1.00 0.00 C ATOM 602 OG1 THR A 39 2.371 -11.528 -16.276 1.00 0.00 O ATOM 603 CG2 THR A 39 2.009 -12.213 -18.480 1.00 0.00 C ATOM 0 H THR A 39 1.269 -12.957 -14.642 1.00 0.00 H new ATOM 0 HA THR A 39 -0.162 -11.974 -16.944 1.00 0.00 H new ATOM 0 HB THR A 39 2.448 -13.574 -16.844 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.312 -11.364 -16.493 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.058 -12.098 -18.752 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.551 -12.971 -19.115 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.492 -11.264 -18.618 1.00 0.00 H new ATOM 611 N GLY A 40 -0.806 -13.944 -18.313 1.00 0.00 N ATOM 612 CA GLY A 40 -1.370 -15.145 -18.989 1.00 0.00 C ATOM 613 C GLY A 40 -2.296 -14.730 -20.133 1.00 0.00 C ATOM 614 O GLY A 40 -2.306 -15.344 -21.182 1.00 0.00 O ATOM 0 H GLY A 40 -1.017 -13.050 -18.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.561 -15.766 -19.375 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.921 -15.750 -18.269 1.00 0.00 H new ATOM 618 N GLY A 41 -3.056 -13.692 -19.909 1.00 0.00 N ATOM 619 CA GLY A 41 -3.986 -13.225 -20.976 1.00 0.00 C ATOM 620 C GLY A 41 -4.857 -12.080 -20.463 1.00 0.00 C ATOM 621 O GLY A 41 -4.382 -10.979 -20.262 1.00 0.00 O ATOM 0 H GLY A 41 -3.074 -13.153 -19.043 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.416 -12.895 -21.845 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.617 -14.051 -21.304 1.00 0.00 H new ATOM 625 N ASN A 42 -6.116 -12.373 -20.264 1.00 0.00 N ATOM 626 CA ASN A 42 -7.056 -11.333 -19.764 1.00 0.00 C ATOM 627 C ASN A 42 -7.779 -11.825 -18.520 1.00 0.00 C ATOM 628 O ASN A 42 -8.972 -12.049 -18.540 1.00 0.00 O ATOM 629 CB ASN A 42 -8.094 -11.056 -20.863 1.00 0.00 C ATOM 630 CG ASN A 42 -8.845 -9.765 -20.537 1.00 0.00 C ATOM 631 OD1 ASN A 42 -10.019 -9.778 -20.228 1.00 0.00 O ATOM 632 ND2 ASN A 42 -8.204 -8.629 -20.595 1.00 0.00 N ATOM 0 H ASN A 42 -6.532 -13.290 -20.427 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.499 -10.430 -19.514 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.601 -10.968 -21.831 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.794 -11.888 -20.936 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.690 -7.758 -20.381 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.218 -8.613 -20.854 1.00 0.00 H new ATOM 639 N SER A 43 -7.038 -11.989 -17.456 1.00 0.00 N ATOM 640 CA SER A 43 -7.659 -12.466 -16.196 1.00 0.00 C ATOM 641 C SER A 43 -7.021 -11.795 -14.976 1.00 0.00 C ATOM 642 O SER A 43 -6.311 -12.425 -14.219 1.00 0.00 O ATOM 643 CB SER A 43 -7.417 -13.980 -16.093 1.00 0.00 C ATOM 644 OG SER A 43 -7.947 -14.331 -14.823 1.00 0.00 O ATOM 0 H SER A 43 -6.034 -11.813 -17.409 1.00 0.00 H new ATOM 0 HA SER A 43 -8.722 -12.224 -16.211 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.918 -14.519 -16.897 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.356 -14.219 -16.162 1.00 0.00 H new ATOM 0 HG SER A 43 -7.344 -14.015 -14.118 1.00 0.00 H new ATOM 650 N PRO A 44 -7.288 -10.513 -14.810 1.00 0.00 N ATOM 651 CA PRO A 44 -6.741 -9.762 -13.685 1.00 0.00 C ATOM 652 C PRO A 44 -7.271 -10.291 -12.362 1.00 0.00 C ATOM 653 O PRO A 44 -8.457 -10.509 -12.209 1.00 0.00 O ATOM 654 CB PRO A 44 -7.231 -8.313 -13.896 1.00 0.00 C ATOM 655 CG PRO A 44 -8.052 -8.290 -15.223 1.00 0.00 C ATOM 656 CD PRO A 44 -8.136 -9.739 -15.731 1.00 0.00 C ATOM 0 HA PRO A 44 -5.655 -9.841 -13.646 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.847 -7.990 -13.057 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.387 -7.626 -13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.049 -7.884 -15.052 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.570 -7.650 -15.962 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.164 -10.102 -15.721 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.779 -9.819 -16.758 1.00 0.00 H new ATOM 664 N VAL A 45 -6.387 -10.497 -11.424 1.00 0.00 N ATOM 665 CA VAL A 45 -6.840 -11.011 -10.114 1.00 0.00 C ATOM 666 C VAL A 45 -7.901 -10.109 -9.537 1.00 0.00 C ATOM 667 O VAL A 45 -9.053 -10.479 -9.440 1.00 0.00 O ATOM 668 CB VAL A 45 -5.645 -11.043 -9.150 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.159 -11.124 -7.710 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.789 -12.271 -9.451 1.00 0.00 C ATOM 0 H VAL A 45 -5.384 -10.332 -11.512 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.252 -12.011 -10.248 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.048 -10.140 -9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.313 -11.147 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.778 -10.253 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.752 -12.030 -7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.939 -12.298 -8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.388 -13.173 -9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.428 -12.220 -10.478 1.00 0.00 H new ATOM 680 N GLN A 46 -7.497 -8.938 -9.168 1.00 0.00 N ATOM 681 CA GLN A 46 -8.475 -7.981 -8.587 1.00 0.00 C ATOM 682 C GLN A 46 -7.851 -6.603 -8.409 1.00 0.00 C ATOM 683 O GLN A 46 -6.864 -6.276 -9.038 1.00 0.00 O ATOM 684 CB GLN A 46 -8.915 -8.507 -7.205 1.00 0.00 C ATOM 685 CG GLN A 46 -10.395 -8.177 -6.983 1.00 0.00 C ATOM 686 CD GLN A 46 -11.264 -9.258 -7.632 1.00 0.00 C ATOM 687 OE1 GLN A 46 -11.261 -9.434 -8.834 1.00 0.00 O ATOM 688 NE2 GLN A 46 -12.024 -10.001 -6.873 1.00 0.00 N ATOM 0 H GLN A 46 -6.538 -8.597 -9.240 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.326 -7.894 -9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.758 -9.584 -7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.308 -8.054 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.609 -8.116 -5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.629 -7.202 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.031 -9.858 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.610 -10.724 -7.290 1.00 0.00 H new ATOM 697 N GLU A 47 -8.439 -5.821 -7.551 1.00 0.00 N ATOM 698 CA GLU A 47 -7.904 -4.461 -7.311 1.00 0.00 C ATOM 699 C GLU A 47 -8.579 -3.833 -6.094 1.00 0.00 C ATOM 700 O GLU A 47 -9.523 -4.381 -5.559 1.00 0.00 O ATOM 701 CB GLU A 47 -8.215 -3.595 -8.546 1.00 0.00 C ATOM 702 CG GLU A 47 -9.715 -3.676 -8.857 1.00 0.00 C ATOM 703 CD GLU A 47 -10.282 -2.263 -9.000 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.729 -1.537 -9.809 1.00 0.00 O ATOM 705 OE2 GLU A 47 -11.238 -1.989 -8.294 1.00 0.00 O ATOM 0 H GLU A 47 -9.266 -6.067 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.830 -4.520 -7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.926 -2.561 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.635 -3.940 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.877 -4.239 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.234 -4.209 -8.061 1.00 0.00 H new ATOM 712 N PHE A 48 -8.091 -2.700 -5.676 1.00 0.00 N ATOM 713 CA PHE A 48 -8.710 -2.042 -4.496 1.00 0.00 C ATOM 714 C PHE A 48 -8.326 -0.573 -4.431 1.00 0.00 C ATOM 715 O PHE A 48 -7.189 -0.213 -4.667 1.00 0.00 O ATOM 716 CB PHE A 48 -8.225 -2.745 -3.218 1.00 0.00 C ATOM 717 CG PHE A 48 -6.700 -2.742 -3.173 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.020 -1.694 -2.578 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.979 -3.794 -3.707 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.643 -1.701 -2.518 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.601 -3.797 -3.645 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.935 -2.752 -3.051 1.00 0.00 C ATOM 0 H PHE A 48 -7.302 -2.207 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.794 -2.115 -4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.625 -2.239 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.597 -3.769 -3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.571 -0.866 -2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.497 -4.618 -4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.119 -0.880 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.044 -4.622 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.856 -2.756 -3.003 1.00 0.00 H new ATOM 732 N THR A 49 -9.285 0.255 -4.110 1.00 0.00 N ATOM 733 CA THR A 49 -8.995 1.705 -4.024 1.00 0.00 C ATOM 734 C THR A 49 -8.478 2.080 -2.645 1.00 0.00 C ATOM 735 O THR A 49 -8.792 1.438 -1.662 1.00 0.00 O ATOM 736 CB THR A 49 -10.288 2.476 -4.295 1.00 0.00 C ATOM 737 OG1 THR A 49 -11.236 1.944 -3.393 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.847 2.141 -5.685 1.00 0.00 C ATOM 0 H THR A 49 -10.248 -0.013 -3.906 1.00 0.00 H new ATOM 0 HA THR A 49 -8.229 1.954 -4.758 1.00 0.00 H new ATOM 0 HB THR A 49 -10.103 3.547 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 49 -12.095 2.400 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.766 2.702 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.114 2.409 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.058 1.073 -5.745 1.00 0.00 H new ATOM 746 N VAL A 50 -7.695 3.118 -2.600 1.00 0.00 N ATOM 747 CA VAL A 50 -7.138 3.564 -1.304 1.00 0.00 C ATOM 748 C VAL A 50 -6.566 4.998 -1.454 1.00 0.00 C ATOM 749 O VAL A 50 -5.910 5.283 -2.436 1.00 0.00 O ATOM 750 CB VAL A 50 -5.985 2.600 -0.947 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.858 2.772 -1.964 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.447 2.913 0.449 1.00 0.00 C ATOM 0 H VAL A 50 -7.418 3.676 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.907 3.565 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.358 1.576 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.040 2.095 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.231 2.544 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.498 3.800 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.635 2.226 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.076 3.937 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.246 2.799 1.181 1.00 0.00 H new ATOM 762 N PRO A 51 -6.820 5.898 -0.487 1.00 0.00 N ATOM 763 CA PRO A 51 -6.301 7.257 -0.592 1.00 0.00 C ATOM 764 C PRO A 51 -4.803 7.262 -0.861 1.00 0.00 C ATOM 765 O PRO A 51 -4.052 6.531 -0.244 1.00 0.00 O ATOM 766 CB PRO A 51 -6.592 7.909 0.773 1.00 0.00 C ATOM 767 CG PRO A 51 -7.453 6.903 1.593 1.00 0.00 C ATOM 768 CD PRO A 51 -7.603 5.629 0.738 1.00 0.00 C ATOM 0 HA PRO A 51 -6.767 7.792 -1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.663 8.135 1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.123 8.852 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.974 6.673 2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.429 7.330 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.224 4.753 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.649 5.432 0.503 1.00 0.00 H new ATOM 776 N GLY A 52 -4.397 8.086 -1.785 1.00 0.00 N ATOM 777 CA GLY A 52 -2.953 8.161 -2.121 1.00 0.00 C ATOM 778 C GLY A 52 -2.138 8.647 -0.921 1.00 0.00 C ATOM 779 O GLY A 52 -0.943 8.837 -1.023 1.00 0.00 O ATOM 0 H GLY A 52 -5.003 8.709 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.597 7.180 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.806 8.837 -2.963 1.00 0.00 H new ATOM 783 N SER A 53 -2.794 8.842 0.193 1.00 0.00 N ATOM 784 CA SER A 53 -2.051 9.313 1.390 1.00 0.00 C ATOM 785 C SER A 53 -1.125 8.223 1.897 1.00 0.00 C ATOM 786 O SER A 53 -0.048 8.492 2.389 1.00 0.00 O ATOM 787 CB SER A 53 -3.058 9.658 2.497 1.00 0.00 C ATOM 788 OG SER A 53 -2.708 10.979 2.885 1.00 0.00 O ATOM 0 H SER A 53 -3.795 8.697 0.322 1.00 0.00 H new ATOM 0 HA SER A 53 -1.461 10.189 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.084 9.608 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.983 8.964 3.334 1.00 0.00 H new ATOM 0 HG SER A 53 -3.310 11.281 3.596 1.00 0.00 H new ATOM 794 N LYS A 54 -1.565 7.003 1.768 1.00 0.00 N ATOM 795 CA LYS A 54 -0.727 5.874 2.236 1.00 0.00 C ATOM 796 C LYS A 54 0.356 5.545 1.216 1.00 0.00 C ATOM 797 O LYS A 54 0.066 5.202 0.086 1.00 0.00 O ATOM 798 CB LYS A 54 -1.632 4.643 2.419 1.00 0.00 C ATOM 799 CG LYS A 54 -2.123 4.589 3.870 1.00 0.00 C ATOM 800 CD LYS A 54 -1.082 3.861 4.728 1.00 0.00 C ATOM 801 CE LYS A 54 -1.485 3.961 6.200 1.00 0.00 C ATOM 802 NZ LYS A 54 -0.813 2.898 6.999 1.00 0.00 N ATOM 0 H LYS A 54 -2.463 6.743 1.361 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.247 6.149 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.481 4.696 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.083 3.734 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.283 5.598 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.081 4.072 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.013 2.815 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.097 4.302 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.216 4.942 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.567 3.866 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.098 2.981 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.090 1.964 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.219 3.007 6.924 1.00 0.00 H new ATOM 816 N SER A 55 1.588 5.654 1.635 1.00 0.00 N ATOM 817 CA SER A 55 2.705 5.353 0.705 1.00 0.00 C ATOM 818 C SER A 55 2.994 3.857 0.655 1.00 0.00 C ATOM 819 O SER A 55 3.787 3.405 -0.148 1.00 0.00 O ATOM 820 CB SER A 55 3.959 6.080 1.213 1.00 0.00 C ATOM 821 OG SER A 55 4.003 7.275 0.447 1.00 0.00 O ATOM 0 H SER A 55 1.865 5.937 2.575 1.00 0.00 H new ATOM 0 HA SER A 55 2.430 5.684 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.891 6.293 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.856 5.478 1.064 1.00 0.00 H new ATOM 0 HG SER A 55 4.783 7.806 0.713 1.00 0.00 H new ATOM 827 N THR A 56 2.344 3.118 1.514 1.00 0.00 N ATOM 828 CA THR A 56 2.562 1.646 1.536 1.00 0.00 C ATOM 829 C THR A 56 1.237 0.910 1.690 1.00 0.00 C ATOM 830 O THR A 56 0.258 1.480 2.129 1.00 0.00 O ATOM 831 CB THR A 56 3.448 1.309 2.742 1.00 0.00 C ATOM 832 OG1 THR A 56 2.770 1.841 3.861 1.00 0.00 O ATOM 833 CG2 THR A 56 4.767 2.090 2.688 1.00 0.00 C ATOM 0 H THR A 56 1.674 3.470 2.198 1.00 0.00 H new ATOM 0 HA THR A 56 3.032 1.339 0.601 1.00 0.00 H new ATOM 0 HB THR A 56 3.640 0.236 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.286 1.658 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.377 1.834 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.305 1.833 1.776 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.557 3.160 2.696 1.00 0.00 H new ATOM 841 N ALA A 57 1.225 -0.346 1.329 1.00 0.00 N ATOM 842 CA ALA A 57 -0.034 -1.122 1.454 1.00 0.00 C ATOM 843 C ALA A 57 0.244 -2.619 1.542 1.00 0.00 C ATOM 844 O ALA A 57 1.131 -3.133 0.882 1.00 0.00 O ATOM 845 CB ALA A 57 -0.900 -0.850 0.213 1.00 0.00 C ATOM 0 H ALA A 57 2.024 -0.859 0.958 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.545 -0.814 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.830 -1.413 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.124 0.215 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.360 -1.159 -0.682 1.00 0.00 H new ATOM 851 N THR A 58 -0.525 -3.287 2.362 1.00 0.00 N ATOM 852 CA THR A 58 -0.343 -4.750 2.526 1.00 0.00 C ATOM 853 C THR A 58 -1.405 -5.508 1.745 1.00 0.00 C ATOM 854 O THR A 58 -2.536 -5.072 1.657 1.00 0.00 O ATOM 855 CB THR A 58 -0.494 -5.083 4.012 1.00 0.00 C ATOM 856 OG1 THR A 58 0.540 -4.372 4.658 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.176 -6.561 4.280 1.00 0.00 C ATOM 0 H THR A 58 -1.271 -2.877 2.924 1.00 0.00 H new ATOM 0 HA THR A 58 0.640 -5.039 2.155 1.00 0.00 H new ATOM 0 HB THR A 58 -1.506 -4.848 4.342 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.500 -4.541 5.623 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.291 -6.771 5.343 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.860 -7.190 3.710 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.849 -6.773 3.977 1.00 0.00 H new ATOM 865 N ILE A 59 -1.025 -6.630 1.190 1.00 0.00 N ATOM 866 CA ILE A 59 -2.003 -7.424 0.413 1.00 0.00 C ATOM 867 C ILE A 59 -1.811 -8.919 0.648 1.00 0.00 C ATOM 868 O ILE A 59 -0.713 -9.379 0.898 1.00 0.00 O ATOM 869 CB ILE A 59 -1.788 -7.118 -1.068 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.562 -8.115 -1.919 1.00 0.00 C ATOM 871 CG2 ILE A 59 -0.286 -7.249 -1.386 1.00 0.00 C ATOM 872 CD1 ILE A 59 -2.721 -7.555 -3.337 1.00 0.00 C ATOM 0 H ILE A 59 -0.085 -7.023 1.244 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.012 -7.159 0.729 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.137 -6.109 -1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.037 -9.070 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.541 -8.304 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.117 -7.033 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.278 -6.543 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.045 -8.264 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.275 -8.267 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.264 -6.611 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.737 -7.389 -3.775 1.00 0.00 H new ATOM 884 N SER A 60 -2.886 -9.649 0.566 1.00 0.00 N ATOM 885 CA SER A 60 -2.792 -11.112 0.782 1.00 0.00 C ATOM 886 C SER A 60 -3.843 -11.848 -0.041 1.00 0.00 C ATOM 887 O SER A 60 -5.020 -11.569 0.061 1.00 0.00 O ATOM 888 CB SER A 60 -3.043 -11.397 2.272 1.00 0.00 C ATOM 889 OG SER A 60 -2.696 -12.764 2.430 1.00 0.00 O ATOM 0 H SER A 60 -3.820 -9.296 0.360 1.00 0.00 H new ATOM 0 HA SER A 60 -1.804 -11.456 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.433 -10.756 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.084 -11.217 2.542 1.00 0.00 H new ATOM 0 HG SER A 60 -1.723 -12.864 2.367 1.00 0.00 H new ATOM 895 N GLY A 61 -3.397 -12.781 -0.840 1.00 0.00 N ATOM 896 CA GLY A 61 -4.364 -13.547 -1.679 1.00 0.00 C ATOM 897 C GLY A 61 -3.709 -13.979 -2.996 1.00 0.00 C ATOM 898 O GLY A 61 -4.385 -14.375 -3.925 1.00 0.00 O ATOM 0 H GLY A 61 -2.417 -13.044 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.711 -14.425 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.240 -12.933 -1.886 1.00 0.00 H new ATOM 902 N LEU A 62 -2.404 -13.894 -3.045 1.00 0.00 N ATOM 903 CA LEU A 62 -1.686 -14.294 -4.287 1.00 0.00 C ATOM 904 C LEU A 62 -1.160 -15.730 -4.171 1.00 0.00 C ATOM 905 O LEU A 62 -1.695 -16.521 -3.420 1.00 0.00 O ATOM 906 CB LEU A 62 -0.501 -13.323 -4.489 1.00 0.00 C ATOM 907 CG LEU A 62 0.372 -13.307 -3.232 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.841 -13.466 -3.637 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.190 -11.969 -2.517 1.00 0.00 C ATOM 0 H LEU A 62 -1.810 -13.567 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.369 -14.251 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.091 -13.631 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.872 -12.320 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 62 0.083 -14.123 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.468 -13.455 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.973 -14.412 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.129 -12.644 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.809 -11.949 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.488 -11.158 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.857 -11.844 -2.239 1.00 0.00 H new ATOM 921 N LYS A 63 -0.119 -16.036 -4.924 1.00 0.00 N ATOM 922 CA LYS A 63 0.456 -17.413 -4.874 1.00 0.00 C ATOM 923 C LYS A 63 1.998 -17.350 -4.675 1.00 0.00 C ATOM 924 O LYS A 63 2.634 -16.443 -5.170 1.00 0.00 O ATOM 925 CB LYS A 63 0.167 -18.095 -6.219 1.00 0.00 C ATOM 926 CG LYS A 63 -1.283 -18.571 -6.235 1.00 0.00 C ATOM 927 CD LYS A 63 -1.332 -20.047 -5.827 1.00 0.00 C ATOM 928 CE LYS A 63 -2.792 -20.496 -5.748 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.904 -21.768 -4.982 1.00 0.00 N ATOM 0 H LYS A 63 0.348 -15.392 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 63 0.013 -17.964 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.344 -17.399 -7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.842 -18.939 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.883 -17.972 -5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.710 -18.442 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.790 -20.655 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.843 -20.187 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.392 -19.722 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.192 -20.633 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.901 -22.060 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.348 -22.508 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.541 -21.626 -4.018 1.00 0.00 H new ATOM 943 N PRO A 64 2.581 -18.316 -3.940 1.00 0.00 N ATOM 944 CA PRO A 64 4.034 -18.318 -3.713 1.00 0.00 C ATOM 945 C PRO A 64 4.841 -18.673 -4.977 1.00 0.00 C ATOM 946 O PRO A 64 4.665 -19.727 -5.554 1.00 0.00 O ATOM 947 CB PRO A 64 4.264 -19.428 -2.665 1.00 0.00 C ATOM 948 CG PRO A 64 2.931 -20.219 -2.527 1.00 0.00 C ATOM 949 CD PRO A 64 1.848 -19.409 -3.256 1.00 0.00 C ATOM 0 HA PRO A 64 4.364 -17.326 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.072 -20.089 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.556 -18.997 -1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.026 -21.214 -2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.670 -20.354 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.306 -20.028 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.113 -19.013 -2.555 1.00 0.00 H new ATOM 957 N GLY A 65 5.712 -17.774 -5.373 1.00 0.00 N ATOM 958 CA GLY A 65 6.553 -18.029 -6.591 1.00 0.00 C ATOM 959 C GLY A 65 5.740 -18.014 -7.893 1.00 0.00 C ATOM 960 O GLY A 65 5.238 -19.031 -8.327 1.00 0.00 O ATOM 0 H GLY A 65 5.877 -16.880 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.337 -17.274 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.048 -18.995 -6.489 1.00 0.00 H new ATOM 964 N VAL A 66 5.628 -16.853 -8.485 1.00 0.00 N ATOM 965 CA VAL A 66 4.867 -16.746 -9.745 1.00 0.00 C ATOM 966 C VAL A 66 5.026 -15.355 -10.372 1.00 0.00 C ATOM 967 O VAL A 66 5.196 -14.373 -9.673 1.00 0.00 O ATOM 968 CB VAL A 66 3.395 -16.997 -9.430 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.955 -16.071 -8.301 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.552 -16.722 -10.678 1.00 0.00 C ATOM 0 H VAL A 66 6.033 -15.981 -8.144 1.00 0.00 H new ATOM 0 HA VAL A 66 5.245 -17.479 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 66 3.258 -18.034 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.904 -16.248 -8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.556 -16.268 -7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.090 -15.034 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.501 -16.901 -10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.686 -15.685 -10.986 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.869 -17.384 -11.484 1.00 0.00 H new ATOM 980 N ASP A 67 4.975 -15.298 -11.677 1.00 0.00 N ATOM 981 CA ASP A 67 5.118 -13.985 -12.359 1.00 0.00 C ATOM 982 C ASP A 67 3.915 -13.106 -12.043 1.00 0.00 C ATOM 983 O ASP A 67 2.803 -13.591 -11.968 1.00 0.00 O ATOM 984 CB ASP A 67 5.178 -14.230 -13.875 1.00 0.00 C ATOM 985 CG ASP A 67 6.056 -13.161 -14.525 1.00 0.00 C ATOM 986 OD1 ASP A 67 7.252 -13.226 -14.288 1.00 0.00 O ATOM 987 OD2 ASP A 67 5.485 -12.340 -15.222 1.00 0.00 O ATOM 0 H ASP A 67 4.841 -16.099 -12.294 1.00 0.00 H new ATOM 0 HA ASP A 67 6.025 -13.487 -12.016 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.582 -15.222 -14.079 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.175 -14.201 -14.300 1.00 0.00 H new ATOM 992 N TYR A 68 4.147 -11.826 -11.862 1.00 0.00 N ATOM 993 CA TYR A 68 3.015 -10.929 -11.551 1.00 0.00 C ATOM 994 C TYR A 68 3.174 -9.560 -12.189 1.00 0.00 C ATOM 995 O TYR A 68 4.272 -9.092 -12.409 1.00 0.00 O ATOM 996 CB TYR A 68 2.985 -10.745 -10.038 1.00 0.00 C ATOM 997 CG TYR A 68 1.803 -11.520 -9.458 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.511 -11.220 -9.839 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.013 -12.544 -8.560 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.552 -11.936 -9.332 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.951 -13.261 -8.053 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.341 -12.962 -8.434 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.405 -13.680 -7.926 1.00 0.00 O ATOM 0 H TYR A 68 5.062 -11.379 -11.918 1.00 0.00 H new ATOM 0 HA TYR A 68 2.100 -11.375 -11.940 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.918 -11.099 -9.599 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.898 -9.687 -9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.331 -10.418 -10.540 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.019 -12.787 -8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.558 -11.692 -9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.131 -14.063 -7.352 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.073 -14.365 -7.309 1.00 0.00 H new ATOM 1013 N THR A 69 2.051 -8.946 -12.469 1.00 0.00 N ATOM 1014 CA THR A 69 2.063 -7.597 -13.094 1.00 0.00 C ATOM 1015 C THR A 69 1.334 -6.608 -12.187 1.00 0.00 C ATOM 1016 O THR A 69 0.190 -6.829 -11.824 1.00 0.00 O ATOM 1017 CB THR A 69 1.332 -7.678 -14.437 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.128 -9.057 -14.668 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.245 -7.226 -15.586 1.00 0.00 C ATOM 0 H THR A 69 1.123 -9.328 -12.288 1.00 0.00 H new ATOM 0 HA THR A 69 3.090 -7.263 -13.240 1.00 0.00 H new ATOM 0 HB THR A 69 0.430 -7.067 -14.403 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.378 -9.373 -14.122 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.703 -7.293 -16.529 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.557 -6.195 -15.419 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.124 -7.869 -15.627 1.00 0.00 H new ATOM 1027 N ILE A 70 2.010 -5.535 -11.838 1.00 0.00 N ATOM 1028 CA ILE A 70 1.377 -4.510 -10.949 1.00 0.00 C ATOM 1029 C ILE A 70 1.117 -3.206 -11.708 1.00 0.00 C ATOM 1030 O ILE A 70 1.953 -2.740 -12.458 1.00 0.00 O ATOM 1031 CB ILE A 70 2.347 -4.247 -9.773 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.865 -3.076 -8.911 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.730 -3.894 -10.342 1.00 0.00 C ATOM 1034 CD1 ILE A 70 0.441 -3.355 -8.419 1.00 0.00 C ATOM 0 H ILE A 70 2.965 -5.328 -12.129 1.00 0.00 H new ATOM 0 HA ILE A 70 0.416 -4.878 -10.589 1.00 0.00 H new ATOM 0 HB ILE A 70 2.392 -5.144 -9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.534 -2.937 -8.062 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.887 -2.152 -9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.424 -3.706 -9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.098 -4.724 -10.946 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.651 -3.001 -10.962 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.098 -2.522 -7.806 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.223 -3.473 -9.275 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.434 -4.269 -7.826 1.00 0.00 H new ATOM 1046 N THR A 71 -0.051 -2.648 -11.499 1.00 0.00 N ATOM 1047 CA THR A 71 -0.403 -1.376 -12.190 1.00 0.00 C ATOM 1048 C THR A 71 -1.128 -0.431 -11.239 1.00 0.00 C ATOM 1049 O THR A 71 -2.162 -0.773 -10.700 1.00 0.00 O ATOM 1050 CB THR A 71 -1.341 -1.702 -13.359 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.630 -2.606 -14.177 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.568 -0.467 -14.250 1.00 0.00 C ATOM 0 H THR A 71 -0.772 -3.020 -10.881 1.00 0.00 H new ATOM 0 HA THR A 71 0.511 -0.896 -12.540 1.00 0.00 H new ATOM 0 HB THR A 71 -2.291 -2.069 -12.970 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.183 -2.855 -14.947 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.237 -0.728 -15.070 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.015 0.332 -13.658 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.614 -0.129 -14.654 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.571 0.749 -11.054 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.227 1.736 -10.134 1.00 0.00 C ATOM 1062 C VAL A 72 -1.907 2.855 -10.921 1.00 0.00 C ATOM 1063 O VAL A 72 -1.419 3.289 -11.957 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.153 2.348 -9.204 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.549 1.222 -8.446 1.00 0.00 C ATOM 1066 CG2 VAL A 72 0.870 3.105 -10.036 1.00 0.00 C ATOM 0 H VAL A 72 0.294 1.065 -11.493 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.987 1.216 -9.551 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.626 3.033 -8.500 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.308 1.645 -7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.181 0.673 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.022 0.544 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.626 3.536 -9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.346 2.421 -10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.372 3.902 -10.588 1.00 0.00 H new ATOM 1076 N TYR A 73 -3.028 3.294 -10.404 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.799 4.382 -11.068 1.00 0.00 C ATOM 1078 C TYR A 73 -3.819 5.640 -10.186 1.00 0.00 C ATOM 1079 O TYR A 73 -4.678 5.787 -9.340 1.00 0.00 O ATOM 1080 CB TYR A 73 -5.247 3.882 -11.220 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.513 3.385 -12.643 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.953 2.205 -13.091 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -6.376 4.074 -13.474 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -5.255 1.720 -14.348 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -6.678 3.588 -14.729 1.00 0.00 C ATOM 1086 CZ TYR A 73 -6.120 2.407 -15.177 1.00 0.00 C ATOM 1087 OH TYR A 73 -6.423 1.920 -16.432 1.00 0.00 O ATOM 0 H TYR A 73 -3.443 2.940 -9.542 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.345 4.628 -12.028 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.433 3.076 -10.510 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.940 4.687 -10.977 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.274 1.658 -12.454 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.818 5.001 -13.138 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.811 0.795 -14.686 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.356 4.136 -15.366 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.048 2.530 -16.877 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.876 6.520 -10.396 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.844 7.763 -9.569 1.00 0.00 C ATOM 1099 C ALA A 74 -3.839 8.800 -10.089 1.00 0.00 C ATOM 1100 O ALA A 74 -3.499 9.623 -10.915 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.429 8.358 -9.647 1.00 0.00 C ATOM 0 H ALA A 74 -2.137 6.435 -11.093 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.113 7.510 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.384 9.268 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.709 7.635 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.190 8.593 -10.684 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.048 8.755 -9.583 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.068 9.735 -10.046 1.00 0.00 C ATOM 1109 C VAL A 75 -5.857 11.107 -9.414 1.00 0.00 C ATOM 1110 O VAL A 75 -6.004 11.277 -8.212 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.463 9.212 -9.659 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.536 10.079 -10.327 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.611 7.774 -10.157 1.00 0.00 C ATOM 0 H VAL A 75 -5.366 8.089 -8.878 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.977 9.844 -11.127 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.580 9.249 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.524 9.710 -10.054 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.429 11.111 -9.993 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.418 10.034 -11.410 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.597 7.395 -9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.498 7.751 -11.241 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.844 7.149 -9.699 1.00 0.00 H new ATOM 1123 N THR A 76 -5.519 12.061 -10.253 1.00 0.00 N ATOM 1124 CA THR A 76 -5.286 13.441 -9.760 1.00 0.00 C ATOM 1125 C THR A 76 -5.863 14.462 -10.738 1.00 0.00 C ATOM 1126 O THR A 76 -5.627 14.388 -11.927 1.00 0.00 O ATOM 1127 CB THR A 76 -3.774 13.679 -9.659 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.219 13.036 -10.786 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.172 12.938 -8.457 1.00 0.00 C ATOM 0 H THR A 76 -5.397 11.934 -11.258 1.00 0.00 H new ATOM 0 HA THR A 76 -5.769 13.555 -8.789 1.00 0.00 H new ATOM 0 HB THR A 76 -3.578 14.748 -9.579 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.773 13.220 -11.573 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.099 13.127 -8.413 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.641 13.293 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.348 11.868 -8.564 1.00 0.00 H new ATOM 1137 N GLY A 77 -6.606 15.393 -10.220 1.00 0.00 N ATOM 1138 CA GLY A 77 -7.210 16.434 -11.104 1.00 0.00 C ATOM 1139 C GLY A 77 -7.331 17.745 -10.334 1.00 0.00 C ATOM 1140 O GLY A 77 -8.194 17.890 -9.490 1.00 0.00 O ATOM 0 H GLY A 77 -6.824 15.483 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.593 16.576 -11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.192 16.110 -11.448 1.00 0.00 H new ATOM 1144 N ARG A 78 -6.458 18.671 -10.642 1.00 0.00 N ATOM 1145 CA ARG A 78 -6.488 19.982 -9.950 1.00 0.00 C ATOM 1146 C ARG A 78 -6.737 21.127 -10.935 1.00 0.00 C ATOM 1147 O ARG A 78 -7.867 21.442 -11.249 1.00 0.00 O ATOM 1148 CB ARG A 78 -5.118 20.173 -9.268 1.00 0.00 C ATOM 1149 CG ARG A 78 -5.127 21.471 -8.467 1.00 0.00 C ATOM 1150 CD ARG A 78 -3.786 21.622 -7.746 1.00 0.00 C ATOM 1151 NE ARG A 78 -3.127 22.873 -8.212 1.00 0.00 N ATOM 1152 CZ ARG A 78 -2.028 22.796 -8.909 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -2.085 22.341 -10.130 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -0.905 23.173 -8.360 1.00 0.00 N ATOM 0 H ARG A 78 -5.727 18.569 -11.346 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.300 19.995 -9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.906 19.329 -8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.327 20.201 -10.018 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.296 22.320 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.944 21.462 -7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.940 21.656 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.149 20.761 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.532 23.782 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.980 22.052 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.235 22.274 -10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.898 23.521 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.035 23.120 -8.890 1.00 0.00 H new ATOM 1168 N GLY A 79 -5.679 21.725 -11.400 1.00 0.00 N ATOM 1169 CA GLY A 79 -5.821 22.855 -12.365 1.00 0.00 C ATOM 1170 C GLY A 79 -6.774 22.503 -13.508 1.00 0.00 C ATOM 1171 O GLY A 79 -7.980 22.519 -13.346 1.00 0.00 O ATOM 0 H GLY A 79 -4.719 21.482 -11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.190 23.737 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.843 23.112 -12.772 1.00 0.00 H new ATOM 1175 N ASP A 80 -6.204 22.210 -14.644 1.00 0.00 N ATOM 1176 CA ASP A 80 -7.033 21.855 -15.828 1.00 0.00 C ATOM 1177 C ASP A 80 -6.526 20.582 -16.490 1.00 0.00 C ATOM 1178 O ASP A 80 -7.113 20.099 -17.439 1.00 0.00 O ATOM 1179 CB ASP A 80 -6.929 23.003 -16.842 1.00 0.00 C ATOM 1180 CG ASP A 80 -5.546 22.969 -17.497 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -4.619 23.389 -16.824 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -5.494 22.521 -18.631 1.00 0.00 O ATOM 0 H ASP A 80 -5.196 22.201 -14.803 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.062 21.694 -15.506 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.706 22.907 -17.600 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.086 23.960 -16.344 1.00 0.00 H new ATOM 1187 N SER A 81 -5.444 20.057 -15.986 1.00 0.00 N ATOM 1188 CA SER A 81 -4.901 18.819 -16.587 1.00 0.00 C ATOM 1189 C SER A 81 -6.021 17.777 -16.763 1.00 0.00 C ATOM 1190 O SER A 81 -7.053 17.867 -16.127 1.00 0.00 O ATOM 1191 CB SER A 81 -3.836 18.252 -15.636 1.00 0.00 C ATOM 1192 OG SER A 81 -4.374 17.008 -15.215 1.00 0.00 O ATOM 0 H SER A 81 -4.921 20.430 -15.193 1.00 0.00 H new ATOM 0 HA SER A 81 -4.471 19.043 -17.563 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.879 18.122 -16.142 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.662 18.917 -14.790 1.00 0.00 H new ATOM 0 HG SER A 81 -3.749 16.573 -14.598 1.00 0.00 H new ATOM 1198 N PRO A 82 -5.797 16.793 -17.633 1.00 0.00 N ATOM 1199 CA PRO A 82 -6.796 15.753 -17.874 1.00 0.00 C ATOM 1200 C PRO A 82 -7.059 14.932 -16.618 1.00 0.00 C ATOM 1201 O PRO A 82 -6.219 14.162 -16.193 1.00 0.00 O ATOM 1202 CB PRO A 82 -6.169 14.841 -18.948 1.00 0.00 C ATOM 1203 CG PRO A 82 -4.709 15.335 -19.180 1.00 0.00 C ATOM 1204 CD PRO A 82 -4.551 16.654 -18.412 1.00 0.00 C ATOM 0 HA PRO A 82 -7.748 16.188 -18.178 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.176 13.801 -18.621 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.742 14.887 -19.874 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.991 14.595 -18.826 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.517 15.483 -20.243 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.678 16.629 -17.760 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.416 17.494 -19.093 1.00 0.00 H new ATOM 1212 N ALA A 83 -8.216 15.107 -16.042 1.00 0.00 N ATOM 1213 CA ALA A 83 -8.531 14.338 -14.819 1.00 0.00 C ATOM 1214 C ALA A 83 -8.243 12.860 -15.034 1.00 0.00 C ATOM 1215 O ALA A 83 -8.189 12.091 -14.095 1.00 0.00 O ATOM 1216 CB ALA A 83 -10.023 14.513 -14.499 1.00 0.00 C ATOM 0 H ALA A 83 -8.945 15.743 -16.365 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.916 14.703 -13.997 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.270 13.951 -13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.239 15.569 -14.338 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.620 14.143 -15.333 1.00 0.00 H new ATOM 1222 N SER A 84 -8.070 12.488 -16.272 1.00 0.00 N ATOM 1223 CA SER A 84 -7.783 11.065 -16.570 1.00 0.00 C ATOM 1224 C SER A 84 -6.403 10.685 -16.061 1.00 0.00 C ATOM 1225 O SER A 84 -5.399 11.018 -16.657 1.00 0.00 O ATOM 1226 CB SER A 84 -7.825 10.861 -18.092 1.00 0.00 C ATOM 1227 OG SER A 84 -8.011 12.169 -18.614 1.00 0.00 O ATOM 0 H SER A 84 -8.115 13.106 -17.082 1.00 0.00 H new ATOM 0 HA SER A 84 -8.528 10.440 -16.078 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.902 10.413 -18.459 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.639 10.197 -18.382 1.00 0.00 H new ATOM 0 HG SER A 84 -8.962 12.404 -18.576 1.00 0.00 H new ATOM 1233 N SER A 85 -6.386 9.999 -14.961 1.00 0.00 N ATOM 1234 CA SER A 85 -5.096 9.575 -14.371 1.00 0.00 C ATOM 1235 C SER A 85 -4.139 9.041 -15.423 1.00 0.00 C ATOM 1236 O SER A 85 -4.516 8.798 -16.553 1.00 0.00 O ATOM 1237 CB SER A 85 -5.384 8.433 -13.387 1.00 0.00 C ATOM 1238 OG SER A 85 -6.729 8.645 -12.991 1.00 0.00 O ATOM 0 H SER A 85 -7.216 9.712 -14.442 1.00 0.00 H new ATOM 0 HA SER A 85 -4.638 10.439 -13.890 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.257 7.459 -13.859 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.708 8.464 -12.533 1.00 0.00 H new ATOM 0 HG SER A 85 -7.297 7.943 -13.372 1.00 0.00 H new ATOM 1244 N LYS A 86 -2.905 8.885 -15.017 1.00 0.00 N ATOM 1245 CA LYS A 86 -1.868 8.367 -15.938 1.00 0.00 C ATOM 1246 C LYS A 86 -1.359 7.022 -15.368 1.00 0.00 C ATOM 1247 O LYS A 86 -0.391 6.992 -14.635 1.00 0.00 O ATOM 1248 CB LYS A 86 -0.697 9.381 -15.969 1.00 0.00 C ATOM 1249 CG LYS A 86 0.486 8.806 -16.782 1.00 0.00 C ATOM 1250 CD LYS A 86 -0.018 8.250 -18.120 1.00 0.00 C ATOM 1251 CE LYS A 86 1.162 8.115 -19.084 1.00 0.00 C ATOM 1252 NZ LYS A 86 0.882 7.070 -20.111 1.00 0.00 N ATOM 0 H LYS A 86 -2.575 9.099 -14.076 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.266 8.227 -16.943 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.030 10.319 -16.412 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.374 9.606 -14.953 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.229 9.584 -16.959 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.979 8.017 -16.214 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.493 7.280 -17.969 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.774 8.913 -18.542 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.351 9.071 -19.572 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.064 7.856 -18.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.693 6.992 -20.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.724 6.156 -19.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.033 7.333 -20.652 1.00 0.00 H new ATOM 1266 N PRO A 87 -2.038 5.922 -15.700 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.636 4.609 -15.202 1.00 0.00 C ATOM 1268 C PRO A 87 -0.243 4.196 -15.639 1.00 0.00 C ATOM 1269 O PRO A 87 0.195 4.493 -16.730 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.668 3.626 -15.784 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.690 4.456 -16.611 1.00 0.00 C ATOM 1272 CD PRO A 87 -3.218 5.912 -16.587 1.00 0.00 C ATOM 0 HA PRO A 87 -1.606 4.622 -14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.178 2.884 -16.414 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.173 3.082 -14.985 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.746 4.087 -17.635 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.690 4.369 -16.186 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.961 6.259 -17.588 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.999 6.573 -16.211 1.00 0.00 H new ATOM 1280 N ILE A 88 0.423 3.510 -14.755 1.00 0.00 N ATOM 1281 CA ILE A 88 1.794 3.042 -15.054 1.00 0.00 C ATOM 1282 C ILE A 88 1.993 1.673 -14.427 1.00 0.00 C ATOM 1283 O ILE A 88 1.705 1.484 -13.260 1.00 0.00 O ATOM 1284 CB ILE A 88 2.797 4.030 -14.454 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.214 3.638 -14.858 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.691 3.970 -12.924 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.212 4.596 -14.200 1.00 0.00 C ATOM 0 H ILE A 88 0.070 3.254 -13.833 1.00 0.00 H new ATOM 0 HA ILE A 88 1.944 2.977 -16.132 1.00 0.00 H new ATOM 0 HB ILE A 88 2.578 5.034 -14.816 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.421 2.613 -14.552 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.318 3.674 -15.942 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.401 4.670 -12.482 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.680 4.238 -12.619 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.917 2.960 -12.583 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.226 4.318 -14.487 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.008 5.615 -14.528 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.113 4.537 -13.116 1.00 0.00 H new ATOM 1299 N SER A 89 2.476 0.737 -15.208 1.00 0.00 N ATOM 1300 CA SER A 89 2.691 -0.632 -14.660 1.00 0.00 C ATOM 1301 C SER A 89 4.083 -1.159 -14.958 1.00 0.00 C ATOM 1302 O SER A 89 4.796 -0.635 -15.790 1.00 0.00 O ATOM 1303 CB SER A 89 1.684 -1.575 -15.329 1.00 0.00 C ATOM 1304 OG SER A 89 2.216 -1.783 -16.630 1.00 0.00 O ATOM 0 H SER A 89 2.727 0.862 -16.189 1.00 0.00 H new ATOM 0 HA SER A 89 2.566 -0.585 -13.578 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.592 -2.513 -14.781 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.689 -1.131 -15.371 1.00 0.00 H new ATOM 0 HG SER A 89 1.627 -2.384 -17.132 1.00 0.00 H new ATOM 1310 N ILE A 90 4.431 -2.199 -14.259 1.00 0.00 N ATOM 1311 CA ILE A 90 5.759 -2.818 -14.448 1.00 0.00 C ATOM 1312 C ILE A 90 5.678 -4.303 -14.114 1.00 0.00 C ATOM 1313 O ILE A 90 4.914 -4.707 -13.254 1.00 0.00 O ATOM 1314 CB ILE A 90 6.768 -2.152 -13.497 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.040 -1.592 -12.273 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.462 -0.991 -14.246 1.00 0.00 C ATOM 1317 CD1 ILE A 90 7.012 -1.526 -11.090 1.00 0.00 C ATOM 0 H ILE A 90 3.842 -2.648 -13.558 1.00 0.00 H new ATOM 0 HA ILE A 90 6.076 -2.687 -15.483 1.00 0.00 H new ATOM 0 HB ILE A 90 7.503 -2.888 -13.171 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.648 -0.599 -12.492 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.187 -2.223 -12.023 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.181 -0.509 -13.584 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.981 -1.381 -15.122 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.714 -0.263 -14.561 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.496 -1.127 -10.217 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.382 -2.527 -10.867 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.850 -0.877 -11.344 1.00 0.00 H new ATOM 1329 N ASN A 91 6.449 -5.095 -14.801 1.00 0.00 N ATOM 1330 CA ASN A 91 6.420 -6.544 -14.527 1.00 0.00 C ATOM 1331 C ASN A 91 7.300 -6.870 -13.327 1.00 0.00 C ATOM 1332 O ASN A 91 8.282 -6.201 -13.080 1.00 0.00 O ATOM 1333 CB ASN A 91 6.971 -7.275 -15.757 1.00 0.00 C ATOM 1334 CG ASN A 91 7.844 -6.317 -16.568 1.00 0.00 C ATOM 1335 OD1 ASN A 91 7.460 -5.847 -17.620 1.00 0.00 O ATOM 1336 ND2 ASN A 91 9.027 -6.003 -16.112 1.00 0.00 N ATOM 0 H ASN A 91 7.092 -4.798 -15.535 1.00 0.00 H new ATOM 0 HA ASN A 91 5.398 -6.856 -14.313 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.554 -8.142 -15.447 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.150 -7.645 -16.371 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.624 -5.366 -16.639 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.354 -6.395 -15.229 1.00 0.00 H new ATOM 1343 N TYR A 92 6.935 -7.887 -12.599 1.00 0.00 N ATOM 1344 CA TYR A 92 7.752 -8.254 -11.417 1.00 0.00 C ATOM 1345 C TYR A 92 7.519 -9.701 -11.016 1.00 0.00 C ATOM 1346 O TYR A 92 6.395 -10.161 -10.958 1.00 0.00 O ATOM 1347 CB TYR A 92 7.358 -7.349 -10.239 1.00 0.00 C ATOM 1348 CG TYR A 92 8.397 -7.502 -9.119 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.387 -8.615 -8.299 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.367 -6.539 -8.925 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.333 -8.761 -7.303 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.313 -6.685 -7.928 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.304 -7.797 -7.110 1.00 0.00 C ATOM 1354 OH TYR A 92 11.249 -7.943 -6.113 1.00 0.00 O ATOM 0 H TYR A 92 6.117 -8.472 -12.770 1.00 0.00 H new ATOM 0 HA TYR A 92 8.804 -8.127 -11.673 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.306 -6.310 -10.564 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.367 -7.619 -9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.634 -9.376 -8.438 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.387 -5.664 -9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.314 -9.636 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.065 -5.923 -7.788 1.00 0.00 H new ATOM 0 HH TYR A 92 11.854 -7.172 -6.121 1.00 0.00 H new ATOM 1364 N ARG A 93 8.589 -10.392 -10.747 1.00 0.00 N ATOM 1365 CA ARG A 93 8.462 -11.811 -10.348 1.00 0.00 C ATOM 1366 C ARG A 93 8.420 -11.923 -8.828 1.00 0.00 C ATOM 1367 O ARG A 93 9.390 -11.620 -8.160 1.00 0.00 O ATOM 1368 CB ARG A 93 9.691 -12.580 -10.872 1.00 0.00 C ATOM 1369 CG ARG A 93 10.034 -12.103 -12.294 1.00 0.00 C ATOM 1370 CD ARG A 93 11.239 -11.154 -12.231 1.00 0.00 C ATOM 1371 NE ARG A 93 11.399 -10.479 -13.552 1.00 0.00 N ATOM 1372 CZ ARG A 93 12.218 -9.466 -13.658 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.181 -9.342 -12.788 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.048 -8.614 -14.633 1.00 0.00 N ATOM 0 H ARG A 93 9.543 -10.033 -10.787 1.00 0.00 H new ATOM 0 HA ARG A 93 7.544 -12.226 -10.764 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.542 -12.420 -10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.487 -13.651 -10.877 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.261 -12.957 -12.932 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.178 -11.594 -12.736 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.093 -10.413 -11.445 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.143 -11.710 -11.981 1.00 0.00 H new ATOM 0 HE ARG A 93 10.875 -10.805 -14.364 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.285 -10.029 -12.041 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.830 -8.558 -12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.285 -8.745 -15.297 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.678 -7.818 -14.730 1.00 0.00 H new ATOM 1388 N THR A 94 7.291 -12.359 -8.309 1.00 0.00 N ATOM 1389 CA THR A 94 7.163 -12.498 -6.825 1.00 0.00 C ATOM 1390 C THR A 94 7.002 -13.958 -6.427 1.00 0.00 C ATOM 1391 O THR A 94 7.012 -14.768 -7.335 1.00 0.00 O ATOM 1392 CB THR A 94 5.915 -11.727 -6.373 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.316 -11.255 -7.561 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.305 -10.453 -5.601 1.00 0.00 C ATOM 1395 OXT THR A 94 6.880 -14.185 -5.234 1.00 0.00 O ATOM 0 H THR A 94 6.464 -12.621 -8.845 1.00 0.00 H new ATOM 0 HA THR A 94 8.064 -12.104 -6.354 1.00 0.00 H new ATOM 0 HB THR A 94 5.289 -12.370 -5.754 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.505 -10.751 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.403 -9.925 -5.292 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.886 -10.725 -4.720 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.902 -9.806 -6.244 1.00 0.00 H new TER 1403 THR A 94