USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 180:sc= 0.464 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 HIS : no HE2:sc= 0.265 K(o=0.73,f=-3.4!) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0.465 USER MOD Set 2.2: A 57 GLN : amide:sc= 0.302 K(o=0.77,f=-0.047) USER MOD Set 3.1: A 8 ASN : amide:sc= 1.43 K(o=3.8,f=-6.4!) USER MOD Set 3.2: A 83 LYS NZ :NH3+ 144:sc= 2.33 (180deg=1.08) USER MOD Set 4.1: A 3 THR OG1 : rot 180:sc= 0.33 USER MOD Set 4.2: A 5 GLN : amide:sc= 0.648 K(o=0.98,f=-0.71) USER MOD Set 5.1: A 2 GLN : amide:sc= 1.9 K(o=3.9,f=1.5) USER MOD Set 5.2: A 14 THR OG1 : rot 179:sc= 0.618 USER MOD Set 5.3: A 79 THR OG1 : rot 23:sc= 1.35 USER MOD Single : A 1 ALA N :NH3+ 151:sc=0.000987 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.847 K(o=0.85,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.639 K(o=0.64,f=-0.37) USER MOD Single : A 20 THR OG1 : rot 89:sc= 0.998 USER MOD Single : A 21 ASN : amide:sc= -0.0598 K(o=-0.06,f=-2.1!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 95:sc= 1.28 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.12) USER MOD Single : A 31 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.25) USER MOD Single : A 45 HIS : no HE2:sc= 0.435 K(o=0.44,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot 75:sc= 0.816 USER MOD Single : A 58 SER OG : rot 151:sc= 1 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 1.34 (180deg=1.22) USER MOD Single : A 66 GLN : amide:sc= 0.661 K(o=0.66,f=-0.16) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 1.23 (180deg=0.72) USER MOD Single : A 76 MET CE :methyl 174:sc= -0.176 (180deg=-0.267) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.600 -7.920 -2.230 1.00 0.00 N ATOM 2 CA ALA A 1 6.938 -6.609 -2.053 1.00 0.00 C ATOM 3 C ALA A 1 7.871 -5.655 -1.304 1.00 0.00 C ATOM 4 O ALA A 1 8.433 -6.018 -0.267 1.00 0.00 O ATOM 5 CB ALA A 1 5.590 -6.740 -1.322 1.00 0.00 C ATOM 0 H1 ALA A 1 6.881 -8.670 -2.267 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.143 -7.918 -3.117 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.242 -8.095 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 1 6.726 -6.202 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.138 -5.754 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.925 -7.383 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.752 -7.176 -0.336 1.00 0.00 H new ATOM 13 N GLN A 2 8.055 -4.437 -1.831 1.00 0.00 N ATOM 14 CA GLN A 2 8.882 -3.404 -1.204 1.00 0.00 C ATOM 15 C GLN A 2 8.368 -3.104 0.210 1.00 0.00 C ATOM 16 O GLN A 2 7.180 -2.826 0.401 1.00 0.00 O ATOM 17 CB GLN A 2 8.980 -2.162 -2.111 1.00 0.00 C ATOM 18 CG GLN A 2 7.653 -1.498 -2.525 1.00 0.00 C ATOM 19 CD GLN A 2 7.855 -0.509 -3.676 1.00 0.00 C ATOM 20 OE1 GLN A 2 7.266 -0.655 -4.745 1.00 0.00 O ATOM 21 NE2 GLN A 2 8.702 0.496 -3.526 1.00 0.00 N ATOM 0 H GLN A 2 7.630 -4.142 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 2 9.904 -3.766 -1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.589 -1.416 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.516 -2.444 -3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.939 -2.265 -2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.222 -0.978 -1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.193 0.621 -2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.864 1.146 -4.295 1.00 0.00 H new ATOM 30 N THR A 3 9.250 -3.218 1.203 1.00 0.00 N ATOM 31 CA THR A 3 8.941 -2.993 2.607 1.00 0.00 C ATOM 32 C THR A 3 8.836 -1.486 2.887 1.00 0.00 C ATOM 33 O THR A 3 9.215 -0.657 2.055 1.00 0.00 O ATOM 34 CB THR A 3 10.030 -3.676 3.465 1.00 0.00 C ATOM 35 OG1 THR A 3 11.326 -3.297 3.026 1.00 0.00 O ATOM 36 CG2 THR A 3 9.915 -5.203 3.383 1.00 0.00 C ATOM 0 H THR A 3 10.224 -3.476 1.044 1.00 0.00 H new ATOM 0 HA THR A 3 7.976 -3.430 2.866 1.00 0.00 H new ATOM 0 HB THR A 3 9.880 -3.354 4.496 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.002 -3.738 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.692 -5.660 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.936 -5.514 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.035 -5.522 2.348 1.00 0.00 H new ATOM 44 N GLU A 4 8.356 -1.130 4.077 1.00 0.00 N ATOM 45 CA GLU A 4 8.382 0.226 4.605 1.00 0.00 C ATOM 46 C GLU A 4 8.838 0.111 6.056 1.00 0.00 C ATOM 47 O GLU A 4 8.577 -0.890 6.730 1.00 0.00 O ATOM 48 CB GLU A 4 7.001 0.898 4.508 1.00 0.00 C ATOM 49 CG GLU A 4 6.752 1.569 3.152 1.00 0.00 C ATOM 50 CD GLU A 4 7.447 2.935 3.018 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.694 3.038 3.114 1.00 0.00 O ATOM 52 OE2 GLU A 4 6.738 3.943 2.799 1.00 0.00 O ATOM 0 H GLU A 4 7.927 -1.799 4.716 1.00 0.00 H new ATOM 0 HA GLU A 4 9.060 0.854 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.227 0.151 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.910 1.644 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.103 0.910 2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.679 1.698 3.009 1.00 0.00 H new ATOM 59 N GLN A 5 9.536 1.140 6.521 1.00 0.00 N ATOM 60 CA GLN A 5 10.257 1.187 7.784 1.00 0.00 C ATOM 61 C GLN A 5 10.084 2.598 8.374 1.00 0.00 C ATOM 62 O GLN A 5 9.610 3.496 7.670 1.00 0.00 O ATOM 63 CB GLN A 5 11.750 0.899 7.497 1.00 0.00 C ATOM 64 CG GLN A 5 12.175 -0.576 7.562 1.00 0.00 C ATOM 65 CD GLN A 5 11.687 -1.495 6.432 1.00 0.00 C ATOM 66 OE1 GLN A 5 11.215 -2.597 6.695 1.00 0.00 O ATOM 67 NE2 GLN A 5 11.834 -1.131 5.164 1.00 0.00 N ATOM 0 H GLN A 5 9.618 2.011 5.997 1.00 0.00 H new ATOM 0 HA GLN A 5 9.880 0.449 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.990 1.282 6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.352 1.462 8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.264 -0.614 7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.824 -0.988 8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.226 -0.217 4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.555 -1.766 4.416 1.00 0.00 H new ATOM 76 N PRO A 6 10.499 2.839 9.632 1.00 0.00 N ATOM 77 CA PRO A 6 10.883 4.176 10.080 1.00 0.00 C ATOM 78 C PRO A 6 11.896 4.822 9.108 1.00 0.00 C ATOM 79 O PRO A 6 12.544 4.098 8.342 1.00 0.00 O ATOM 80 CB PRO A 6 11.493 3.983 11.475 1.00 0.00 C ATOM 81 CG PRO A 6 10.909 2.654 11.953 1.00 0.00 C ATOM 82 CD PRO A 6 10.783 1.852 10.661 1.00 0.00 C ATOM 0 HA PRO A 6 10.027 4.850 10.109 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.582 3.949 11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.225 4.801 12.144 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.563 2.161 12.672 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.943 2.789 12.440 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.702 1.308 10.443 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.984 1.114 10.731 1.00 0.00 H new ATOM 90 N PRO A 7 12.081 6.155 9.144 1.00 0.00 N ATOM 91 CA PRO A 7 13.075 6.844 8.329 1.00 0.00 C ATOM 92 C PRO A 7 14.442 6.152 8.362 1.00 0.00 C ATOM 93 O PRO A 7 14.937 5.788 9.433 1.00 0.00 O ATOM 94 CB PRO A 7 13.129 8.279 8.854 1.00 0.00 C ATOM 95 CG PRO A 7 11.721 8.492 9.405 1.00 0.00 C ATOM 96 CD PRO A 7 11.349 7.115 9.957 1.00 0.00 C ATOM 0 HA PRO A 7 12.795 6.827 7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.888 8.398 9.627 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.365 8.990 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.704 9.255 10.183 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.029 8.814 8.627 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.623 7.027 11.008 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.274 6.944 9.892 1.00 0.00 H new ATOM 104 N ASN A 8 15.048 5.974 7.185 1.00 0.00 N ATOM 105 CA ASN A 8 16.281 5.218 6.990 1.00 0.00 C ATOM 106 C ASN A 8 17.100 5.953 5.934 1.00 0.00 C ATOM 107 O ASN A 8 16.535 6.337 4.910 1.00 0.00 O ATOM 108 CB ASN A 8 15.947 3.787 6.523 1.00 0.00 C ATOM 109 CG ASN A 8 17.204 2.946 6.389 1.00 0.00 C ATOM 110 OD1 ASN A 8 17.809 2.558 7.381 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.645 2.659 5.177 1.00 0.00 N ATOM 0 H ASN A 8 14.680 6.365 6.318 1.00 0.00 H new ATOM 0 HA ASN A 8 16.846 5.141 7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.267 3.319 7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.428 3.826 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.497 2.110 5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.134 2.987 4.357 1.00 0.00 H new ATOM 118 N GLN A 9 18.403 6.164 6.144 1.00 0.00 N ATOM 119 CA GLN A 9 19.278 6.927 5.236 1.00 0.00 C ATOM 120 C GLN A 9 19.555 6.232 3.890 1.00 0.00 C ATOM 121 O GLN A 9 20.409 6.686 3.127 1.00 0.00 O ATOM 122 CB GLN A 9 20.578 7.341 5.946 1.00 0.00 C ATOM 123 CG GLN A 9 21.531 6.180 6.266 1.00 0.00 C ATOM 124 CD GLN A 9 22.785 6.665 6.995 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.022 6.326 8.152 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.615 7.465 6.345 1.00 0.00 N ATOM 0 H GLN A 9 18.892 5.804 6.964 1.00 0.00 H new ATOM 0 HA GLN A 9 18.723 7.828 4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.103 8.063 5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.322 7.850 6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.014 5.443 6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.818 5.679 5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.410 7.741 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.460 7.805 6.804 1.00 0.00 H new ATOM 135 N ILE A 10 18.866 5.132 3.595 1.00 0.00 N ATOM 136 CA ILE A 10 18.926 4.426 2.327 1.00 0.00 C ATOM 137 C ILE A 10 17.468 4.187 1.936 1.00 0.00 C ATOM 138 O ILE A 10 16.637 3.822 2.776 1.00 0.00 O ATOM 139 CB ILE A 10 19.765 3.122 2.424 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.127 3.359 3.122 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.974 2.514 1.024 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.045 2.133 3.183 1.00 0.00 C ATOM 0 H ILE A 10 18.228 4.695 4.261 1.00 0.00 H new ATOM 0 HA ILE A 10 19.441 5.002 1.558 1.00 0.00 H new ATOM 0 HB ILE A 10 19.205 2.417 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.651 4.161 2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.942 3.707 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.563 1.601 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.006 2.281 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.501 3.229 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.973 2.398 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.548 1.333 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.268 1.794 2.171 1.00 0.00 H new ATOM 154 N LEU A 11 17.162 4.387 0.661 1.00 0.00 N ATOM 155 CA LEU A 11 15.836 4.279 0.077 1.00 0.00 C ATOM 156 C LEU A 11 15.909 3.194 -0.990 1.00 0.00 C ATOM 157 O LEU A 11 16.946 3.045 -1.638 1.00 0.00 O ATOM 158 CB LEU A 11 15.436 5.618 -0.575 1.00 0.00 C ATOM 159 CG LEU A 11 15.407 6.845 0.358 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.218 8.129 -0.457 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.297 6.713 1.404 1.00 0.00 C ATOM 0 H LEU A 11 17.870 4.642 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 11 15.095 4.036 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.130 5.823 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.448 5.501 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 11 16.362 6.896 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.199 8.987 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.043 8.238 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.277 8.077 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.299 7.592 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.332 6.633 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.469 5.821 2.006 1.00 0.00 H new ATOM 173 N PHE A 12 14.806 2.482 -1.199 1.00 0.00 N ATOM 174 CA PHE A 12 14.623 1.556 -2.306 1.00 0.00 C ATOM 175 C PHE A 12 13.521 2.151 -3.166 1.00 0.00 C ATOM 176 O PHE A 12 12.538 2.677 -2.635 1.00 0.00 O ATOM 177 CB PHE A 12 14.246 0.161 -1.799 1.00 0.00 C ATOM 178 CG PHE A 12 13.943 -0.815 -2.922 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.970 -1.225 -3.792 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.632 -1.286 -3.132 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.705 -2.125 -4.837 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.371 -2.203 -4.166 1.00 0.00 C ATOM 183 CZ PHE A 12 13.405 -2.624 -5.020 1.00 0.00 C ATOM 0 H PHE A 12 13.994 2.536 -0.585 1.00 0.00 H new ATOM 0 HA PHE A 12 15.542 1.429 -2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.062 -0.232 -1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.375 0.240 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.971 -0.844 -3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.827 -0.943 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.500 -2.433 -5.499 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.371 -2.586 -4.305 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.201 -3.328 -5.813 1.00 0.00 H new ATOM 193 N LEU A 13 13.693 2.106 -4.482 1.00 0.00 N ATOM 194 CA LEU A 13 12.866 2.809 -5.442 1.00 0.00 C ATOM 195 C LEU A 13 12.409 1.842 -6.523 1.00 0.00 C ATOM 196 O LEU A 13 13.155 0.933 -6.897 1.00 0.00 O ATOM 197 CB LEU A 13 13.674 3.934 -6.105 1.00 0.00 C ATOM 198 CG LEU A 13 13.748 5.256 -5.329 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.631 5.189 -4.078 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.307 6.328 -6.266 1.00 0.00 C ATOM 0 H LEU A 13 14.436 1.561 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 13 12.005 3.229 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.690 3.576 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.243 4.135 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 13 12.739 5.487 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.634 6.160 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.239 4.435 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.649 4.925 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.369 7.278 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.301 6.035 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.649 6.436 -7.129 1.00 0.00 H new ATOM 212 N THR A 14 11.220 2.093 -7.065 1.00 0.00 N ATOM 213 CA THR A 14 10.553 1.256 -8.059 1.00 0.00 C ATOM 214 C THR A 14 9.779 2.130 -9.064 1.00 0.00 C ATOM 215 O THR A 14 9.703 3.355 -8.914 1.00 0.00 O ATOM 216 CB THR A 14 9.635 0.244 -7.335 1.00 0.00 C ATOM 217 OG1 THR A 14 8.791 0.902 -6.415 1.00 0.00 O ATOM 218 CG2 THR A 14 10.406 -0.807 -6.535 1.00 0.00 C ATOM 0 H THR A 14 10.673 2.917 -6.814 1.00 0.00 H new ATOM 0 HA THR A 14 11.291 0.695 -8.632 1.00 0.00 H new ATOM 0 HB THR A 14 9.072 -0.244 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.202 0.247 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.702 -1.485 -6.052 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.053 -1.372 -7.206 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.013 -0.313 -5.776 1.00 0.00 H new ATOM 226 N ASN A 15 9.186 1.493 -10.085 1.00 0.00 N ATOM 227 CA ASN A 15 8.430 2.116 -11.180 1.00 0.00 C ATOM 228 C ASN A 15 9.225 3.202 -11.923 1.00 0.00 C ATOM 229 O ASN A 15 8.670 4.185 -12.418 1.00 0.00 O ATOM 230 CB ASN A 15 7.059 2.602 -10.683 1.00 0.00 C ATOM 231 CG ASN A 15 6.115 2.936 -11.837 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.889 2.119 -12.725 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.518 4.116 -11.837 1.00 0.00 N ATOM 0 H ASN A 15 9.223 0.477 -10.173 1.00 0.00 H new ATOM 0 HA ASN A 15 8.251 1.347 -11.932 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.607 1.833 -10.057 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.193 3.485 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.862 4.356 -12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.714 4.787 -11.094 1.00 0.00 H new ATOM 240 N LEU A 16 10.548 3.043 -11.970 1.00 0.00 N ATOM 241 CA LEU A 16 11.457 3.929 -12.688 1.00 0.00 C ATOM 242 C LEU A 16 11.402 3.593 -14.190 1.00 0.00 C ATOM 243 O LEU A 16 10.900 2.521 -14.546 1.00 0.00 O ATOM 244 CB LEU A 16 12.889 3.767 -12.135 1.00 0.00 C ATOM 245 CG LEU A 16 13.014 3.705 -10.601 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.473 3.485 -10.219 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.491 4.970 -9.918 1.00 0.00 C ATOM 0 H LEU A 16 11.026 2.276 -11.498 1.00 0.00 H new ATOM 0 HA LEU A 16 11.157 4.968 -12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.318 2.856 -12.552 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.494 4.599 -12.496 1.00 0.00 H new ATOM 0 HG LEU A 16 12.399 2.873 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.562 3.441 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.825 2.548 -10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.077 4.309 -10.600 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.603 4.873 -8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.059 5.833 -10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.438 5.107 -10.163 1.00 0.00 H new ATOM 259 N PRO A 17 11.901 4.469 -15.082 1.00 0.00 N ATOM 260 CA PRO A 17 12.090 4.146 -16.489 1.00 0.00 C ATOM 261 C PRO A 17 12.831 2.814 -16.666 1.00 0.00 C ATOM 262 O PRO A 17 13.741 2.482 -15.902 1.00 0.00 O ATOM 263 CB PRO A 17 12.881 5.308 -17.096 1.00 0.00 C ATOM 264 CG PRO A 17 12.614 6.481 -16.159 1.00 0.00 C ATOM 265 CD PRO A 17 12.263 5.850 -14.814 1.00 0.00 C ATOM 0 HA PRO A 17 11.130 4.022 -16.991 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.945 5.078 -17.151 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.549 5.527 -18.111 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.490 7.125 -16.075 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.797 7.101 -16.528 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.110 5.902 -14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.437 6.382 -14.341 1.00 0.00 H new ATOM 273 N GLU A 18 12.539 2.093 -17.748 1.00 0.00 N ATOM 274 CA GLU A 18 13.278 0.884 -18.128 1.00 0.00 C ATOM 275 C GLU A 18 14.691 1.218 -18.640 1.00 0.00 C ATOM 276 O GLU A 18 15.441 0.324 -19.035 1.00 0.00 O ATOM 277 CB GLU A 18 12.476 0.087 -19.173 1.00 0.00 C ATOM 278 CG GLU A 18 11.149 -0.442 -18.608 1.00 0.00 C ATOM 279 CD GLU A 18 10.410 -1.316 -19.636 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.633 -0.779 -20.459 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.582 -2.557 -19.626 1.00 0.00 O ATOM 0 H GLU A 18 11.782 2.329 -18.389 1.00 0.00 H new ATOM 0 HA GLU A 18 13.404 0.266 -17.239 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.274 0.723 -20.035 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.077 -0.750 -19.528 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.342 -1.023 -17.706 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.515 0.396 -18.318 1.00 0.00 H new ATOM 288 N GLU A 19 15.067 2.500 -18.622 1.00 0.00 N ATOM 289 CA GLU A 19 16.283 3.053 -19.179 1.00 0.00 C ATOM 290 C GLU A 19 16.986 3.978 -18.166 1.00 0.00 C ATOM 291 O GLU A 19 17.874 4.745 -18.545 1.00 0.00 O ATOM 292 CB GLU A 19 15.958 3.793 -20.494 1.00 0.00 C ATOM 293 CG GLU A 19 15.130 2.966 -21.492 1.00 0.00 C ATOM 294 CD GLU A 19 15.009 3.678 -22.850 1.00 0.00 C ATOM 295 OE1 GLU A 19 14.080 4.497 -23.037 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.832 3.415 -23.758 1.00 0.00 O ATOM 0 H GLU A 19 14.486 3.217 -18.188 1.00 0.00 H new ATOM 0 HA GLU A 19 16.975 2.241 -19.400 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.415 4.708 -20.259 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.892 4.090 -20.971 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.595 1.990 -21.632 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.135 2.789 -21.083 1.00 0.00 H new ATOM 303 N THR A 20 16.574 3.949 -16.891 1.00 0.00 N ATOM 304 CA THR A 20 17.155 4.772 -15.833 1.00 0.00 C ATOM 305 C THR A 20 18.650 4.457 -15.702 1.00 0.00 C ATOM 306 O THR A 20 19.080 3.318 -15.910 1.00 0.00 O ATOM 307 CB THR A 20 16.405 4.554 -14.507 1.00 0.00 C ATOM 308 OG1 THR A 20 15.022 4.529 -14.733 1.00 0.00 O ATOM 309 CG2 THR A 20 16.613 5.701 -13.514 1.00 0.00 C ATOM 0 H THR A 20 15.819 3.345 -16.567 1.00 0.00 H new ATOM 0 HA THR A 20 17.051 5.826 -16.091 1.00 0.00 H new ATOM 0 HB THR A 20 16.795 3.618 -14.106 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.739 3.611 -14.929 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.061 5.493 -12.597 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.674 5.796 -13.285 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.252 6.631 -13.952 1.00 0.00 H new ATOM 317 N ASN A 21 19.441 5.464 -15.332 1.00 0.00 N ATOM 318 CA ASN A 21 20.883 5.352 -15.175 1.00 0.00 C ATOM 319 C ASN A 21 21.285 6.086 -13.898 1.00 0.00 C ATOM 320 O ASN A 21 20.547 6.953 -13.428 1.00 0.00 O ATOM 321 CB ASN A 21 21.582 5.947 -16.412 1.00 0.00 C ATOM 322 CG ASN A 21 23.104 5.837 -16.343 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.649 4.865 -15.826 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.824 6.839 -16.819 1.00 0.00 N ATOM 0 H ASN A 21 19.085 6.398 -15.130 1.00 0.00 H new ATOM 0 HA ASN A 21 21.186 4.308 -15.093 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.226 5.435 -17.306 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.302 6.996 -16.512 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.842 6.809 -16.759 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.362 7.641 -17.246 1.00 0.00 H new ATOM 331 N GLU A 22 22.465 5.770 -13.363 1.00 0.00 N ATOM 332 CA GLU A 22 23.033 6.359 -12.152 1.00 0.00 C ATOM 333 C GLU A 22 22.977 7.887 -12.207 1.00 0.00 C ATOM 334 O GLU A 22 22.580 8.536 -11.239 1.00 0.00 O ATOM 335 CB GLU A 22 24.475 5.837 -12.016 1.00 0.00 C ATOM 336 CG GLU A 22 25.173 6.246 -10.712 1.00 0.00 C ATOM 337 CD GLU A 22 26.651 5.815 -10.711 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.951 4.642 -10.393 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.533 6.648 -11.020 1.00 0.00 O ATOM 0 H GLU A 22 23.076 5.067 -13.780 1.00 0.00 H new ATOM 0 HA GLU A 22 22.455 6.069 -11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.463 4.749 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 22 25.062 6.202 -12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 22 25.107 7.327 -10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.659 5.793 -9.864 1.00 0.00 H new ATOM 346 N MET A 23 23.317 8.455 -13.367 1.00 0.00 N ATOM 347 CA MET A 23 23.375 9.899 -13.566 1.00 0.00 C ATOM 348 C MET A 23 22.005 10.553 -13.386 1.00 0.00 C ATOM 349 O MET A 23 21.931 11.658 -12.853 1.00 0.00 O ATOM 350 CB MET A 23 23.930 10.219 -14.963 1.00 0.00 C ATOM 351 CG MET A 23 25.383 9.762 -15.133 1.00 0.00 C ATOM 352 SD MET A 23 26.069 10.094 -16.779 1.00 0.00 S ATOM 353 CE MET A 23 27.742 9.433 -16.548 1.00 0.00 C ATOM 0 H MET A 23 23.561 7.918 -14.199 1.00 0.00 H new ATOM 0 HA MET A 23 24.041 10.309 -12.807 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.309 9.735 -15.717 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.867 11.293 -15.139 1.00 0.00 H new ATOM 0 HG2 MET A 23 26.000 10.260 -14.385 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.443 8.692 -14.934 1.00 0.00 H new ATOM 0 HE1 MET A 23 28.312 9.554 -17.469 1.00 0.00 H new ATOM 0 HE2 MET A 23 28.238 9.972 -15.741 1.00 0.00 H new ATOM 0 HE3 MET A 23 27.683 8.374 -16.295 1.00 0.00 H new ATOM 363 N MET A 24 20.925 9.881 -13.801 1.00 0.00 N ATOM 364 CA MET A 24 19.575 10.441 -13.751 1.00 0.00 C ATOM 365 C MET A 24 19.167 10.650 -12.304 1.00 0.00 C ATOM 366 O MET A 24 18.808 11.756 -11.899 1.00 0.00 O ATOM 367 CB MET A 24 18.556 9.527 -14.458 1.00 0.00 C ATOM 368 CG MET A 24 18.784 9.527 -15.969 1.00 0.00 C ATOM 369 SD MET A 24 17.894 8.256 -16.909 1.00 0.00 S ATOM 370 CE MET A 24 16.173 8.741 -16.612 1.00 0.00 C ATOM 0 H MET A 24 20.965 8.935 -14.180 1.00 0.00 H new ATOM 0 HA MET A 24 19.583 11.397 -14.275 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.643 8.511 -14.073 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.543 9.865 -14.238 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.500 10.504 -16.359 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.851 9.407 -16.155 1.00 0.00 H new ATOM 0 HE1 MET A 24 15.506 8.050 -17.128 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.967 8.713 -15.542 1.00 0.00 H new ATOM 0 HE3 MET A 24 16.010 9.751 -16.987 1.00 0.00 H new ATOM 380 N LEU A 25 19.253 9.589 -11.505 1.00 0.00 N ATOM 381 CA LEU A 25 18.799 9.677 -10.127 1.00 0.00 C ATOM 382 C LEU A 25 19.767 10.518 -9.306 1.00 0.00 C ATOM 383 O LEU A 25 19.321 11.223 -8.405 1.00 0.00 O ATOM 384 CB LEU A 25 18.652 8.300 -9.475 1.00 0.00 C ATOM 385 CG LEU A 25 17.639 7.348 -10.122 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.288 6.276 -9.087 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.374 8.066 -10.614 1.00 0.00 C ATOM 0 H LEU A 25 19.624 8.680 -11.782 1.00 0.00 H new ATOM 0 HA LEU A 25 17.816 10.148 -10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.628 7.814 -9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.369 8.443 -8.432 1.00 0.00 H new ATOM 0 HG LEU A 25 18.088 6.904 -11.011 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.567 5.579 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.191 5.735 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.856 6.749 -8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.695 7.341 -11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.881 8.553 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.647 8.815 -11.357 1.00 0.00 H new ATOM 399 N SER A 26 21.067 10.486 -9.621 1.00 0.00 N ATOM 400 CA SER A 26 22.029 11.333 -8.936 1.00 0.00 C ATOM 401 C SER A 26 21.680 12.797 -9.187 1.00 0.00 C ATOM 402 O SER A 26 21.601 13.571 -8.239 1.00 0.00 O ATOM 403 CB SER A 26 23.460 11.012 -9.379 1.00 0.00 C ATOM 404 OG SER A 26 23.759 9.652 -9.135 1.00 0.00 O ATOM 0 H SER A 26 21.467 9.885 -10.341 1.00 0.00 H new ATOM 0 HA SER A 26 21.979 11.139 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.577 11.232 -10.440 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.165 11.648 -8.843 1.00 0.00 H new ATOM 0 HG SER A 26 23.594 9.130 -9.948 1.00 0.00 H new ATOM 410 N MET A 27 21.386 13.168 -10.435 1.00 0.00 N ATOM 411 CA MET A 27 20.964 14.517 -10.780 1.00 0.00 C ATOM 412 C MET A 27 19.692 14.897 -10.013 1.00 0.00 C ATOM 413 O MET A 27 19.618 16.009 -9.489 1.00 0.00 O ATOM 414 CB MET A 27 20.778 14.612 -12.303 1.00 0.00 C ATOM 415 CG MET A 27 20.303 15.996 -12.740 1.00 0.00 C ATOM 416 SD MET A 27 20.146 16.192 -14.536 1.00 0.00 S ATOM 417 CE MET A 27 19.446 17.864 -14.580 1.00 0.00 C ATOM 0 H MET A 27 21.436 12.535 -11.234 1.00 0.00 H new ATOM 0 HA MET A 27 21.731 15.234 -10.486 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.721 14.380 -12.798 1.00 0.00 H new ATOM 0 HB3 MET A 27 20.056 13.863 -12.627 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.337 16.200 -12.277 1.00 0.00 H new ATOM 0 HG3 MET A 27 21.001 16.744 -12.363 1.00 0.00 H new ATOM 0 HE1 MET A 27 19.279 18.161 -15.615 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.499 17.876 -14.041 1.00 0.00 H new ATOM 0 HE3 MET A 27 20.140 18.561 -14.110 1.00 0.00 H new ATOM 427 N LEU A 28 18.704 13.997 -9.925 1.00 0.00 N ATOM 428 CA LEU A 28 17.442 14.303 -9.256 1.00 0.00 C ATOM 429 C LEU A 28 17.636 14.491 -7.756 1.00 0.00 C ATOM 430 O LEU A 28 17.212 15.511 -7.211 1.00 0.00 O ATOM 431 CB LEU A 28 16.382 13.220 -9.532 1.00 0.00 C ATOM 432 CG LEU A 28 15.847 13.216 -10.977 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.895 12.030 -11.172 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.116 14.514 -11.342 1.00 0.00 C ATOM 0 H LEU A 28 18.758 13.054 -10.309 1.00 0.00 H new ATOM 0 HA LEU A 28 17.081 15.244 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.811 12.242 -9.312 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.546 13.362 -8.847 1.00 0.00 H new ATOM 0 HG LEU A 28 16.711 13.129 -11.636 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.518 12.030 -12.195 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.430 11.099 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.059 12.116 -10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.761 14.455 -12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.267 14.654 -10.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.800 15.357 -11.242 1.00 0.00 H new ATOM 446 N PHE A 29 18.262 13.531 -7.080 1.00 0.00 N ATOM 447 CA PHE A 29 18.337 13.557 -5.623 1.00 0.00 C ATOM 448 C PHE A 29 19.445 14.479 -5.100 1.00 0.00 C ATOM 449 O PHE A 29 19.309 14.999 -3.993 1.00 0.00 O ATOM 450 CB PHE A 29 18.507 12.138 -5.074 1.00 0.00 C ATOM 451 CG PHE A 29 17.226 11.329 -5.027 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.777 10.612 -6.152 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.482 11.289 -3.834 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.586 9.873 -6.081 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.290 10.550 -3.761 1.00 0.00 C ATOM 456 CZ PHE A 29 14.839 9.849 -4.890 1.00 0.00 C ATOM 0 H PHE A 29 18.722 12.731 -7.515 1.00 0.00 H new ATOM 0 HA PHE A 29 17.395 13.971 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.235 11.608 -5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.922 12.198 -4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.348 10.631 -7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.830 11.831 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.242 9.321 -6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.724 10.521 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.916 9.290 -4.844 1.00 0.00 H new ATOM 466 N ASN A 30 20.519 14.741 -5.856 1.00 0.00 N ATOM 467 CA ASN A 30 21.608 15.613 -5.395 1.00 0.00 C ATOM 468 C ASN A 30 21.155 17.069 -5.186 1.00 0.00 C ATOM 469 O ASN A 30 21.875 17.862 -4.581 1.00 0.00 O ATOM 470 CB ASN A 30 22.815 15.540 -6.335 1.00 0.00 C ATOM 471 CG ASN A 30 24.002 16.367 -5.841 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.505 16.160 -4.741 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.491 17.301 -6.643 1.00 0.00 N ATOM 0 H ASN A 30 20.657 14.361 -6.792 1.00 0.00 H new ATOM 0 HA ASN A 30 21.913 15.237 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.123 14.500 -6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.521 15.890 -7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.294 17.857 -6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.065 17.464 -7.555 1.00 0.00 H new ATOM 480 N GLN A 31 19.955 17.430 -5.658 1.00 0.00 N ATOM 481 CA GLN A 31 19.325 18.708 -5.357 1.00 0.00 C ATOM 482 C GLN A 31 19.178 18.925 -3.842 1.00 0.00 C ATOM 483 O GLN A 31 19.206 20.073 -3.391 1.00 0.00 O ATOM 484 CB GLN A 31 17.945 18.789 -6.034 1.00 0.00 C ATOM 485 CG GLN A 31 18.030 18.784 -7.568 1.00 0.00 C ATOM 486 CD GLN A 31 16.643 18.889 -8.203 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.239 19.943 -8.692 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.879 17.809 -8.201 1.00 0.00 N ATOM 0 H GLN A 31 19.394 16.832 -6.265 1.00 0.00 H new ATOM 0 HA GLN A 31 19.970 19.496 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.335 17.947 -5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.438 19.696 -5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.649 19.616 -7.902 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.518 17.869 -7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.225 16.941 -7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.944 17.845 -8.608 1.00 0.00 H new ATOM 497 N PHE A 32 19.024 17.855 -3.053 1.00 0.00 N ATOM 498 CA PHE A 32 18.867 17.950 -1.605 1.00 0.00 C ATOM 499 C PHE A 32 20.256 17.931 -0.950 1.00 0.00 C ATOM 500 O PHE A 32 21.092 17.116 -1.353 1.00 0.00 O ATOM 501 CB PHE A 32 17.991 16.793 -1.097 1.00 0.00 C ATOM 502 CG PHE A 32 16.701 16.632 -1.888 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.745 17.667 -1.921 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.501 15.485 -2.679 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.626 17.567 -2.768 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.383 15.381 -3.517 1.00 0.00 C ATOM 507 CZ PHE A 32 14.456 16.430 -3.579 1.00 0.00 C ATOM 0 H PHE A 32 19.005 16.898 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 32 18.370 18.883 -1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.560 15.865 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.749 16.962 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.872 18.538 -1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.217 14.677 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.897 18.363 -2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.236 14.493 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.611 16.366 -4.249 1.00 0.00 H new ATOM 517 N PRO A 33 20.516 18.761 0.080 1.00 0.00 N ATOM 518 CA PRO A 33 21.835 18.934 0.702 1.00 0.00 C ATOM 519 C PRO A 33 22.234 17.761 1.627 1.00 0.00 C ATOM 520 O PRO A 33 22.887 17.955 2.656 1.00 0.00 O ATOM 521 CB PRO A 33 21.744 20.288 1.422 1.00 0.00 C ATOM 522 CG PRO A 33 20.281 20.357 1.846 1.00 0.00 C ATOM 523 CD PRO A 33 19.567 19.699 0.667 1.00 0.00 C ATOM 0 HA PRO A 33 22.637 18.928 -0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.415 20.334 2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.012 21.114 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.103 19.822 2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 33 19.950 21.384 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.666 19.183 0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.256 20.445 -0.064 1.00 0.00 H new ATOM 531 N GLY A 34 21.842 16.534 1.274 1.00 0.00 N ATOM 532 CA GLY A 34 22.114 15.324 2.033 1.00 0.00 C ATOM 533 C GLY A 34 22.375 14.103 1.162 1.00 0.00 C ATOM 534 O GLY A 34 22.729 13.065 1.716 1.00 0.00 O ATOM 0 H GLY A 34 21.309 16.356 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 34 22.979 15.494 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.267 15.118 2.688 1.00 0.00 H new ATOM 538 N PHE A 35 22.216 14.187 -0.162 1.00 0.00 N ATOM 539 CA PHE A 35 22.497 13.099 -1.076 1.00 0.00 C ATOM 540 C PHE A 35 23.931 12.597 -0.913 1.00 0.00 C ATOM 541 O PHE A 35 24.850 13.371 -0.622 1.00 0.00 O ATOM 542 CB PHE A 35 22.278 13.640 -2.485 1.00 0.00 C ATOM 543 CG PHE A 35 22.706 12.718 -3.606 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.819 11.742 -4.085 1.00 0.00 C ATOM 545 CD2 PHE A 35 23.989 12.840 -4.175 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.200 10.904 -5.140 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.374 11.993 -5.227 1.00 0.00 C ATOM 548 CZ PHE A 35 23.477 11.027 -5.708 1.00 0.00 C ATOM 0 H PHE A 35 21.882 15.031 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 35 21.842 12.252 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.219 13.868 -2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.820 14.581 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.841 11.637 -3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.676 13.585 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.511 10.163 -5.517 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.357 12.085 -5.664 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.771 10.376 -6.518 1.00 0.00 H new ATOM 558 N LYS A 36 24.116 11.306 -1.182 1.00 0.00 N ATOM 559 CA LYS A 36 25.422 10.654 -1.208 1.00 0.00 C ATOM 560 C LYS A 36 25.583 9.865 -2.500 1.00 0.00 C ATOM 561 O LYS A 36 26.560 10.108 -3.211 1.00 0.00 O ATOM 562 CB LYS A 36 25.608 9.730 0.010 1.00 0.00 C ATOM 563 CG LYS A 36 25.557 10.441 1.373 1.00 0.00 C ATOM 564 CD LYS A 36 26.733 11.377 1.676 1.00 0.00 C ATOM 565 CE LYS A 36 28.050 10.598 1.691 1.00 0.00 C ATOM 566 NZ LYS A 36 29.212 11.452 2.042 1.00 0.00 N ATOM 0 H LYS A 36 23.345 10.672 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 36 26.190 11.426 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.835 8.962 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.567 9.219 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 36 24.634 11.018 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.507 9.684 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.779 12.166 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.580 11.862 2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.976 9.779 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.215 10.151 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 30.079 10.877 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 29.302 12.219 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 29.070 11.859 2.989 1.00 0.00 H new ATOM 580 N GLU A 37 24.677 8.932 -2.814 1.00 0.00 N ATOM 581 CA GLU A 37 24.888 8.025 -3.953 1.00 0.00 C ATOM 582 C GLU A 37 23.580 7.357 -4.403 1.00 0.00 C ATOM 583 O GLU A 37 22.555 7.493 -3.732 1.00 0.00 O ATOM 584 CB GLU A 37 25.937 6.960 -3.549 1.00 0.00 C ATOM 585 CG GLU A 37 26.810 6.505 -4.729 1.00 0.00 C ATOM 586 CD GLU A 37 27.930 5.553 -4.271 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.683 4.335 -4.117 1.00 0.00 O ATOM 588 OE2 GLU A 37 29.081 6.009 -4.082 1.00 0.00 O ATOM 0 H GLU A 37 23.804 8.784 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 37 25.251 8.604 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.577 7.366 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.426 6.095 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.188 6.005 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.249 7.376 -5.215 1.00 0.00 H new ATOM 595 N VAL A 38 23.617 6.598 -5.505 1.00 0.00 N ATOM 596 CA VAL A 38 22.536 5.716 -5.958 1.00 0.00 C ATOM 597 C VAL A 38 23.138 4.381 -6.423 1.00 0.00 C ATOM 598 O VAL A 38 24.345 4.283 -6.659 1.00 0.00 O ATOM 599 CB VAL A 38 21.646 6.363 -7.053 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.249 7.802 -6.716 1.00 0.00 C ATOM 601 CG2 VAL A 38 22.273 6.367 -8.453 1.00 0.00 C ATOM 0 H VAL A 38 24.426 6.581 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 38 21.867 5.536 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 38 20.765 5.722 -7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.628 8.205 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 20.690 7.816 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.146 8.412 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.587 6.836 -9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.209 6.926 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.470 5.342 -8.766 1.00 0.00 H new ATOM 611 N ARG A 39 22.291 3.365 -6.600 1.00 0.00 N ATOM 612 CA ARG A 39 22.647 2.061 -7.149 1.00 0.00 C ATOM 613 C ARG A 39 21.465 1.602 -7.994 1.00 0.00 C ATOM 614 O ARG A 39 20.427 1.237 -7.443 1.00 0.00 O ATOM 615 CB ARG A 39 22.966 1.091 -5.994 1.00 0.00 C ATOM 616 CG ARG A 39 23.299 -0.338 -6.459 1.00 0.00 C ATOM 617 CD ARG A 39 23.608 -1.265 -5.274 1.00 0.00 C ATOM 618 NE ARG A 39 22.418 -1.534 -4.440 1.00 0.00 N ATOM 619 CZ ARG A 39 22.434 -2.032 -3.195 1.00 0.00 C ATOM 620 NH1 ARG A 39 23.587 -2.324 -2.597 1.00 0.00 N ATOM 621 NH2 ARG A 39 21.290 -2.243 -2.548 1.00 0.00 N ATOM 0 H ARG A 39 21.303 3.433 -6.355 1.00 0.00 H new ATOM 0 HA ARG A 39 23.538 2.101 -7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 39 23.808 1.483 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.113 1.053 -5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 39 22.460 -0.741 -7.026 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.156 -0.311 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.006 -2.208 -5.649 1.00 0.00 H new ATOM 0 HD3 ARG A 39 24.385 -0.814 -4.657 1.00 0.00 H new ATOM 0 HE ARG A 39 21.506 -1.323 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 39 24.469 -2.169 -3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.589 -2.702 -1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.401 -2.026 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.302 -2.622 -1.601 1.00 0.00 H new ATOM 635 N LEU A 40 21.586 1.678 -9.321 1.00 0.00 N ATOM 636 CA LEU A 40 20.620 1.069 -10.230 1.00 0.00 C ATOM 637 C LEU A 40 20.840 -0.442 -10.189 1.00 0.00 C ATOM 638 O LEU A 40 21.883 -0.924 -9.740 1.00 0.00 O ATOM 639 CB LEU A 40 20.812 1.581 -11.680 1.00 0.00 C ATOM 640 CG LEU A 40 20.102 2.901 -12.035 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.590 2.699 -12.156 1.00 0.00 C ATOM 642 CD2 LEU A 40 20.404 4.035 -11.051 1.00 0.00 C ATOM 0 H LEU A 40 22.352 2.161 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 40 19.609 1.332 -9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.880 1.707 -11.860 1.00 0.00 H new ATOM 0 HB3 LEU A 40 20.462 0.809 -12.365 1.00 0.00 H new ATOM 0 HG LEU A 40 20.504 3.204 -13.002 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.115 3.647 -12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.382 1.970 -12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.194 2.335 -11.208 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.873 4.935 -11.359 1.00 0.00 H new ATOM 0 HD22 LEU A 40 20.078 3.746 -10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.476 4.232 -11.041 1.00 0.00 H new ATOM 654 N VAL A 41 19.883 -1.180 -10.736 1.00 0.00 N ATOM 655 CA VAL A 41 20.009 -2.607 -10.988 1.00 0.00 C ATOM 656 C VAL A 41 20.141 -2.727 -12.515 1.00 0.00 C ATOM 657 O VAL A 41 19.137 -2.584 -13.207 1.00 0.00 O ATOM 658 CB VAL A 41 18.815 -3.362 -10.363 1.00 0.00 C ATOM 659 CG1 VAL A 41 18.909 -4.873 -10.620 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.762 -3.128 -8.842 1.00 0.00 C ATOM 0 H VAL A 41 18.982 -0.796 -11.021 1.00 0.00 H new ATOM 0 HA VAL A 41 20.878 -3.072 -10.522 1.00 0.00 H new ATOM 0 HB VAL A 41 17.911 -2.974 -10.833 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.053 -5.373 -10.167 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.911 -5.060 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.829 -5.260 -10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.914 -3.668 -8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.684 -3.488 -8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.650 -2.063 -8.641 1.00 0.00 H new ATOM 670 N PRO A 42 21.345 -2.941 -13.083 1.00 0.00 N ATOM 671 CA PRO A 42 21.615 -2.859 -14.528 1.00 0.00 C ATOM 672 C PRO A 42 21.053 -4.023 -15.374 1.00 0.00 C ATOM 673 O PRO A 42 21.535 -4.320 -16.469 1.00 0.00 O ATOM 674 CB PRO A 42 23.135 -2.677 -14.649 1.00 0.00 C ATOM 675 CG PRO A 42 23.667 -3.368 -13.399 1.00 0.00 C ATOM 676 CD PRO A 42 22.602 -3.028 -12.362 1.00 0.00 C ATOM 0 HA PRO A 42 21.075 -2.017 -14.961 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.524 -3.134 -15.559 1.00 0.00 H new ATOM 0 HB3 PRO A 42 23.414 -1.624 -14.677 1.00 0.00 H new ATOM 0 HG2 PRO A 42 23.768 -4.444 -13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.649 -2.991 -13.112 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.554 -3.794 -11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 42 22.831 -2.086 -11.864 1.00 0.00 H new ATOM 684 N ASN A 43 20.017 -4.672 -14.852 1.00 0.00 N ATOM 685 CA ASN A 43 19.164 -5.660 -15.503 1.00 0.00 C ATOM 686 C ASN A 43 17.666 -5.426 -15.223 1.00 0.00 C ATOM 687 O ASN A 43 16.826 -6.057 -15.864 1.00 0.00 O ATOM 688 CB ASN A 43 19.582 -7.092 -15.130 1.00 0.00 C ATOM 689 CG ASN A 43 19.231 -7.454 -13.689 1.00 0.00 C ATOM 690 OD1 ASN A 43 18.100 -7.809 -13.377 1.00 0.00 O ATOM 691 ND2 ASN A 43 20.186 -7.356 -12.777 1.00 0.00 N ATOM 0 H ASN A 43 19.730 -4.508 -13.887 1.00 0.00 H new ATOM 0 HA ASN A 43 19.306 -5.534 -16.576 1.00 0.00 H new ATOM 0 HB2 ASN A 43 19.095 -7.795 -15.805 1.00 0.00 H new ATOM 0 HB3 ASN A 43 20.657 -7.202 -15.276 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.985 -7.577 -11.802 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.123 -7.059 -13.050 1.00 0.00 H new ATOM 698 N ARG A 44 17.311 -4.500 -14.321 1.00 0.00 N ATOM 699 CA ARG A 44 15.974 -4.020 -14.035 1.00 0.00 C ATOM 700 C ARG A 44 16.150 -2.553 -13.658 1.00 0.00 C ATOM 701 O ARG A 44 16.047 -2.189 -12.490 1.00 0.00 O ATOM 702 CB ARG A 44 15.329 -4.818 -12.887 1.00 0.00 C ATOM 703 CG ARG A 44 14.555 -6.054 -13.357 1.00 0.00 C ATOM 704 CD ARG A 44 13.596 -6.519 -12.257 1.00 0.00 C ATOM 705 NE ARG A 44 12.522 -5.538 -12.021 1.00 0.00 N ATOM 706 CZ ARG A 44 11.479 -5.700 -11.201 1.00 0.00 C ATOM 707 NH1 ARG A 44 11.325 -6.830 -10.512 1.00 0.00 N ATOM 708 NH2 ARG A 44 10.589 -4.725 -11.069 1.00 0.00 N ATOM 0 H ARG A 44 18.010 -4.041 -13.736 1.00 0.00 H new ATOM 0 HA ARG A 44 15.309 -4.141 -14.890 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.107 -5.130 -12.191 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.653 -4.164 -12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.997 -5.821 -14.264 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.250 -6.855 -13.608 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.159 -7.477 -12.537 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.152 -6.680 -11.333 1.00 0.00 H new ATOM 0 HE ARG A 44 12.580 -4.656 -12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.007 -7.582 -10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.525 -6.943 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.702 -3.857 -11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.791 -4.844 -10.445 1.00 0.00 H new ATOM 722 N HIS A 45 16.456 -1.693 -14.633 1.00 0.00 N ATOM 723 CA HIS A 45 16.606 -0.260 -14.377 1.00 0.00 C ATOM 724 C HIS A 45 15.328 0.356 -13.776 1.00 0.00 C ATOM 725 O HIS A 45 15.365 1.496 -13.318 1.00 0.00 O ATOM 726 CB HIS A 45 16.925 0.489 -15.677 1.00 0.00 C ATOM 727 CG HIS A 45 18.022 -0.109 -16.518 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.909 -0.500 -17.832 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.312 -0.348 -16.132 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.101 -0.973 -18.228 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.995 -0.906 -17.222 1.00 0.00 N ATOM 0 H HIS A 45 16.604 -1.964 -15.605 1.00 0.00 H new ATOM 0 HA HIS A 45 17.423 -0.157 -13.663 1.00 0.00 H new ATOM 0 HB2 HIS A 45 16.017 0.540 -16.278 1.00 0.00 H new ATOM 0 HB3 HIS A 45 17.200 1.514 -15.427 1.00 0.00 H new ATOM 0 HD1 HIS A 45 17.067 -0.441 -18.405 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.731 -0.143 -15.158 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.314 -1.354 -19.216 1.00 0.00 H new ATOM 739 N ASP A 46 14.198 -0.366 -13.804 1.00 0.00 N ATOM 740 CA ASP A 46 12.920 0.081 -13.271 1.00 0.00 C ATOM 741 C ASP A 46 12.909 0.091 -11.737 1.00 0.00 C ATOM 742 O ASP A 46 11.935 0.566 -11.151 1.00 0.00 O ATOM 743 CB ASP A 46 11.766 -0.768 -13.821 1.00 0.00 C ATOM 744 CG ASP A 46 11.611 -2.106 -13.089 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.514 -2.962 -13.203 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.575 -2.327 -12.426 1.00 0.00 O ATOM 0 H ASP A 46 14.156 -1.301 -14.211 1.00 0.00 H new ATOM 0 HA ASP A 46 12.776 1.109 -13.602 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.836 -0.205 -13.740 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.933 -0.957 -14.881 1.00 0.00 H new ATOM 751 N ILE A 47 13.977 -0.385 -11.083 1.00 0.00 N ATOM 752 CA ILE A 47 14.192 -0.286 -9.646 1.00 0.00 C ATOM 753 C ILE A 47 15.605 0.256 -9.372 1.00 0.00 C ATOM 754 O ILE A 47 16.488 0.202 -10.236 1.00 0.00 O ATOM 755 CB ILE A 47 13.941 -1.652 -8.964 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.168 -2.577 -9.148 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.604 -2.272 -9.423 1.00 0.00 C ATOM 758 CD1 ILE A 47 14.886 -4.072 -9.198 1.00 0.00 C ATOM 0 H ILE A 47 14.738 -0.865 -11.563 1.00 0.00 H new ATOM 0 HA ILE A 47 13.478 0.416 -9.215 1.00 0.00 H new ATOM 0 HB ILE A 47 13.830 -1.506 -7.890 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.674 -2.294 -10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 47 15.864 -2.388 -8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.458 -3.231 -8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.784 -1.601 -9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.624 -2.423 -10.502 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.822 -4.615 -9.330 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.413 -4.384 -8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.220 -4.289 -10.033 1.00 0.00 H new ATOM 770 N ALA A 48 15.829 0.769 -8.164 1.00 0.00 N ATOM 771 CA ALA A 48 17.097 1.358 -7.737 1.00 0.00 C ATOM 772 C ALA A 48 17.144 1.461 -6.216 1.00 0.00 C ATOM 773 O ALA A 48 16.156 1.202 -5.531 1.00 0.00 O ATOM 774 CB ALA A 48 17.253 2.771 -8.328 1.00 0.00 C ATOM 0 H ALA A 48 15.115 0.787 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 48 17.905 0.718 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.201 3.199 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.235 2.714 -9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.433 3.402 -7.984 1.00 0.00 H new ATOM 780 N PHE A 49 18.282 1.918 -5.706 1.00 0.00 N ATOM 781 CA PHE A 49 18.480 2.311 -4.325 1.00 0.00 C ATOM 782 C PHE A 49 19.140 3.688 -4.354 1.00 0.00 C ATOM 783 O PHE A 49 19.848 4.017 -5.310 1.00 0.00 O ATOM 784 CB PHE A 49 19.369 1.317 -3.564 1.00 0.00 C ATOM 785 CG PHE A 49 18.835 -0.096 -3.422 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.903 -0.993 -4.508 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.327 -0.535 -2.182 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.467 -2.321 -4.356 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.908 -1.869 -2.029 1.00 0.00 C ATOM 790 CZ PHE A 49 17.977 -2.761 -3.114 1.00 0.00 C ATOM 0 H PHE A 49 19.124 2.027 -6.271 1.00 0.00 H new ATOM 0 HA PHE A 49 17.523 2.330 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.335 1.268 -4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.550 1.716 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.291 -0.659 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.260 0.152 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.508 -3.003 -5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.532 -2.209 -1.075 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.653 -3.784 -2.993 1.00 0.00 H new ATOM 800 N VAL A 50 18.933 4.483 -3.311 1.00 0.00 N ATOM 801 CA VAL A 50 19.476 5.828 -3.158 1.00 0.00 C ATOM 802 C VAL A 50 19.988 5.924 -1.716 1.00 0.00 C ATOM 803 O VAL A 50 19.392 5.333 -0.815 1.00 0.00 O ATOM 804 CB VAL A 50 18.378 6.858 -3.511 1.00 0.00 C ATOM 805 CG1 VAL A 50 18.840 8.304 -3.304 1.00 0.00 C ATOM 806 CG2 VAL A 50 17.884 6.691 -4.956 1.00 0.00 C ATOM 0 H VAL A 50 18.360 4.197 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 50 20.306 6.043 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 50 17.556 6.657 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.031 8.986 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.115 8.452 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 50 19.703 8.504 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.113 7.433 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.718 6.830 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.470 5.691 -5.086 1.00 0.00 H new ATOM 816 N GLU A 51 21.089 6.637 -1.488 1.00 0.00 N ATOM 817 CA GLU A 51 21.824 6.675 -0.230 1.00 0.00 C ATOM 818 C GLU A 51 22.102 8.135 0.121 1.00 0.00 C ATOM 819 O GLU A 51 22.444 8.939 -0.757 1.00 0.00 O ATOM 820 CB GLU A 51 23.121 5.865 -0.387 1.00 0.00 C ATOM 821 CG GLU A 51 23.992 5.897 0.878 1.00 0.00 C ATOM 822 CD GLU A 51 25.237 5.004 0.734 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.134 3.770 0.919 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.338 5.532 0.458 1.00 0.00 O ATOM 0 H GLU A 51 21.509 7.228 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 51 21.248 6.230 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.873 4.831 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.692 6.259 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.301 6.922 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.403 5.566 1.734 1.00 0.00 H new ATOM 831 N PHE A 52 21.946 8.452 1.410 1.00 0.00 N ATOM 832 CA PHE A 52 21.943 9.792 1.978 1.00 0.00 C ATOM 833 C PHE A 52 22.790 9.860 3.252 1.00 0.00 C ATOM 834 O PHE A 52 23.101 8.848 3.884 1.00 0.00 O ATOM 835 CB PHE A 52 20.490 10.196 2.289 1.00 0.00 C ATOM 836 CG PHE A 52 19.847 11.041 1.210 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.562 10.489 -0.050 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.573 12.399 1.455 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.055 11.301 -1.077 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.046 13.209 0.435 1.00 0.00 C ATOM 841 CZ PHE A 52 18.811 12.663 -0.838 1.00 0.00 C ATOM 0 H PHE A 52 21.811 7.734 2.122 1.00 0.00 H new ATOM 0 HA PHE A 52 22.379 10.481 1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.895 9.294 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.469 10.747 3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.733 9.438 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.768 12.820 2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.853 10.878 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.822 14.248 0.629 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.442 13.292 -1.634 1.00 0.00 H new ATOM 851 N THR A 53 23.125 11.091 3.630 1.00 0.00 N ATOM 852 CA THR A 53 23.875 11.476 4.815 1.00 0.00 C ATOM 853 C THR A 53 23.117 11.101 6.087 1.00 0.00 C ATOM 854 O THR A 53 23.691 10.503 6.999 1.00 0.00 O ATOM 855 CB THR A 53 24.071 13.008 4.772 1.00 0.00 C ATOM 856 OG1 THR A 53 24.810 13.390 3.629 1.00 0.00 O ATOM 857 CG2 THR A 53 24.760 13.555 6.024 1.00 0.00 C ATOM 0 H THR A 53 22.858 11.903 3.073 1.00 0.00 H new ATOM 0 HA THR A 53 24.833 10.955 4.826 1.00 0.00 H new ATOM 0 HB THR A 53 23.070 13.438 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.237 13.337 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.870 14.636 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.158 13.322 6.902 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.744 13.097 6.127 1.00 0.00 H new ATOM 865 N THR A 54 21.834 11.455 6.138 1.00 0.00 N ATOM 866 CA THR A 54 21.032 11.385 7.344 1.00 0.00 C ATOM 867 C THR A 54 19.628 10.912 7.000 1.00 0.00 C ATOM 868 O THR A 54 19.112 11.141 5.903 1.00 0.00 O ATOM 869 CB THR A 54 21.025 12.762 8.049 1.00 0.00 C ATOM 870 OG1 THR A 54 21.297 13.841 7.161 1.00 0.00 O ATOM 871 CG2 THR A 54 22.073 12.804 9.159 1.00 0.00 C ATOM 0 H THR A 54 21.321 11.803 5.328 1.00 0.00 H new ATOM 0 HA THR A 54 21.463 10.663 8.037 1.00 0.00 H new ATOM 0 HB THR A 54 20.019 12.881 8.451 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.279 14.686 7.657 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.052 13.781 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.855 12.030 9.895 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.061 12.631 8.733 1.00 0.00 H new ATOM 879 N GLU A 55 19.013 10.249 7.975 1.00 0.00 N ATOM 880 CA GLU A 55 17.754 9.521 7.797 1.00 0.00 C ATOM 881 C GLU A 55 16.581 10.504 7.663 1.00 0.00 C ATOM 882 O GLU A 55 15.550 10.198 7.065 1.00 0.00 O ATOM 883 CB GLU A 55 17.516 8.521 8.954 1.00 0.00 C ATOM 884 CG GLU A 55 18.779 7.854 9.545 1.00 0.00 C ATOM 885 CD GLU A 55 18.655 6.339 9.753 1.00 0.00 C ATOM 886 OE1 GLU A 55 19.022 5.588 8.818 1.00 0.00 O ATOM 887 OE2 GLU A 55 18.257 5.894 10.853 1.00 0.00 O ATOM 0 H GLU A 55 19.378 10.200 8.926 1.00 0.00 H new ATOM 0 HA GLU A 55 17.822 8.943 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.995 9.043 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.848 7.737 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.623 8.050 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.009 8.323 10.502 1.00 0.00 H new ATOM 894 N LEU A 56 16.748 11.713 8.207 1.00 0.00 N ATOM 895 CA LEU A 56 15.791 12.799 8.049 1.00 0.00 C ATOM 896 C LEU A 56 15.879 13.395 6.643 1.00 0.00 C ATOM 897 O LEU A 56 14.864 13.847 6.113 1.00 0.00 O ATOM 898 CB LEU A 56 16.048 13.896 9.096 1.00 0.00 C ATOM 899 CG LEU A 56 15.992 13.426 10.565 1.00 0.00 C ATOM 900 CD1 LEU A 56 16.140 14.632 11.497 1.00 0.00 C ATOM 901 CD2 LEU A 56 14.707 12.661 10.908 1.00 0.00 C ATOM 0 H LEU A 56 17.559 11.962 8.773 1.00 0.00 H new ATOM 0 HA LEU A 56 14.790 12.394 8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.029 14.333 8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.313 14.689 8.956 1.00 0.00 H new ATOM 0 HG LEU A 56 16.819 12.730 10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.100 14.298 12.534 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.096 15.121 11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.329 15.337 11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.732 12.359 11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.844 13.304 10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.631 11.775 10.277 1.00 0.00 H new ATOM 913 N GLN A 57 17.065 13.398 6.023 1.00 0.00 N ATOM 914 CA GLN A 57 17.226 13.974 4.694 1.00 0.00 C ATOM 915 C GLN A 57 16.765 12.992 3.619 1.00 0.00 C ATOM 916 O GLN A 57 16.133 13.434 2.659 1.00 0.00 O ATOM 917 CB GLN A 57 18.661 14.464 4.468 1.00 0.00 C ATOM 918 CG GLN A 57 18.995 15.626 5.417 1.00 0.00 C ATOM 919 CD GLN A 57 20.172 16.449 4.899 1.00 0.00 C ATOM 920 OE1 GLN A 57 19.989 17.483 4.266 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.397 16.003 5.122 1.00 0.00 N ATOM 0 H GLN A 57 17.919 13.009 6.422 1.00 0.00 H new ATOM 0 HA GLN A 57 16.586 14.853 4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.360 13.644 4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.782 14.787 3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.122 16.268 5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.231 15.233 6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.538 15.142 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.201 16.520 4.766 1.00 0.00 H new ATOM 930 N SER A 58 16.986 11.680 3.781 1.00 0.00 N ATOM 931 CA SER A 58 16.361 10.707 2.887 1.00 0.00 C ATOM 932 C SER A 58 14.839 10.814 2.993 1.00 0.00 C ATOM 933 O SER A 58 14.157 10.804 1.972 1.00 0.00 O ATOM 934 CB SER A 58 16.822 9.287 3.206 1.00 0.00 C ATOM 935 OG SER A 58 16.648 9.007 4.577 1.00 0.00 O ATOM 0 H SER A 58 17.580 11.279 4.507 1.00 0.00 H new ATOM 0 HA SER A 58 16.666 10.930 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.257 8.572 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.871 9.170 2.935 1.00 0.00 H new ATOM 0 HG SER A 58 16.492 8.047 4.698 1.00 0.00 H new ATOM 941 N ASN A 59 14.299 10.979 4.210 1.00 0.00 N ATOM 942 CA ASN A 59 12.873 11.221 4.419 1.00 0.00 C ATOM 943 C ASN A 59 12.393 12.458 3.663 1.00 0.00 C ATOM 944 O ASN A 59 11.396 12.388 2.951 1.00 0.00 O ATOM 945 CB ASN A 59 12.555 11.327 5.916 1.00 0.00 C ATOM 946 CG ASN A 59 11.154 11.884 6.155 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.155 11.224 5.893 1.00 0.00 O ATOM 948 ND2 ASN A 59 11.056 13.106 6.653 1.00 0.00 N ATOM 0 H ASN A 59 14.842 10.948 5.073 1.00 0.00 H new ATOM 0 HA ASN A 59 12.329 10.367 4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.639 10.343 6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.290 11.970 6.400 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.137 13.514 6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.899 13.640 6.865 1.00 0.00 H new ATOM 955 N ALA A 60 13.109 13.577 3.767 1.00 0.00 N ATOM 956 CA ALA A 60 12.745 14.795 3.047 1.00 0.00 C ATOM 957 C ALA A 60 12.753 14.572 1.532 1.00 0.00 C ATOM 958 O ALA A 60 11.822 14.982 0.840 1.00 0.00 O ATOM 959 CB ALA A 60 13.676 15.943 3.447 1.00 0.00 C ATOM 0 H ALA A 60 13.946 13.664 4.344 1.00 0.00 H new ATOM 0 HA ALA A 60 11.726 15.066 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.395 16.845 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.592 16.123 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.705 15.679 3.203 1.00 0.00 H new ATOM 965 N ALA A 61 13.772 13.886 1.018 1.00 0.00 N ATOM 966 CA ALA A 61 13.882 13.581 -0.402 1.00 0.00 C ATOM 967 C ALA A 61 12.766 12.631 -0.860 1.00 0.00 C ATOM 968 O ALA A 61 12.224 12.797 -1.954 1.00 0.00 O ATOM 969 CB ALA A 61 15.257 12.984 -0.694 1.00 0.00 C ATOM 0 H ALA A 61 14.545 13.526 1.578 1.00 0.00 H new ATOM 0 HA ALA A 61 13.768 14.508 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.337 12.757 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.031 13.700 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.386 12.069 -0.117 1.00 0.00 H new ATOM 975 N LYS A 62 12.394 11.655 -0.026 1.00 0.00 N ATOM 976 CA LYS A 62 11.273 10.756 -0.274 1.00 0.00 C ATOM 977 C LYS A 62 9.992 11.573 -0.403 1.00 0.00 C ATOM 978 O LYS A 62 9.294 11.443 -1.405 1.00 0.00 O ATOM 979 CB LYS A 62 11.204 9.703 0.849 1.00 0.00 C ATOM 980 CG LYS A 62 10.008 8.751 0.724 1.00 0.00 C ATOM 981 CD LYS A 62 9.968 7.767 1.898 1.00 0.00 C ATOM 982 CE LYS A 62 8.773 6.819 1.739 1.00 0.00 C ATOM 983 NZ LYS A 62 8.579 5.968 2.933 1.00 0.00 N ATOM 0 H LYS A 62 12.874 11.468 0.854 1.00 0.00 H new ATOM 0 HA LYS A 62 11.407 10.216 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.125 9.119 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.153 10.213 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.082 9.326 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.072 8.201 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.895 7.195 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.889 8.312 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.870 7.401 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.925 6.187 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.671 5.467 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.352 5.276 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.577 6.562 3.786 1.00 0.00 H new ATOM 997 N GLU A 63 9.706 12.447 0.563 1.00 0.00 N ATOM 998 CA GLU A 63 8.513 13.290 0.531 1.00 0.00 C ATOM 999 C GLU A 63 8.500 14.162 -0.731 1.00 0.00 C ATOM 1000 O GLU A 63 7.444 14.376 -1.331 1.00 0.00 O ATOM 1001 CB GLU A 63 8.455 14.169 1.794 1.00 0.00 C ATOM 1002 CG GLU A 63 8.178 13.390 3.089 1.00 0.00 C ATOM 1003 CD GLU A 63 6.717 12.915 3.186 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.850 13.692 3.650 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.418 11.757 2.816 1.00 0.00 O ATOM 0 H GLU A 63 10.292 12.589 1.385 1.00 0.00 H new ATOM 0 HA GLU A 63 7.633 12.647 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.401 14.700 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.679 14.923 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.842 12.527 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.410 14.022 3.947 1.00 0.00 H new ATOM 1012 N ALA A 64 9.673 14.647 -1.144 1.00 0.00 N ATOM 1013 CA ALA A 64 9.829 15.538 -2.281 1.00 0.00 C ATOM 1014 C ALA A 64 9.622 14.842 -3.633 1.00 0.00 C ATOM 1015 O ALA A 64 9.049 15.460 -4.533 1.00 0.00 O ATOM 1016 CB ALA A 64 11.230 16.148 -2.234 1.00 0.00 C ATOM 0 H ALA A 64 10.555 14.423 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 64 9.057 16.303 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.363 16.820 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.353 16.706 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.975 15.353 -2.281 1.00 0.00 H new ATOM 1022 N LEU A 65 10.078 13.591 -3.799 1.00 0.00 N ATOM 1023 CA LEU A 65 10.129 12.930 -5.110 1.00 0.00 C ATOM 1024 C LEU A 65 9.230 11.699 -5.228 1.00 0.00 C ATOM 1025 O LEU A 65 9.162 11.118 -6.313 1.00 0.00 O ATOM 1026 CB LEU A 65 11.582 12.586 -5.503 1.00 0.00 C ATOM 1027 CG LEU A 65 12.512 13.786 -5.759 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.887 13.278 -6.209 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.988 14.749 -6.832 1.00 0.00 C ATOM 0 H LEU A 65 10.420 13.012 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 65 9.728 13.658 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.017 11.976 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.559 11.971 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 65 12.568 14.335 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.547 14.126 -6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.314 12.646 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.779 12.700 -7.126 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.693 15.570 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.877 14.216 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.021 15.146 -6.523 1.00 0.00 H new ATOM 1041 N GLN A 66 8.507 11.290 -4.180 1.00 0.00 N ATOM 1042 CA GLN A 66 7.477 10.267 -4.360 1.00 0.00 C ATOM 1043 C GLN A 66 6.474 10.757 -5.416 1.00 0.00 C ATOM 1044 O GLN A 66 5.955 11.874 -5.330 1.00 0.00 O ATOM 1045 CB GLN A 66 6.751 9.927 -3.048 1.00 0.00 C ATOM 1046 CG GLN A 66 7.435 8.795 -2.265 1.00 0.00 C ATOM 1047 CD GLN A 66 6.588 8.320 -1.080 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.892 9.092 -0.428 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.606 7.030 -0.776 1.00 0.00 N ATOM 0 H GLN A 66 8.611 11.640 -3.227 1.00 0.00 H new ATOM 0 HA GLN A 66 7.962 9.349 -4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.704 10.818 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.723 9.639 -3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.625 7.956 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.404 9.139 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.184 6.387 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.042 6.681 -0.001 1.00 0.00 H new ATOM 1058 N GLY A 67 6.207 9.908 -6.407 1.00 0.00 N ATOM 1059 CA GLY A 67 5.294 10.172 -7.511 1.00 0.00 C ATOM 1060 C GLY A 67 5.908 11.021 -8.631 1.00 0.00 C ATOM 1061 O GLY A 67 5.192 11.383 -9.566 1.00 0.00 O ATOM 0 H GLY A 67 6.637 8.985 -6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.960 9.222 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.410 10.680 -7.126 1.00 0.00 H new ATOM 1065 N PHE A 68 7.199 11.365 -8.563 1.00 0.00 N ATOM 1066 CA PHE A 68 7.844 12.245 -9.532 1.00 0.00 C ATOM 1067 C PHE A 68 7.994 11.514 -10.864 1.00 0.00 C ATOM 1068 O PHE A 68 8.629 10.461 -10.916 1.00 0.00 O ATOM 1069 CB PHE A 68 9.213 12.688 -8.995 1.00 0.00 C ATOM 1070 CG PHE A 68 9.991 13.592 -9.929 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.758 14.981 -9.925 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.953 13.046 -10.800 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.487 15.820 -10.787 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.675 13.887 -11.666 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.445 15.273 -11.659 1.00 0.00 C ATOM 0 H PHE A 68 7.825 11.036 -7.828 1.00 0.00 H new ATOM 0 HA PHE A 68 7.231 13.133 -9.690 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.067 13.205 -8.047 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.811 11.801 -8.786 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.019 15.402 -9.260 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.137 11.982 -10.803 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.311 16.885 -10.779 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.408 13.466 -12.338 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.003 15.917 -12.322 1.00 0.00 H new ATOM 1085 N LYS A 69 7.438 12.060 -11.948 1.00 0.00 N ATOM 1086 CA LYS A 69 7.674 11.535 -13.293 1.00 0.00 C ATOM 1087 C LYS A 69 9.149 11.712 -13.628 1.00 0.00 C ATOM 1088 O LYS A 69 9.592 12.834 -13.879 1.00 0.00 O ATOM 1089 CB LYS A 69 6.807 12.236 -14.361 1.00 0.00 C ATOM 1090 CG LYS A 69 5.597 11.402 -14.797 1.00 0.00 C ATOM 1091 CD LYS A 69 4.529 11.226 -13.712 1.00 0.00 C ATOM 1092 CE LYS A 69 3.517 10.142 -14.114 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.614 10.551 -15.220 1.00 0.00 N ATOM 0 H LYS A 69 6.818 12.870 -11.919 1.00 0.00 H new ATOM 0 HA LYS A 69 7.395 10.481 -13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.459 13.191 -13.968 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.423 12.455 -15.233 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.140 11.873 -15.667 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.943 10.418 -15.113 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.003 10.955 -12.769 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.011 12.171 -13.548 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.058 9.244 -14.412 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.916 9.878 -13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.767 9.947 -15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.332 11.543 -15.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.110 10.449 -16.129 1.00 0.00 H new ATOM 1107 N ILE A 70 9.900 10.611 -13.647 1.00 0.00 N ATOM 1108 CA ILE A 70 11.262 10.626 -14.173 1.00 0.00 C ATOM 1109 C ILE A 70 11.097 10.828 -15.688 1.00 0.00 C ATOM 1110 O ILE A 70 11.752 11.692 -16.273 1.00 0.00 O ATOM 1111 CB ILE A 70 12.005 9.340 -13.787 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.107 9.208 -12.255 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.415 9.360 -14.394 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.542 7.814 -11.804 1.00 0.00 C ATOM 0 H ILE A 70 9.589 9.702 -13.305 1.00 0.00 H new ATOM 0 HA ILE A 70 11.880 11.422 -13.758 1.00 0.00 H new ATOM 0 HB ILE A 70 11.447 8.487 -14.174 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.818 9.944 -11.879 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.140 9.443 -11.810 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.942 8.446 -14.119 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.343 9.425 -15.480 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.962 10.223 -14.014 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.595 7.784 -10.716 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.819 7.077 -12.152 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.523 7.586 -12.222 1.00 0.00 H new ATOM 1126 N THR A 71 10.165 10.088 -16.300 1.00 0.00 N ATOM 1127 CA THR A 71 9.686 10.295 -17.661 1.00 0.00 C ATOM 1128 C THR A 71 8.156 10.201 -17.593 1.00 0.00 C ATOM 1129 O THR A 71 7.654 9.698 -16.584 1.00 0.00 O ATOM 1130 CB THR A 71 10.323 9.297 -18.643 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.139 7.960 -18.230 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.825 9.540 -18.819 1.00 0.00 C ATOM 0 H THR A 71 9.710 9.300 -15.839 1.00 0.00 H new ATOM 0 HA THR A 71 9.977 11.271 -18.050 1.00 0.00 H new ATOM 0 HB THR A 71 9.815 9.460 -19.594 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.556 7.357 -18.880 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.232 8.812 -19.521 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.988 10.546 -19.205 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.326 9.435 -17.857 1.00 0.00 H new ATOM 1140 N PRO A 72 7.399 10.682 -18.602 1.00 0.00 N ATOM 1141 CA PRO A 72 5.943 10.841 -18.546 1.00 0.00 C ATOM 1142 C PRO A 72 5.114 9.662 -18.022 1.00 0.00 C ATOM 1143 O PRO A 72 3.989 9.886 -17.573 1.00 0.00 O ATOM 1144 CB PRO A 72 5.517 11.218 -19.967 1.00 0.00 C ATOM 1145 CG PRO A 72 6.718 12.007 -20.474 1.00 0.00 C ATOM 1146 CD PRO A 72 7.896 11.265 -19.846 1.00 0.00 C ATOM 0 HA PRO A 72 5.733 11.601 -17.793 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.322 10.337 -20.579 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.607 11.817 -19.972 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.773 12.006 -21.563 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.681 13.049 -20.157 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.269 10.491 -20.516 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.725 11.946 -19.652 1.00 0.00 H new ATOM 1154 N THR A 73 5.639 8.438 -18.035 1.00 0.00 N ATOM 1155 CA THR A 73 4.924 7.218 -17.679 1.00 0.00 C ATOM 1156 C THR A 73 5.593 6.470 -16.515 1.00 0.00 C ATOM 1157 O THR A 73 5.205 5.341 -16.204 1.00 0.00 O ATOM 1158 CB THR A 73 4.783 6.360 -18.956 1.00 0.00 C ATOM 1159 OG1 THR A 73 6.016 6.312 -19.659 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.725 6.947 -19.900 1.00 0.00 C ATOM 0 H THR A 73 6.608 8.265 -18.303 1.00 0.00 H new ATOM 0 HA THR A 73 3.930 7.463 -17.306 1.00 0.00 H new ATOM 0 HB THR A 73 4.484 5.360 -18.642 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.912 5.764 -20.465 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.646 6.324 -20.791 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.761 6.978 -19.392 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.015 7.957 -20.189 1.00 0.00 H new ATOM 1168 N HIS A 74 6.562 7.096 -15.832 1.00 0.00 N ATOM 1169 CA HIS A 74 7.369 6.467 -14.796 1.00 0.00 C ATOM 1170 C HIS A 74 7.423 7.383 -13.582 1.00 0.00 C ATOM 1171 O HIS A 74 8.417 8.071 -13.331 1.00 0.00 O ATOM 1172 CB HIS A 74 8.748 6.091 -15.343 1.00 0.00 C ATOM 1173 CG HIS A 74 8.667 5.113 -16.485 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.764 5.428 -17.819 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.431 3.766 -16.403 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.591 4.302 -18.529 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.391 3.252 -17.708 1.00 0.00 N ATOM 0 H HIS A 74 6.806 8.073 -15.993 1.00 0.00 H new ATOM 0 HA HIS A 74 6.915 5.530 -14.474 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.261 6.993 -15.677 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.348 5.660 -14.542 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.937 6.357 -18.203 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.299 3.199 -15.493 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.609 4.245 -19.607 1.00 0.00 H new ATOM 1185 N ALA A 75 6.295 7.436 -12.868 1.00 0.00 N ATOM 1186 CA ALA A 75 6.200 8.072 -11.564 1.00 0.00 C ATOM 1187 C ALA A 75 7.040 7.253 -10.579 1.00 0.00 C ATOM 1188 O ALA A 75 6.643 6.150 -10.195 1.00 0.00 O ATOM 1189 CB ALA A 75 4.735 8.136 -11.111 1.00 0.00 C ATOM 0 H ALA A 75 5.415 7.032 -13.189 1.00 0.00 H new ATOM 0 HA ALA A 75 6.575 9.095 -11.609 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.677 8.614 -10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.156 8.713 -11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.330 7.126 -11.045 1.00 0.00 H new ATOM 1195 N MET A 76 8.194 7.791 -10.198 1.00 0.00 N ATOM 1196 CA MET A 76 9.097 7.250 -9.198 1.00 0.00 C ATOM 1197 C MET A 76 8.340 6.861 -7.931 1.00 0.00 C ATOM 1198 O MET A 76 7.700 7.712 -7.309 1.00 0.00 O ATOM 1199 CB MET A 76 10.125 8.344 -8.869 1.00 0.00 C ATOM 1200 CG MET A 76 11.226 7.887 -7.911 1.00 0.00 C ATOM 1201 SD MET A 76 12.276 9.231 -7.293 1.00 0.00 S ATOM 1202 CE MET A 76 13.032 9.872 -8.810 1.00 0.00 C ATOM 0 H MET A 76 8.539 8.662 -10.602 1.00 0.00 H new ATOM 0 HA MET A 76 9.582 6.353 -9.582 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.583 8.690 -9.796 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.607 9.197 -8.432 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.767 7.380 -7.062 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.853 7.154 -8.419 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.613 10.765 -8.578 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.687 9.114 -9.238 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.251 10.124 -9.527 1.00 0.00 H new ATOM 1212 N LYS A 77 8.434 5.599 -7.519 1.00 0.00 N ATOM 1213 CA LYS A 77 7.957 5.172 -6.210 1.00 0.00 C ATOM 1214 C LYS A 77 9.198 5.024 -5.343 1.00 0.00 C ATOM 1215 O LYS A 77 10.261 4.644 -5.839 1.00 0.00 O ATOM 1216 CB LYS A 77 7.194 3.851 -6.298 1.00 0.00 C ATOM 1217 CG LYS A 77 5.833 3.980 -6.997 1.00 0.00 C ATOM 1218 CD LYS A 77 4.903 2.790 -6.701 1.00 0.00 C ATOM 1219 CE LYS A 77 5.548 1.432 -7.020 1.00 0.00 C ATOM 1220 NZ LYS A 77 4.666 0.289 -6.670 1.00 0.00 N ATOM 0 H LYS A 77 8.840 4.850 -8.080 1.00 0.00 H new ATOM 0 HA LYS A 77 7.259 5.897 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.803 3.123 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.042 3.460 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.350 4.903 -6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.987 4.058 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.617 2.812 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.988 2.897 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.790 1.389 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.488 1.342 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.145 -0.604 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.455 0.312 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.779 0.357 -7.209 1.00 0.00 H new ATOM 1234 N ILE A 78 9.060 5.332 -4.058 1.00 0.00 N ATOM 1235 CA ILE A 78 10.156 5.375 -3.098 1.00 0.00 C ATOM 1236 C ILE A 78 9.637 4.708 -1.825 1.00 0.00 C ATOM 1237 O ILE A 78 8.493 4.945 -1.429 1.00 0.00 O ATOM 1238 CB ILE A 78 10.588 6.839 -2.819 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.744 7.709 -4.090 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.881 6.874 -1.981 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.128 9.163 -3.808 1.00 0.00 C ATOM 0 H ILE A 78 8.157 5.565 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 78 11.036 4.858 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 78 9.769 7.283 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.503 7.262 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.806 7.693 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.167 7.909 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.712 6.369 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.680 6.368 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.218 9.705 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.359 9.630 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.082 9.192 -3.281 1.00 0.00 H new ATOM 1253 N THR A 79 10.499 3.949 -1.159 1.00 0.00 N ATOM 1254 CA THR A 79 10.256 3.264 0.101 1.00 0.00 C ATOM 1255 C THR A 79 11.535 3.374 0.942 1.00 0.00 C ATOM 1256 O THR A 79 12.628 3.499 0.381 1.00 0.00 O ATOM 1257 CB THR A 79 9.872 1.791 -0.168 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.451 1.249 -1.350 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.363 1.633 -0.355 1.00 0.00 C ATOM 0 H THR A 79 11.444 3.787 -1.507 1.00 0.00 H new ATOM 0 HA THR A 79 9.426 3.717 0.644 1.00 0.00 H new ATOM 0 HB THR A 79 10.246 1.263 0.709 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.252 1.762 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.127 0.585 -0.542 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.848 1.965 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.036 2.236 -1.203 1.00 0.00 H new ATOM 1267 N PHE A 80 11.432 3.349 2.272 1.00 0.00 N ATOM 1268 CA PHE A 80 12.621 3.300 3.118 1.00 0.00 C ATOM 1269 C PHE A 80 13.223 1.902 3.002 1.00 0.00 C ATOM 1270 O PHE A 80 12.538 0.919 3.295 1.00 0.00 O ATOM 1271 CB PHE A 80 12.279 3.636 4.579 1.00 0.00 C ATOM 1272 CG PHE A 80 11.966 5.100 4.824 1.00 0.00 C ATOM 1273 CD1 PHE A 80 12.941 6.086 4.575 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.703 5.480 5.312 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.638 7.446 4.764 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.408 6.836 5.533 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.368 7.819 5.239 1.00 0.00 C ATOM 0 H PHE A 80 10.548 3.362 2.780 1.00 0.00 H new ATOM 0 HA PHE A 80 13.343 4.046 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.422 3.037 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.116 3.344 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 80 13.925 5.796 4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.957 4.727 5.518 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.378 8.202 4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.445 7.122 5.928 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.130 8.863 5.378 1.00 0.00 H new ATOM 1287 N ALA A 81 14.493 1.808 2.588 1.00 0.00 N ATOM 1288 CA ALA A 81 15.246 0.561 2.639 1.00 0.00 C ATOM 1289 C ALA A 81 15.613 0.254 4.102 1.00 0.00 C ATOM 1290 O ALA A 81 15.054 0.826 5.042 1.00 0.00 O ATOM 1291 CB ALA A 81 16.480 0.656 1.725 1.00 0.00 C ATOM 0 H ALA A 81 15.021 2.595 2.210 1.00 0.00 H new ATOM 0 HA ALA A 81 14.642 -0.267 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.038 -0.279 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.160 0.840 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.118 1.474 2.059 1.00 0.00 H new ATOM 1297 N LYS A 82 16.579 -0.643 4.295 1.00 0.00 N ATOM 1298 CA LYS A 82 17.068 -1.080 5.603 1.00 0.00 C ATOM 1299 C LYS A 82 18.594 -0.970 5.628 1.00 0.00 C ATOM 1300 O LYS A 82 19.193 -0.494 4.659 1.00 0.00 O ATOM 1301 CB LYS A 82 16.563 -2.510 5.893 1.00 0.00 C ATOM 1302 CG LYS A 82 15.033 -2.616 5.751 1.00 0.00 C ATOM 1303 CD LYS A 82 14.465 -3.969 6.203 1.00 0.00 C ATOM 1304 CE LYS A 82 14.399 -4.082 7.733 1.00 0.00 C ATOM 1305 NZ LYS A 82 13.849 -5.388 8.176 1.00 0.00 N ATOM 0 H LYS A 82 17.059 -1.101 3.520 1.00 0.00 H new ATOM 0 HA LYS A 82 16.681 -0.441 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.041 -3.210 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.855 -2.801 6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.567 -1.823 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.761 -2.447 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.466 -4.101 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.085 -4.773 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.398 -3.951 8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.781 -3.276 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.823 -5.419 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.885 -5.504 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.453 -6.157 7.821 1.00 0.00 H new ATOM 1319 N LYS A 83 19.225 -1.382 6.728 1.00 0.00 N ATOM 1320 CA LYS A 83 20.672 -1.438 6.903 1.00 0.00 C ATOM 1321 C LYS A 83 20.969 -2.717 7.673 1.00 0.00 C ATOM 1322 O LYS A 83 21.990 -3.369 7.381 1.00 0.00 O ATOM 1323 CB LYS A 83 21.196 -0.214 7.675 1.00 0.00 C ATOM 1324 CG LYS A 83 20.988 1.104 6.912 1.00 0.00 C ATOM 1325 CD LYS A 83 21.655 2.318 7.576 1.00 0.00 C ATOM 1326 CE LYS A 83 21.254 2.557 9.043 1.00 0.00 C ATOM 1327 NZ LYS A 83 19.851 3.007 9.216 1.00 0.00 N ATOM 1328 OXT LYS A 83 20.163 -3.080 8.557 1.00 0.00 O ATOM 0 H LYS A 83 18.718 -1.699 7.555 1.00 0.00 H new ATOM 0 HA LYS A 83 21.171 -1.431 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.691 -0.154 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 83 22.258 -0.347 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.381 0.993 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.919 1.294 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.737 2.192 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.411 3.209 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.401 1.635 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.921 3.303 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.458 2.592 10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.825 4.044 9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.285 2.701 8.399 1.00 0.00 H new TER 1342 LYS A 83