USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 560 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 30 LYS NZ :NH3+ -122:sc= -1.17 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= -2.19 K(o=-3.4,f=-2.3) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.479 X(o=-2.2,f=-2.2!) USER MOD Set 2.2: A 18 ASN : amide:sc= -1.68 K(o=-2.2,f=-0.93) USER MOD Single : A 1 LEU N :NH3+ 135:sc= -0.282 (180deg=-1.6!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.2!) USER MOD Single : A 8 ASN : amide:sc= -3.16! C(o=-3.2!,f=-3.6!) USER MOD Single : A 10 THR OG1 : rot 167:sc= -0.517 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.103 USER MOD Single : A 21 SER OG : rot -43:sc= 1.51 USER MOD Single : A 29 THR OG1 : rot -89:sc= 0.591 USER MOD Single : A 34 GLN : amide:sc= -0.673 X(o=-0.67,f=-0.72) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -5.15! C(o=-5.1!,f=-19!) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.0694 (180deg=-0.527) USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= 0.549 (180deg=-0.0641) USER MOD Single : A 44 HIS : no HD1:sc= -0.731 X(o=-0.73,f=-0.45) USER MOD Single : A 46 ASN : amide:sc= -4.7! C(o=-4.7!,f=-2.7!) USER MOD Single : A 48 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.56) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 52 THR OG1 : rot 92:sc= 0.522 USER MOD Single : A 57 ASN : amide:sc= -0.0926 X(o=-0.093,f=-0.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 61 TYR OH : rot 158:sc= -1.27 USER MOD Single : A 62 TYR OH : rot -133:sc= 0.42 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.0897 (180deg=-0.627) USER MOD Single : A 70 ASN : amide:sc= -3.07! C(o=-3.1!,f=-9.5!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.709 -12.469 -7.806 1.00 0.00 N ATOM 2 CA LEU A 1 4.588 -11.388 -8.337 1.00 0.00 C ATOM 3 C LEU A 1 4.800 -10.327 -7.255 1.00 0.00 C ATOM 4 O LEU A 1 3.881 -9.942 -6.559 1.00 0.00 O ATOM 5 CB LEU A 1 3.927 -10.750 -9.559 1.00 0.00 C ATOM 6 CG LEU A 1 2.578 -10.155 -9.155 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.767 -8.691 -8.762 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.605 -10.245 -10.334 1.00 0.00 C ATOM 0 H1 LEU A 1 2.988 -12.710 -8.516 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.283 -13.310 -7.595 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.242 -12.141 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 1 5.551 -11.809 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.571 -9.973 -9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.788 -11.496 -10.342 1.00 0.00 H new ATOM 0 HG LEU A 1 2.174 -10.711 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.806 -8.265 -8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.459 -8.626 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.170 -8.136 -9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.643 -9.821 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.007 -9.689 -11.181 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.471 -11.289 -10.616 1.00 0.00 H new ATOM 22 N GLN A 2 6.006 -9.850 -7.112 1.00 0.00 N ATOM 23 CA GLN A 2 6.283 -8.814 -6.080 1.00 0.00 C ATOM 24 C GLN A 2 5.879 -7.443 -6.611 1.00 0.00 C ATOM 25 O GLN A 2 5.608 -7.270 -7.779 1.00 0.00 O ATOM 26 CB GLN A 2 7.778 -8.815 -5.757 1.00 0.00 C ATOM 27 CG GLN A 2 8.035 -9.703 -4.539 1.00 0.00 C ATOM 28 CD GLN A 2 9.202 -10.648 -4.831 1.00 0.00 C ATOM 29 OE1 GLN A 2 9.391 -11.070 -5.954 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.996 -11.001 -3.858 1.00 0.00 N ATOM 0 H GLN A 2 6.813 -10.135 -7.667 1.00 0.00 H new ATOM 0 HA GLN A 2 5.711 -9.034 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.346 -9.180 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.119 -7.799 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.261 -9.087 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.140 -10.277 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.836 -10.646 -2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.776 -11.632 -4.040 1.00 0.00 H new ATOM 39 N CYS A 3 5.835 -6.471 -5.752 1.00 0.00 N ATOM 40 CA CYS A 3 5.454 -5.097 -6.184 1.00 0.00 C ATOM 41 C CYS A 3 5.822 -4.100 -5.088 1.00 0.00 C ATOM 42 O CYS A 3 5.903 -4.444 -3.925 1.00 0.00 O ATOM 43 CB CYS A 3 3.952 -5.038 -6.450 1.00 0.00 C ATOM 44 SG CYS A 3 3.631 -5.420 -8.189 1.00 0.00 S ATOM 0 H CYS A 3 6.048 -6.567 -4.759 1.00 0.00 H new ATOM 0 HA CYS A 3 5.989 -4.844 -7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.430 -5.748 -5.808 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.568 -4.047 -6.207 1.00 0.00 H new ATOM 49 N TYR A 4 6.051 -2.869 -5.447 1.00 0.00 N ATOM 50 CA TYR A 4 6.418 -1.853 -4.422 1.00 0.00 C ATOM 51 C TYR A 4 5.173 -1.451 -3.629 1.00 0.00 C ATOM 52 O TYR A 4 4.317 -0.739 -4.115 1.00 0.00 O ATOM 53 CB TYR A 4 6.999 -0.619 -5.117 1.00 0.00 C ATOM 54 CG TYR A 4 8.204 -1.017 -5.936 1.00 0.00 C ATOM 55 CD1 TYR A 4 9.111 -1.961 -5.439 1.00 0.00 C ATOM 56 CD2 TYR A 4 8.416 -0.437 -7.192 1.00 0.00 C ATOM 57 CE1 TYR A 4 10.231 -2.322 -6.197 1.00 0.00 C ATOM 58 CE2 TYR A 4 9.536 -0.800 -7.950 1.00 0.00 C ATOM 59 CZ TYR A 4 10.443 -1.742 -7.453 1.00 0.00 C ATOM 60 OH TYR A 4 11.547 -2.098 -8.202 1.00 0.00 O ATOM 0 H TYR A 4 6.000 -2.522 -6.405 1.00 0.00 H new ATOM 0 HA TYR A 4 7.159 -2.274 -3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.246 -0.163 -5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.282 0.129 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.946 -2.411 -4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.716 0.290 -7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.932 -3.048 -5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.700 -0.352 -8.919 1.00 0.00 H new ATOM 0 HH TYR A 4 11.542 -1.603 -9.048 1.00 0.00 H new ATOM 70 N ASN A 5 5.066 -1.899 -2.408 1.00 0.00 N ATOM 71 CA ASN A 5 3.879 -1.541 -1.580 1.00 0.00 C ATOM 72 C ASN A 5 4.322 -0.644 -0.422 1.00 0.00 C ATOM 73 O ASN A 5 5.261 -0.950 0.288 1.00 0.00 O ATOM 74 CB ASN A 5 3.242 -2.816 -1.025 1.00 0.00 C ATOM 75 CG ASN A 5 1.965 -3.134 -1.806 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.793 -2.683 -2.921 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.056 -3.898 -1.263 1.00 0.00 N ATOM 0 H ASN A 5 5.750 -2.499 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 5 3.151 -1.011 -2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.943 -3.647 -1.100 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.011 -2.689 0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.201 -4.116 -1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.201 -4.276 -0.327 1.00 0.00 H new ATOM 84 N CYS A 6 3.658 0.462 -0.224 1.00 0.00 N ATOM 85 CA CYS A 6 4.050 1.375 0.888 1.00 0.00 C ATOM 86 C CYS A 6 2.799 1.810 1.660 1.00 0.00 C ATOM 87 O CYS A 6 1.748 1.988 1.079 1.00 0.00 O ATOM 88 CB CYS A 6 4.748 2.615 0.317 1.00 0.00 C ATOM 89 SG CYS A 6 5.722 2.154 -1.139 1.00 0.00 S ATOM 0 H CYS A 6 2.863 0.773 -0.782 1.00 0.00 H new ATOM 0 HA CYS A 6 4.731 0.851 1.559 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.008 3.368 0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.395 3.060 1.073 1.00 0.00 H new ATOM 94 N PRO A 7 2.953 1.971 2.951 1.00 0.00 N ATOM 95 CA PRO A 7 1.854 2.390 3.837 1.00 0.00 C ATOM 96 C PRO A 7 1.624 3.900 3.723 1.00 0.00 C ATOM 97 O PRO A 7 0.667 4.434 4.246 1.00 0.00 O ATOM 98 CB PRO A 7 2.356 2.020 5.235 1.00 0.00 C ATOM 99 CG PRO A 7 3.899 1.943 5.137 1.00 0.00 C ATOM 100 CD PRO A 7 4.238 1.749 3.647 1.00 0.00 C ATOM 0 HA PRO A 7 0.903 1.917 3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.050 2.766 5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.939 1.066 5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.357 2.854 5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.284 1.115 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.998 2.457 3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.628 0.750 3.454 1.00 0.00 H new ATOM 108 N ASN A 8 2.496 4.592 3.038 1.00 0.00 N ATOM 109 CA ASN A 8 2.328 6.065 2.887 1.00 0.00 C ATOM 110 C ASN A 8 2.357 6.428 1.400 1.00 0.00 C ATOM 111 O ASN A 8 3.129 5.869 0.645 1.00 0.00 O ATOM 112 CB ASN A 8 3.469 6.786 3.609 1.00 0.00 C ATOM 113 CG ASN A 8 3.280 8.298 3.481 1.00 0.00 C ATOM 114 OD1 ASN A 8 2.619 8.910 4.296 1.00 0.00 O ATOM 115 ND2 ASN A 8 3.836 8.931 2.483 1.00 0.00 N ATOM 0 H ASN A 8 3.317 4.200 2.577 1.00 0.00 H new ATOM 0 HA ASN A 8 1.375 6.370 3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.487 6.499 4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.427 6.491 3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.715 9.939 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.391 8.417 1.799 1.00 0.00 H new ATOM 122 N PRO A 9 1.512 7.354 1.019 1.00 0.00 N ATOM 123 CA PRO A 9 1.419 7.811 -0.376 1.00 0.00 C ATOM 124 C PRO A 9 2.570 8.760 -0.702 1.00 0.00 C ATOM 125 O PRO A 9 2.429 9.966 -0.674 1.00 0.00 O ATOM 126 CB PRO A 9 0.069 8.535 -0.430 1.00 0.00 C ATOM 127 CG PRO A 9 -0.263 8.943 1.027 1.00 0.00 C ATOM 128 CD PRO A 9 0.576 8.031 1.942 1.00 0.00 C ATOM 0 HA PRO A 9 1.485 7.000 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.123 9.411 -1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.705 7.885 -0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.022 9.992 1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.327 8.822 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.109 8.607 2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.050 7.313 2.471 1.00 0.00 H new ATOM 136 N THR A 10 3.710 8.215 -1.014 1.00 0.00 N ATOM 137 CA THR A 10 4.884 9.070 -1.348 1.00 0.00 C ATOM 138 C THR A 10 5.154 9.000 -2.853 1.00 0.00 C ATOM 139 O THR A 10 4.847 8.020 -3.504 1.00 0.00 O ATOM 140 CB THR A 10 6.113 8.570 -0.583 1.00 0.00 C ATOM 141 OG1 THR A 10 7.290 9.047 -1.219 1.00 0.00 O ATOM 142 CG2 THR A 10 6.122 7.042 -0.570 1.00 0.00 C ATOM 0 H THR A 10 3.882 7.210 -1.053 1.00 0.00 H new ATOM 0 HA THR A 10 4.676 10.102 -1.065 1.00 0.00 H new ATOM 0 HB THR A 10 6.078 8.939 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.060 8.910 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.997 6.688 -0.025 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.218 6.677 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.157 6.670 -1.594 1.00 0.00 H new ATOM 150 N ALA A 11 5.727 10.031 -3.412 1.00 0.00 N ATOM 151 CA ALA A 11 6.013 10.022 -4.875 1.00 0.00 C ATOM 152 C ALA A 11 7.464 9.593 -5.107 1.00 0.00 C ATOM 153 O ALA A 11 8.129 10.075 -6.004 1.00 0.00 O ATOM 154 CB ALA A 11 5.797 11.425 -5.444 1.00 0.00 C ATOM 0 H ALA A 11 6.009 10.878 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 11 5.343 9.321 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.006 11.420 -6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.764 11.730 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.467 12.126 -4.947 1.00 0.00 H new ATOM 160 N ASP A 12 7.961 8.690 -4.306 1.00 0.00 N ATOM 161 CA ASP A 12 9.368 8.229 -4.480 1.00 0.00 C ATOM 162 C ASP A 12 9.612 7.001 -3.602 1.00 0.00 C ATOM 163 O ASP A 12 10.685 6.816 -3.063 1.00 0.00 O ATOM 164 CB ASP A 12 10.332 9.347 -4.071 1.00 0.00 C ATOM 165 CG ASP A 12 9.699 10.196 -2.966 1.00 0.00 C ATOM 166 OD1 ASP A 12 9.638 9.721 -1.843 1.00 0.00 O ATOM 167 OD2 ASP A 12 9.285 11.304 -3.262 1.00 0.00 O ATOM 0 H ASP A 12 7.453 8.251 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 12 9.537 7.971 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.272 8.920 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.567 9.971 -4.933 1.00 0.00 H new ATOM 172 N CYS A 13 8.626 6.161 -3.454 1.00 0.00 N ATOM 173 CA CYS A 13 8.806 4.947 -2.608 1.00 0.00 C ATOM 174 C CYS A 13 9.907 4.068 -3.202 1.00 0.00 C ATOM 175 O CYS A 13 10.426 4.340 -4.267 1.00 0.00 O ATOM 176 CB CYS A 13 7.496 4.157 -2.553 1.00 0.00 C ATOM 177 SG CYS A 13 7.402 3.265 -0.981 1.00 0.00 S ATOM 0 H CYS A 13 7.705 6.262 -3.881 1.00 0.00 H new ATOM 0 HA CYS A 13 9.087 5.250 -1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.646 4.832 -2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.445 3.456 -3.386 1.00 0.00 H new ATOM 182 N LYS A 14 10.268 3.017 -2.521 1.00 0.00 N ATOM 183 CA LYS A 14 11.336 2.118 -3.039 1.00 0.00 C ATOM 184 C LYS A 14 11.403 0.865 -2.165 1.00 0.00 C ATOM 185 O LYS A 14 12.467 0.363 -1.861 1.00 0.00 O ATOM 186 CB LYS A 14 12.682 2.846 -2.989 1.00 0.00 C ATOM 187 CG LYS A 14 13.148 3.169 -4.412 1.00 0.00 C ATOM 188 CD LYS A 14 14.591 3.676 -4.375 1.00 0.00 C ATOM 189 CE LYS A 14 15.150 3.734 -5.797 1.00 0.00 C ATOM 190 NZ LYS A 14 16.524 4.314 -5.769 1.00 0.00 N ATOM 0 H LYS A 14 9.868 2.741 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 14 11.114 1.837 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.588 3.764 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.423 2.226 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.080 2.280 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.498 3.923 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.628 4.665 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.203 3.017 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.175 2.734 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.501 4.340 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.904 4.353 -6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.487 5.275 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.140 3.719 -5.179 1.00 0.00 H new ATOM 204 N THR A 15 10.274 0.359 -1.751 1.00 0.00 N ATOM 205 CA THR A 15 10.273 -0.856 -0.890 1.00 0.00 C ATOM 206 C THR A 15 9.661 -2.034 -1.653 1.00 0.00 C ATOM 207 O THR A 15 8.503 -2.014 -2.018 1.00 0.00 O ATOM 208 CB THR A 15 9.448 -0.582 0.371 1.00 0.00 C ATOM 209 OG1 THR A 15 9.513 -1.709 1.233 1.00 0.00 O ATOM 210 CG2 THR A 15 7.992 -0.318 -0.019 1.00 0.00 C ATOM 0 H THR A 15 9.352 0.735 -1.972 1.00 0.00 H new ATOM 0 HA THR A 15 11.298 -1.102 -0.613 1.00 0.00 H new ATOM 0 HB THR A 15 9.849 0.291 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.987 -1.534 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.405 -0.123 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.944 0.548 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.589 -1.190 -0.534 1.00 0.00 H new ATOM 218 N ALA A 16 10.430 -3.059 -1.896 1.00 0.00 N ATOM 219 CA ALA A 16 9.892 -4.238 -2.633 1.00 0.00 C ATOM 220 C ALA A 16 9.181 -5.172 -1.651 1.00 0.00 C ATOM 221 O ALA A 16 9.786 -5.716 -0.749 1.00 0.00 O ATOM 222 CB ALA A 16 11.043 -4.988 -3.307 1.00 0.00 C ATOM 0 H ALA A 16 11.408 -3.132 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 16 9.185 -3.901 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.650 -5.850 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.550 -4.323 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.750 -5.326 -2.549 1.00 0.00 H new ATOM 228 N VAL A 17 7.901 -5.361 -1.818 1.00 0.00 N ATOM 229 CA VAL A 17 7.152 -6.259 -0.894 1.00 0.00 C ATOM 230 C VAL A 17 6.493 -7.379 -1.702 1.00 0.00 C ATOM 231 O VAL A 17 6.040 -7.172 -2.808 1.00 0.00 O ATOM 232 CB VAL A 17 6.077 -5.453 -0.163 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.630 -6.210 1.089 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.649 -4.093 0.243 1.00 0.00 C ATOM 0 H VAL A 17 7.341 -4.932 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 17 7.838 -6.691 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 17 5.222 -5.308 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.864 -5.634 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.223 -7.179 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.484 -6.357 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.884 -3.517 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.504 -4.240 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.967 -3.551 -0.648 1.00 0.00 H new ATOM 244 N ASN A 18 6.433 -8.564 -1.159 1.00 0.00 N ATOM 245 CA ASN A 18 5.799 -9.691 -1.907 1.00 0.00 C ATOM 246 C ASN A 18 4.320 -9.778 -1.530 1.00 0.00 C ATOM 247 O ASN A 18 3.962 -10.298 -0.491 1.00 0.00 O ATOM 248 CB ASN A 18 6.483 -11.031 -1.576 1.00 0.00 C ATOM 249 CG ASN A 18 7.599 -10.838 -0.543 1.00 0.00 C ATOM 250 OD1 ASN A 18 7.541 -11.363 0.552 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.613 -10.091 -0.882 1.00 0.00 N ATOM 0 H ASN A 18 6.793 -8.802 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 18 5.909 -9.500 -2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.745 -11.735 -1.192 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.896 -11.467 -2.486 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.377 -9.938 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.642 -9.660 -1.806 1.00 0.00 H new ATOM 257 N CYS A 19 3.457 -9.275 -2.368 1.00 0.00 N ATOM 258 CA CYS A 19 2.000 -9.329 -2.062 1.00 0.00 C ATOM 259 C CYS A 19 1.588 -10.781 -1.810 1.00 0.00 C ATOM 260 O CYS A 19 1.637 -11.266 -0.697 1.00 0.00 O ATOM 261 CB CYS A 19 1.210 -8.771 -3.247 1.00 0.00 C ATOM 262 SG CYS A 19 0.870 -7.014 -2.973 1.00 0.00 S ATOM 0 H CYS A 19 3.698 -8.828 -3.253 1.00 0.00 H new ATOM 0 HA CYS A 19 1.791 -8.732 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.776 -8.903 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.275 -9.319 -3.365 1.00 0.00 H new ATOM 267 N SER A 20 1.184 -11.480 -2.835 1.00 0.00 N ATOM 268 CA SER A 20 0.772 -12.901 -2.652 1.00 0.00 C ATOM 269 C SER A 20 -0.436 -12.965 -1.716 1.00 0.00 C ATOM 270 O SER A 20 -0.487 -12.291 -0.706 1.00 0.00 O ATOM 271 CB SER A 20 1.931 -13.692 -2.042 1.00 0.00 C ATOM 272 OG SER A 20 3.163 -13.160 -2.513 1.00 0.00 O ATOM 0 H SER A 20 1.121 -11.129 -3.791 1.00 0.00 H new ATOM 0 HA SER A 20 0.506 -13.330 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.891 -13.638 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.850 -14.745 -2.312 1.00 0.00 H new ATOM 0 HG SER A 20 3.907 -13.664 -2.122 1.00 0.00 H new ATOM 278 N SER A 21 -1.410 -13.771 -2.044 1.00 0.00 N ATOM 279 CA SER A 21 -2.615 -13.880 -1.175 1.00 0.00 C ATOM 280 C SER A 21 -3.525 -12.671 -1.405 1.00 0.00 C ATOM 281 O SER A 21 -3.210 -11.562 -1.022 1.00 0.00 O ATOM 282 CB SER A 21 -2.187 -13.925 0.295 1.00 0.00 C ATOM 283 OG SER A 21 -2.322 -12.630 0.865 1.00 0.00 O ATOM 0 H SER A 21 -1.422 -14.359 -2.877 1.00 0.00 H new ATOM 0 HA SER A 21 -3.156 -14.793 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.800 -14.641 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.154 -14.264 0.374 1.00 0.00 H new ATOM 0 HG SER A 21 -1.982 -11.959 0.237 1.00 0.00 H new ATOM 289 N ASP A 22 -4.653 -12.880 -2.028 1.00 0.00 N ATOM 290 CA ASP A 22 -5.590 -11.748 -2.285 1.00 0.00 C ATOM 291 C ASP A 22 -4.889 -10.672 -3.115 1.00 0.00 C ATOM 292 O ASP A 22 -5.141 -9.494 -2.961 1.00 0.00 O ATOM 293 CB ASP A 22 -6.042 -11.148 -0.952 1.00 0.00 C ATOM 294 CG ASP A 22 -7.546 -11.363 -0.780 1.00 0.00 C ATOM 295 OD1 ASP A 22 -8.275 -11.081 -1.717 1.00 0.00 O ATOM 296 OD2 ASP A 22 -7.945 -11.806 0.285 1.00 0.00 O ATOM 0 H ASP A 22 -4.967 -13.788 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.457 -12.117 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.501 -11.614 -0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.810 -10.083 -0.923 1.00 0.00 H new ATOM 301 N PHE A 23 -4.015 -11.067 -3.999 1.00 0.00 N ATOM 302 CA PHE A 23 -3.303 -10.066 -4.843 1.00 0.00 C ATOM 303 C PHE A 23 -3.099 -10.643 -6.244 1.00 0.00 C ATOM 304 O PHE A 23 -2.337 -11.569 -6.438 1.00 0.00 O ATOM 305 CB PHE A 23 -1.942 -9.746 -4.220 1.00 0.00 C ATOM 306 CG PHE A 23 -2.142 -9.190 -2.832 1.00 0.00 C ATOM 307 CD1 PHE A 23 -3.003 -8.104 -2.631 1.00 0.00 C ATOM 308 CD2 PHE A 23 -1.469 -9.759 -1.744 1.00 0.00 C ATOM 309 CE1 PHE A 23 -3.192 -7.588 -1.344 1.00 0.00 C ATOM 310 CE2 PHE A 23 -1.658 -9.244 -0.457 1.00 0.00 C ATOM 311 CZ PHE A 23 -2.519 -8.159 -0.256 1.00 0.00 C ATOM 0 H PHE A 23 -3.763 -12.040 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.895 -9.153 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.329 -10.646 -4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.408 -9.025 -4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.522 -7.664 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.804 -10.596 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.856 -6.750 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.139 -9.684 0.382 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.665 -7.762 0.738 1.00 0.00 H new ATOM 321 N ASP A 24 -3.777 -10.111 -7.224 1.00 0.00 N ATOM 322 CA ASP A 24 -3.619 -10.644 -8.606 1.00 0.00 C ATOM 323 C ASP A 24 -3.311 -9.506 -9.584 1.00 0.00 C ATOM 324 O ASP A 24 -2.880 -9.738 -10.696 1.00 0.00 O ATOM 325 CB ASP A 24 -4.913 -11.345 -9.032 1.00 0.00 C ATOM 326 CG ASP A 24 -6.090 -10.377 -8.895 1.00 0.00 C ATOM 327 OD1 ASP A 24 -5.844 -9.188 -8.776 1.00 0.00 O ATOM 328 OD2 ASP A 24 -7.217 -10.842 -8.912 1.00 0.00 O ATOM 0 H ASP A 24 -4.431 -9.334 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.792 -11.354 -8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.830 -11.689 -10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.081 -12.227 -8.414 1.00 0.00 H new ATOM 333 N ALA A 25 -3.527 -8.279 -9.191 1.00 0.00 N ATOM 334 CA ALA A 25 -3.242 -7.148 -10.119 1.00 0.00 C ATOM 335 C ALA A 25 -2.579 -6.001 -9.355 1.00 0.00 C ATOM 336 O ALA A 25 -3.220 -5.292 -8.606 1.00 0.00 O ATOM 337 CB ALA A 25 -4.552 -6.653 -10.735 1.00 0.00 C ATOM 0 H ALA A 25 -3.886 -8.013 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.571 -7.492 -10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.345 -5.826 -11.414 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.025 -7.466 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.221 -6.314 -9.944 1.00 0.00 H new ATOM 343 N CYS A 26 -1.304 -5.796 -9.548 1.00 0.00 N ATOM 344 CA CYS A 26 -0.624 -4.678 -8.839 1.00 0.00 C ATOM 345 C CYS A 26 -1.273 -3.369 -9.276 1.00 0.00 C ATOM 346 O CYS A 26 -1.884 -3.291 -10.322 1.00 0.00 O ATOM 347 CB CYS A 26 0.866 -4.677 -9.184 1.00 0.00 C ATOM 348 SG CYS A 26 1.690 -5.972 -8.225 1.00 0.00 S ATOM 0 H CYS A 26 -0.708 -6.351 -10.162 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.724 -4.796 -7.760 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.006 -4.851 -10.251 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.304 -3.705 -8.959 1.00 0.00 H new ATOM 353 N LEU A 27 -1.177 -2.349 -8.479 1.00 0.00 N ATOM 354 CA LEU A 27 -1.830 -1.069 -8.863 1.00 0.00 C ATOM 355 C LEU A 27 -0.844 0.096 -8.782 1.00 0.00 C ATOM 356 O LEU A 27 -0.199 0.319 -7.777 1.00 0.00 O ATOM 357 CB LEU A 27 -3.004 -0.814 -7.918 1.00 0.00 C ATOM 358 CG LEU A 27 -3.620 0.553 -8.207 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.842 0.375 -9.110 1.00 0.00 C ATOM 360 CD2 LEU A 27 -4.047 1.198 -6.886 1.00 0.00 C ATOM 0 H LEU A 27 -0.681 -2.342 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.180 -1.145 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.756 -1.594 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.665 -0.858 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.891 1.191 -8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.285 1.349 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.538 -0.093 -10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.575 -0.257 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.488 2.175 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.781 0.562 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.176 1.317 -6.241 1.00 0.00 H new ATOM 372 N ILE A 28 -0.753 0.857 -9.837 1.00 0.00 N ATOM 373 CA ILE A 28 0.154 2.034 -9.847 1.00 0.00 C ATOM 374 C ILE A 28 -0.668 3.259 -10.245 1.00 0.00 C ATOM 375 O ILE A 28 -0.837 3.556 -11.412 1.00 0.00 O ATOM 376 CB ILE A 28 1.281 1.814 -10.859 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.173 3.056 -10.905 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.682 1.564 -12.245 1.00 0.00 C ATOM 379 CD1 ILE A 28 2.984 3.152 -9.610 1.00 0.00 C ATOM 0 H ILE A 28 -1.275 0.710 -10.701 1.00 0.00 H new ATOM 0 HA ILE A 28 0.598 2.178 -8.862 1.00 0.00 H new ATOM 0 HB ILE A 28 1.875 0.950 -10.560 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.843 3.004 -11.763 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.563 3.950 -11.031 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.485 1.407 -12.965 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.046 0.679 -12.212 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.088 2.427 -12.546 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.619 4.037 -9.643 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.305 3.224 -8.760 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.606 2.263 -9.503 1.00 0.00 H new ATOM 391 N THR A 29 -1.206 3.954 -9.282 1.00 0.00 N ATOM 392 CA THR A 29 -2.046 5.143 -9.592 1.00 0.00 C ATOM 393 C THR A 29 -1.214 6.421 -9.470 1.00 0.00 C ATOM 394 O THR A 29 -0.232 6.475 -8.757 1.00 0.00 O ATOM 395 CB THR A 29 -3.220 5.189 -8.610 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.177 4.201 -8.978 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.871 6.573 -8.635 1.00 0.00 C ATOM 0 H THR A 29 -1.099 3.748 -8.289 1.00 0.00 H new ATOM 0 HA THR A 29 -2.421 5.070 -10.613 1.00 0.00 H new ATOM 0 HB THR A 29 -2.856 4.990 -7.602 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.817 4.586 -9.612 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.705 6.596 -7.933 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.136 7.326 -8.350 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.236 6.785 -9.640 1.00 0.00 H new ATOM 405 N LYS A 30 -1.611 7.453 -10.165 1.00 0.00 N ATOM 406 CA LYS A 30 -0.861 8.738 -10.100 1.00 0.00 C ATOM 407 C LYS A 30 -1.856 9.897 -10.013 1.00 0.00 C ATOM 408 O LYS A 30 -2.267 10.452 -11.013 1.00 0.00 O ATOM 409 CB LYS A 30 -0.007 8.893 -11.360 1.00 0.00 C ATOM 410 CG LYS A 30 1.322 8.159 -11.172 1.00 0.00 C ATOM 411 CD LYS A 30 2.418 8.885 -11.953 1.00 0.00 C ATOM 412 CE LYS A 30 2.966 7.961 -13.041 1.00 0.00 C ATOM 413 NZ LYS A 30 4.455 8.034 -13.048 1.00 0.00 N ATOM 0 H LYS A 30 -2.427 7.460 -10.778 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.215 8.742 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.537 8.491 -12.223 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.174 9.949 -11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.581 8.118 -10.114 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.234 7.130 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.018 9.795 -12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.220 9.187 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.642 6.936 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.572 8.253 -14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.783 8.334 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.772 8.721 -12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.850 7.098 -12.826 1.00 0.00 H new ATOM 427 N ALA A 31 -2.253 10.261 -8.826 1.00 0.00 N ATOM 428 CA ALA A 31 -3.227 11.378 -8.674 1.00 0.00 C ATOM 429 C ALA A 31 -2.521 12.604 -8.089 1.00 0.00 C ATOM 430 O ALA A 31 -1.642 12.487 -7.257 1.00 0.00 O ATOM 431 CB ALA A 31 -4.355 10.944 -7.736 1.00 0.00 C ATOM 0 H ALA A 31 -1.945 9.833 -7.953 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.640 11.632 -9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.069 11.760 -7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.861 10.074 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.940 10.688 -6.761 1.00 0.00 H new ATOM 437 N GLY A 32 -2.902 13.778 -8.513 1.00 0.00 N ATOM 438 CA GLY A 32 -2.258 15.014 -7.979 1.00 0.00 C ATOM 439 C GLY A 32 -0.739 14.837 -7.950 1.00 0.00 C ATOM 440 O GLY A 32 -0.172 14.109 -8.741 1.00 0.00 O ATOM 0 H GLY A 32 -3.632 13.936 -9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.522 15.870 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.628 15.223 -6.975 1.00 0.00 H new ATOM 444 N LEU A 33 -0.073 15.502 -7.044 1.00 0.00 N ATOM 445 CA LEU A 33 1.409 15.378 -6.962 1.00 0.00 C ATOM 446 C LEU A 33 1.772 14.141 -6.139 1.00 0.00 C ATOM 447 O LEU A 33 2.920 13.753 -6.057 1.00 0.00 O ATOM 448 CB LEU A 33 1.989 16.626 -6.291 1.00 0.00 C ATOM 449 CG LEU A 33 3.199 17.118 -7.086 1.00 0.00 C ATOM 450 CD1 LEU A 33 2.779 17.412 -8.526 1.00 0.00 C ATOM 451 CD2 LEU A 33 3.745 18.395 -6.444 1.00 0.00 C ATOM 0 H LEU A 33 -0.494 16.127 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 33 1.822 15.280 -7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.232 17.409 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.282 16.398 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 33 3.972 16.349 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.642 17.763 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.389 16.503 -8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.006 18.180 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.608 18.747 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.972 19.163 -6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.045 18.186 -5.417 1.00 0.00 H new ATOM 463 N GLN A 34 0.802 13.518 -5.527 1.00 0.00 N ATOM 464 CA GLN A 34 1.093 12.309 -4.711 1.00 0.00 C ATOM 465 C GLN A 34 0.989 11.062 -5.592 1.00 0.00 C ATOM 466 O GLN A 34 0.423 11.095 -6.666 1.00 0.00 O ATOM 467 CB GLN A 34 0.079 12.212 -3.569 1.00 0.00 C ATOM 468 CG GLN A 34 0.333 13.333 -2.559 1.00 0.00 C ATOM 469 CD GLN A 34 -0.379 14.607 -3.017 1.00 0.00 C ATOM 470 OE1 GLN A 34 -1.591 14.646 -3.089 1.00 0.00 O ATOM 471 NE2 GLN A 34 0.327 15.658 -3.331 1.00 0.00 N ATOM 0 H GLN A 34 -0.179 13.795 -5.558 1.00 0.00 H new ATOM 0 HA GLN A 34 2.100 12.380 -4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.935 12.286 -3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.160 11.242 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.027 13.037 -1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.403 13.516 -2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.345 15.625 -3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.139 16.512 -3.637 1.00 0.00 H new ATOM 480 N VAL A 35 1.530 9.962 -5.146 1.00 0.00 N ATOM 481 CA VAL A 35 1.459 8.714 -5.958 1.00 0.00 C ATOM 482 C VAL A 35 0.878 7.588 -5.098 1.00 0.00 C ATOM 483 O VAL A 35 0.808 7.693 -3.889 1.00 0.00 O ATOM 484 CB VAL A 35 2.863 8.329 -6.432 1.00 0.00 C ATOM 485 CG1 VAL A 35 2.848 6.895 -6.964 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.299 9.280 -7.550 1.00 0.00 C ATOM 0 H VAL A 35 2.018 9.873 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 35 0.821 8.877 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 35 3.560 8.400 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.848 6.622 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.534 6.216 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.151 6.824 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.298 9.008 -7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.600 9.207 -8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.309 10.303 -7.174 1.00 0.00 H new ATOM 496 N TYR A 36 0.458 6.514 -5.708 1.00 0.00 N ATOM 497 CA TYR A 36 -0.121 5.391 -4.916 1.00 0.00 C ATOM 498 C TYR A 36 0.393 4.055 -5.458 1.00 0.00 C ATOM 499 O TYR A 36 0.192 3.719 -6.609 1.00 0.00 O ATOM 500 CB TYR A 36 -1.647 5.428 -5.022 1.00 0.00 C ATOM 501 CG TYR A 36 -2.172 6.662 -4.326 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.098 7.908 -4.961 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.734 6.559 -3.048 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.587 9.052 -4.316 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.222 7.704 -2.404 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.148 8.949 -3.039 1.00 0.00 C ATOM 507 OH TYR A 36 -3.631 10.077 -2.404 1.00 0.00 O ATOM 0 H TYR A 36 0.490 6.365 -6.717 1.00 0.00 H new ATOM 0 HA TYR A 36 0.178 5.495 -3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.949 5.432 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.075 4.533 -4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.664 7.987 -5.947 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.791 5.598 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.531 10.013 -4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.655 7.626 -1.418 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.988 9.830 -1.525 1.00 0.00 H new ATOM 517 N ASN A 37 1.052 3.287 -4.634 1.00 0.00 N ATOM 518 CA ASN A 37 1.576 1.969 -5.090 1.00 0.00 C ATOM 519 C ASN A 37 1.076 0.878 -4.145 1.00 0.00 C ATOM 520 O ASN A 37 1.721 0.543 -3.171 1.00 0.00 O ATOM 521 CB ASN A 37 3.105 1.994 -5.078 1.00 0.00 C ATOM 522 CG ASN A 37 3.602 3.175 -5.911 1.00 0.00 C ATOM 523 OD1 ASN A 37 2.884 4.133 -6.116 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.809 3.147 -6.404 1.00 0.00 N ATOM 0 H ASN A 37 1.251 3.517 -3.660 1.00 0.00 H new ATOM 0 HA ASN A 37 1.228 1.766 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.470 2.078 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.498 1.060 -5.481 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.150 3.930 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.412 2.342 -6.232 1.00 0.00 H new ATOM 531 N LYS A 38 -0.073 0.325 -4.418 1.00 0.00 N ATOM 532 CA LYS A 38 -0.617 -0.739 -3.527 1.00 0.00 C ATOM 533 C LYS A 38 -1.140 -1.901 -4.366 1.00 0.00 C ATOM 534 O LYS A 38 -1.362 -1.778 -5.554 1.00 0.00 O ATOM 535 CB LYS A 38 -1.763 -0.165 -2.691 1.00 0.00 C ATOM 536 CG LYS A 38 -1.310 1.135 -2.022 1.00 0.00 C ATOM 537 CD LYS A 38 -2.252 2.271 -2.423 1.00 0.00 C ATOM 538 CE LYS A 38 -3.231 2.551 -1.281 1.00 0.00 C ATOM 539 NZ LYS A 38 -2.492 3.138 -0.126 1.00 0.00 N ATOM 0 H LYS A 38 -0.659 0.563 -5.218 1.00 0.00 H new ATOM 0 HA LYS A 38 0.176 -1.096 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.630 0.023 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.072 -0.887 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.307 1.017 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.289 1.373 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.678 3.169 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.799 2.002 -3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.010 3.237 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.727 1.629 -0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.128 3.758 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.147 2.374 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.684 3.692 -0.476 1.00 0.00 H new ATOM 553 N CYS A 39 -1.342 -3.027 -3.749 1.00 0.00 N ATOM 554 CA CYS A 39 -1.859 -4.208 -4.493 1.00 0.00 C ATOM 555 C CYS A 39 -3.354 -4.013 -4.745 1.00 0.00 C ATOM 556 O CYS A 39 -4.051 -3.412 -3.952 1.00 0.00 O ATOM 557 CB CYS A 39 -1.641 -5.475 -3.662 1.00 0.00 C ATOM 558 SG CYS A 39 -0.398 -6.516 -4.466 1.00 0.00 S ATOM 0 H CYS A 39 -1.171 -3.183 -2.756 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.331 -4.309 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.315 -5.211 -2.656 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.578 -6.022 -3.560 1.00 0.00 H new ATOM 563 N TRP A 40 -3.854 -4.495 -5.848 1.00 0.00 N ATOM 564 CA TRP A 40 -5.295 -4.313 -6.143 1.00 0.00 C ATOM 565 C TRP A 40 -5.817 -5.516 -6.932 1.00 0.00 C ATOM 566 O TRP A 40 -5.066 -6.237 -7.560 1.00 0.00 O ATOM 567 CB TRP A 40 -5.456 -3.041 -6.970 1.00 0.00 C ATOM 568 CG TRP A 40 -6.802 -2.456 -6.729 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.939 -2.881 -7.309 1.00 0.00 C ATOM 570 CD2 TRP A 40 -7.169 -1.350 -5.859 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.991 -2.105 -6.853 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.564 -1.145 -5.955 1.00 0.00 C ATOM 573 CE3 TRP A 40 -6.430 -0.514 -5.005 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -9.207 -0.142 -5.227 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -7.071 0.496 -4.270 1.00 0.00 C ATOM 576 CH2 TRP A 40 -8.457 0.682 -4.381 1.00 0.00 C ATOM 0 H TRP A 40 -3.325 -5.006 -6.555 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.863 -4.232 -5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.682 -2.321 -6.703 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.330 -3.266 -8.029 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -8.018 -3.695 -8.015 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.961 -2.227 -7.144 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.362 -0.649 -4.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.274 -0.003 -5.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.494 1.133 -3.616 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.945 1.461 -3.814 1.00 0.00 H new ATOM 587 N LYS A 41 -7.103 -5.739 -6.907 1.00 0.00 N ATOM 588 CA LYS A 41 -7.672 -6.891 -7.659 1.00 0.00 C ATOM 589 C LYS A 41 -7.906 -6.473 -9.111 1.00 0.00 C ATOM 590 O LYS A 41 -8.052 -5.305 -9.411 1.00 0.00 O ATOM 591 CB LYS A 41 -9.001 -7.308 -7.024 1.00 0.00 C ATOM 592 CG LYS A 41 -8.905 -8.755 -6.539 1.00 0.00 C ATOM 593 CD LYS A 41 -8.786 -8.776 -5.014 1.00 0.00 C ATOM 594 CE LYS A 41 -7.954 -9.983 -4.582 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.821 -11.192 -4.537 1.00 0.00 N ATOM 0 H LYS A 41 -7.783 -5.173 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.979 -7.732 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.240 -6.649 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.809 -7.209 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.786 -9.314 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.041 -9.244 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.320 -7.856 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.777 -8.824 -4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.130 -10.139 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.513 -9.802 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.893 -11.531 -3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.769 -10.953 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.408 -11.938 -5.132 1.00 0.00 H new ATOM 609 N PHE A 42 -7.945 -7.412 -10.016 1.00 0.00 N ATOM 610 CA PHE A 42 -8.174 -7.051 -11.440 1.00 0.00 C ATOM 611 C PHE A 42 -9.667 -6.820 -11.661 1.00 0.00 C ATOM 612 O PHE A 42 -10.075 -6.211 -12.629 1.00 0.00 O ATOM 613 CB PHE A 42 -7.688 -8.184 -12.347 1.00 0.00 C ATOM 614 CG PHE A 42 -6.535 -7.691 -13.190 1.00 0.00 C ATOM 615 CD1 PHE A 42 -6.597 -6.426 -13.788 1.00 0.00 C ATOM 616 CD2 PHE A 42 -5.404 -8.497 -13.372 1.00 0.00 C ATOM 617 CE1 PHE A 42 -5.529 -5.968 -14.569 1.00 0.00 C ATOM 618 CE2 PHE A 42 -4.336 -8.038 -14.153 1.00 0.00 C ATOM 619 CZ PHE A 42 -4.399 -6.775 -14.751 1.00 0.00 C ATOM 0 H PHE A 42 -7.829 -8.408 -9.831 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.621 -6.143 -11.681 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.375 -9.037 -11.746 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.501 -8.527 -12.987 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.468 -5.804 -13.647 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.356 -9.472 -12.910 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.577 -4.993 -15.031 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.464 -8.659 -14.294 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.575 -6.422 -15.354 1.00 0.00 H new ATOM 629 N GLU A 43 -10.485 -7.300 -10.765 1.00 0.00 N ATOM 630 CA GLU A 43 -11.951 -7.103 -10.921 1.00 0.00 C ATOM 631 C GLU A 43 -12.328 -5.717 -10.397 1.00 0.00 C ATOM 632 O GLU A 43 -13.296 -5.121 -10.824 1.00 0.00 O ATOM 633 CB GLU A 43 -12.704 -8.175 -10.129 1.00 0.00 C ATOM 634 CG GLU A 43 -14.177 -8.175 -10.543 1.00 0.00 C ATOM 635 CD GLU A 43 -14.280 -8.343 -12.060 1.00 0.00 C ATOM 636 OE1 GLU A 43 -14.312 -9.476 -12.511 1.00 0.00 O ATOM 637 OE2 GLU A 43 -14.325 -7.334 -12.746 1.00 0.00 O ATOM 0 H GLU A 43 -10.201 -7.819 -9.934 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.221 -7.184 -11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.264 -9.155 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.616 -7.982 -9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.707 -8.984 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.652 -7.243 -10.236 1.00 0.00 H new ATOM 644 N HIS A 44 -11.562 -5.199 -9.477 1.00 0.00 N ATOM 645 CA HIS A 44 -11.864 -3.850 -8.926 1.00 0.00 C ATOM 646 C HIS A 44 -10.960 -2.820 -9.605 1.00 0.00 C ATOM 647 O HIS A 44 -10.801 -1.711 -9.133 1.00 0.00 O ATOM 648 CB HIS A 44 -11.603 -3.842 -7.419 1.00 0.00 C ATOM 649 CG HIS A 44 -12.472 -4.873 -6.755 1.00 0.00 C ATOM 650 ND1 HIS A 44 -12.404 -5.129 -5.393 1.00 0.00 N ATOM 651 CD2 HIS A 44 -13.433 -5.719 -7.248 1.00 0.00 C ATOM 652 CE1 HIS A 44 -13.300 -6.095 -5.119 1.00 0.00 C ATOM 653 NE2 HIS A 44 -13.955 -6.490 -6.213 1.00 0.00 N ATOM 0 H HIS A 44 -10.738 -5.654 -9.083 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.909 -3.603 -9.111 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.552 -4.053 -7.220 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.813 -2.855 -7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.738 -5.778 -8.282 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.469 -6.502 -4.133 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -14.681 -7.203 -6.277 1.00 0.00 H new ATOM 661 N CYS A 45 -10.361 -3.181 -10.708 1.00 0.00 N ATOM 662 CA CYS A 45 -9.463 -2.223 -11.414 1.00 0.00 C ATOM 663 C CYS A 45 -10.257 -1.471 -12.484 1.00 0.00 C ATOM 664 O CYS A 45 -10.318 -1.879 -13.627 1.00 0.00 O ATOM 665 CB CYS A 45 -8.315 -2.991 -12.073 1.00 0.00 C ATOM 666 SG CYS A 45 -6.943 -1.859 -12.407 1.00 0.00 S ATOM 0 H CYS A 45 -10.455 -4.096 -11.150 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.057 -1.510 -10.697 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.983 -3.799 -11.421 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.656 -3.450 -13.001 1.00 0.00 H new ATOM 671 N ASN A 46 -10.864 -0.375 -12.124 1.00 0.00 N ATOM 672 CA ASN A 46 -11.652 0.401 -13.122 1.00 0.00 C ATOM 673 C ASN A 46 -11.695 1.872 -12.706 1.00 0.00 C ATOM 674 O ASN A 46 -11.059 2.277 -11.752 1.00 0.00 O ATOM 675 CB ASN A 46 -13.076 -0.153 -13.189 1.00 0.00 C ATOM 676 CG ASN A 46 -13.033 -1.681 -13.125 1.00 0.00 C ATOM 677 OD1 ASN A 46 -13.170 -2.347 -14.132 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.848 -2.269 -11.974 1.00 0.00 N ATOM 0 H ASN A 46 -10.849 0.017 -11.182 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.183 0.315 -14.102 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.669 0.240 -12.363 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.560 0.169 -14.111 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.818 -3.287 -11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.733 -1.710 -11.128 1.00 0.00 H new ATOM 685 N PHE A 47 -12.441 2.677 -13.413 1.00 0.00 N ATOM 686 CA PHE A 47 -12.523 4.120 -13.055 1.00 0.00 C ATOM 687 C PHE A 47 -13.671 4.335 -12.068 1.00 0.00 C ATOM 688 O PHE A 47 -14.370 5.328 -12.118 1.00 0.00 O ATOM 689 CB PHE A 47 -12.773 4.948 -14.317 1.00 0.00 C ATOM 690 CG PHE A 47 -12.115 6.296 -14.164 1.00 0.00 C ATOM 691 CD1 PHE A 47 -10.798 6.378 -13.698 1.00 0.00 C ATOM 692 CD2 PHE A 47 -12.819 7.461 -14.484 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.184 7.628 -13.551 1.00 0.00 C ATOM 694 CE2 PHE A 47 -12.206 8.711 -14.339 1.00 0.00 C ATOM 695 CZ PHE A 47 -10.888 8.794 -13.872 1.00 0.00 C ATOM 0 H PHE A 47 -12.996 2.397 -14.222 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.585 4.434 -12.597 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.373 4.432 -15.190 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.844 5.069 -14.481 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.255 5.477 -13.452 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -13.836 7.396 -14.843 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.168 7.692 -13.190 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -12.749 9.611 -14.587 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.415 9.758 -13.760 1.00 0.00 H new ATOM 705 N ASN A 48 -13.867 3.410 -11.170 1.00 0.00 N ATOM 706 CA ASN A 48 -14.966 3.554 -10.175 1.00 0.00 C ATOM 707 C ASN A 48 -14.633 2.726 -8.933 1.00 0.00 C ATOM 708 O ASN A 48 -14.825 3.161 -7.815 1.00 0.00 O ATOM 709 CB ASN A 48 -16.279 3.054 -10.784 1.00 0.00 C ATOM 710 CG ASN A 48 -17.363 3.032 -9.705 1.00 0.00 C ATOM 711 OD1 ASN A 48 -18.217 3.895 -9.668 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.367 2.073 -8.819 1.00 0.00 N ATOM 0 H ASN A 48 -13.312 2.559 -11.082 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.073 4.603 -9.899 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.582 3.703 -11.606 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.143 2.055 -11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.087 2.049 -8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.650 1.348 -8.849 1.00 0.00 H new ATOM 719 N ASP A 49 -14.134 1.534 -9.119 1.00 0.00 N ATOM 720 CA ASP A 49 -13.789 0.682 -7.947 1.00 0.00 C ATOM 721 C ASP A 49 -12.558 1.256 -7.246 1.00 0.00 C ATOM 722 O ASP A 49 -12.326 1.015 -6.078 1.00 0.00 O ATOM 723 CB ASP A 49 -13.487 -0.741 -8.423 1.00 0.00 C ATOM 724 CG ASP A 49 -14.766 -1.578 -8.371 1.00 0.00 C ATOM 725 OD1 ASP A 49 -15.554 -1.367 -7.465 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.936 -2.419 -9.240 1.00 0.00 O ATOM 0 H ASP A 49 -13.951 1.115 -10.031 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.628 0.663 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.094 -0.720 -9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.719 -1.191 -7.794 1.00 0.00 H new ATOM 731 N VAL A 50 -11.764 2.017 -7.950 1.00 0.00 N ATOM 732 CA VAL A 50 -10.547 2.607 -7.324 1.00 0.00 C ATOM 733 C VAL A 50 -10.881 3.994 -6.770 1.00 0.00 C ATOM 734 O VAL A 50 -10.410 4.382 -5.720 1.00 0.00 O ATOM 735 CB VAL A 50 -9.440 2.720 -8.374 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.320 3.620 -7.847 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.877 1.328 -8.664 1.00 0.00 C ATOM 0 H VAL A 50 -11.906 2.255 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.206 1.968 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.849 3.150 -9.288 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.533 3.699 -8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.720 4.612 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.909 3.192 -6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.088 1.403 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.469 0.902 -7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.673 0.685 -9.040 1.00 0.00 H new ATOM 747 N THR A 51 -11.693 4.743 -7.465 1.00 0.00 N ATOM 748 CA THR A 51 -12.055 6.100 -6.971 1.00 0.00 C ATOM 749 C THR A 51 -12.989 5.969 -5.764 1.00 0.00 C ATOM 750 O THR A 51 -13.311 6.938 -5.106 1.00 0.00 O ATOM 751 CB THR A 51 -12.762 6.879 -8.084 1.00 0.00 C ATOM 752 OG1 THR A 51 -13.557 5.987 -8.852 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.722 7.546 -8.985 1.00 0.00 C ATOM 0 H THR A 51 -12.120 4.474 -8.351 1.00 0.00 H new ATOM 0 HA THR A 51 -11.151 6.633 -6.676 1.00 0.00 H new ATOM 0 HB THR A 51 -13.399 7.646 -7.643 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.012 6.484 -9.564 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.228 8.100 -9.776 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.114 8.231 -8.394 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.082 6.783 -9.428 1.00 0.00 H new ATOM 761 N THR A 52 -13.427 4.774 -5.469 1.00 0.00 N ATOM 762 CA THR A 52 -14.338 4.579 -4.307 1.00 0.00 C ATOM 763 C THR A 52 -13.548 3.996 -3.134 1.00 0.00 C ATOM 764 O THR A 52 -13.615 4.485 -2.023 1.00 0.00 O ATOM 765 CB THR A 52 -15.453 3.610 -4.699 1.00 0.00 C ATOM 766 OG1 THR A 52 -16.339 4.251 -5.606 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.220 3.178 -3.449 1.00 0.00 C ATOM 0 H THR A 52 -13.192 3.925 -5.984 1.00 0.00 H new ATOM 0 HA THR A 52 -14.770 5.536 -4.015 1.00 0.00 H new ATOM 0 HB THR A 52 -15.020 2.731 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 52 -16.054 4.069 -6.526 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.015 2.487 -3.730 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.538 2.684 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.655 4.054 -2.968 1.00 0.00 H new ATOM 775 N ARG A 53 -12.796 2.956 -3.371 1.00 0.00 N ATOM 776 CA ARG A 53 -12.001 2.347 -2.271 1.00 0.00 C ATOM 777 C ARG A 53 -11.100 3.419 -1.662 1.00 0.00 C ATOM 778 O ARG A 53 -10.886 3.462 -0.466 1.00 0.00 O ATOM 779 CB ARG A 53 -11.142 1.212 -2.830 1.00 0.00 C ATOM 780 CG ARG A 53 -11.930 -0.098 -2.776 1.00 0.00 C ATOM 781 CD ARG A 53 -11.819 -0.701 -1.374 1.00 0.00 C ATOM 782 NE ARG A 53 -12.109 -2.161 -1.437 1.00 0.00 N ATOM 783 CZ ARG A 53 -11.134 -3.016 -1.599 1.00 0.00 C ATOM 784 NH1 ARG A 53 -10.019 -2.867 -0.938 1.00 0.00 N ATOM 785 NH2 ARG A 53 -11.277 -4.020 -2.420 1.00 0.00 N ATOM 0 H ARG A 53 -12.699 2.503 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.669 1.948 -1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.853 1.433 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.222 1.120 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.976 0.083 -3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.544 -0.798 -3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.819 -0.535 -0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.519 -0.209 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.070 -2.494 -1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.908 -2.083 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.258 -3.534 -1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.150 -4.137 -2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.516 -4.688 -2.547 1.00 0.00 H new ATOM 799 N LEU A 54 -10.573 4.287 -2.479 1.00 0.00 N ATOM 800 CA LEU A 54 -9.691 5.360 -1.955 1.00 0.00 C ATOM 801 C LEU A 54 -10.546 6.559 -1.541 1.00 0.00 C ATOM 802 O LEU A 54 -10.122 7.404 -0.779 1.00 0.00 O ATOM 803 CB LEU A 54 -8.711 5.782 -3.047 1.00 0.00 C ATOM 804 CG LEU A 54 -7.895 4.566 -3.479 1.00 0.00 C ATOM 805 CD1 LEU A 54 -7.042 4.928 -4.696 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.988 4.131 -2.327 1.00 0.00 C ATOM 0 H LEU A 54 -10.717 4.298 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.137 4.994 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.251 6.195 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.051 6.567 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.567 3.749 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.460 4.059 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.690 5.239 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.367 5.744 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.404 3.263 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.315 4.948 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.598 3.872 -1.462 1.00 0.00 H new ATOM 818 N ARG A 55 -11.751 6.636 -2.039 1.00 0.00 N ATOM 819 CA ARG A 55 -12.636 7.774 -1.676 1.00 0.00 C ATOM 820 C ARG A 55 -12.141 9.050 -2.364 1.00 0.00 C ATOM 821 O ARG A 55 -12.148 10.120 -1.788 1.00 0.00 O ATOM 822 CB ARG A 55 -12.621 7.971 -0.158 1.00 0.00 C ATOM 823 CG ARG A 55 -12.679 6.608 0.534 1.00 0.00 C ATOM 824 CD ARG A 55 -13.802 6.611 1.575 1.00 0.00 C ATOM 825 NE ARG A 55 -13.718 5.371 2.398 1.00 0.00 N ATOM 826 CZ ARG A 55 -12.569 4.985 2.880 1.00 0.00 C ATOM 827 NH1 ARG A 55 -11.735 5.863 3.365 1.00 0.00 N ATOM 828 NH2 ARG A 55 -12.254 3.718 2.879 1.00 0.00 N ATOM 0 H ARG A 55 -12.159 5.958 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.653 7.559 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.719 8.505 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.470 8.583 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.852 5.822 -0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.725 6.391 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.719 7.491 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.771 6.667 1.080 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.559 4.824 2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.981 6.853 3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.837 5.560 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.906 3.031 2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.356 3.416 3.256 1.00 0.00 H new ATOM 842 N GLU A 56 -11.712 8.946 -3.593 1.00 0.00 N ATOM 843 CA GLU A 56 -11.218 10.154 -4.316 1.00 0.00 C ATOM 844 C GLU A 56 -11.885 10.235 -5.691 1.00 0.00 C ATOM 845 O GLU A 56 -12.881 9.588 -5.948 1.00 0.00 O ATOM 846 CB GLU A 56 -9.701 10.062 -4.496 1.00 0.00 C ATOM 847 CG GLU A 56 -9.084 9.315 -3.313 1.00 0.00 C ATOM 848 CD GLU A 56 -7.567 9.513 -3.321 1.00 0.00 C ATOM 849 OE1 GLU A 56 -7.110 10.413 -4.007 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.887 8.761 -2.642 1.00 0.00 O ATOM 0 H GLU A 56 -11.682 8.078 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.462 11.044 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.467 9.545 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.273 11.062 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.505 9.683 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.323 8.253 -3.374 1.00 0.00 H new ATOM 857 N ASN A 57 -11.339 11.023 -6.578 1.00 0.00 N ATOM 858 CA ASN A 57 -11.937 11.141 -7.937 1.00 0.00 C ATOM 859 C ASN A 57 -10.823 11.412 -8.949 1.00 0.00 C ATOM 860 O ASN A 57 -10.529 10.594 -9.798 1.00 0.00 O ATOM 861 CB ASN A 57 -12.942 12.295 -7.958 1.00 0.00 C ATOM 862 CG ASN A 57 -14.265 11.808 -8.555 1.00 0.00 C ATOM 863 OD1 ASN A 57 -14.824 12.447 -9.424 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.791 10.696 -8.121 1.00 0.00 N ATOM 0 H ASN A 57 -10.506 11.589 -6.419 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.451 10.215 -8.194 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.103 12.670 -6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.548 13.124 -8.546 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.672 10.362 -8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.321 10.160 -7.391 1.00 0.00 H new ATOM 871 N GLU A 58 -10.195 12.552 -8.860 1.00 0.00 N ATOM 872 CA GLU A 58 -9.094 12.871 -9.808 1.00 0.00 C ATOM 873 C GLU A 58 -7.924 11.918 -9.553 1.00 0.00 C ATOM 874 O GLU A 58 -7.181 12.075 -8.603 1.00 0.00 O ATOM 875 CB GLU A 58 -8.640 14.318 -9.591 1.00 0.00 C ATOM 876 CG GLU A 58 -7.276 14.536 -10.249 1.00 0.00 C ATOM 877 CD GLU A 58 -6.986 16.034 -10.346 1.00 0.00 C ATOM 878 OE1 GLU A 58 -7.350 16.749 -9.427 1.00 0.00 O ATOM 879 OE2 GLU A 58 -6.406 16.442 -11.339 1.00 0.00 O ATOM 0 H GLU A 58 -10.398 13.276 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.442 12.754 -10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.372 15.006 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.578 14.534 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.498 14.042 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.265 14.088 -11.243 1.00 0.00 H new ATOM 886 N LEU A 59 -7.753 10.931 -10.390 1.00 0.00 N ATOM 887 CA LEU A 59 -6.633 9.971 -10.190 1.00 0.00 C ATOM 888 C LEU A 59 -6.693 8.880 -11.260 1.00 0.00 C ATOM 889 O LEU A 59 -7.755 8.425 -11.638 1.00 0.00 O ATOM 890 CB LEU A 59 -6.757 9.324 -8.809 1.00 0.00 C ATOM 891 CG LEU A 59 -8.006 8.443 -8.774 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.593 6.970 -8.785 1.00 0.00 C ATOM 893 CD2 LEU A 59 -8.803 8.739 -7.500 1.00 0.00 C ATOM 0 H LEU A 59 -8.341 10.749 -11.203 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.685 10.505 -10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.871 8.727 -8.594 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.819 10.093 -8.039 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.623 8.654 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.484 6.342 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.025 6.758 -9.691 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.976 6.759 -7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.694 8.111 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.185 8.528 -6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.098 9.788 -7.491 1.00 0.00 H new ATOM 905 N THR A 60 -5.562 8.451 -11.747 1.00 0.00 N ATOM 906 CA THR A 60 -5.553 7.381 -12.783 1.00 0.00 C ATOM 907 C THR A 60 -5.357 6.027 -12.097 1.00 0.00 C ATOM 908 O THR A 60 -5.502 5.907 -10.897 1.00 0.00 O ATOM 909 CB THR A 60 -4.406 7.628 -13.765 1.00 0.00 C ATOM 910 OG1 THR A 60 -3.476 8.534 -13.187 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.963 8.223 -15.060 1.00 0.00 C ATOM 0 H THR A 60 -4.642 8.796 -11.472 1.00 0.00 H new ATOM 0 HA THR A 60 -6.498 7.386 -13.327 1.00 0.00 H new ATOM 0 HB THR A 60 -3.905 6.685 -13.985 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.740 8.692 -13.814 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.146 8.399 -15.760 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.677 7.528 -15.502 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.463 9.166 -14.841 1.00 0.00 H new ATOM 919 N TYR A 61 -5.028 5.007 -12.841 1.00 0.00 N ATOM 920 CA TYR A 61 -4.824 3.674 -12.207 1.00 0.00 C ATOM 921 C TYR A 61 -4.397 2.649 -13.263 1.00 0.00 C ATOM 922 O TYR A 61 -5.147 2.312 -14.158 1.00 0.00 O ATOM 923 CB TYR A 61 -6.128 3.224 -11.536 1.00 0.00 C ATOM 924 CG TYR A 61 -7.106 2.728 -12.577 1.00 0.00 C ATOM 925 CD1 TYR A 61 -7.661 3.620 -13.504 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.459 1.373 -12.613 1.00 0.00 C ATOM 927 CE1 TYR A 61 -8.567 3.157 -14.464 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.365 0.911 -13.575 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.919 1.802 -14.500 1.00 0.00 C ATOM 930 OH TYR A 61 -9.814 1.346 -15.448 1.00 0.00 O ATOM 0 H TYR A 61 -4.893 5.038 -13.852 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.038 3.749 -11.456 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.921 2.433 -10.815 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.566 4.054 -10.981 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.389 4.665 -13.477 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.032 0.685 -11.899 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.995 3.845 -15.178 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.636 -0.134 -13.603 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.692 0.382 -15.576 1.00 0.00 H new ATOM 940 N TYR A 62 -3.198 2.145 -13.161 1.00 0.00 N ATOM 941 CA TYR A 62 -2.730 1.134 -14.153 1.00 0.00 C ATOM 942 C TYR A 62 -2.457 -0.186 -13.430 1.00 0.00 C ATOM 943 O TYR A 62 -1.544 -0.291 -12.634 1.00 0.00 O ATOM 944 CB TYR A 62 -1.446 1.622 -14.827 1.00 0.00 C ATOM 945 CG TYR A 62 -0.864 0.502 -15.655 1.00 0.00 C ATOM 946 CD1 TYR A 62 -1.655 -0.142 -16.616 1.00 0.00 C ATOM 947 CD2 TYR A 62 0.464 0.103 -15.463 1.00 0.00 C ATOM 948 CE1 TYR A 62 -1.118 -1.183 -17.382 1.00 0.00 C ATOM 949 CE2 TYR A 62 1.001 -0.938 -16.229 1.00 0.00 C ATOM 950 CZ TYR A 62 0.210 -1.581 -17.190 1.00 0.00 C ATOM 951 OH TYR A 62 0.739 -2.607 -17.944 1.00 0.00 O ATOM 0 H TYR A 62 -2.523 2.388 -12.436 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.497 0.988 -14.913 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.658 2.485 -15.458 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.727 1.946 -14.075 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.680 0.165 -16.766 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.075 0.599 -14.723 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.729 -1.679 -18.122 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.025 -1.246 -16.079 1.00 0.00 H new ATOM 0 HH TYR A 62 1.216 -3.231 -17.358 1.00 0.00 H new ATOM 961 N CYS A 63 -3.244 -1.193 -13.694 1.00 0.00 N ATOM 962 CA CYS A 63 -3.030 -2.503 -13.017 1.00 0.00 C ATOM 963 C CYS A 63 -1.962 -3.303 -13.764 1.00 0.00 C ATOM 964 O CYS A 63 -1.780 -3.153 -14.957 1.00 0.00 O ATOM 965 CB CYS A 63 -4.343 -3.287 -13.005 1.00 0.00 C ATOM 966 SG CYS A 63 -5.339 -2.772 -11.585 1.00 0.00 S ATOM 0 H CYS A 63 -4.025 -1.165 -14.349 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.697 -2.332 -11.993 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.892 -3.112 -13.930 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.140 -4.357 -12.952 1.00 0.00 H new ATOM 971 N CYS A 64 -1.251 -4.153 -13.072 1.00 0.00 N ATOM 972 CA CYS A 64 -0.193 -4.961 -13.744 1.00 0.00 C ATOM 973 C CYS A 64 -0.191 -6.381 -13.179 1.00 0.00 C ATOM 974 O CYS A 64 -1.070 -6.771 -12.435 1.00 0.00 O ATOM 975 CB CYS A 64 1.177 -4.328 -13.488 1.00 0.00 C ATOM 976 SG CYS A 64 1.903 -3.786 -15.055 1.00 0.00 S ATOM 0 H CYS A 64 -1.357 -4.322 -12.072 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.396 -4.989 -14.815 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.075 -3.480 -12.811 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.835 -5.048 -13.001 1.00 0.00 H new ATOM 981 N LYS A 65 0.804 -7.153 -13.524 1.00 0.00 N ATOM 982 CA LYS A 65 0.888 -8.548 -13.011 1.00 0.00 C ATOM 983 C LYS A 65 2.269 -9.119 -13.343 1.00 0.00 C ATOM 984 O LYS A 65 2.395 -10.091 -14.061 1.00 0.00 O ATOM 985 CB LYS A 65 -0.195 -9.404 -13.669 1.00 0.00 C ATOM 986 CG LYS A 65 -0.030 -9.359 -15.190 1.00 0.00 C ATOM 987 CD LYS A 65 -0.306 -10.746 -15.774 1.00 0.00 C ATOM 988 CE LYS A 65 -0.139 -10.701 -17.295 1.00 0.00 C ATOM 989 NZ LYS A 65 0.885 -11.701 -17.711 1.00 0.00 N ATOM 0 H LYS A 65 1.566 -6.874 -14.143 1.00 0.00 H new ATOM 0 HA LYS A 65 0.738 -8.553 -11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.125 -10.433 -13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.183 -9.038 -13.389 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.716 -8.629 -15.619 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.979 -9.038 -15.448 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.379 -11.477 -15.344 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.316 -11.066 -15.517 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.090 -10.914 -17.783 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.164 -9.702 -17.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.999 -11.671 -18.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.793 -11.478 -17.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.578 -12.652 -17.424 1.00 0.00 H new ATOM 1003 N LYS A 66 3.307 -8.516 -12.827 1.00 0.00 N ATOM 1004 CA LYS A 66 4.683 -9.016 -13.113 1.00 0.00 C ATOM 1005 C LYS A 66 5.612 -8.637 -11.957 1.00 0.00 C ATOM 1006 O LYS A 66 5.291 -7.797 -11.141 1.00 0.00 O ATOM 1007 CB LYS A 66 5.193 -8.385 -14.410 1.00 0.00 C ATOM 1008 CG LYS A 66 6.134 -9.359 -15.121 1.00 0.00 C ATOM 1009 CD LYS A 66 6.121 -9.073 -16.623 1.00 0.00 C ATOM 1010 CE LYS A 66 6.857 -7.761 -16.901 1.00 0.00 C ATOM 1011 NZ LYS A 66 8.307 -7.932 -16.603 1.00 0.00 N ATOM 0 H LYS A 66 3.261 -7.698 -12.219 1.00 0.00 H new ATOM 0 HA LYS A 66 4.664 -10.100 -13.221 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.354 -8.136 -15.059 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.715 -7.453 -14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.146 -9.256 -14.729 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.822 -10.386 -14.933 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.598 -9.891 -17.163 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.094 -9.009 -16.983 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.721 -7.469 -17.942 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.441 -6.961 -16.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.859 -7.248 -17.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.475 -7.770 -15.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.601 -8.898 -16.853 1.00 0.00 H new ATOM 1025 N ASP A 67 6.761 -9.252 -11.878 1.00 0.00 N ATOM 1026 CA ASP A 67 7.706 -8.927 -10.772 1.00 0.00 C ATOM 1027 C ASP A 67 8.083 -7.445 -10.826 1.00 0.00 C ATOM 1028 O ASP A 67 8.954 -7.040 -11.569 1.00 0.00 O ATOM 1029 CB ASP A 67 8.970 -9.779 -10.912 1.00 0.00 C ATOM 1030 CG ASP A 67 9.342 -9.902 -12.391 1.00 0.00 C ATOM 1031 OD1 ASP A 67 9.681 -8.891 -12.982 1.00 0.00 O ATOM 1032 OD2 ASP A 67 9.281 -11.006 -12.907 1.00 0.00 O ATOM 0 H ASP A 67 7.086 -9.965 -12.531 1.00 0.00 H new ATOM 0 HA ASP A 67 7.225 -9.140 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.791 -9.325 -10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.804 -10.768 -10.484 1.00 0.00 H new ATOM 1037 N LEU A 68 7.434 -6.638 -10.033 1.00 0.00 N ATOM 1038 CA LEU A 68 7.741 -5.182 -10.010 1.00 0.00 C ATOM 1039 C LEU A 68 7.267 -4.524 -11.304 1.00 0.00 C ATOM 1040 O LEU A 68 8.053 -4.079 -12.116 1.00 0.00 O ATOM 1041 CB LEU A 68 9.246 -4.980 -9.836 1.00 0.00 C ATOM 1042 CG LEU A 68 9.721 -5.782 -8.623 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.245 -5.885 -8.641 1.00 0.00 C ATOM 1044 CD2 LEU A 68 9.274 -5.077 -7.340 1.00 0.00 C ATOM 0 H LEU A 68 6.696 -6.930 -9.393 1.00 0.00 H new ATOM 0 HA LEU A 68 7.218 -4.718 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.775 -5.304 -10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.470 -3.922 -9.699 1.00 0.00 H new ATOM 0 HG LEU A 68 9.290 -6.783 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.581 -6.457 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.565 -6.387 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.678 -4.885 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.612 -5.647 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.705 -4.076 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.187 -5.004 -7.325 1.00 0.00 H new ATOM 1056 N CYS A 69 5.979 -4.447 -11.490 1.00 0.00 N ATOM 1057 CA CYS A 69 5.433 -3.806 -12.719 1.00 0.00 C ATOM 1058 C CYS A 69 5.118 -2.342 -12.413 1.00 0.00 C ATOM 1059 O CYS A 69 5.220 -1.481 -13.265 1.00 0.00 O ATOM 1060 CB CYS A 69 4.142 -4.516 -13.134 1.00 0.00 C ATOM 1061 SG CYS A 69 3.862 -4.281 -14.908 1.00 0.00 S ATOM 0 H CYS A 69 5.277 -4.802 -10.840 1.00 0.00 H new ATOM 0 HA CYS A 69 6.163 -3.874 -13.525 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.210 -5.579 -12.904 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.299 -4.120 -12.567 1.00 0.00 H new ATOM 1066 N ASN A 70 4.728 -2.058 -11.201 1.00 0.00 N ATOM 1067 CA ASN A 70 4.395 -0.655 -10.830 1.00 0.00 C ATOM 1068 C ASN A 70 5.657 0.077 -10.372 1.00 0.00 C ATOM 1069 O ASN A 70 5.983 0.101 -9.202 1.00 0.00 O ATOM 1070 CB ASN A 70 3.374 -0.663 -9.690 1.00 0.00 C ATOM 1071 CG ASN A 70 3.915 -1.496 -8.525 1.00 0.00 C ATOM 1072 OD1 ASN A 70 5.039 -1.954 -8.561 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.155 -1.712 -7.486 1.00 0.00 N ATOM 0 H ASN A 70 4.625 -2.740 -10.450 1.00 0.00 H new ATOM 0 HA ASN A 70 3.978 -0.143 -11.698 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.174 0.356 -9.360 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.428 -1.077 -10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.505 -2.266 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.211 -1.327 -7.456 1.00 0.00 H new ATOM 1080 N PHE A 71 6.365 0.685 -11.284 1.00 0.00 N ATOM 1081 CA PHE A 71 7.597 1.425 -10.897 1.00 0.00 C ATOM 1082 C PHE A 71 7.415 2.903 -11.236 1.00 0.00 C ATOM 1083 O PHE A 71 8.361 3.609 -11.523 1.00 0.00 O ATOM 1084 CB PHE A 71 8.795 0.864 -11.662 1.00 0.00 C ATOM 1085 CG PHE A 71 8.373 0.514 -13.068 1.00 0.00 C ATOM 1086 CD1 PHE A 71 7.861 1.506 -13.914 1.00 0.00 C ATOM 1087 CD2 PHE A 71 8.493 -0.803 -13.527 1.00 0.00 C ATOM 1088 CE1 PHE A 71 7.468 1.180 -15.218 1.00 0.00 C ATOM 1089 CE2 PHE A 71 8.100 -1.129 -14.830 1.00 0.00 C ATOM 1090 CZ PHE A 71 7.589 -0.138 -15.675 1.00 0.00 C ATOM 0 H PHE A 71 6.143 0.701 -12.279 1.00 0.00 H new ATOM 0 HA PHE A 71 7.774 1.312 -9.827 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.602 1.597 -11.684 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.182 -0.020 -11.156 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.769 2.522 -13.561 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.889 -1.568 -12.875 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.072 1.944 -15.870 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.191 -2.146 -15.183 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.287 -0.390 -16.681 1.00 0.00 H new ATOM 1100 N ASN A 72 6.200 3.373 -11.202 1.00 0.00 N ATOM 1101 CA ASN A 72 5.941 4.806 -11.520 1.00 0.00 C ATOM 1102 C ASN A 72 6.588 5.160 -12.861 1.00 0.00 C ATOM 1103 O ASN A 72 7.432 6.030 -12.942 1.00 0.00 O ATOM 1104 CB ASN A 72 6.536 5.685 -10.417 1.00 0.00 C ATOM 1105 CG ASN A 72 6.120 7.139 -10.644 1.00 0.00 C ATOM 1106 OD1 ASN A 72 6.858 7.910 -11.226 1.00 0.00 O ATOM 1107 ND2 ASN A 72 4.962 7.550 -10.206 1.00 0.00 N ATOM 0 H ASN A 72 5.372 2.825 -10.967 1.00 0.00 H new ATOM 0 HA ASN A 72 4.866 4.976 -11.583 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.191 5.345 -9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.623 5.602 -10.418 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.676 8.518 -10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.343 6.903 -9.718 1.00 0.00 H new ATOM 1114 N GLU A 73 6.201 4.493 -13.917 1.00 0.00 N ATOM 1115 CA GLU A 73 6.801 4.800 -15.247 1.00 0.00 C ATOM 1116 C GLU A 73 6.039 4.054 -16.347 1.00 0.00 C ATOM 1117 O GLU A 73 6.621 3.585 -17.306 1.00 0.00 O ATOM 1118 CB GLU A 73 8.266 4.362 -15.259 1.00 0.00 C ATOM 1119 CG GLU A 73 9.141 5.521 -15.742 1.00 0.00 C ATOM 1120 CD GLU A 73 8.862 5.789 -17.223 1.00 0.00 C ATOM 1121 OE1 GLU A 73 8.666 4.830 -17.951 1.00 0.00 O ATOM 1122 OE2 GLU A 73 8.850 6.948 -17.602 1.00 0.00 O ATOM 0 H GLU A 73 5.499 3.753 -13.915 1.00 0.00 H new ATOM 0 HA GLU A 73 6.737 5.873 -15.429 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.572 4.053 -14.260 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.393 3.499 -15.913 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.935 6.416 -15.155 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.194 5.280 -15.597 1.00 0.00 H new ATOM 1129 N GLN A 74 4.745 3.946 -16.224 1.00 0.00 N ATOM 1130 CA GLN A 74 3.956 3.235 -17.270 1.00 0.00 C ATOM 1131 C GLN A 74 2.766 4.103 -17.686 1.00 0.00 C ATOM 1132 O GLN A 74 1.820 3.633 -18.283 1.00 0.00 O ATOM 1133 CB GLN A 74 3.444 1.904 -16.716 1.00 0.00 C ATOM 1134 CG GLN A 74 3.150 0.953 -17.878 1.00 0.00 C ATOM 1135 CD GLN A 74 4.300 -0.044 -18.029 1.00 0.00 C ATOM 1136 OE1 GLN A 74 4.415 -0.977 -17.259 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.161 0.115 -18.997 1.00 0.00 N ATOM 0 H GLN A 74 4.200 4.318 -15.446 1.00 0.00 H new ATOM 0 HA GLN A 74 4.592 3.045 -18.134 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.186 1.464 -16.050 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.542 2.065 -16.126 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.216 0.421 -17.698 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.022 1.519 -18.801 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.063 0.899 -19.643 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.931 -0.544 -19.108 1.00 0.00 H new ATOM 1146 N LEU A 75 2.810 5.368 -17.374 1.00 0.00 N ATOM 1147 CA LEU A 75 1.687 6.269 -17.750 1.00 0.00 C ATOM 1148 C LEU A 75 2.136 7.723 -17.590 1.00 0.00 C ATOM 1149 O LEU A 75 1.514 8.503 -16.897 1.00 0.00 O ATOM 1150 CB LEU A 75 0.487 5.998 -16.838 1.00 0.00 C ATOM 1151 CG LEU A 75 0.903 6.169 -15.376 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.288 6.682 -14.562 1.00 0.00 C ATOM 1153 CD2 LEU A 75 1.359 4.819 -14.814 1.00 0.00 C ATOM 0 H LEU A 75 3.577 5.817 -16.874 1.00 0.00 H new ATOM 0 HA LEU A 75 1.400 6.087 -18.785 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.326 6.683 -17.077 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.112 4.988 -17.004 1.00 0.00 H new ATOM 0 HG LEU A 75 1.722 6.886 -15.314 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.009 6.804 -13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.615 7.642 -14.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.107 5.966 -14.625 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.656 4.940 -13.772 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.539 4.103 -14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.207 4.452 -15.392 1.00 0.00 H new