USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 80 LYS NZ :NH3+ 176:sc= -0.322 (180deg=-0.517) USER MOD Set 1.2: A 84 THR OG1 : rot 59:sc= 0.108 USER MOD Set 2.1: A 48 HIS : no HD1:sc= -3.24 K(o=-3.2,f=-0.91) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set 3.1: A 44 LYS NZ :NH3+ -113:sc= -0.174 (180deg=-0.571) USER MOD Set 3.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 28 LYS NZ :NH3+ -169:sc= -1.41 (180deg=-0.272) USER MOD Set 4.2: A 31 GLN : amide:sc= -1.52 K(o=-6,f=-11!) USER MOD Set 4.3: A 109 SER OG : rot 93:sc= -3.05! USER MOD Set 5.1: A 26 HIS : no HD1:sc= -6.42! C(o=-6.9!,f=-12!) USER MOD Set 5.2: A 27 LYS NZ :NH3+ -154:sc= -0.475 (180deg=-1.93!) USER MOD Single : A 2 MET CE :methyl -149:sc= -8.81! (180deg=-12.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00352 USER MOD Single : A 7 SER OG : rot 17:sc= -4.59! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0424) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -120:sc= -0.0774 (180deg=-2.95!) USER MOD Single : A 36 LYS NZ :NH3+ -114:sc= -3.09! (180deg=-7.01!) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -0.0397 (180deg=-0.274) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0.0235 (180deg=0.0186) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0308 (180deg=-0.195) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -42:sc= -3.68! USER MOD Single : A 72 SER OG : rot 40:sc= 0.398 USER MOD Single : A 78 SER OG : rot 24:sc= 1.12 USER MOD Single : A 82 THR OG1 : rot 40:sc= 1.03 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 156:sc= -10.3! (180deg=-15.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -120:sc= 0.144 (180deg=-0.888) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 5.333 -6.597 6.414 1.00 0.00 N ATOM 15 CA MET A 2 5.246 -7.419 5.211 1.00 0.00 C ATOM 16 C MET A 2 6.628 -7.637 4.603 1.00 0.00 C ATOM 17 O MET A 2 7.056 -6.890 3.724 1.00 0.00 O ATOM 18 CB MET A 2 4.321 -6.757 4.190 1.00 0.00 C ATOM 19 CG MET A 2 3.956 -7.653 3.017 1.00 0.00 C ATOM 20 SD MET A 2 2.743 -8.924 3.448 1.00 0.00 S ATOM 21 CE MET A 2 3.768 -10.156 4.244 1.00 0.00 C ATOM 0 HA MET A 2 4.836 -8.390 5.487 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.406 -6.443 4.693 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.801 -5.855 3.810 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.559 -7.039 2.208 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.859 -8.133 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.347 -11.146 4.071 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.776 -10.113 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.806 -9.960 5.316 1.00 0.00 H new ATOM 31 N THR A 3 7.321 -8.670 5.077 1.00 0.00 N ATOM 32 CA THR A 3 8.660 -8.987 4.589 1.00 0.00 C ATOM 33 C THR A 3 8.711 -10.378 3.964 1.00 0.00 C ATOM 34 O THR A 3 9.329 -10.577 2.917 1.00 0.00 O ATOM 35 CB THR A 3 9.699 -8.919 5.724 1.00 0.00 C ATOM 36 OG1 THR A 3 9.325 -9.810 6.783 1.00 0.00 O ATOM 37 CG2 THR A 3 9.820 -7.504 6.265 1.00 0.00 C ATOM 0 H THR A 3 6.976 -9.302 5.799 1.00 0.00 H new ATOM 0 HA THR A 3 8.900 -8.242 3.831 1.00 0.00 H new ATOM 0 HB THR A 3 10.666 -9.219 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.991 -9.763 7.501 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.560 -7.482 7.065 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.132 -6.834 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.855 -7.179 6.654 1.00 0.00 H new ATOM 45 N ASP A 4 8.062 -11.334 4.615 1.00 0.00 N ATOM 46 CA ASP A 4 8.036 -12.711 4.133 1.00 0.00 C ATOM 47 C ASP A 4 7.452 -12.792 2.725 1.00 0.00 C ATOM 48 O ASP A 4 7.665 -13.772 2.012 1.00 0.00 O ATOM 49 CB ASP A 4 7.212 -13.583 5.078 1.00 0.00 C ATOM 50 CG ASP A 4 7.265 -15.051 4.707 1.00 0.00 C ATOM 51 OD1 ASP A 4 6.452 -15.481 3.861 1.00 0.00 O ATOM 52 OD2 ASP A 4 8.121 -15.772 5.261 1.00 0.00 O ATOM 0 H ASP A 4 7.545 -11.182 5.481 1.00 0.00 H new ATOM 0 HA ASP A 4 9.063 -13.074 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.578 -13.456 6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.175 -13.246 5.067 1.00 0.00 H new ATOM 57 N LEU A 5 6.718 -11.759 2.333 1.00 0.00 N ATOM 58 CA LEU A 5 6.089 -11.723 1.022 1.00 0.00 C ATOM 59 C LEU A 5 6.739 -10.677 0.123 1.00 0.00 C ATOM 60 O LEU A 5 7.173 -10.984 -0.988 1.00 0.00 O ATOM 61 CB LEU A 5 4.596 -11.432 1.177 1.00 0.00 C ATOM 62 CG LEU A 5 3.774 -12.580 1.743 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.680 -13.705 0.733 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.379 -13.074 3.043 1.00 0.00 C ATOM 0 H LEU A 5 6.544 -10.934 2.907 1.00 0.00 H new ATOM 0 HA LEU A 5 6.224 -12.696 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.475 -10.564 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.191 -11.160 0.202 1.00 0.00 H new ATOM 0 HG LEU A 5 2.767 -12.220 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.089 -14.520 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.202 -13.339 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.681 -14.066 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.779 -13.895 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.396 -13.422 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.398 -12.260 3.768 1.00 0.00 H new ATOM 76 N LEU A 6 6.802 -9.443 0.609 1.00 0.00 N ATOM 77 CA LEU A 6 7.396 -8.353 -0.156 1.00 0.00 C ATOM 78 C LEU A 6 8.876 -8.208 0.169 1.00 0.00 C ATOM 79 O LEU A 6 9.300 -8.452 1.299 1.00 0.00 O ATOM 80 CB LEU A 6 6.675 -7.041 0.145 1.00 0.00 C ATOM 81 CG LEU A 6 5.156 -7.090 0.001 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.554 -5.728 0.283 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.771 -7.570 -1.388 1.00 0.00 C ATOM 0 H LEU A 6 6.450 -9.172 1.527 1.00 0.00 H new ATOM 0 HA LEU A 6 7.291 -8.587 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.918 -6.736 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.063 -6.270 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 6 4.760 -7.797 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.470 -5.780 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.804 -5.423 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.954 -5.000 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.685 -7.599 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.176 -6.887 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.175 -8.569 -1.553 1.00 0.00 H new ATOM 95 N SER A 7 9.658 -7.804 -0.828 1.00 0.00 N ATOM 96 CA SER A 7 11.092 -7.619 -0.642 1.00 0.00 C ATOM 97 C SER A 7 11.364 -6.745 0.578 1.00 0.00 C ATOM 98 O SER A 7 11.066 -5.550 0.577 1.00 0.00 O ATOM 99 CB SER A 7 11.710 -6.985 -1.890 1.00 0.00 C ATOM 100 OG SER A 7 10.940 -5.884 -2.347 1.00 0.00 O ATOM 0 H SER A 7 9.323 -7.599 -1.770 1.00 0.00 H new ATOM 0 HA SER A 7 11.548 -8.596 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.724 -6.654 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.785 -7.732 -2.680 1.00 0.00 H new ATOM 0 HG SER A 7 10.335 -5.590 -1.634 1.00 0.00 H new ATOM 106 N ALA A 8 11.933 -7.350 1.616 1.00 0.00 N ATOM 107 CA ALA A 8 12.240 -6.638 2.850 1.00 0.00 C ATOM 108 C ALA A 8 13.288 -5.553 2.624 1.00 0.00 C ATOM 109 O ALA A 8 13.163 -4.438 3.130 1.00 0.00 O ATOM 110 CB ALA A 8 12.720 -7.616 3.911 1.00 0.00 C ATOM 0 H ALA A 8 12.192 -8.337 1.626 1.00 0.00 H new ATOM 0 HA ALA A 8 11.326 -6.153 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.947 -7.074 4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.940 -8.352 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.618 -8.124 3.558 1.00 0.00 H new ATOM 116 N GLU A 9 14.321 -5.888 1.861 1.00 0.00 N ATOM 117 CA GLU A 9 15.396 -4.948 1.571 1.00 0.00 C ATOM 118 C GLU A 9 14.863 -3.721 0.831 1.00 0.00 C ATOM 119 O GLU A 9 15.221 -2.587 1.143 1.00 0.00 O ATOM 120 CB GLU A 9 16.486 -5.640 0.741 1.00 0.00 C ATOM 121 CG GLU A 9 16.099 -5.864 -0.713 1.00 0.00 C ATOM 122 CD GLU A 9 17.193 -6.548 -1.508 1.00 0.00 C ATOM 123 OE1 GLU A 9 18.132 -5.851 -1.946 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.111 -7.781 -1.693 1.00 0.00 O ATOM 0 H GLU A 9 14.437 -6.806 1.431 1.00 0.00 H new ATOM 0 HA GLU A 9 15.826 -4.613 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.394 -5.039 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.722 -6.601 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.193 -6.468 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.865 -4.905 -1.175 1.00 0.00 H new ATOM 131 N ASP A 10 13.997 -3.966 -0.144 1.00 0.00 N ATOM 132 CA ASP A 10 13.409 -2.900 -0.951 1.00 0.00 C ATOM 133 C ASP A 10 12.616 -1.908 -0.109 1.00 0.00 C ATOM 134 O ASP A 10 12.852 -0.701 -0.154 1.00 0.00 O ATOM 135 CB ASP A 10 12.465 -3.517 -1.972 1.00 0.00 C ATOM 136 CG ASP A 10 13.170 -4.484 -2.904 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.108 -5.172 -2.447 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.787 -4.549 -4.091 1.00 0.00 O ATOM 0 H ASP A 10 13.683 -4.903 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 10 14.227 -2.363 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.662 -4.039 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.001 -2.724 -2.559 1.00 0.00 H new ATOM 143 N ILE A 11 11.674 -2.438 0.656 1.00 0.00 N ATOM 144 CA ILE A 11 10.813 -1.628 1.507 1.00 0.00 C ATOM 145 C ILE A 11 11.621 -0.781 2.480 1.00 0.00 C ATOM 146 O ILE A 11 11.445 0.435 2.549 1.00 0.00 O ATOM 147 CB ILE A 11 9.860 -2.532 2.300 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.044 -3.427 1.365 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.938 -1.695 3.172 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.790 -4.809 1.924 1.00 0.00 C ATOM 0 H ILE A 11 11.484 -3.439 0.705 1.00 0.00 H new ATOM 0 HA ILE A 11 10.245 -0.960 0.859 1.00 0.00 H new ATOM 0 HB ILE A 11 10.461 -3.175 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.088 -2.946 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.568 -3.519 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.268 -2.351 3.728 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.533 -1.107 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.351 -1.026 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.206 -5.389 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.742 -5.309 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.239 -4.727 2.861 1.00 0.00 H new ATOM 162 N LYS A 12 12.506 -1.421 3.231 1.00 0.00 N ATOM 163 CA LYS A 12 13.329 -0.712 4.199 1.00 0.00 C ATOM 164 C LYS A 12 14.037 0.469 3.542 1.00 0.00 C ATOM 165 O LYS A 12 14.093 1.565 4.101 1.00 0.00 O ATOM 166 CB LYS A 12 14.355 -1.660 4.819 1.00 0.00 C ATOM 167 CG LYS A 12 13.734 -2.724 5.708 1.00 0.00 C ATOM 168 CD LYS A 12 14.796 -3.573 6.387 1.00 0.00 C ATOM 169 CE LYS A 12 15.674 -4.290 5.374 1.00 0.00 C ATOM 170 NZ LYS A 12 16.707 -5.135 6.033 1.00 0.00 N ATOM 0 H LYS A 12 12.672 -2.427 3.189 1.00 0.00 H new ATOM 0 HA LYS A 12 12.679 -0.331 4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.918 -2.146 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.068 -1.079 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.109 -2.248 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.083 -3.363 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.416 -2.941 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.316 -4.306 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.052 -4.913 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.161 -3.556 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.284 -5.606 5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.317 -4.538 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.242 -5.852 6.626 1.00 0.00 H new ATOM 184 N LYS A 13 14.576 0.237 2.349 1.00 0.00 N ATOM 185 CA LYS A 13 15.287 1.277 1.610 1.00 0.00 C ATOM 186 C LYS A 13 14.327 2.301 1.021 1.00 0.00 C ATOM 187 O LYS A 13 14.499 3.502 1.196 1.00 0.00 O ATOM 188 CB LYS A 13 16.096 0.649 0.479 1.00 0.00 C ATOM 189 CG LYS A 13 17.008 -0.470 0.940 1.00 0.00 C ATOM 190 CD LYS A 13 17.266 -1.471 -0.171 1.00 0.00 C ATOM 191 CE LYS A 13 17.957 -2.712 0.360 1.00 0.00 C ATOM 192 NZ LYS A 13 19.291 -2.397 0.945 1.00 0.00 N ATOM 0 H LYS A 13 14.534 -0.664 1.872 1.00 0.00 H new ATOM 0 HA LYS A 13 15.949 1.785 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.411 0.262 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.696 1.422 -0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.955 -0.052 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.559 -0.979 1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.322 -1.749 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.882 -1.011 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.330 -3.181 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.076 -3.435 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.788 -3.282 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 19.851 -1.852 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.166 -1.837 1.812 1.00 0.00 H new ATOM 206 N ALA A 14 13.315 1.813 0.321 1.00 0.00 N ATOM 207 CA ALA A 14 12.337 2.686 -0.310 1.00 0.00 C ATOM 208 C ALA A 14 11.578 3.508 0.720 1.00 0.00 C ATOM 209 O ALA A 14 11.266 4.677 0.491 1.00 0.00 O ATOM 210 CB ALA A 14 11.378 1.865 -1.158 1.00 0.00 C ATOM 0 H ALA A 14 13.149 0.817 0.175 1.00 0.00 H new ATOM 0 HA ALA A 14 12.870 3.384 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.649 2.526 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.937 1.336 -1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.860 1.144 -0.526 1.00 0.00 H new ATOM 216 N ILE A 15 11.279 2.892 1.857 1.00 0.00 N ATOM 217 CA ILE A 15 10.555 3.566 2.920 1.00 0.00 C ATOM 218 C ILE A 15 11.432 4.586 3.647 1.00 0.00 C ATOM 219 O ILE A 15 10.959 5.649 4.049 1.00 0.00 O ATOM 220 CB ILE A 15 9.953 2.547 3.896 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.771 1.930 3.169 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.539 3.191 5.222 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.860 1.094 4.028 1.00 0.00 C ATOM 0 H ILE A 15 11.529 1.925 2.064 1.00 0.00 H new ATOM 0 HA ILE A 15 9.736 4.122 2.463 1.00 0.00 H new ATOM 0 HB ILE A 15 10.686 1.789 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.185 2.730 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.148 1.310 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.118 2.431 5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.412 3.639 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.792 3.962 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.048 0.698 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.425 0.268 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.447 1.710 4.827 1.00 0.00 H new ATOM 235 N GLY A 16 12.708 4.257 3.810 1.00 0.00 N ATOM 236 CA GLY A 16 13.620 5.156 4.499 1.00 0.00 C ATOM 237 C GLY A 16 14.410 6.053 3.566 1.00 0.00 C ATOM 238 O GLY A 16 14.361 7.277 3.685 1.00 0.00 O ATOM 0 H GLY A 16 13.128 3.388 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.051 5.777 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.315 4.567 5.097 1.00 0.00 H new ATOM 242 N ALA A 17 15.147 5.446 2.640 1.00 0.00 N ATOM 243 CA ALA A 17 15.964 6.191 1.682 1.00 0.00 C ATOM 244 C ALA A 17 15.259 7.446 1.177 1.00 0.00 C ATOM 245 O ALA A 17 15.828 8.537 1.183 1.00 0.00 O ATOM 246 CB ALA A 17 16.333 5.300 0.504 1.00 0.00 C ATOM 0 H ALA A 17 15.196 4.433 2.531 1.00 0.00 H new ATOM 0 HA ALA A 17 16.867 6.506 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.941 5.865 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.898 4.439 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.425 4.957 0.008 1.00 0.00 H new ATOM 252 N PHE A 18 14.015 7.281 0.744 1.00 0.00 N ATOM 253 CA PHE A 18 13.241 8.385 0.222 1.00 0.00 C ATOM 254 C PHE A 18 11.814 8.374 0.757 1.00 0.00 C ATOM 255 O PHE A 18 11.078 7.404 0.585 1.00 0.00 O ATOM 256 CB PHE A 18 13.246 8.313 -1.300 1.00 0.00 C ATOM 257 CG PHE A 18 12.799 6.987 -1.856 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.454 6.661 -1.929 1.00 0.00 C ATOM 259 CD2 PHE A 18 13.732 6.072 -2.315 1.00 0.00 C ATOM 260 CE1 PHE A 18 11.048 5.443 -2.447 1.00 0.00 C ATOM 261 CE2 PHE A 18 13.333 4.856 -2.832 1.00 0.00 C ATOM 262 CZ PHE A 18 11.990 4.543 -2.898 1.00 0.00 C ATOM 0 H PHE A 18 13.525 6.387 0.747 1.00 0.00 H new ATOM 0 HA PHE A 18 13.696 9.320 0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.597 9.096 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.253 8.524 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.714 7.365 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.784 6.313 -2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.997 5.199 -2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.071 4.150 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.677 3.592 -3.303 1.00 0.00 H new ATOM 272 N THR A 19 11.442 9.449 1.436 1.00 0.00 N ATOM 273 CA THR A 19 10.101 9.574 1.983 1.00 0.00 C ATOM 274 C THR A 19 9.177 10.271 0.986 1.00 0.00 C ATOM 275 O THR A 19 8.002 9.926 0.860 1.00 0.00 O ATOM 276 CB THR A 19 10.103 10.357 3.311 1.00 0.00 C ATOM 277 OG1 THR A 19 10.918 9.682 4.276 1.00 0.00 O ATOM 278 CG2 THR A 19 8.689 10.509 3.851 1.00 0.00 C ATOM 0 H THR A 19 12.050 10.247 1.621 1.00 0.00 H new ATOM 0 HA THR A 19 9.735 8.566 2.175 1.00 0.00 H new ATOM 0 HB THR A 19 10.511 11.350 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.916 10.186 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.715 11.065 4.788 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.079 11.048 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.258 9.523 4.026 1.00 0.00 H new ATOM 286 N ALA A 20 9.728 11.254 0.283 1.00 0.00 N ATOM 287 CA ALA A 20 8.976 12.018 -0.707 1.00 0.00 C ATOM 288 C ALA A 20 8.173 11.109 -1.629 1.00 0.00 C ATOM 289 O ALA A 20 7.022 11.405 -1.952 1.00 0.00 O ATOM 290 CB ALA A 20 9.920 12.892 -1.520 1.00 0.00 C ATOM 0 H ALA A 20 10.701 11.543 0.381 1.00 0.00 H new ATOM 0 HA ALA A 20 8.269 12.652 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.349 13.458 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.440 13.582 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.648 12.263 -2.032 1.00 0.00 H new ATOM 296 N ALA A 21 8.778 10.002 -2.059 1.00 0.00 N ATOM 297 CA ALA A 21 8.096 9.066 -2.949 1.00 0.00 C ATOM 298 C ALA A 21 6.714 8.725 -2.414 1.00 0.00 C ATOM 299 O ALA A 21 5.702 9.095 -3.002 1.00 0.00 O ATOM 300 CB ALA A 21 8.922 7.802 -3.131 1.00 0.00 C ATOM 0 H ALA A 21 9.730 9.734 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 21 7.979 9.545 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.397 7.117 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.889 8.059 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.072 7.323 -2.163 1.00 0.00 H new ATOM 306 N ASP A 22 6.683 8.040 -1.283 1.00 0.00 N ATOM 307 CA ASP A 22 5.423 7.669 -0.652 1.00 0.00 C ATOM 308 C ASP A 22 4.724 8.905 -0.099 1.00 0.00 C ATOM 309 O ASP A 22 3.518 8.892 0.142 1.00 0.00 O ATOM 310 CB ASP A 22 5.660 6.655 0.469 1.00 0.00 C ATOM 311 CG ASP A 22 6.619 7.172 1.524 1.00 0.00 C ATOM 312 OD1 ASP A 22 7.845 7.029 1.334 1.00 0.00 O ATOM 313 OD2 ASP A 22 6.143 7.721 2.539 1.00 0.00 O ATOM 0 H ASP A 22 7.515 7.729 -0.781 1.00 0.00 H new ATOM 0 HA ASP A 22 4.784 7.210 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.708 6.407 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.055 5.733 0.043 1.00 0.00 H new ATOM 318 N SER A 23 5.491 9.975 0.099 1.00 0.00 N ATOM 319 CA SER A 23 4.942 11.216 0.614 1.00 0.00 C ATOM 320 C SER A 23 3.781 11.696 -0.253 1.00 0.00 C ATOM 321 O SER A 23 2.637 11.748 0.199 1.00 0.00 O ATOM 322 CB SER A 23 6.032 12.290 0.665 1.00 0.00 C ATOM 323 OG SER A 23 5.627 13.393 1.459 1.00 0.00 O ATOM 0 H SER A 23 6.493 10.002 -0.091 1.00 0.00 H new ATOM 0 HA SER A 23 4.569 11.034 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.949 11.863 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.259 12.630 -0.345 1.00 0.00 H new ATOM 0 HG SER A 23 6.342 14.063 1.476 1.00 0.00 H new ATOM 329 N PHE A 24 4.082 12.044 -1.500 1.00 0.00 N ATOM 330 CA PHE A 24 3.066 12.532 -2.427 1.00 0.00 C ATOM 331 C PHE A 24 2.531 11.431 -3.346 1.00 0.00 C ATOM 332 O PHE A 24 1.335 11.391 -3.635 1.00 0.00 O ATOM 333 CB PHE A 24 3.629 13.677 -3.269 1.00 0.00 C ATOM 334 CG PHE A 24 4.873 13.312 -4.026 1.00 0.00 C ATOM 335 CD1 PHE A 24 4.792 12.656 -5.243 1.00 0.00 C ATOM 336 CD2 PHE A 24 6.124 13.627 -3.519 1.00 0.00 C ATOM 337 CE1 PHE A 24 5.936 12.320 -5.942 1.00 0.00 C ATOM 338 CE2 PHE A 24 7.271 13.293 -4.214 1.00 0.00 C ATOM 339 CZ PHE A 24 7.178 12.638 -5.427 1.00 0.00 C ATOM 0 H PHE A 24 5.022 11.997 -1.893 1.00 0.00 H new ATOM 0 HA PHE A 24 2.231 12.888 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.867 14.006 -3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.846 14.523 -2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.824 12.404 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.203 14.139 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.859 11.809 -6.890 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.240 13.544 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.073 12.375 -5.971 1.00 0.00 H new ATOM 349 N ASP A 25 3.408 10.541 -3.808 1.00 0.00 N ATOM 350 CA ASP A 25 2.990 9.475 -4.721 1.00 0.00 C ATOM 351 C ASP A 25 3.696 8.149 -4.438 1.00 0.00 C ATOM 352 O ASP A 25 4.781 7.892 -4.964 1.00 0.00 O ATOM 353 CB ASP A 25 3.258 9.911 -6.165 1.00 0.00 C ATOM 354 CG ASP A 25 2.958 8.820 -7.174 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.767 8.608 -7.484 1.00 0.00 O ATOM 356 OD2 ASP A 25 3.917 8.183 -7.657 1.00 0.00 O ATOM 0 H ASP A 25 4.400 10.535 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 25 1.924 9.307 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.652 10.787 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.301 10.211 -6.261 1.00 0.00 H new ATOM 361 N HIS A 26 3.080 7.309 -3.609 1.00 0.00 N ATOM 362 CA HIS A 26 3.650 6.003 -3.284 1.00 0.00 C ATOM 363 C HIS A 26 3.623 5.073 -4.505 1.00 0.00 C ATOM 364 O HIS A 26 4.158 3.970 -4.459 1.00 0.00 O ATOM 365 CB HIS A 26 2.927 5.367 -2.077 1.00 0.00 C ATOM 366 CG HIS A 26 1.722 4.533 -2.409 1.00 0.00 C ATOM 367 ND1 HIS A 26 0.989 4.684 -3.565 1.00 0.00 N ATOM 368 CD2 HIS A 26 1.129 3.525 -1.723 1.00 0.00 C ATOM 369 CE1 HIS A 26 -0.003 3.811 -3.575 1.00 0.00 C ATOM 370 NE2 HIS A 26 0.063 3.094 -2.470 1.00 0.00 N ATOM 0 H HIS A 26 2.190 7.508 -3.152 1.00 0.00 H new ATOM 0 HA HIS A 26 4.693 6.151 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.640 4.745 -1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.620 6.163 -1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.439 3.134 -0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.742 3.703 -4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.575 2.341 -2.213 1.00 0.00 H new ATOM 379 N LYS A 27 2.962 5.498 -5.586 1.00 0.00 N ATOM 380 CA LYS A 27 2.896 4.703 -6.792 1.00 0.00 C ATOM 381 C LYS A 27 4.295 4.291 -7.229 1.00 0.00 C ATOM 382 O LYS A 27 4.578 3.107 -7.406 1.00 0.00 O ATOM 383 CB LYS A 27 2.194 5.494 -7.898 1.00 0.00 C ATOM 384 CG LYS A 27 0.747 5.858 -7.593 1.00 0.00 C ATOM 385 CD LYS A 27 0.036 4.743 -6.854 1.00 0.00 C ATOM 386 CE LYS A 27 -0.037 3.481 -7.690 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.746 2.383 -6.978 1.00 0.00 N ATOM 0 H LYS A 27 2.469 6.389 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 27 2.321 3.799 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.754 6.410 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.222 4.911 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.719 6.768 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.221 6.072 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.558 4.533 -5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.971 5.065 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.550 3.696 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.972 3.156 -7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.415 1.465 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.549 2.446 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.770 2.469 -7.139 1.00 0.00 H new ATOM 401 N LYS A 28 5.171 5.275 -7.394 1.00 0.00 N ATOM 402 CA LYS A 28 6.548 5.005 -7.776 1.00 0.00 C ATOM 403 C LYS A 28 7.186 4.128 -6.709 1.00 0.00 C ATOM 404 O LYS A 28 7.847 3.128 -7.005 1.00 0.00 O ATOM 405 CB LYS A 28 7.318 6.318 -7.921 1.00 0.00 C ATOM 406 CG LYS A 28 8.775 6.134 -8.299 1.00 0.00 C ATOM 407 CD LYS A 28 9.057 6.641 -9.703 1.00 0.00 C ATOM 408 CE LYS A 28 8.360 5.791 -10.752 1.00 0.00 C ATOM 409 NZ LYS A 28 8.865 4.390 -10.757 1.00 0.00 N ATOM 0 H LYS A 28 4.952 6.263 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 28 6.574 4.488 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.831 6.933 -8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.263 6.867 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.406 6.665 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.038 5.078 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.724 7.675 -9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.132 6.635 -9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.287 5.789 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.510 6.234 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.506 3.895 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.905 4.396 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.537 3.900 -9.901 1.00 0.00 H new ATOM 423 N PHE A 29 6.978 4.525 -5.459 1.00 0.00 N ATOM 424 CA PHE A 29 7.464 3.786 -4.311 1.00 0.00 C ATOM 425 C PHE A 29 7.077 2.320 -4.440 1.00 0.00 C ATOM 426 O PHE A 29 7.883 1.419 -4.227 1.00 0.00 O ATOM 427 CB PHE A 29 6.834 4.391 -3.058 1.00 0.00 C ATOM 428 CG PHE A 29 6.936 3.535 -1.844 1.00 0.00 C ATOM 429 CD1 PHE A 29 6.027 2.524 -1.581 1.00 0.00 C ATOM 430 CD2 PHE A 29 7.955 3.757 -0.974 1.00 0.00 C ATOM 431 CE1 PHE A 29 6.154 1.748 -0.445 1.00 0.00 C ATOM 432 CE2 PHE A 29 8.099 2.994 0.168 1.00 0.00 C ATOM 433 CZ PHE A 29 7.193 1.984 0.433 1.00 0.00 C ATOM 0 H PHE A 29 6.465 5.373 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 29 8.550 3.848 -4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.311 5.350 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.782 4.594 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.214 2.341 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.665 4.544 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.443 0.960 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.914 3.185 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.298 1.382 1.323 1.00 0.00 H new ATOM 443 N PHE A 30 5.825 2.120 -4.798 1.00 0.00 N ATOM 444 CA PHE A 30 5.257 0.791 -4.986 1.00 0.00 C ATOM 445 C PHE A 30 6.146 -0.056 -5.883 1.00 0.00 C ATOM 446 O PHE A 30 6.152 -1.283 -5.795 1.00 0.00 O ATOM 447 CB PHE A 30 3.874 0.918 -5.623 1.00 0.00 C ATOM 448 CG PHE A 30 2.822 0.091 -4.950 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.623 -1.222 -5.326 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.036 0.625 -3.940 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.657 -1.996 -4.711 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.068 -0.142 -3.321 1.00 0.00 C ATOM 453 CZ PHE A 30 0.878 -1.454 -3.707 1.00 0.00 C ATOM 0 H PHE A 30 5.164 2.878 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 30 5.180 0.306 -4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.569 1.964 -5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.938 0.625 -6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.230 -1.650 -6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.182 1.650 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.512 -3.022 -5.015 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.461 0.284 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.122 -2.056 -3.225 1.00 0.00 H new ATOM 463 N GLN A 31 6.892 0.612 -6.743 1.00 0.00 N ATOM 464 CA GLN A 31 7.792 -0.064 -7.659 1.00 0.00 C ATOM 465 C GLN A 31 9.121 -0.396 -6.982 1.00 0.00 C ATOM 466 O GLN A 31 9.595 -1.531 -7.050 1.00 0.00 O ATOM 467 CB GLN A 31 8.024 0.810 -8.889 1.00 0.00 C ATOM 468 CG GLN A 31 6.742 1.369 -9.482 1.00 0.00 C ATOM 469 CD GLN A 31 6.984 2.151 -10.758 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.910 1.857 -11.512 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.151 3.156 -11.006 1.00 0.00 N ATOM 0 H GLN A 31 6.892 1.629 -6.826 1.00 0.00 H new ATOM 0 HA GLN A 31 7.333 -1.003 -7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.682 1.636 -8.620 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.542 0.225 -9.649 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.053 0.550 -9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.259 2.016 -8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.396 3.365 -10.353 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.267 3.718 -11.849 1.00 0.00 H new ATOM 480 N MET A 32 9.714 0.596 -6.325 1.00 0.00 N ATOM 481 CA MET A 32 10.996 0.403 -5.641 1.00 0.00 C ATOM 482 C MET A 32 10.839 -0.439 -4.384 1.00 0.00 C ATOM 483 O MET A 32 11.728 -1.208 -4.030 1.00 0.00 O ATOM 484 CB MET A 32 11.622 1.739 -5.254 1.00 0.00 C ATOM 485 CG MET A 32 11.252 2.883 -6.174 1.00 0.00 C ATOM 486 SD MET A 32 12.333 4.312 -5.966 1.00 0.00 S ATOM 487 CE MET A 32 11.999 5.220 -7.471 1.00 0.00 C ATOM 0 H MET A 32 9.332 1.539 -6.250 1.00 0.00 H new ATOM 0 HA MET A 32 11.646 -0.117 -6.344 1.00 0.00 H new ATOM 0 HB2 MET A 32 11.317 1.990 -4.238 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.707 1.631 -5.244 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.299 2.543 -7.209 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.221 3.180 -5.983 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.921 5.330 -8.042 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.266 4.678 -8.068 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.606 6.206 -7.222 1.00 0.00 H new ATOM 497 N VAL A 33 9.702 -0.284 -3.716 1.00 0.00 N ATOM 498 CA VAL A 33 9.423 -1.014 -2.483 1.00 0.00 C ATOM 499 C VAL A 33 9.344 -2.513 -2.738 1.00 0.00 C ATOM 500 O VAL A 33 9.589 -3.324 -1.846 1.00 0.00 O ATOM 501 CB VAL A 33 8.100 -0.536 -1.858 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.940 -0.839 -2.782 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.877 -1.189 -0.519 1.00 0.00 C ATOM 0 H VAL A 33 8.954 0.344 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 33 10.243 -0.816 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 33 8.163 0.542 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.012 -0.495 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.089 -0.327 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.883 -1.914 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.937 -0.837 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.836 -2.271 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.696 -0.932 0.152 1.00 0.00 H new ATOM 513 N GLY A 34 9.016 -2.873 -3.966 1.00 0.00 N ATOM 514 CA GLY A 34 8.943 -4.274 -4.333 1.00 0.00 C ATOM 515 C GLY A 34 7.571 -4.895 -4.148 1.00 0.00 C ATOM 516 O GLY A 34 7.462 -6.103 -3.945 1.00 0.00 O ATOM 0 H GLY A 34 8.798 -2.221 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.240 -4.381 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.665 -4.832 -3.737 1.00 0.00 H new ATOM 520 N LEU A 35 6.520 -4.086 -4.217 1.00 0.00 N ATOM 521 CA LEU A 35 5.167 -4.609 -4.076 1.00 0.00 C ATOM 522 C LEU A 35 4.799 -5.398 -5.323 1.00 0.00 C ATOM 523 O LEU A 35 4.050 -6.371 -5.262 1.00 0.00 O ATOM 524 CB LEU A 35 4.162 -3.481 -3.842 1.00 0.00 C ATOM 525 CG LEU A 35 3.932 -3.113 -2.375 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.880 -1.605 -2.205 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.648 -3.746 -1.864 1.00 0.00 C ATOM 0 H LEU A 35 6.577 -3.079 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 35 5.134 -5.266 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.505 -2.593 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.207 -3.768 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 35 4.767 -3.498 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.716 -1.363 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.823 -1.169 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.064 -1.199 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.499 -3.474 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.805 -3.388 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.717 -4.830 -1.951 1.00 0.00 H new ATOM 539 N LYS A 36 5.342 -4.977 -6.459 1.00 0.00 N ATOM 540 CA LYS A 36 5.093 -5.655 -7.716 1.00 0.00 C ATOM 541 C LYS A 36 6.109 -6.784 -7.928 1.00 0.00 C ATOM 542 O LYS A 36 6.188 -7.362 -9.012 1.00 0.00 O ATOM 543 CB LYS A 36 5.191 -4.657 -8.864 1.00 0.00 C ATOM 544 CG LYS A 36 4.348 -3.401 -8.679 1.00 0.00 C ATOM 545 CD LYS A 36 5.200 -2.137 -8.778 1.00 0.00 C ATOM 546 CE LYS A 36 6.134 -2.184 -9.983 1.00 0.00 C ATOM 547 NZ LYS A 36 7.533 -2.530 -9.603 1.00 0.00 N ATOM 0 H LYS A 36 5.958 -4.167 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 36 4.092 -6.085 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.234 -4.365 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.887 -5.152 -9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.564 -3.373 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.853 -3.433 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.551 -1.265 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.786 -2.020 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.763 -2.917 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.125 -1.216 -10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.154 -1.716 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.569 -2.771 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.854 -3.345 -10.164 1.00 0.00 H new ATOM 561 N LYS A 37 6.887 -7.097 -6.882 1.00 0.00 N ATOM 562 CA LYS A 37 7.907 -8.138 -6.955 1.00 0.00 C ATOM 563 C LYS A 37 7.360 -9.402 -7.615 1.00 0.00 C ATOM 564 O LYS A 37 7.519 -9.602 -8.818 1.00 0.00 O ATOM 565 CB LYS A 37 8.418 -8.451 -5.545 1.00 0.00 C ATOM 566 CG LYS A 37 9.321 -9.671 -5.471 1.00 0.00 C ATOM 567 CD LYS A 37 9.633 -10.043 -4.030 1.00 0.00 C ATOM 568 CE LYS A 37 10.665 -11.158 -3.950 1.00 0.00 C ATOM 569 NZ LYS A 37 11.993 -10.724 -4.466 1.00 0.00 N ATOM 0 H LYS A 37 6.824 -6.638 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 37 8.732 -7.775 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.962 -7.586 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.564 -8.604 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.840 -10.512 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.249 -9.472 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.003 -9.166 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.718 -10.357 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.767 -11.485 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.316 -12.017 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.723 -11.396 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.970 -10.697 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.215 -9.776 -4.100 1.00 0.00 H new ATOM 583 N LYS A 38 6.716 -10.252 -6.820 1.00 0.00 N ATOM 584 CA LYS A 38 6.151 -11.493 -7.332 1.00 0.00 C ATOM 585 C LYS A 38 4.801 -11.231 -7.997 1.00 0.00 C ATOM 586 O LYS A 38 4.723 -11.049 -9.212 1.00 0.00 O ATOM 587 CB LYS A 38 5.999 -12.513 -6.202 1.00 0.00 C ATOM 588 CG LYS A 38 7.316 -12.962 -5.597 1.00 0.00 C ATOM 589 CD LYS A 38 7.080 -13.854 -4.391 1.00 0.00 C ATOM 590 CE LYS A 38 7.807 -13.335 -3.161 1.00 0.00 C ATOM 591 NZ LYS A 38 7.461 -14.116 -1.940 1.00 0.00 N ATOM 0 H LYS A 38 6.574 -10.103 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 38 6.831 -11.901 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.378 -12.081 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.469 -13.386 -6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.900 -13.500 -6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.901 -12.091 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.011 -13.913 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.418 -14.866 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.883 -13.381 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.554 -12.286 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.896 -13.670 -1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.428 -14.136 -1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.817 -15.088 -2.037 1.00 0.00 H new ATOM 605 N SER A 39 3.739 -11.215 -7.196 1.00 0.00 N ATOM 606 CA SER A 39 2.398 -10.966 -7.709 1.00 0.00 C ATOM 607 C SER A 39 1.570 -10.193 -6.689 1.00 0.00 C ATOM 608 O SER A 39 2.038 -9.914 -5.586 1.00 0.00 O ATOM 609 CB SER A 39 1.703 -12.284 -8.055 1.00 0.00 C ATOM 610 OG SER A 39 2.425 -12.997 -9.044 1.00 0.00 O ATOM 0 H SER A 39 3.783 -11.372 -6.189 1.00 0.00 H new ATOM 0 HA SER A 39 2.486 -10.367 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.609 -12.895 -7.158 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.693 -12.083 -8.412 1.00 0.00 H new ATOM 0 HG SER A 39 1.961 -13.836 -9.246 1.00 0.00 H new ATOM 616 N ALA A 40 0.343 -9.846 -7.055 1.00 0.00 N ATOM 617 CA ALA A 40 -0.533 -9.114 -6.154 1.00 0.00 C ATOM 618 C ALA A 40 -0.851 -9.954 -4.922 1.00 0.00 C ATOM 619 O ALA A 40 -0.970 -9.430 -3.814 1.00 0.00 O ATOM 620 CB ALA A 40 -1.812 -8.718 -6.874 1.00 0.00 C ATOM 0 H ALA A 40 -0.065 -10.059 -7.965 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.022 -8.208 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.460 -8.171 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.568 -8.085 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.326 -9.614 -7.222 1.00 0.00 H new ATOM 626 N ASP A 41 -0.981 -11.264 -5.121 1.00 0.00 N ATOM 627 CA ASP A 41 -1.277 -12.178 -4.024 1.00 0.00 C ATOM 628 C ASP A 41 -0.309 -11.954 -2.870 1.00 0.00 C ATOM 629 O ASP A 41 -0.683 -12.052 -1.702 1.00 0.00 O ATOM 630 CB ASP A 41 -1.192 -13.629 -4.500 1.00 0.00 C ATOM 631 CG ASP A 41 -2.163 -13.928 -5.627 1.00 0.00 C ATOM 632 OD1 ASP A 41 -3.352 -14.177 -5.336 1.00 0.00 O ATOM 633 OD2 ASP A 41 -1.734 -13.913 -6.801 1.00 0.00 O ATOM 0 H ASP A 41 -0.886 -11.714 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.291 -11.980 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.176 -13.839 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.396 -14.296 -3.662 1.00 0.00 H new ATOM 638 N ASP A 42 0.938 -11.652 -3.210 1.00 0.00 N ATOM 639 CA ASP A 42 1.964 -11.402 -2.208 1.00 0.00 C ATOM 640 C ASP A 42 1.647 -10.135 -1.424 1.00 0.00 C ATOM 641 O ASP A 42 1.640 -10.141 -0.194 1.00 0.00 O ATOM 642 CB ASP A 42 3.338 -11.287 -2.869 1.00 0.00 C ATOM 643 CG ASP A 42 3.795 -12.598 -3.476 1.00 0.00 C ATOM 644 OD1 ASP A 42 4.439 -13.391 -2.758 1.00 0.00 O ATOM 645 OD2 ASP A 42 3.507 -12.833 -4.669 1.00 0.00 O ATOM 0 H ASP A 42 1.263 -11.574 -4.174 1.00 0.00 H new ATOM 0 HA ASP A 42 1.980 -12.243 -1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.303 -10.522 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.068 -10.957 -2.130 1.00 0.00 H new ATOM 650 N VAL A 43 1.382 -9.049 -2.140 1.00 0.00 N ATOM 651 CA VAL A 43 1.058 -7.786 -1.495 1.00 0.00 C ATOM 652 C VAL A 43 -0.225 -7.922 -0.677 1.00 0.00 C ATOM 653 O VAL A 43 -0.353 -7.339 0.397 1.00 0.00 O ATOM 654 CB VAL A 43 0.935 -6.627 -2.517 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.160 -6.584 -3.417 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.330 -6.725 -3.359 1.00 0.00 C ATOM 0 H VAL A 43 1.385 -9.018 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 43 1.881 -7.538 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 43 0.871 -5.702 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.059 -5.765 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.052 -6.429 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.248 -7.527 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.367 -5.890 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.326 -7.663 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.204 -6.693 -2.708 1.00 0.00 H new ATOM 666 N LYS A 44 -1.158 -8.719 -1.188 1.00 0.00 N ATOM 667 CA LYS A 44 -2.434 -8.953 -0.529 1.00 0.00 C ATOM 668 C LYS A 44 -2.239 -9.540 0.867 1.00 0.00 C ATOM 669 O LYS A 44 -3.051 -9.323 1.757 1.00 0.00 O ATOM 670 CB LYS A 44 -3.299 -9.876 -1.384 1.00 0.00 C ATOM 671 CG LYS A 44 -4.568 -10.346 -0.688 1.00 0.00 C ATOM 672 CD LYS A 44 -5.486 -11.100 -1.633 1.00 0.00 C ATOM 673 CE LYS A 44 -5.842 -10.271 -2.856 1.00 0.00 C ATOM 674 NZ LYS A 44 -4.992 -10.615 -4.031 1.00 0.00 N ATOM 0 H LYS A 44 -1.049 -9.220 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.941 -7.995 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.571 -9.356 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.710 -10.747 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.305 -10.989 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.097 -9.486 -0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.002 -12.024 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.398 -11.381 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.890 -10.429 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.727 -9.213 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.380 -9.808 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.403 -11.442 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.599 -10.836 -4.846 1.00 0.00 H new ATOM 688 N LYS A 45 -1.161 -10.291 1.048 1.00 0.00 N ATOM 689 CA LYS A 45 -0.885 -10.923 2.332 1.00 0.00 C ATOM 690 C LYS A 45 -0.827 -9.873 3.424 1.00 0.00 C ATOM 691 O LYS A 45 -1.301 -10.096 4.538 1.00 0.00 O ATOM 692 CB LYS A 45 0.430 -11.705 2.283 1.00 0.00 C ATOM 693 CG LYS A 45 0.248 -13.213 2.361 1.00 0.00 C ATOM 694 CD LYS A 45 -0.631 -13.729 1.234 1.00 0.00 C ATOM 695 CE LYS A 45 -0.702 -15.247 1.236 1.00 0.00 C ATOM 696 NZ LYS A 45 -1.174 -15.780 2.545 1.00 0.00 N ATOM 0 H LYS A 45 -0.466 -10.477 0.325 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.691 -11.623 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.955 -11.459 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.066 -11.382 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.222 -13.700 2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.197 -13.477 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.635 -13.316 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.239 -13.383 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.374 -15.580 0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.283 -15.657 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.387 -16.794 2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.432 -15.647 3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.033 -15.272 2.837 1.00 0.00 H new ATOM 710 N VAL A 46 -0.244 -8.723 3.104 1.00 0.00 N ATOM 711 CA VAL A 46 -0.164 -7.643 4.065 1.00 0.00 C ATOM 712 C VAL A 46 -1.570 -7.272 4.525 1.00 0.00 C ATOM 713 O VAL A 46 -1.762 -6.771 5.632 1.00 0.00 O ATOM 714 CB VAL A 46 0.559 -6.407 3.484 1.00 0.00 C ATOM 715 CG1 VAL A 46 -0.331 -5.649 2.515 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.028 -5.499 4.608 1.00 0.00 C ATOM 0 H VAL A 46 0.174 -8.521 2.196 1.00 0.00 H new ATOM 0 HA VAL A 46 0.424 -7.986 4.917 1.00 0.00 H new ATOM 0 HB VAL A 46 1.429 -6.754 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.208 -4.786 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.612 -6.304 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.229 -5.312 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.536 -4.631 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.169 -5.169 5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.716 -6.045 5.253 1.00 0.00 H new ATOM 726 N PHE A 47 -2.554 -7.526 3.656 1.00 0.00 N ATOM 727 CA PHE A 47 -3.943 -7.228 3.972 1.00 0.00 C ATOM 728 C PHE A 47 -4.311 -7.786 5.338 1.00 0.00 C ATOM 729 O PHE A 47 -5.094 -7.195 6.075 1.00 0.00 O ATOM 730 CB PHE A 47 -4.885 -7.807 2.926 1.00 0.00 C ATOM 731 CG PHE A 47 -6.327 -7.454 3.158 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.704 -6.141 3.389 1.00 0.00 C ATOM 733 CD2 PHE A 47 -7.305 -8.436 3.145 1.00 0.00 C ATOM 734 CE1 PHE A 47 -8.030 -5.815 3.605 1.00 0.00 C ATOM 735 CE2 PHE A 47 -8.632 -8.115 3.361 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.994 -6.803 3.590 1.00 0.00 C ATOM 0 H PHE A 47 -2.409 -7.936 2.733 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.050 -6.143 3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.585 -7.449 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.782 -8.892 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.954 -5.364 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.027 -9.464 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.312 -4.788 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.384 -8.890 3.351 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.030 -6.550 3.757 1.00 0.00 H new ATOM 746 N HIS A 48 -3.759 -8.952 5.650 1.00 0.00 N ATOM 747 CA HIS A 48 -4.004 -9.589 6.934 1.00 0.00 C ATOM 748 C HIS A 48 -3.201 -8.875 8.011 1.00 0.00 C ATOM 749 O HIS A 48 -3.611 -8.799 9.168 1.00 0.00 O ATOM 750 CB HIS A 48 -3.620 -11.071 6.880 1.00 0.00 C ATOM 751 CG HIS A 48 -3.672 -11.755 8.210 1.00 0.00 C ATOM 752 ND1 HIS A 48 -2.872 -12.829 8.537 1.00 0.00 N ATOM 753 CD2 HIS A 48 -4.439 -11.514 9.301 1.00 0.00 C ATOM 754 CE1 HIS A 48 -3.145 -13.221 9.770 1.00 0.00 C ATOM 755 NE2 HIS A 48 -4.091 -12.440 10.253 1.00 0.00 N ATOM 0 H HIS A 48 -3.139 -9.474 5.031 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.066 -9.522 7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.289 -11.586 6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.613 -11.162 6.474 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.184 -10.739 9.403 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.674 -14.041 10.292 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.499 -12.512 11.185 1.00 0.00 H new ATOM 764 N ILE A 49 -2.049 -8.352 7.603 1.00 0.00 N ATOM 765 CA ILE A 49 -1.175 -7.621 8.504 1.00 0.00 C ATOM 766 C ILE A 49 -1.795 -6.281 8.872 1.00 0.00 C ATOM 767 O ILE A 49 -1.931 -5.947 10.049 1.00 0.00 O ATOM 768 CB ILE A 49 0.200 -7.368 7.857 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.762 -8.667 7.276 1.00 0.00 C ATOM 770 CG2 ILE A 49 1.165 -6.776 8.873 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.961 -9.755 8.307 1.00 0.00 C ATOM 0 H ILE A 49 -1.700 -8.424 6.647 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.044 -8.228 9.400 1.00 0.00 H new ATOM 0 HB ILE A 49 0.075 -6.652 7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.087 -9.031 6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.716 -8.456 6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.131 -6.604 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.769 -5.831 9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.287 -7.469 9.705 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.362 -10.646 7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.660 -9.411 9.069 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.005 -9.994 8.773 1.00 0.00 H new ATOM 783 N LEU A 50 -2.170 -5.517 7.851 1.00 0.00 N ATOM 784 CA LEU A 50 -2.775 -4.217 8.046 1.00 0.00 C ATOM 785 C LEU A 50 -4.266 -4.343 8.334 1.00 0.00 C ATOM 786 O LEU A 50 -4.815 -3.600 9.148 1.00 0.00 O ATOM 787 CB LEU A 50 -2.543 -3.375 6.797 1.00 0.00 C ATOM 788 CG LEU A 50 -3.244 -3.871 5.532 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.631 -3.260 5.403 1.00 0.00 C ATOM 790 CD2 LEU A 50 -2.405 -3.543 4.307 1.00 0.00 C ATOM 0 H LEU A 50 -2.061 -5.785 6.873 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.315 -3.734 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.874 -2.356 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.471 -3.330 6.604 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.357 -4.953 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.108 -3.629 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.233 -3.538 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.547 -2.174 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.913 -3.901 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.266 -2.464 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.433 -4.029 4.391 1.00 0.00 H new ATOM 802 N ASP A 51 -4.918 -5.285 7.661 1.00 0.00 N ATOM 803 CA ASP A 51 -6.347 -5.503 7.846 1.00 0.00 C ATOM 804 C ASP A 51 -6.618 -6.841 8.522 1.00 0.00 C ATOM 805 O ASP A 51 -6.839 -7.852 7.855 1.00 0.00 O ATOM 806 CB ASP A 51 -7.069 -5.445 6.505 1.00 0.00 C ATOM 807 CG ASP A 51 -8.235 -4.476 6.518 1.00 0.00 C ATOM 808 OD1 ASP A 51 -7.989 -3.251 6.504 1.00 0.00 O ATOM 809 OD2 ASP A 51 -9.393 -4.941 6.543 1.00 0.00 O ATOM 0 H ASP A 51 -4.480 -5.909 6.983 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.724 -4.710 8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.364 -5.150 5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.430 -6.440 6.246 1.00 0.00 H new ATOM 814 N LYS A 52 -6.598 -6.841 9.850 1.00 0.00 N ATOM 815 CA LYS A 52 -6.846 -8.054 10.617 1.00 0.00 C ATOM 816 C LYS A 52 -8.311 -8.457 10.508 1.00 0.00 C ATOM 817 O LYS A 52 -8.641 -9.643 10.471 1.00 0.00 O ATOM 818 CB LYS A 52 -6.454 -7.855 12.083 1.00 0.00 C ATOM 819 CG LYS A 52 -7.430 -7.002 12.881 1.00 0.00 C ATOM 820 CD LYS A 52 -7.306 -5.526 12.537 1.00 0.00 C ATOM 821 CE LYS A 52 -8.024 -4.654 13.556 1.00 0.00 C ATOM 822 NZ LYS A 52 -7.902 -3.206 13.232 1.00 0.00 N ATOM 0 H LYS A 52 -6.412 -6.014 10.417 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.232 -8.855 10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.368 -8.831 12.560 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.468 -7.393 12.124 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.449 -7.336 12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.248 -7.143 13.946 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.253 -5.248 12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.722 -5.346 11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.078 -4.930 13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.612 -4.840 14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.405 -2.646 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.898 -2.936 13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.318 -3.023 12.297 1.00 0.00 H new ATOM 836 N ASP A 53 -9.184 -7.458 10.456 1.00 0.00 N ATOM 837 CA ASP A 53 -10.615 -7.696 10.337 1.00 0.00 C ATOM 838 C ASP A 53 -10.963 -8.183 8.940 1.00 0.00 C ATOM 839 O ASP A 53 -12.010 -8.800 8.744 1.00 0.00 O ATOM 840 CB ASP A 53 -11.391 -6.418 10.654 1.00 0.00 C ATOM 841 CG ASP A 53 -12.892 -6.641 10.665 1.00 0.00 C ATOM 842 OD1 ASP A 53 -13.518 -6.511 9.592 1.00 0.00 O ATOM 843 OD2 ASP A 53 -13.438 -6.947 11.744 1.00 0.00 O ATOM 0 H ASP A 53 -8.923 -6.473 10.495 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.895 -8.468 11.053 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.076 -6.036 11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.145 -5.654 9.916 1.00 0.00 H new ATOM 848 N LYS A 54 -10.082 -7.920 7.970 1.00 0.00 N ATOM 849 CA LYS A 54 -10.320 -8.337 6.588 1.00 0.00 C ATOM 850 C LYS A 54 -11.770 -8.092 6.202 1.00 0.00 C ATOM 851 O LYS A 54 -12.416 -8.924 5.561 1.00 0.00 O ATOM 852 CB LYS A 54 -9.966 -9.799 6.413 1.00 0.00 C ATOM 853 CG LYS A 54 -8.571 -10.132 6.906 1.00 0.00 C ATOM 854 CD LYS A 54 -8.475 -11.578 7.355 1.00 0.00 C ATOM 855 CE LYS A 54 -7.136 -11.871 8.012 1.00 0.00 C ATOM 856 NZ LYS A 54 -7.062 -13.267 8.521 1.00 0.00 N ATOM 0 H LYS A 54 -9.203 -7.423 8.116 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.684 -7.744 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.691 -10.410 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.046 -10.063 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.848 -9.947 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.309 -9.474 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.281 -11.796 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.612 -12.236 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.334 -11.704 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.976 -11.175 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.066 -13.556 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.512 -13.319 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.556 -13.903 7.863 1.00 0.00 H new ATOM 870 N SER A 55 -12.268 -6.933 6.616 1.00 0.00 N ATOM 871 CA SER A 55 -13.647 -6.544 6.355 1.00 0.00 C ATOM 872 C SER A 55 -13.998 -6.659 4.868 1.00 0.00 C ATOM 873 O SER A 55 -15.173 -6.707 4.505 1.00 0.00 O ATOM 874 CB SER A 55 -13.891 -5.114 6.834 1.00 0.00 C ATOM 875 OG SER A 55 -15.241 -4.733 6.639 1.00 0.00 O ATOM 0 H SER A 55 -11.731 -6.241 7.139 1.00 0.00 H new ATOM 0 HA SER A 55 -14.291 -7.229 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.636 -5.033 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.236 -4.430 6.295 1.00 0.00 H new ATOM 0 HG SER A 55 -15.371 -3.815 6.955 1.00 0.00 H new ATOM 881 N GLY A 56 -12.977 -6.702 4.014 1.00 0.00 N ATOM 882 CA GLY A 56 -13.199 -6.805 2.583 1.00 0.00 C ATOM 883 C GLY A 56 -12.984 -5.483 1.867 1.00 0.00 C ATOM 884 O GLY A 56 -12.881 -5.445 0.642 1.00 0.00 O ATOM 0 H GLY A 56 -11.996 -6.667 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.526 -7.554 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.216 -7.153 2.400 1.00 0.00 H new ATOM 888 N PHE A 57 -12.906 -4.400 2.636 1.00 0.00 N ATOM 889 CA PHE A 57 -12.672 -3.073 2.083 1.00 0.00 C ATOM 890 C PHE A 57 -12.186 -2.129 3.171 1.00 0.00 C ATOM 891 O PHE A 57 -12.806 -2.008 4.228 1.00 0.00 O ATOM 892 CB PHE A 57 -13.937 -2.497 1.433 1.00 0.00 C ATOM 893 CG PHE A 57 -14.505 -3.355 0.339 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.005 -3.275 -0.952 1.00 0.00 C ATOM 895 CD2 PHE A 57 -15.537 -4.240 0.600 1.00 0.00 C ATOM 896 CE1 PHE A 57 -14.526 -4.062 -1.962 1.00 0.00 C ATOM 897 CE2 PHE A 57 -16.062 -5.030 -0.405 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.555 -4.942 -1.687 1.00 0.00 C ATOM 0 H PHE A 57 -13.003 -4.419 3.651 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.908 -3.171 1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.697 -2.356 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.708 -1.512 1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.199 -2.590 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.936 -4.314 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.130 -3.989 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.868 -5.716 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.962 -5.560 -2.473 1.00 0.00 H new ATOM 908 N ILE A 58 -11.076 -1.465 2.906 1.00 0.00 N ATOM 909 CA ILE A 58 -10.509 -0.514 3.848 1.00 0.00 C ATOM 910 C ILE A 58 -10.831 0.879 3.366 1.00 0.00 C ATOM 911 O ILE A 58 -10.828 1.142 2.170 1.00 0.00 O ATOM 912 CB ILE A 58 -8.985 -0.684 4.018 1.00 0.00 C ATOM 913 CG1 ILE A 58 -8.581 -2.150 3.830 1.00 0.00 C ATOM 914 CG2 ILE A 58 -8.559 -0.202 5.397 1.00 0.00 C ATOM 915 CD1 ILE A 58 -7.083 -2.366 3.818 1.00 0.00 C ATOM 0 H ILE A 58 -10.545 -1.567 2.041 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.949 -0.696 4.829 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.483 -0.086 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.020 -2.745 4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.001 -2.517 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.482 -0.325 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.817 0.851 5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.072 -0.786 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.869 -3.426 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.640 -1.798 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.659 -2.030 4.764 1.00 0.00 H new ATOM 927 N GLU A 59 -11.078 1.773 4.298 1.00 0.00 N ATOM 928 CA GLU A 59 -11.490 3.113 3.948 1.00 0.00 C ATOM 929 C GLU A 59 -10.345 4.102 3.980 1.00 0.00 C ATOM 930 O GLU A 59 -9.679 4.298 4.993 1.00 0.00 O ATOM 931 CB GLU A 59 -12.576 3.551 4.912 1.00 0.00 C ATOM 932 CG GLU A 59 -13.985 3.256 4.423 1.00 0.00 C ATOM 933 CD GLU A 59 -15.049 3.803 5.352 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.371 3.123 6.351 1.00 0.00 O ATOM 935 OE2 GLU A 59 -15.562 4.909 5.083 1.00 0.00 O ATOM 0 H GLU A 59 -11.001 1.597 5.300 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.861 3.096 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.422 3.053 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.480 4.622 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.119 3.686 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.113 2.178 4.324 1.00 0.00 H new ATOM 942 N GLU A 60 -10.155 4.726 2.829 1.00 0.00 N ATOM 943 CA GLU A 60 -9.118 5.723 2.606 1.00 0.00 C ATOM 944 C GLU A 60 -8.926 6.627 3.816 1.00 0.00 C ATOM 945 O GLU A 60 -7.818 7.091 4.088 1.00 0.00 O ATOM 946 CB GLU A 60 -9.518 6.567 1.408 1.00 0.00 C ATOM 947 CG GLU A 60 -10.884 7.184 1.605 1.00 0.00 C ATOM 948 CD GLU A 60 -10.823 8.646 2.002 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.710 8.928 3.213 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.888 9.508 1.100 1.00 0.00 O ATOM 0 H GLU A 60 -10.730 4.550 2.005 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.174 5.207 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.780 7.354 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.521 5.950 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.456 7.087 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.421 6.627 2.373 1.00 0.00 H new ATOM 957 N ASP A 61 -10.013 6.883 4.536 1.00 0.00 N ATOM 958 CA ASP A 61 -9.954 7.746 5.704 1.00 0.00 C ATOM 959 C ASP A 61 -9.053 7.136 6.772 1.00 0.00 C ATOM 960 O ASP A 61 -8.147 7.791 7.285 1.00 0.00 O ATOM 961 CB ASP A 61 -11.355 7.979 6.271 1.00 0.00 C ATOM 962 CG ASP A 61 -11.342 8.852 7.509 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.230 8.299 8.622 1.00 0.00 O ATOM 964 OD2 ASP A 61 -11.444 10.089 7.365 1.00 0.00 O ATOM 0 H ASP A 61 -10.939 6.507 4.331 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.537 8.706 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.979 8.445 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.810 7.018 6.512 1.00 0.00 H new ATOM 969 N GLU A 62 -9.310 5.872 7.098 1.00 0.00 N ATOM 970 CA GLU A 62 -8.513 5.165 8.094 1.00 0.00 C ATOM 971 C GLU A 62 -7.306 4.503 7.433 1.00 0.00 C ATOM 972 O GLU A 62 -6.295 4.233 8.082 1.00 0.00 O ATOM 973 CB GLU A 62 -9.361 4.108 8.806 1.00 0.00 C ATOM 974 CG GLU A 62 -10.618 4.668 9.449 1.00 0.00 C ATOM 975 CD GLU A 62 -11.460 3.596 10.114 1.00 0.00 C ATOM 976 OE1 GLU A 62 -12.188 2.881 9.394 1.00 0.00 O ATOM 977 OE2 GLU A 62 -11.390 3.471 11.356 1.00 0.00 O ATOM 0 H GLU A 62 -10.062 5.318 6.688 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.162 5.888 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.643 3.337 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.755 3.625 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.340 5.418 10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.215 5.175 8.691 1.00 0.00 H new ATOM 984 N LEU A 63 -7.427 4.248 6.133 1.00 0.00 N ATOM 985 CA LEU A 63 -6.366 3.624 5.360 1.00 0.00 C ATOM 986 C LEU A 63 -5.033 4.314 5.608 1.00 0.00 C ATOM 987 O LEU A 63 -4.030 3.670 5.915 1.00 0.00 O ATOM 988 CB LEU A 63 -6.730 3.679 3.873 1.00 0.00 C ATOM 989 CG LEU A 63 -6.089 2.617 2.970 1.00 0.00 C ATOM 990 CD1 LEU A 63 -5.948 1.282 3.689 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.923 2.445 1.712 1.00 0.00 C ATOM 0 H LEU A 63 -8.262 4.469 5.590 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.263 2.585 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.813 3.594 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.455 4.662 3.491 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.088 2.958 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.490 0.554 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.320 1.408 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.933 0.927 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.465 1.690 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.930 2.128 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.973 3.393 1.176 1.00 0.00 H new ATOM 1003 N GLY A 64 -5.040 5.630 5.485 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.831 6.403 5.697 1.00 0.00 C ATOM 1005 C GLY A 64 -3.211 6.140 7.053 1.00 0.00 C ATOM 1006 O GLY A 64 -2.001 6.278 7.229 1.00 0.00 O ATOM 0 H GLY A 64 -5.863 6.181 5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.108 6.164 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.060 7.465 5.605 1.00 0.00 H new ATOM 1010 N SER A 65 -4.046 5.762 8.015 1.00 0.00 N ATOM 1011 CA SER A 65 -3.576 5.469 9.361 1.00 0.00 C ATOM 1012 C SER A 65 -2.938 4.088 9.402 1.00 0.00 C ATOM 1013 O SER A 65 -1.770 3.936 9.761 1.00 0.00 O ATOM 1014 CB SER A 65 -4.738 5.529 10.350 1.00 0.00 C ATOM 1015 OG SER A 65 -5.393 6.786 10.294 1.00 0.00 O ATOM 0 H SER A 65 -5.052 5.652 7.886 1.00 0.00 H new ATOM 0 HA SER A 65 -2.832 6.215 9.641 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.450 4.734 10.128 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.369 5.353 11.360 1.00 0.00 H new ATOM 0 HG SER A 65 -6.134 6.798 10.935 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.722 3.085 9.029 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.249 1.708 9.009 1.00 0.00 C ATOM 1023 C ILE A 66 -2.049 1.546 8.074 1.00 0.00 C ATOM 1024 O ILE A 66 -1.297 0.577 8.177 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.369 0.748 8.569 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -3.888 -0.690 8.645 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.834 1.084 7.162 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.566 -1.149 10.051 1.00 0.00 C ATOM 0 H ILE A 66 -4.692 3.201 8.735 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.941 1.459 10.025 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.216 0.865 9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.653 -1.343 8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.999 -0.800 8.024 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.626 0.396 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.213 2.106 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.997 0.992 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.229 -2.185 10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.779 -0.521 10.467 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.458 -1.072 10.672 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.865 2.507 7.167 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.755 2.476 6.221 1.00 0.00 C ATOM 1042 C LEU A 67 0.561 2.206 6.936 1.00 0.00 C ATOM 1043 O LEU A 67 1.504 1.661 6.352 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.690 3.808 5.480 1.00 0.00 C ATOM 1045 CG LEU A 67 -1.129 3.756 4.018 1.00 0.00 C ATOM 1046 CD1 LEU A 67 -0.077 3.083 3.176 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -2.455 3.032 3.866 1.00 0.00 C ATOM 0 H LEU A 67 -2.475 3.319 7.070 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.920 1.668 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.315 4.530 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.333 4.181 5.523 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.259 4.782 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.406 3.054 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.857 3.641 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.080 2.066 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.740 3.012 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.356 2.011 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.222 3.553 4.440 1.00 0.00 H new ATOM 1059 N LYS A 68 0.608 2.568 8.209 1.00 0.00 N ATOM 1060 CA LYS A 68 1.796 2.378 9.014 1.00 0.00 C ATOM 1061 C LYS A 68 2.333 0.956 8.895 1.00 0.00 C ATOM 1062 O LYS A 68 3.497 0.709 9.194 1.00 0.00 O ATOM 1063 CB LYS A 68 1.489 2.710 10.465 1.00 0.00 C ATOM 1064 CG LYS A 68 0.993 4.134 10.656 1.00 0.00 C ATOM 1065 CD LYS A 68 0.195 4.284 11.941 1.00 0.00 C ATOM 1066 CE LYS A 68 -0.328 5.699 12.107 1.00 0.00 C ATOM 1067 NZ LYS A 68 -1.109 5.863 13.364 1.00 0.00 N ATOM 0 H LYS A 68 -0.172 2.998 8.706 1.00 0.00 H new ATOM 0 HA LYS A 68 2.570 3.051 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.737 2.016 10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.387 2.560 11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.843 4.816 10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.372 4.420 9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.641 3.584 11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.823 4.024 12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.509 6.397 12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.956 5.955 11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.447 6.844 13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.923 5.216 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.503 5.644 14.180 1.00 0.00 H new ATOM 1081 N GLY A 69 1.486 0.013 8.470 1.00 0.00 N ATOM 1082 CA GLY A 69 1.938 -1.364 8.299 1.00 0.00 C ATOM 1083 C GLY A 69 3.305 -1.425 7.640 1.00 0.00 C ATOM 1084 O GLY A 69 4.234 -2.031 8.173 1.00 0.00 O ATOM 0 H GLY A 69 0.505 0.176 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.979 -1.857 9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.216 -1.912 7.693 1.00 0.00 H new ATOM 1088 N PHE A 70 3.420 -0.794 6.474 1.00 0.00 N ATOM 1089 CA PHE A 70 4.689 -0.738 5.764 1.00 0.00 C ATOM 1090 C PHE A 70 5.378 0.594 6.053 1.00 0.00 C ATOM 1091 O PHE A 70 6.579 0.657 6.310 1.00 0.00 O ATOM 1092 CB PHE A 70 4.504 -0.926 4.251 1.00 0.00 C ATOM 1093 CG PHE A 70 3.163 -0.514 3.711 1.00 0.00 C ATOM 1094 CD1 PHE A 70 2.033 -1.278 3.958 1.00 0.00 C ATOM 1095 CD2 PHE A 70 3.040 0.628 2.933 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.805 -0.908 3.444 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.815 1.000 2.411 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.696 0.231 2.668 1.00 0.00 C ATOM 0 H PHE A 70 2.651 -0.317 6.004 1.00 0.00 H new ATOM 0 HA PHE A 70 5.313 -1.558 6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.276 -0.356 3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.667 -1.976 4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.113 -2.172 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.911 1.234 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.069 -1.508 3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.733 1.889 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.263 0.519 2.263 1.00 0.00 H new ATOM 1108 N SER A 71 4.569 1.648 6.035 1.00 0.00 N ATOM 1109 CA SER A 71 5.008 3.021 6.267 1.00 0.00 C ATOM 1110 C SER A 71 5.422 3.285 7.717 1.00 0.00 C ATOM 1111 O SER A 71 5.769 4.413 8.058 1.00 0.00 O ATOM 1112 CB SER A 71 3.905 4.000 5.862 1.00 0.00 C ATOM 1113 OG SER A 71 2.713 3.757 6.589 1.00 0.00 O ATOM 0 H SER A 71 3.568 1.571 5.855 1.00 0.00 H new ATOM 0 HA SER A 71 5.894 3.172 5.650 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.240 5.022 6.038 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.708 3.909 4.794 1.00 0.00 H new ATOM 0 HG SER A 71 2.560 2.791 6.652 1.00 0.00 H new ATOM 1119 N SER A 72 5.348 2.278 8.586 1.00 0.00 N ATOM 1120 CA SER A 72 5.733 2.467 9.988 1.00 0.00 C ATOM 1121 C SER A 72 7.077 3.189 10.083 1.00 0.00 C ATOM 1122 O SER A 72 7.361 3.870 11.067 1.00 0.00 O ATOM 1123 CB SER A 72 5.817 1.123 10.716 1.00 0.00 C ATOM 1124 OG SER A 72 6.534 0.171 9.951 1.00 0.00 O ATOM 0 H SER A 72 5.031 1.337 8.352 1.00 0.00 H new ATOM 0 HA SER A 72 4.966 3.077 10.466 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.304 1.259 11.682 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.812 0.751 10.916 1.00 0.00 H new ATOM 0 HG SER A 72 7.299 0.607 9.520 1.00 0.00 H new ATOM 1130 N ASP A 73 7.895 3.031 9.047 1.00 0.00 N ATOM 1131 CA ASP A 73 9.196 3.683 8.987 1.00 0.00 C ATOM 1132 C ASP A 73 9.251 4.659 7.811 1.00 0.00 C ATOM 1133 O ASP A 73 10.323 4.964 7.288 1.00 0.00 O ATOM 1134 CB ASP A 73 10.312 2.643 8.877 1.00 0.00 C ATOM 1135 CG ASP A 73 9.937 1.464 7.998 1.00 0.00 C ATOM 1136 OD1 ASP A 73 8.877 0.851 8.245 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.710 1.146 7.071 1.00 0.00 O ATOM 0 H ASP A 73 7.677 2.454 8.235 1.00 0.00 H new ATOM 0 HA ASP A 73 9.343 4.247 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.207 3.119 8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.564 2.281 9.874 1.00 0.00 H new ATOM 1142 N ALA A 74 8.076 5.146 7.407 1.00 0.00 N ATOM 1143 CA ALA A 74 7.956 6.084 6.303 1.00 0.00 C ATOM 1144 C ALA A 74 7.323 7.399 6.776 1.00 0.00 C ATOM 1145 O ALA A 74 8.032 8.323 7.173 1.00 0.00 O ATOM 1146 CB ALA A 74 7.135 5.462 5.177 1.00 0.00 C ATOM 0 H ALA A 74 7.186 4.898 7.839 1.00 0.00 H new ATOM 0 HA ALA A 74 8.953 6.309 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.050 6.172 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.628 4.556 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.140 5.214 5.546 1.00 0.00 H new ATOM 1152 N ARG A 75 5.990 7.471 6.744 1.00 0.00 N ATOM 1153 CA ARG A 75 5.269 8.667 7.172 1.00 0.00 C ATOM 1154 C ARG A 75 3.779 8.382 7.337 1.00 0.00 C ATOM 1155 O ARG A 75 3.334 8.016 8.424 1.00 0.00 O ATOM 1156 CB ARG A 75 5.475 9.818 6.184 1.00 0.00 C ATOM 1157 CG ARG A 75 6.759 10.600 6.408 1.00 0.00 C ATOM 1158 CD ARG A 75 6.682 11.984 5.781 1.00 0.00 C ATOM 1159 NE ARG A 75 7.828 12.815 6.141 1.00 0.00 N ATOM 1160 CZ ARG A 75 8.117 13.967 5.544 1.00 0.00 C ATOM 1161 NH1 ARG A 75 7.351 14.413 4.557 1.00 0.00 N ATOM 1162 NH2 ARG A 75 9.169 14.675 5.932 1.00 0.00 N ATOM 0 H ARG A 75 5.389 6.711 6.425 1.00 0.00 H new ATOM 0 HA ARG A 75 5.675 8.963 8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.477 9.418 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.628 10.501 6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.948 10.693 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.600 10.052 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.631 11.888 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.763 12.476 6.101 1.00 0.00 H new ATOM 0 HE ARG A 75 8.440 12.494 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.540 13.872 4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.573 15.297 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.760 14.336 6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.387 15.558 5.471 1.00 0.00 H new ATOM 1176 N ASP A 76 3.013 8.533 6.255 1.00 0.00 N ATOM 1177 CA ASP A 76 1.572 8.301 6.303 1.00 0.00 C ATOM 1178 C ASP A 76 0.916 8.608 4.955 1.00 0.00 C ATOM 1179 O ASP A 76 1.592 8.925 3.977 1.00 0.00 O ATOM 1180 CB ASP A 76 0.938 9.171 7.393 1.00 0.00 C ATOM 1181 CG ASP A 76 1.113 10.652 7.125 1.00 0.00 C ATOM 1182 OD1 ASP A 76 0.237 11.242 6.458 1.00 0.00 O ATOM 1183 OD2 ASP A 76 2.126 11.223 7.580 1.00 0.00 O ATOM 0 H ASP A 76 3.366 8.814 5.340 1.00 0.00 H new ATOM 0 HA ASP A 76 1.408 7.248 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.125 8.941 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.384 8.924 8.356 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.409 8.508 4.926 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.195 8.763 3.722 1.00 0.00 C ATOM 1190 C LEU A 77 -2.304 9.769 4.029 1.00 0.00 C ATOM 1191 O LEU A 77 -3.452 9.391 4.256 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.791 7.450 3.225 1.00 0.00 C ATOM 1193 CG LEU A 77 -1.648 7.205 1.726 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -1.263 5.764 1.449 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -2.942 7.538 1.023 1.00 0.00 C ATOM 0 H LEU A 77 -0.970 8.248 5.737 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.554 9.181 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.316 6.627 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.850 7.428 3.482 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.856 7.851 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.167 5.613 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.312 5.542 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.033 5.100 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.831 7.360 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.741 6.909 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.189 8.586 1.193 1.00 0.00 H new ATOM 1207 N SER A 78 -1.945 11.051 4.034 1.00 0.00 N ATOM 1208 CA SER A 78 -2.897 12.114 4.343 1.00 0.00 C ATOM 1209 C SER A 78 -3.898 12.312 3.211 1.00 0.00 C ATOM 1210 O SER A 78 -3.936 11.534 2.261 1.00 0.00 O ATOM 1211 CB SER A 78 -2.151 13.421 4.616 1.00 0.00 C ATOM 1212 OG SER A 78 -1.237 13.272 5.690 1.00 0.00 O ATOM 0 H SER A 78 -1.001 11.378 3.827 1.00 0.00 H new ATOM 0 HA SER A 78 -3.452 11.820 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.615 13.732 3.719 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.866 14.210 4.850 1.00 0.00 H new ATOM 0 HG SER A 78 -0.997 12.327 5.786 1.00 0.00 H new ATOM 1218 N ALA A 79 -4.706 13.364 3.323 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.711 13.680 2.314 1.00 0.00 C ATOM 1220 C ALA A 79 -5.115 13.625 0.915 1.00 0.00 C ATOM 1221 O ALA A 79 -5.676 13.012 0.006 1.00 0.00 O ATOM 1222 CB ALA A 79 -6.278 15.064 2.573 1.00 0.00 C ATOM 0 H ALA A 79 -4.683 14.015 4.108 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.507 12.938 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.028 15.297 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.738 15.090 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.476 15.800 2.527 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.970 14.273 0.761 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.271 14.311 -0.519 1.00 0.00 C ATOM 1230 C LYS A 80 -3.136 12.906 -1.100 1.00 0.00 C ATOM 1231 O LYS A 80 -3.538 12.652 -2.234 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.884 14.930 -0.323 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.229 15.416 -1.609 1.00 0.00 C ATOM 1234 CD LYS A 80 -1.010 14.284 -2.598 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.149 14.733 -3.769 1.00 0.00 C ATOM 1236 NZ LYS A 80 -0.001 13.661 -4.792 1.00 0.00 N ATOM 0 H LYS A 80 -3.501 14.783 1.510 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.847 14.918 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.967 15.769 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.233 14.193 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.854 16.182 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.272 15.883 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.532 13.444 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.972 13.929 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.594 15.615 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.836 15.026 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.535 14.028 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.507 12.854 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.942 13.352 -5.109 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.584 11.997 -0.310 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.404 10.616 -0.741 1.00 0.00 C ATOM 1252 C GLU A 81 -3.725 9.870 -0.706 1.00 0.00 C ATOM 1253 O GLU A 81 -3.934 8.923 -1.457 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.388 9.910 0.156 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.042 10.618 0.228 1.00 0.00 C ATOM 1256 CD GLU A 81 0.909 9.978 1.218 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.261 8.797 1.023 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.298 10.658 2.191 1.00 0.00 O ATOM 0 H GLU A 81 -2.252 12.190 0.635 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.032 10.623 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.800 9.827 1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.236 8.895 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.416 10.617 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.200 11.660 0.505 1.00 0.00 H new ATOM 1265 N THR A 82 -4.617 10.279 0.183 1.00 0.00 N ATOM 1266 CA THR A 82 -5.915 9.640 0.266 1.00 0.00 C ATOM 1267 C THR A 82 -6.601 9.761 -1.086 1.00 0.00 C ATOM 1268 O THR A 82 -7.077 8.779 -1.663 1.00 0.00 O ATOM 1269 CB THR A 82 -6.784 10.312 1.345 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.149 10.200 2.624 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.167 9.689 1.409 1.00 0.00 C ATOM 0 H THR A 82 -4.467 11.039 0.847 1.00 0.00 H new ATOM 0 HA THR A 82 -5.784 8.592 0.535 1.00 0.00 H new ATOM 0 HB THR A 82 -6.894 11.363 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.185 10.345 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.755 10.186 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.663 9.804 0.445 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.078 8.629 1.647 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.618 10.984 -1.588 1.00 0.00 N ATOM 1280 CA LYS A 83 -7.190 11.277 -2.885 1.00 0.00 C ATOM 1281 C LYS A 83 -6.259 10.830 -4.011 1.00 0.00 C ATOM 1282 O LYS A 83 -6.716 10.461 -5.093 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.476 12.774 -3.012 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.338 13.326 -1.888 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.656 12.577 -1.770 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.449 12.636 -3.066 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.736 11.893 -2.967 1.00 0.00 N ATOM 0 H LYS A 83 -6.236 11.798 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.125 10.724 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.530 13.316 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.972 12.961 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.795 13.257 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.535 14.383 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.462 11.537 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.248 13.005 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.650 13.677 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.851 12.219 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.245 11.958 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.544 10.894 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.318 12.307 -2.211 1.00 0.00 H new ATOM 1301 N THR A 84 -4.945 10.868 -3.758 1.00 0.00 N ATOM 1302 CA THR A 84 -3.973 10.525 -4.787 1.00 0.00 C ATOM 1303 C THR A 84 -3.640 9.038 -4.856 1.00 0.00 C ATOM 1304 O THR A 84 -3.831 8.404 -5.895 1.00 0.00 O ATOM 1305 CB THR A 84 -2.661 11.313 -4.590 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.930 12.719 -4.576 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.665 10.998 -5.698 1.00 0.00 C ATOM 0 H THR A 84 -4.540 11.130 -2.859 1.00 0.00 H new ATOM 0 HA THR A 84 -4.451 10.798 -5.728 1.00 0.00 H new ATOM 0 HB THR A 84 -2.227 11.014 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.558 12.925 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.749 11.566 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.437 9.932 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.095 11.270 -6.662 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.150 8.482 -3.759 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.760 7.074 -3.746 1.00 0.00 C ATOM 1317 C LEU A 85 -3.917 6.109 -3.506 1.00 0.00 C ATOM 1318 O LEU A 85 -4.084 5.156 -4.268 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.627 6.834 -2.745 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.264 7.434 -3.135 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.038 7.379 -4.644 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.150 8.865 -2.642 1.00 0.00 C ATOM 0 H LEU A 85 -3.013 8.973 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.402 6.855 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.924 7.246 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.506 5.759 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 85 0.508 6.831 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.934 7.811 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.066 6.342 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.820 7.945 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.820 9.272 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.941 9.468 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.247 8.885 -1.556 1.00 0.00 H new ATOM 1334 N MET A 86 -4.723 6.327 -2.468 1.00 0.00 N ATOM 1335 CA MET A 86 -5.841 5.408 -2.225 1.00 0.00 C ATOM 1336 C MET A 86 -6.752 5.362 -3.445 1.00 0.00 C ATOM 1337 O MET A 86 -7.075 4.288 -3.951 1.00 0.00 O ATOM 1338 CB MET A 86 -6.637 5.790 -0.978 1.00 0.00 C ATOM 1339 CG MET A 86 -5.758 6.045 0.234 1.00 0.00 C ATOM 1340 SD MET A 86 -4.775 4.600 0.691 1.00 0.00 S ATOM 1341 CE MET A 86 -3.435 4.691 -0.493 1.00 0.00 C ATOM 0 H MET A 86 -4.633 7.097 -1.805 1.00 0.00 H new ATOM 0 HA MET A 86 -5.423 4.417 -2.049 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.224 6.684 -1.188 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.343 4.993 -0.746 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.092 6.883 0.026 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.383 6.337 1.078 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.564 4.168 -0.098 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.744 4.226 -1.429 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.180 5.735 -0.674 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.152 6.533 -3.919 1.00 0.00 N ATOM 1352 CA ALA A 87 -7.994 6.629 -5.102 1.00 0.00 C ATOM 1353 C ALA A 87 -7.351 5.883 -6.274 1.00 0.00 C ATOM 1354 O ALA A 87 -8.039 5.433 -7.189 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.234 8.090 -5.444 1.00 0.00 C ATOM 0 H ALA A 87 -6.907 7.431 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.957 6.161 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.865 8.157 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.730 8.583 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.280 8.579 -5.640 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.021 5.756 -6.234 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.277 5.064 -7.281 1.00 0.00 C ATOM 1363 C ALA A 88 -5.424 3.550 -7.149 1.00 0.00 C ATOM 1364 O ALA A 88 -5.962 2.894 -8.040 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.810 5.461 -7.239 1.00 0.00 C ATOM 0 H ALA A 88 -5.439 6.127 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.692 5.361 -8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.268 4.936 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.720 6.537 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.389 5.195 -6.270 1.00 0.00 H new ATOM 1371 N GLY A 89 -4.939 2.989 -6.034 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.053 1.552 -5.813 1.00 0.00 C ATOM 1373 C GLY A 89 -6.455 1.062 -6.122 1.00 0.00 C ATOM 1374 O GLY A 89 -6.653 -0.010 -6.698 1.00 0.00 O ATOM 0 H GLY A 89 -4.473 3.502 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.334 1.026 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.803 1.319 -4.778 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.423 1.887 -5.762 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.830 1.606 -6.004 1.00 0.00 C ATOM 1380 C ASP A 90 -9.253 2.202 -7.344 1.00 0.00 C ATOM 1381 O ASP A 90 -10.345 2.734 -7.474 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.697 2.151 -4.871 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.618 3.660 -4.746 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.706 4.346 -5.786 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.468 4.155 -3.610 1.00 0.00 O ATOM 0 H ASP A 90 -7.255 2.776 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.970 0.526 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.733 1.859 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.386 1.696 -3.930 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.348 2.115 -8.319 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.528 2.649 -9.662 1.00 0.00 C ATOM 1392 C LYS A 91 -9.985 2.682 -10.117 1.00 0.00 C ATOM 1393 O LYS A 91 -10.395 3.601 -10.826 1.00 0.00 O ATOM 1394 CB LYS A 91 -7.715 1.756 -10.579 1.00 0.00 C ATOM 1395 CG LYS A 91 -7.557 2.266 -11.983 1.00 0.00 C ATOM 1396 CD LYS A 91 -8.869 2.226 -12.737 1.00 0.00 C ATOM 1397 CE LYS A 91 -8.680 1.755 -14.170 1.00 0.00 C ATOM 1398 NZ LYS A 91 -9.970 1.686 -14.908 1.00 0.00 N ATOM 0 H LYS A 91 -7.446 1.658 -8.189 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.200 3.688 -9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.725 1.619 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.186 0.773 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.180 3.289 -11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.815 1.665 -12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.563 1.561 -12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.319 3.219 -12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.002 2.433 -14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.209 0.772 -14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.797 1.361 -15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.609 1.020 -14.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.407 2.629 -14.931 1.00 0.00 H new ATOM 1412 N ASP A 92 -10.760 1.694 -9.719 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.174 1.652 -10.093 1.00 0.00 C ATOM 1414 C ASP A 92 -12.896 2.936 -9.660 1.00 0.00 C ATOM 1415 O ASP A 92 -13.977 3.247 -10.160 1.00 0.00 O ATOM 1416 CB ASP A 92 -12.855 0.435 -9.466 1.00 0.00 C ATOM 1417 CG ASP A 92 -12.203 -0.869 -9.883 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -11.260 -1.308 -9.193 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -12.637 -1.451 -10.899 1.00 0.00 O ATOM 0 H ASP A 92 -10.447 0.913 -9.142 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.232 1.573 -11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.823 0.523 -8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.906 0.421 -9.754 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.291 3.673 -8.727 1.00 0.00 N ATOM 1425 CA GLY A 93 -12.864 4.920 -8.252 1.00 0.00 C ATOM 1426 C GLY A 93 -13.805 4.729 -7.082 1.00 0.00 C ATOM 1427 O GLY A 93 -14.871 5.341 -7.027 1.00 0.00 O ATOM 0 H GLY A 93 -11.404 3.422 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.060 5.595 -7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.402 5.401 -9.069 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.408 3.880 -6.144 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.212 3.623 -4.959 1.00 0.00 C ATOM 1433 C ASP A 94 -13.641 4.346 -3.736 1.00 0.00 C ATOM 1434 O ASP A 94 -14.233 4.317 -2.659 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.289 2.119 -4.686 1.00 0.00 C ATOM 1436 CG ASP A 94 -14.881 1.351 -5.852 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.123 1.334 -5.983 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -14.102 0.767 -6.635 1.00 0.00 O ATOM 0 H ASP A 94 -12.533 3.357 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.215 4.006 -5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.290 1.739 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.892 1.944 -3.795 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.486 4.996 -3.912 1.00 0.00 N ATOM 1444 CA GLY A 95 -11.858 5.709 -2.816 1.00 0.00 C ATOM 1445 C GLY A 95 -11.603 4.820 -1.622 1.00 0.00 C ATOM 1446 O GLY A 95 -11.531 5.289 -0.491 1.00 0.00 O ATOM 0 H GLY A 95 -11.979 5.038 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.914 6.135 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.494 6.542 -2.516 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.463 3.531 -1.880 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.204 2.568 -0.820 1.00 0.00 C ATOM 1452 C LYS A 96 -10.467 1.363 -1.379 1.00 0.00 C ATOM 1453 O LYS A 96 -10.760 0.902 -2.482 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.523 2.147 -0.160 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.364 3.336 0.272 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.606 2.912 1.034 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.456 4.119 1.399 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.559 3.759 2.333 1.00 0.00 N ATOM 0 H LYS A 96 -11.524 3.126 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.574 3.031 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.095 1.536 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.308 1.524 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.763 3.996 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.657 3.910 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.191 2.220 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.318 2.378 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.826 4.881 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.876 4.555 0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.474 3.984 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.517 2.742 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.457 4.300 3.215 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.518 0.844 -0.611 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.733 -0.295 -1.056 1.00 0.00 C ATOM 1474 C ILE A 97 -9.117 -1.571 -0.320 1.00 0.00 C ATOM 1475 O ILE A 97 -8.877 -1.710 0.876 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.222 -0.047 -0.868 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.790 1.216 -1.617 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.415 -1.246 -1.345 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.293 1.439 -1.612 1.00 0.00 C ATOM 0 H ILE A 97 -9.276 1.192 0.317 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.951 -0.419 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.030 0.095 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.137 1.153 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.280 2.080 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.352 -1.049 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.700 -2.128 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.614 -1.421 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.059 2.351 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.943 1.534 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.797 0.593 -2.088 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.713 -2.496 -1.056 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.097 -3.770 -0.490 1.00 0.00 C ATOM 1493 C GLY A 98 -9.232 -4.883 -1.035 1.00 0.00 C ATOM 1494 O GLY A 98 -8.470 -4.672 -1.979 1.00 0.00 O ATOM 0 H GLY A 98 -9.939 -2.384 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.007 -3.732 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.144 -3.973 -0.717 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.339 -6.066 -0.454 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.543 -7.202 -0.908 1.00 0.00 C ATOM 1500 C VAL A 99 -8.600 -7.339 -2.433 1.00 0.00 C ATOM 1501 O VAL A 99 -7.667 -7.844 -3.056 1.00 0.00 O ATOM 1502 CB VAL A 99 -9.016 -8.521 -0.262 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.404 -8.896 -0.756 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -8.024 -9.638 -0.541 1.00 0.00 C ATOM 0 H VAL A 99 -9.963 -6.268 0.327 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.515 -7.010 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.070 -8.373 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.717 -9.829 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.108 -8.106 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.383 -9.023 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.375 -10.560 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.934 -9.784 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.051 -9.372 -0.128 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.703 -6.881 -3.022 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.882 -6.951 -4.473 1.00 0.00 C ATOM 1516 C GLU A 100 -9.013 -5.914 -5.171 1.00 0.00 C ATOM 1517 O GLU A 100 -8.216 -6.235 -6.052 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.342 -6.720 -4.889 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.346 -6.816 -3.766 1.00 0.00 C ATOM 1520 CD GLU A 100 -12.322 -8.159 -3.061 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -11.790 -9.127 -3.646 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.837 -8.244 -1.926 1.00 0.00 O ATOM 0 H GLU A 100 -10.484 -6.459 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.587 -7.957 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.423 -5.733 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.606 -7.449 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.147 -6.028 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.345 -6.639 -4.164 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.185 -4.661 -4.758 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.439 -3.545 -5.332 1.00 0.00 C ATOM 1531 C GLU A 101 -6.946 -3.651 -5.041 1.00 0.00 C ATOM 1532 O GLU A 101 -6.123 -3.135 -5.799 1.00 0.00 O ATOM 1533 CB GLU A 101 -8.995 -2.228 -4.800 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.326 -1.849 -5.422 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.329 -2.984 -5.385 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -11.347 -3.791 -6.339 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -12.098 -3.066 -4.404 1.00 0.00 O ATOM 0 H GLU A 101 -9.839 -4.392 -4.023 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.559 -3.579 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.114 -2.301 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.273 -1.433 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.737 -0.988 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.166 -1.544 -6.456 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.593 -4.316 -3.945 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.187 -4.480 -3.580 1.00 0.00 C ATOM 1546 C PHE A 102 -4.400 -5.054 -4.751 1.00 0.00 C ATOM 1547 O PHE A 102 -3.183 -4.888 -4.839 1.00 0.00 O ATOM 1548 CB PHE A 102 -5.045 -5.379 -2.355 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.989 -4.918 -1.400 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -2.673 -5.243 -1.624 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -4.311 -4.162 -0.284 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -1.679 -4.828 -0.760 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -3.326 -3.739 0.589 1.00 0.00 C ATOM 1554 CZ PHE A 102 -2.007 -4.074 0.351 1.00 0.00 C ATOM 0 H PHE A 102 -7.253 -4.747 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.782 -3.499 -3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.001 -5.424 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.812 -6.392 -2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.412 -5.833 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.342 -3.901 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -0.649 -5.092 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.587 -3.148 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.234 -3.748 1.031 1.00 0.00 H new ATOM 1564 N SER A 103 -5.096 -5.752 -5.638 1.00 0.00 N ATOM 1565 CA SER A 103 -4.464 -6.316 -6.818 1.00 0.00 C ATOM 1566 C SER A 103 -4.259 -5.221 -7.857 1.00 0.00 C ATOM 1567 O SER A 103 -3.230 -5.167 -8.531 1.00 0.00 O ATOM 1568 CB SER A 103 -5.321 -7.443 -7.396 1.00 0.00 C ATOM 1569 OG SER A 103 -5.472 -8.499 -6.464 1.00 0.00 O ATOM 0 H SER A 103 -6.096 -5.940 -5.561 1.00 0.00 H new ATOM 0 HA SER A 103 -3.496 -6.732 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.301 -7.054 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.861 -7.822 -8.308 1.00 0.00 H new ATOM 0 HG SER A 103 -6.025 -9.206 -6.857 1.00 0.00 H new ATOM 1575 N THR A 104 -5.248 -4.335 -7.963 1.00 0.00 N ATOM 1576 CA THR A 104 -5.190 -3.231 -8.910 1.00 0.00 C ATOM 1577 C THR A 104 -4.035 -2.289 -8.585 1.00 0.00 C ATOM 1578 O THR A 104 -3.308 -1.858 -9.479 1.00 0.00 O ATOM 1579 CB THR A 104 -6.508 -2.428 -8.934 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.617 -3.315 -9.121 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.492 -1.392 -10.049 1.00 0.00 C ATOM 0 H THR A 104 -6.099 -4.363 -7.402 1.00 0.00 H new ATOM 0 HA THR A 104 -5.031 -3.671 -9.894 1.00 0.00 H new ATOM 0 HB THR A 104 -6.610 -1.911 -7.980 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.450 -2.799 -9.134 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.431 -0.839 -10.045 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.664 -0.701 -9.892 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.369 -1.893 -11.009 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.862 -1.968 -7.299 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.772 -1.076 -6.893 1.00 0.00 C ATOM 1591 C LEU A 105 -1.446 -1.570 -7.460 1.00 0.00 C ATOM 1592 O LEU A 105 -0.508 -0.792 -7.637 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.650 -0.921 -5.362 1.00 0.00 C ATOM 1594 CG LEU A 105 -3.535 -1.803 -4.493 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.914 -1.944 -3.112 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -4.925 -1.200 -4.389 1.00 0.00 C ATOM 0 H LEU A 105 -4.449 -2.304 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.014 -0.093 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.613 -1.110 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.862 0.118 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.618 -2.791 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.549 -2.576 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.927 -2.397 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.821 -0.960 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.552 -1.837 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.859 -0.208 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.363 -1.122 -5.384 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.369 -2.869 -7.745 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.158 -3.449 -8.306 1.00 0.00 C ATOM 1610 C VAL A 106 -0.013 -3.045 -9.766 1.00 0.00 C ATOM 1611 O VAL A 106 1.093 -2.800 -10.250 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.159 -4.985 -8.201 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.139 -5.557 -8.754 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.367 -5.420 -6.758 1.00 0.00 C ATOM 0 H VAL A 106 -2.128 -3.534 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 106 0.684 -3.068 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.985 -5.372 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.122 -6.644 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.244 -5.274 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.981 -5.164 -8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.365 -6.509 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.438 -5.023 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.323 -5.040 -6.398 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.142 -2.976 -10.463 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.154 -2.584 -11.864 1.00 0.00 C ATOM 1626 C ALA A 107 -1.058 -1.069 -11.986 1.00 0.00 C ATOM 1627 O ALA A 107 -0.517 -0.544 -12.958 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.415 -3.094 -12.547 1.00 0.00 C ATOM 0 H ALA A 107 -2.062 -3.188 -10.077 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.291 -3.029 -12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.409 -2.792 -13.594 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.449 -4.182 -12.483 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.291 -2.674 -12.054 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.589 -0.372 -10.985 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.556 1.084 -10.963 1.00 0.00 C ATOM 1636 C GLU A 108 -0.127 1.590 -11.086 1.00 0.00 C ATOM 1637 O GLU A 108 0.254 2.186 -12.093 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.156 1.610 -9.664 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.672 1.568 -9.634 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.303 2.756 -10.336 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.440 3.820 -9.696 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.662 2.620 -11.525 1.00 0.00 O ATOM 0 H GLU A 108 -2.048 -0.795 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.141 1.444 -11.809 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.768 1.024 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.826 2.638 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.016 0.647 -10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.011 1.541 -8.598 1.00 0.00 H new ATOM 1649 N SER A 109 0.660 1.340 -10.042 1.00 0.00 N ATOM 1650 CA SER A 109 2.052 1.765 -10.014 1.00 0.00 C ATOM 1651 C SER A 109 2.805 1.248 -11.236 1.00 0.00 C ATOM 1652 O SER A 109 2.846 1.972 -12.254 1.00 0.00 O ATOM 1653 CB SER A 109 2.730 1.271 -8.735 1.00 0.00 C ATOM 1654 OG SER A 109 4.136 1.253 -8.883 1.00 0.00 O ATOM 1655 OXT SER A 109 3.348 0.127 -11.165 1.00 0.00 O ATOM 0 H SER A 109 0.354 0.844 -9.205 1.00 0.00 H new ATOM 0 HA SER A 109 2.074 2.855 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.457 1.917 -7.901 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.373 0.270 -8.493 1.00 0.00 H new ATOM 0 HG SER A 109 4.510 2.098 -8.558 1.00 0.00 H new