USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 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 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.72 X(o=-0.72,f=-0.92) USER MOD Set 2.1: A 37 ASN : amide:sc= -0.654 K(o=-4.1,f=-8.4!) USER MOD Set 2.2: A 72 ASN : amide:sc= -3.47! C(o=-4.1!,f=-8.4!) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0.00303 USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0.0475 USER MOD Set 4.1: A 2 GLN : amide:sc= 0 X(o=-0.034,f=-0.27) USER MOD Set 4.2: A 18 ASN : amide:sc= -0.0342 K(o=-0.034,f=-0.87) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 15:sc= -0.126 USER MOD Single : A 5 ASN : amide:sc= -0.54 K(o=-0.54,f=-2.4!) USER MOD Single : A 8 ASN : amide:sc= -5.23! C(o=-5.2!,f=-11!) USER MOD Single : A 10 THR OG1 : rot -148:sc= -1.93! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 95:sc= 0.009 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.08 X(o=-3.1,f=-3.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0771) USER MOD Single : A 44 HIS : no HD1:sc= -1 K(o=-1,f=-0.36) USER MOD Single : A 46 ASN : amide:sc= -4.39! C(o=-4.4!,f=-5.6!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 52 THR OG1 : rot 89:sc= 0.859 USER MOD Single : A 57 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.21) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -16:sc= 0.65 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= -0.0294 (180deg=-0.447) USER MOD Single : A 70 ASN : amide:sc= -4.85! C(o=-4.9!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.022 -12.306 -8.417 1.00 0.00 N ATOM 2 CA LEU A 1 3.478 -10.922 -8.510 1.00 0.00 C ATOM 3 C LEU A 1 4.068 -10.063 -7.388 1.00 0.00 C ATOM 4 O LEU A 1 3.476 -9.904 -6.339 1.00 0.00 O ATOM 5 CB LEU A 1 1.955 -10.963 -8.375 1.00 0.00 C ATOM 6 CG LEU A 1 1.317 -10.311 -9.603 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.843 -8.883 -9.755 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.672 -11.119 -10.854 1.00 0.00 C ATOM 0 H1 LEU A 1 3.621 -12.889 -9.179 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.057 -12.279 -8.510 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.768 -12.718 -7.496 1.00 0.00 H new ATOM 0 HA LEU A 1 3.746 -10.491 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.615 -11.994 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.645 -10.440 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 1 0.234 -10.289 -9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.388 -8.419 -10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.591 -8.306 -8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.926 -8.905 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.217 -10.654 -11.729 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.755 -11.142 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.297 -12.137 -10.748 1.00 0.00 H new ATOM 22 N GLN A 2 5.230 -9.508 -7.602 1.00 0.00 N ATOM 23 CA GLN A 2 5.858 -8.658 -6.551 1.00 0.00 C ATOM 24 C GLN A 2 5.413 -7.208 -6.741 1.00 0.00 C ATOM 25 O GLN A 2 5.049 -6.798 -7.824 1.00 0.00 O ATOM 26 CB GLN A 2 7.382 -8.749 -6.669 1.00 0.00 C ATOM 27 CG GLN A 2 7.788 -10.203 -6.918 1.00 0.00 C ATOM 28 CD GLN A 2 9.312 -10.328 -6.840 1.00 0.00 C ATOM 29 OE1 GLN A 2 10.021 -9.768 -7.652 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.848 -11.044 -5.890 1.00 0.00 N ATOM 0 H GLN A 2 5.772 -9.607 -8.460 1.00 0.00 H new ATOM 0 HA GLN A 2 5.550 -9.005 -5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.733 -8.117 -7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.851 -8.380 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.321 -10.854 -6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.435 -10.528 -7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.253 -11.514 -5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.862 -11.133 -5.829 1.00 0.00 H new ATOM 39 N CYS A 3 5.433 -6.429 -5.696 1.00 0.00 N ATOM 40 CA CYS A 3 5.003 -5.007 -5.824 1.00 0.00 C ATOM 41 C CYS A 3 5.632 -4.166 -4.712 1.00 0.00 C ATOM 42 O CYS A 3 6.112 -4.683 -3.723 1.00 0.00 O ATOM 43 CB CYS A 3 3.482 -4.927 -5.717 1.00 0.00 C ATOM 44 SG CYS A 3 2.734 -5.444 -7.280 1.00 0.00 S ATOM 0 H CYS A 3 5.727 -6.713 -4.762 1.00 0.00 H new ATOM 0 HA CYS A 3 5.328 -4.622 -6.791 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.131 -5.565 -4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.178 -3.908 -5.476 1.00 0.00 H new ATOM 49 N TYR A 4 5.622 -2.870 -4.866 1.00 0.00 N ATOM 50 CA TYR A 4 6.208 -1.987 -3.818 1.00 0.00 C ATOM 51 C TYR A 4 5.081 -1.467 -2.921 1.00 0.00 C ATOM 52 O TYR A 4 3.916 -1.586 -3.245 1.00 0.00 O ATOM 53 CB TYR A 4 6.917 -0.804 -4.481 1.00 0.00 C ATOM 54 CG TYR A 4 8.014 -1.312 -5.386 1.00 0.00 C ATOM 55 CD1 TYR A 4 9.252 -1.680 -4.845 1.00 0.00 C ATOM 56 CD2 TYR A 4 7.794 -1.416 -6.765 1.00 0.00 C ATOM 57 CE1 TYR A 4 10.270 -2.150 -5.682 1.00 0.00 C ATOM 58 CE2 TYR A 4 8.812 -1.886 -7.602 1.00 0.00 C ATOM 59 CZ TYR A 4 10.050 -2.254 -7.062 1.00 0.00 C ATOM 60 OH TYR A 4 11.054 -2.717 -7.888 1.00 0.00 O ATOM 0 H TYR A 4 5.233 -2.384 -5.674 1.00 0.00 H new ATOM 0 HA TYR A 4 6.928 -2.549 -3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.202 -0.214 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.336 -0.145 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 4 9.421 -1.601 -3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.839 -1.134 -7.182 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.225 -2.433 -5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.642 -1.965 -8.666 1.00 0.00 H new ATOM 0 HH TYR A 4 11.750 -3.146 -7.348 1.00 0.00 H new ATOM 70 N ASN A 5 5.414 -0.891 -1.799 1.00 0.00 N ATOM 71 CA ASN A 5 4.352 -0.370 -0.893 1.00 0.00 C ATOM 72 C ASN A 5 4.968 0.593 0.124 1.00 0.00 C ATOM 73 O ASN A 5 5.943 0.282 0.779 1.00 0.00 O ATOM 74 CB ASN A 5 3.690 -1.537 -0.157 1.00 0.00 C ATOM 75 CG ASN A 5 2.373 -1.068 0.466 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.429 -0.766 -0.238 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.270 -0.993 1.764 1.00 0.00 N ATOM 0 H ASN A 5 6.371 -0.759 -1.471 1.00 0.00 H new ATOM 0 HA ASN A 5 3.603 0.159 -1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.505 -2.359 -0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.356 -1.917 0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.397 -0.681 2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.062 -1.247 2.354 1.00 0.00 H new ATOM 84 N CYS A 6 4.400 1.760 0.263 1.00 0.00 N ATOM 85 CA CYS A 6 4.943 2.747 1.239 1.00 0.00 C ATOM 86 C CYS A 6 3.814 3.214 2.165 1.00 0.00 C ATOM 87 O CYS A 6 2.657 3.170 1.797 1.00 0.00 O ATOM 88 CB CYS A 6 5.517 3.948 0.483 1.00 0.00 C ATOM 89 SG CYS A 6 7.305 4.034 0.752 1.00 0.00 S ATOM 0 H CYS A 6 3.581 2.073 -0.259 1.00 0.00 H new ATOM 0 HA CYS A 6 5.732 2.283 1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.303 3.857 -0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.042 4.867 0.826 1.00 0.00 H new ATOM 94 N PRO A 7 4.187 3.646 3.342 1.00 0.00 N ATOM 95 CA PRO A 7 3.226 4.130 4.351 1.00 0.00 C ATOM 96 C PRO A 7 2.740 5.535 3.990 1.00 0.00 C ATOM 97 O PRO A 7 1.831 6.067 4.598 1.00 0.00 O ATOM 98 CB PRO A 7 4.043 4.146 5.646 1.00 0.00 C ATOM 99 CG PRO A 7 5.529 4.219 5.224 1.00 0.00 C ATOM 100 CD PRO A 7 5.598 3.699 3.776 1.00 0.00 C ATOM 0 HA PRO A 7 2.332 3.511 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.773 5.001 6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.851 3.251 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.900 5.242 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.150 3.613 5.884 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.185 4.363 3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.067 2.716 3.728 1.00 0.00 H new ATOM 108 N ASN A 8 3.339 6.139 3.003 1.00 0.00 N ATOM 109 CA ASN A 8 2.919 7.508 2.594 1.00 0.00 C ATOM 110 C ASN A 8 2.829 7.566 1.066 1.00 0.00 C ATOM 111 O ASN A 8 3.132 6.598 0.397 1.00 0.00 O ATOM 112 CB ASN A 8 3.955 8.521 3.086 1.00 0.00 C ATOM 113 CG ASN A 8 3.303 9.472 4.091 1.00 0.00 C ATOM 114 OD1 ASN A 8 2.124 9.755 4.002 1.00 0.00 O ATOM 115 ND2 ASN A 8 4.025 9.979 5.054 1.00 0.00 N ATOM 0 H ASN A 8 4.105 5.742 2.459 1.00 0.00 H new ATOM 0 HA ASN A 8 1.947 7.745 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.793 8.003 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.356 9.085 2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.600 10.612 5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.014 9.742 5.129 1.00 0.00 H new ATOM 122 N PRO A 9 2.422 8.699 0.557 1.00 0.00 N ATOM 123 CA PRO A 9 2.294 8.905 -0.893 1.00 0.00 C ATOM 124 C PRO A 9 3.678 9.098 -1.507 1.00 0.00 C ATOM 125 O PRO A 9 4.119 10.203 -1.752 1.00 0.00 O ATOM 126 CB PRO A 9 1.442 10.171 -1.009 1.00 0.00 C ATOM 127 CG PRO A 9 1.597 10.922 0.336 1.00 0.00 C ATOM 128 CD PRO A 9 2.059 9.878 1.371 1.00 0.00 C ATOM 0 HA PRO A 9 1.842 8.064 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.777 10.790 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.398 9.921 -1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.325 11.729 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.653 11.376 0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.909 10.240 1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.266 9.643 2.081 1.00 0.00 H new ATOM 136 N THR A 10 4.364 8.019 -1.741 1.00 0.00 N ATOM 137 CA THR A 10 5.729 8.108 -2.325 1.00 0.00 C ATOM 138 C THR A 10 5.649 7.997 -3.848 1.00 0.00 C ATOM 139 O THR A 10 4.888 7.218 -4.384 1.00 0.00 O ATOM 140 CB THR A 10 6.587 6.965 -1.780 1.00 0.00 C ATOM 141 OG1 THR A 10 5.838 6.228 -0.824 1.00 0.00 O ATOM 142 CG2 THR A 10 7.842 7.534 -1.119 1.00 0.00 C ATOM 0 H THR A 10 4.036 7.072 -1.552 1.00 0.00 H new ATOM 0 HA THR A 10 6.174 9.066 -2.056 1.00 0.00 H new ATOM 0 HB THR A 10 6.879 6.308 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.442 5.871 -0.140 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.451 6.717 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.416 8.098 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.555 8.193 -0.299 1.00 0.00 H new ATOM 150 N ALA A 11 6.438 8.765 -4.546 1.00 0.00 N ATOM 151 CA ALA A 11 6.420 8.697 -6.032 1.00 0.00 C ATOM 152 C ALA A 11 7.611 7.864 -6.501 1.00 0.00 C ATOM 153 O ALA A 11 8.145 8.067 -7.573 1.00 0.00 O ATOM 154 CB ALA A 11 6.518 10.109 -6.613 1.00 0.00 C ATOM 0 H ALA A 11 7.095 9.437 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 11 5.491 8.238 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.505 10.056 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.672 10.704 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.447 10.574 -6.284 1.00 0.00 H new ATOM 160 N ASP A 12 8.027 6.927 -5.696 1.00 0.00 N ATOM 161 CA ASP A 12 9.187 6.070 -6.075 1.00 0.00 C ATOM 162 C ASP A 12 9.594 5.212 -4.876 1.00 0.00 C ATOM 163 O ASP A 12 10.759 4.944 -4.659 1.00 0.00 O ATOM 164 CB ASP A 12 10.362 6.958 -6.489 1.00 0.00 C ATOM 165 CG ASP A 12 10.964 6.436 -7.795 1.00 0.00 C ATOM 166 OD1 ASP A 12 10.294 6.529 -8.811 1.00 0.00 O ATOM 167 OD2 ASP A 12 12.083 5.952 -7.758 1.00 0.00 O ATOM 0 H ASP A 12 7.613 6.716 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 12 8.909 5.425 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.026 7.987 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.119 6.965 -5.705 1.00 0.00 H new ATOM 172 N CYS A 13 8.642 4.778 -4.093 1.00 0.00 N ATOM 173 CA CYS A 13 8.975 3.940 -2.907 1.00 0.00 C ATOM 174 C CYS A 13 9.754 2.702 -3.359 1.00 0.00 C ATOM 175 O CYS A 13 9.563 2.203 -4.449 1.00 0.00 O ATOM 176 CB CYS A 13 7.683 3.506 -2.209 1.00 0.00 C ATOM 177 SG CYS A 13 8.080 2.755 -0.609 1.00 0.00 S ATOM 0 H CYS A 13 7.649 4.968 -4.225 1.00 0.00 H new ATOM 0 HA CYS A 13 9.585 4.518 -2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.028 4.366 -2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.142 2.794 -2.832 1.00 0.00 H new ATOM 182 N LYS A 14 10.630 2.204 -2.529 1.00 0.00 N ATOM 183 CA LYS A 14 11.422 1.002 -2.916 1.00 0.00 C ATOM 184 C LYS A 14 11.191 -0.118 -1.899 1.00 0.00 C ATOM 185 O LYS A 14 12.003 -1.009 -1.747 1.00 0.00 O ATOM 186 CB LYS A 14 12.909 1.361 -2.948 1.00 0.00 C ATOM 187 CG LYS A 14 13.431 1.261 -4.384 1.00 0.00 C ATOM 188 CD LYS A 14 14.270 -0.010 -4.535 1.00 0.00 C ATOM 189 CE LYS A 14 14.660 -0.193 -6.002 1.00 0.00 C ATOM 190 NZ LYS A 14 16.088 0.192 -6.186 1.00 0.00 N ATOM 0 H LYS A 14 10.831 2.577 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 14 11.106 0.664 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.058 2.371 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.470 0.689 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.597 1.244 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.033 2.137 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.164 0.056 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.705 -0.875 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.510 -1.230 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.022 0.420 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.355 0.068 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.217 1.187 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.690 -0.411 -5.589 1.00 0.00 H new ATOM 204 N THR A 15 10.088 -0.084 -1.200 1.00 0.00 N ATOM 205 CA THR A 15 9.810 -1.151 -0.198 1.00 0.00 C ATOM 206 C THR A 15 9.264 -2.391 -0.911 1.00 0.00 C ATOM 207 O THR A 15 8.076 -2.645 -0.914 1.00 0.00 O ATOM 208 CB THR A 15 8.778 -0.645 0.816 1.00 0.00 C ATOM 209 OG1 THR A 15 9.392 0.300 1.682 1.00 0.00 O ATOM 210 CG2 THR A 15 8.244 -1.819 1.638 1.00 0.00 C ATOM 0 H THR A 15 9.369 0.635 -1.280 1.00 0.00 H new ATOM 0 HA THR A 15 10.732 -1.409 0.323 1.00 0.00 H new ATOM 0 HB THR A 15 7.952 -0.172 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.234 1.206 1.343 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.511 -1.455 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.772 -2.543 0.974 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.068 -2.296 2.169 1.00 0.00 H new ATOM 218 N ALA A 16 10.125 -3.165 -1.514 1.00 0.00 N ATOM 219 CA ALA A 16 9.657 -4.388 -2.227 1.00 0.00 C ATOM 220 C ALA A 16 8.856 -5.266 -1.262 1.00 0.00 C ATOM 221 O ALA A 16 9.163 -5.355 -0.089 1.00 0.00 O ATOM 222 CB ALA A 16 10.864 -5.173 -2.744 1.00 0.00 C ATOM 0 H ALA A 16 11.132 -3.004 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 16 9.025 -4.098 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.521 -6.067 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.436 -4.550 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.496 -5.463 -1.905 1.00 0.00 H new ATOM 228 N VAL A 17 7.832 -5.916 -1.744 1.00 0.00 N ATOM 229 CA VAL A 17 7.015 -6.787 -0.853 1.00 0.00 C ATOM 230 C VAL A 17 6.087 -7.658 -1.702 1.00 0.00 C ATOM 231 O VAL A 17 5.419 -7.180 -2.597 1.00 0.00 O ATOM 232 CB VAL A 17 6.177 -5.916 0.086 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.213 -5.059 -0.736 1.00 0.00 C ATOM 234 CG2 VAL A 17 5.379 -6.814 1.034 1.00 0.00 C ATOM 0 H VAL A 17 7.526 -5.881 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 17 7.675 -7.424 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 17 6.835 -5.268 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.616 -4.439 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.781 -4.420 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.554 -5.706 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.781 -6.196 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.721 -7.462 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.065 -7.425 1.620 1.00 0.00 H new ATOM 244 N ASN A 18 6.039 -8.933 -1.430 1.00 0.00 N ATOM 245 CA ASN A 18 5.152 -9.829 -2.223 1.00 0.00 C ATOM 246 C ASN A 18 3.693 -9.459 -1.957 1.00 0.00 C ATOM 247 O ASN A 18 3.284 -9.274 -0.827 1.00 0.00 O ATOM 248 CB ASN A 18 5.394 -11.284 -1.815 1.00 0.00 C ATOM 249 CG ASN A 18 6.710 -11.772 -2.423 1.00 0.00 C ATOM 250 OD1 ASN A 18 7.002 -11.525 -3.576 1.00 0.00 O ATOM 251 ND2 ASN A 18 7.506 -12.465 -1.656 1.00 0.00 N ATOM 0 H ASN A 18 6.575 -9.392 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 18 5.371 -9.712 -3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.430 -11.367 -0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.569 -11.910 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.393 -12.811 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.241 -12.661 -0.691 1.00 0.00 H new ATOM 257 N CYS A 19 2.903 -9.344 -2.989 1.00 0.00 N ATOM 258 CA CYS A 19 1.472 -8.982 -2.797 1.00 0.00 C ATOM 259 C CYS A 19 0.765 -10.080 -2.001 1.00 0.00 C ATOM 260 O CYS A 19 0.803 -11.241 -2.358 1.00 0.00 O ATOM 261 CB CYS A 19 0.799 -8.831 -4.163 1.00 0.00 C ATOM 262 SG CYS A 19 1.198 -7.208 -4.855 1.00 0.00 S ATOM 0 H CYS A 19 3.188 -9.486 -3.958 1.00 0.00 H new ATOM 0 HA CYS A 19 1.407 -8.041 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.138 -9.619 -4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.281 -8.940 -4.062 1.00 0.00 H new ATOM 267 N SER A 20 0.118 -9.723 -0.926 1.00 0.00 N ATOM 268 CA SER A 20 -0.593 -10.747 -0.111 1.00 0.00 C ATOM 269 C SER A 20 -1.615 -11.468 -0.991 1.00 0.00 C ATOM 270 O SER A 20 -1.770 -11.163 -2.157 1.00 0.00 O ATOM 271 CB SER A 20 -1.311 -10.065 1.053 1.00 0.00 C ATOM 272 OG SER A 20 -1.596 -11.027 2.059 1.00 0.00 O ATOM 0 H SER A 20 0.051 -8.767 -0.577 1.00 0.00 H new ATOM 0 HA SER A 20 0.125 -11.467 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.690 -9.268 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.234 -9.602 0.705 1.00 0.00 H new ATOM 0 HG SER A 20 -2.055 -10.592 2.807 1.00 0.00 H new ATOM 278 N SER A 21 -2.316 -12.421 -0.443 1.00 0.00 N ATOM 279 CA SER A 21 -3.327 -13.156 -1.251 1.00 0.00 C ATOM 280 C SER A 21 -4.386 -12.172 -1.750 1.00 0.00 C ATOM 281 O SER A 21 -4.533 -11.086 -1.225 1.00 0.00 O ATOM 282 CB SER A 21 -3.992 -14.226 -0.385 1.00 0.00 C ATOM 283 OG SER A 21 -4.023 -13.784 0.966 1.00 0.00 O ATOM 0 H SER A 21 -2.232 -12.722 0.528 1.00 0.00 H new ATOM 0 HA SER A 21 -2.840 -13.631 -2.102 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.004 -14.420 -0.740 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.443 -15.164 -0.460 1.00 0.00 H new ATOM 0 HG SER A 21 -4.450 -14.467 1.524 1.00 0.00 H new ATOM 289 N ASP A 22 -5.124 -12.542 -2.759 1.00 0.00 N ATOM 290 CA ASP A 22 -6.172 -11.625 -3.288 1.00 0.00 C ATOM 291 C ASP A 22 -5.506 -10.427 -3.970 1.00 0.00 C ATOM 292 O ASP A 22 -5.846 -9.288 -3.715 1.00 0.00 O ATOM 293 CB ASP A 22 -7.047 -11.137 -2.134 1.00 0.00 C ATOM 294 CG ASP A 22 -7.434 -12.324 -1.250 1.00 0.00 C ATOM 295 OD1 ASP A 22 -7.518 -13.424 -1.773 1.00 0.00 O ATOM 296 OD2 ASP A 22 -7.642 -12.115 -0.066 1.00 0.00 O ATOM 0 H ASP A 22 -5.047 -13.438 -3.240 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.789 -12.155 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.510 -10.392 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.943 -10.652 -2.522 1.00 0.00 H new ATOM 301 N PHE A 23 -4.560 -10.676 -4.836 1.00 0.00 N ATOM 302 CA PHE A 23 -3.873 -9.552 -5.534 1.00 0.00 C ATOM 303 C PHE A 23 -3.188 -10.081 -6.795 1.00 0.00 C ATOM 304 O PHE A 23 -2.115 -10.649 -6.740 1.00 0.00 O ATOM 305 CB PHE A 23 -2.824 -8.938 -4.604 1.00 0.00 C ATOM 306 CG PHE A 23 -3.514 -8.109 -3.548 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.319 -7.028 -3.925 1.00 0.00 C ATOM 308 CD2 PHE A 23 -3.351 -8.421 -2.193 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.960 -6.258 -2.948 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.992 -7.652 -1.215 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.797 -6.570 -1.593 1.00 0.00 C ATOM 0 H PHE A 23 -4.234 -11.609 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.605 -8.792 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.232 -9.725 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.134 -8.318 -5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.446 -6.788 -4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.730 -9.256 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.580 -5.423 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.866 -7.893 -0.170 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.292 -5.976 -0.839 1.00 0.00 H new ATOM 321 N ASP A 24 -3.799 -9.901 -7.934 1.00 0.00 N ATOM 322 CA ASP A 24 -3.182 -10.396 -9.197 1.00 0.00 C ATOM 323 C ASP A 24 -2.946 -9.220 -10.146 1.00 0.00 C ATOM 324 O ASP A 24 -2.755 -9.397 -11.333 1.00 0.00 O ATOM 325 CB ASP A 24 -4.120 -11.406 -9.862 1.00 0.00 C ATOM 326 CG ASP A 24 -3.548 -12.816 -9.707 1.00 0.00 C ATOM 327 OD1 ASP A 24 -2.681 -12.993 -8.866 1.00 0.00 O ATOM 328 OD2 ASP A 24 -3.984 -13.694 -10.432 1.00 0.00 O ATOM 0 H ASP A 24 -4.698 -9.433 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.230 -10.877 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.110 -11.352 -9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.240 -11.165 -10.918 1.00 0.00 H new ATOM 333 N ALA A 25 -2.959 -8.019 -9.635 1.00 0.00 N ATOM 334 CA ALA A 25 -2.737 -6.835 -10.513 1.00 0.00 C ATOM 335 C ALA A 25 -2.092 -5.712 -9.702 1.00 0.00 C ATOM 336 O ALA A 25 -2.735 -5.070 -8.895 1.00 0.00 O ATOM 337 CB ALA A 25 -4.079 -6.354 -11.068 1.00 0.00 C ATOM 0 H ALA A 25 -3.113 -7.807 -8.649 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.080 -7.113 -11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.918 -5.488 -11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.541 -7.154 -11.647 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.735 -6.077 -10.243 1.00 0.00 H new ATOM 343 N CYS A 26 -0.832 -5.455 -9.913 1.00 0.00 N ATOM 344 CA CYS A 26 -0.168 -4.360 -9.154 1.00 0.00 C ATOM 345 C CYS A 26 -0.927 -3.067 -9.420 1.00 0.00 C ATOM 346 O CYS A 26 -1.545 -2.911 -10.450 1.00 0.00 O ATOM 347 CB CYS A 26 1.280 -4.212 -9.623 1.00 0.00 C ATOM 348 SG CYS A 26 2.316 -3.710 -8.227 1.00 0.00 S ATOM 0 H CYS A 26 -0.236 -5.953 -10.574 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.171 -4.586 -8.088 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.638 -5.155 -10.035 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.342 -3.472 -10.421 1.00 0.00 H new ATOM 353 N LEU A 27 -0.907 -2.144 -8.504 1.00 0.00 N ATOM 354 CA LEU A 27 -1.655 -0.880 -8.739 1.00 0.00 C ATOM 355 C LEU A 27 -0.719 0.322 -8.642 1.00 0.00 C ATOM 356 O LEU A 27 -0.170 0.617 -7.600 1.00 0.00 O ATOM 357 CB LEU A 27 -2.763 -0.747 -7.695 1.00 0.00 C ATOM 358 CG LEU A 27 -3.437 0.620 -7.820 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.566 0.537 -8.849 1.00 0.00 C ATOM 360 CD2 LEU A 27 -4.014 1.022 -6.461 1.00 0.00 C ATOM 0 H LEU A 27 -0.413 -2.207 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.087 -0.907 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.500 -1.539 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.348 -0.867 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.707 1.362 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.048 1.510 -8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.157 0.243 -9.816 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.299 -0.202 -8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.496 1.996 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.747 0.280 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.211 1.076 -5.726 1.00 0.00 H new ATOM 372 N ILE A 28 -0.557 1.034 -9.722 1.00 0.00 N ATOM 373 CA ILE A 28 0.313 2.237 -9.696 1.00 0.00 C ATOM 374 C ILE A 28 -0.560 3.462 -9.960 1.00 0.00 C ATOM 375 O ILE A 28 -0.624 3.975 -11.060 1.00 0.00 O ATOM 376 CB ILE A 28 1.398 2.124 -10.769 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.256 3.390 -10.764 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.748 1.960 -12.143 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.335 3.278 -11.843 1.00 0.00 C ATOM 0 H ILE A 28 -0.992 0.832 -10.622 1.00 0.00 H new ATOM 0 HA ILE A 28 0.801 2.326 -8.725 1.00 0.00 H new ATOM 0 HB ILE A 28 2.024 1.257 -10.557 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.633 4.265 -10.947 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.717 3.526 -9.786 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.523 1.880 -12.905 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.137 1.058 -12.151 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.120 2.826 -12.354 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.947 4.180 -11.840 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.964 2.412 -11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.863 3.163 -12.819 1.00 0.00 H new ATOM 391 N THR A 29 -1.250 3.917 -8.952 1.00 0.00 N ATOM 392 CA THR A 29 -2.146 5.095 -9.120 1.00 0.00 C ATOM 393 C THR A 29 -1.338 6.387 -8.996 1.00 0.00 C ATOM 394 O THR A 29 -0.311 6.433 -8.349 1.00 0.00 O ATOM 395 CB THR A 29 -3.227 5.059 -8.035 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.168 4.039 -8.344 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.939 6.412 -7.965 1.00 0.00 C ATOM 0 H THR A 29 -1.232 3.521 -8.012 1.00 0.00 H new ATOM 0 HA THR A 29 -2.610 5.061 -10.106 1.00 0.00 H new ATOM 0 HB THR A 29 -2.765 4.851 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.860 4.012 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.706 6.380 -7.192 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.216 7.192 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.403 6.629 -8.927 1.00 0.00 H new ATOM 405 N LYS A 30 -1.805 7.438 -9.609 1.00 0.00 N ATOM 406 CA LYS A 30 -1.083 8.736 -9.531 1.00 0.00 C ATOM 407 C LYS A 30 -2.100 9.876 -9.544 1.00 0.00 C ATOM 408 O LYS A 30 -2.376 10.467 -10.569 1.00 0.00 O ATOM 409 CB LYS A 30 -0.142 8.872 -10.729 1.00 0.00 C ATOM 410 CG LYS A 30 0.819 10.041 -10.496 1.00 0.00 C ATOM 411 CD LYS A 30 1.116 10.729 -11.829 1.00 0.00 C ATOM 412 CE LYS A 30 2.262 11.725 -11.646 1.00 0.00 C ATOM 413 NZ LYS A 30 2.159 12.792 -12.680 1.00 0.00 N ATOM 0 H LYS A 30 -2.661 7.453 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.499 8.777 -8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.420 7.949 -10.870 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.718 9.037 -11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.380 10.753 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.744 9.681 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.382 9.987 -12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.226 11.245 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.221 12.164 -10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.221 11.213 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.938 13.471 -12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.218 12.365 -13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.250 13.287 -12.579 1.00 0.00 H new ATOM 427 N ALA A 31 -2.663 10.181 -8.410 1.00 0.00 N ATOM 428 CA ALA A 31 -3.670 11.277 -8.345 1.00 0.00 C ATOM 429 C ALA A 31 -3.011 12.601 -8.741 1.00 0.00 C ATOM 430 O ALA A 31 -1.895 12.630 -9.220 1.00 0.00 O ATOM 431 CB ALA A 31 -4.212 11.383 -6.919 1.00 0.00 C ATOM 0 H ALA A 31 -2.469 9.718 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.489 11.061 -9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.949 12.184 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.681 10.440 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.393 11.600 -6.234 1.00 0.00 H new ATOM 437 N GLY A 32 -3.694 13.695 -8.546 1.00 0.00 N ATOM 438 CA GLY A 32 -3.107 15.015 -8.911 1.00 0.00 C ATOM 439 C GLY A 32 -1.662 15.087 -8.416 1.00 0.00 C ATOM 440 O GLY A 32 -0.729 15.068 -9.193 1.00 0.00 O ATOM 0 H GLY A 32 -4.633 13.732 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.139 15.153 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.694 15.820 -8.469 1.00 0.00 H new ATOM 444 N LEU A 33 -1.469 15.170 -7.127 1.00 0.00 N ATOM 445 CA LEU A 33 -0.084 15.243 -6.585 1.00 0.00 C ATOM 446 C LEU A 33 0.095 14.191 -5.490 1.00 0.00 C ATOM 447 O LEU A 33 0.581 14.480 -4.413 1.00 0.00 O ATOM 448 CB LEU A 33 0.162 16.635 -5.999 1.00 0.00 C ATOM 449 CG LEU A 33 1.267 17.335 -6.790 1.00 0.00 C ATOM 450 CD1 LEU A 33 0.640 18.294 -7.803 1.00 0.00 C ATOM 451 CD2 LEU A 33 2.162 18.120 -5.828 1.00 0.00 C ATOM 0 H LEU A 33 -2.211 15.190 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 33 0.629 15.054 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.755 17.224 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.447 16.554 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 33 1.865 16.591 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.428 18.793 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.002 17.734 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.042 19.039 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.951 18.620 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.565 18.864 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.609 17.436 -5.107 1.00 0.00 H new ATOM 463 N GLN A 34 -0.294 12.974 -5.751 1.00 0.00 N ATOM 464 CA GLN A 34 -0.145 11.908 -4.719 1.00 0.00 C ATOM 465 C GLN A 34 -0.090 10.537 -5.397 1.00 0.00 C ATOM 466 O GLN A 34 -0.964 10.174 -6.160 1.00 0.00 O ATOM 467 CB GLN A 34 -1.337 11.958 -3.762 1.00 0.00 C ATOM 468 CG GLN A 34 -0.970 12.794 -2.535 1.00 0.00 C ATOM 469 CD GLN A 34 -1.503 14.216 -2.710 1.00 0.00 C ATOM 470 OE1 GLN A 34 -0.788 15.176 -2.496 1.00 0.00 O ATOM 471 NE2 GLN A 34 -2.737 14.395 -3.094 1.00 0.00 N ATOM 0 H GLN A 34 -0.708 12.671 -6.633 1.00 0.00 H new ATOM 0 HA GLN A 34 0.778 12.070 -4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.203 12.390 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.616 10.949 -3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.391 12.344 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.112 12.813 -2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.337 13.590 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.102 15.340 -3.215 1.00 0.00 H new ATOM 480 N VAL A 35 0.931 9.771 -5.122 1.00 0.00 N ATOM 481 CA VAL A 35 1.043 8.422 -5.746 1.00 0.00 C ATOM 482 C VAL A 35 0.570 7.364 -4.748 1.00 0.00 C ATOM 483 O VAL A 35 0.671 7.541 -3.549 1.00 0.00 O ATOM 484 CB VAL A 35 2.500 8.155 -6.123 1.00 0.00 C ATOM 485 CG1 VAL A 35 2.571 6.971 -7.089 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.084 9.397 -6.797 1.00 0.00 C ATOM 0 H VAL A 35 1.693 10.022 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 35 0.424 8.380 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 35 3.071 7.923 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.610 6.782 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.153 6.085 -6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.000 7.201 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.123 9.210 -7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.511 9.627 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.034 10.241 -6.109 1.00 0.00 H new ATOM 496 N TYR A 36 0.051 6.267 -5.226 1.00 0.00 N ATOM 497 CA TYR A 36 -0.429 5.209 -4.294 1.00 0.00 C ATOM 498 C TYR A 36 0.053 3.837 -4.772 1.00 0.00 C ATOM 499 O TYR A 36 -0.513 3.247 -5.671 1.00 0.00 O ATOM 500 CB TYR A 36 -1.958 5.228 -4.249 1.00 0.00 C ATOM 501 CG TYR A 36 -2.419 6.364 -3.366 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.266 6.277 -1.978 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.998 7.504 -3.936 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.693 7.329 -1.158 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.425 8.557 -3.117 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.272 8.469 -1.727 1.00 0.00 C ATOM 507 OH TYR A 36 -3.692 9.507 -0.920 1.00 0.00 O ATOM 0 H TYR A 36 -0.061 6.058 -6.218 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.031 5.399 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.361 5.348 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.334 4.279 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.818 5.398 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.115 7.572 -5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.575 7.261 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.872 9.436 -3.557 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.069 10.221 -1.475 1.00 0.00 H new ATOM 517 N ASN A 37 1.092 3.325 -4.172 1.00 0.00 N ATOM 518 CA ASN A 37 1.610 1.989 -4.582 1.00 0.00 C ATOM 519 C ASN A 37 0.993 0.916 -3.684 1.00 0.00 C ATOM 520 O ASN A 37 1.295 0.831 -2.510 1.00 0.00 O ATOM 521 CB ASN A 37 3.131 1.962 -4.431 1.00 0.00 C ATOM 522 CG ASN A 37 3.748 3.082 -5.269 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.064 3.997 -5.681 1.00 0.00 O ATOM 524 ND2 ASN A 37 5.025 3.049 -5.540 1.00 0.00 N ATOM 0 H ASN A 37 1.606 3.775 -3.414 1.00 0.00 H new ATOM 0 HA ASN A 37 1.346 1.797 -5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.405 2.085 -3.383 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.522 0.996 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.447 3.791 -6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.600 2.281 -5.194 1.00 0.00 H new ATOM 531 N LYS A 38 0.130 0.099 -4.218 1.00 0.00 N ATOM 532 CA LYS A 38 -0.500 -0.959 -3.381 1.00 0.00 C ATOM 533 C LYS A 38 -0.920 -2.136 -4.260 1.00 0.00 C ATOM 534 O LYS A 38 -1.134 -1.998 -5.449 1.00 0.00 O ATOM 535 CB LYS A 38 -1.735 -0.381 -2.684 1.00 0.00 C ATOM 536 CG LYS A 38 -1.352 0.110 -1.285 1.00 0.00 C ATOM 537 CD LYS A 38 -2.613 0.542 -0.531 1.00 0.00 C ATOM 538 CE LYS A 38 -3.042 1.932 -1.002 1.00 0.00 C ATOM 539 NZ LYS A 38 -4.212 2.390 -0.200 1.00 0.00 N ATOM 0 H LYS A 38 -0.166 0.117 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 38 0.218 -1.305 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.144 0.442 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.514 -1.140 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.842 -0.682 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.656 0.946 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.416 -0.175 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.421 0.554 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.216 2.635 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.301 1.905 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.504 3.335 -0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.001 1.724 -0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.949 2.431 0.805 1.00 0.00 H new ATOM 553 N CYS A 39 -1.049 -3.293 -3.676 1.00 0.00 N ATOM 554 CA CYS A 39 -1.470 -4.484 -4.466 1.00 0.00 C ATOM 555 C CYS A 39 -2.970 -4.375 -4.731 1.00 0.00 C ATOM 556 O CYS A 39 -3.746 -4.098 -3.837 1.00 0.00 O ATOM 557 CB CYS A 39 -1.175 -5.756 -3.670 1.00 0.00 C ATOM 558 SG CYS A 39 0.612 -5.908 -3.425 1.00 0.00 S ATOM 0 H CYS A 39 -0.881 -3.467 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.925 -4.526 -5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.684 -5.722 -2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.556 -6.628 -4.202 1.00 0.00 H new ATOM 563 N TRP A 40 -3.390 -4.562 -5.950 1.00 0.00 N ATOM 564 CA TRP A 40 -4.836 -4.434 -6.254 1.00 0.00 C ATOM 565 C TRP A 40 -5.271 -5.552 -7.208 1.00 0.00 C ATOM 566 O TRP A 40 -4.455 -6.204 -7.830 1.00 0.00 O ATOM 567 CB TRP A 40 -5.060 -3.072 -6.904 1.00 0.00 C ATOM 568 CG TRP A 40 -6.435 -2.590 -6.608 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.542 -2.980 -7.267 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.868 -1.635 -5.598 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.637 -2.325 -6.728 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.270 -1.484 -5.694 1.00 0.00 C ATOM 573 CE3 TRP A 40 -6.185 -0.893 -4.618 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.973 -0.625 -4.846 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.886 -0.029 -3.763 1.00 0.00 C ATOM 576 CH2 TRP A 40 -8.278 0.104 -3.877 1.00 0.00 C ATOM 0 H TRP A 40 -2.795 -4.797 -6.744 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.425 -4.517 -5.341 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.327 -2.357 -6.532 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.915 -3.145 -7.982 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.572 -3.688 -8.082 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.596 -2.448 -7.054 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.113 -0.989 -4.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.044 -0.525 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.352 0.536 -3.014 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.813 0.770 -3.216 1.00 0.00 H new ATOM 587 N LYS A 41 -6.551 -5.784 -7.324 1.00 0.00 N ATOM 588 CA LYS A 41 -7.037 -6.861 -8.233 1.00 0.00 C ATOM 589 C LYS A 41 -7.284 -6.280 -9.628 1.00 0.00 C ATOM 590 O LYS A 41 -7.409 -5.084 -9.799 1.00 0.00 O ATOM 591 CB LYS A 41 -8.342 -7.443 -7.685 1.00 0.00 C ATOM 592 CG LYS A 41 -8.402 -8.941 -7.983 1.00 0.00 C ATOM 593 CD LYS A 41 -7.822 -9.721 -6.801 1.00 0.00 C ATOM 594 CE LYS A 41 -8.875 -9.833 -5.695 1.00 0.00 C ATOM 595 NZ LYS A 41 -9.851 -10.904 -6.043 1.00 0.00 N ATOM 0 H LYS A 41 -7.281 -5.273 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.286 -7.649 -8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.404 -7.273 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.195 -6.938 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.433 -9.246 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.841 -9.165 -8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.512 -10.715 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.933 -9.218 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.395 -10.059 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.392 -8.881 -5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.428 -11.132 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.469 -10.574 -6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.338 -11.754 -6.352 1.00 0.00 H new ATOM 609 N PHE A 42 -7.359 -7.118 -10.626 1.00 0.00 N ATOM 610 CA PHE A 42 -7.605 -6.615 -12.005 1.00 0.00 C ATOM 611 C PHE A 42 -9.097 -6.347 -12.175 1.00 0.00 C ATOM 612 O PHE A 42 -9.502 -5.452 -12.890 1.00 0.00 O ATOM 613 CB PHE A 42 -7.153 -7.665 -13.024 1.00 0.00 C ATOM 614 CG PHE A 42 -6.686 -6.977 -14.284 1.00 0.00 C ATOM 615 CD1 PHE A 42 -7.620 -6.522 -15.223 1.00 0.00 C ATOM 616 CD2 PHE A 42 -5.318 -6.797 -14.515 1.00 0.00 C ATOM 617 CE1 PHE A 42 -7.185 -5.885 -16.392 1.00 0.00 C ATOM 618 CE2 PHE A 42 -4.883 -6.160 -15.684 1.00 0.00 C ATOM 619 CZ PHE A 42 -5.816 -5.705 -16.622 1.00 0.00 C ATOM 0 H PHE A 42 -7.260 -8.130 -10.545 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.043 -5.695 -12.167 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.347 -8.269 -12.607 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.975 -8.344 -13.251 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.676 -6.662 -15.046 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.597 -7.149 -13.792 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.905 -5.533 -17.116 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.827 -6.020 -15.861 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.480 -5.215 -17.524 1.00 0.00 H new ATOM 629 N GLU A 43 -9.919 -7.118 -11.519 1.00 0.00 N ATOM 630 CA GLU A 43 -11.386 -6.911 -11.638 1.00 0.00 C ATOM 631 C GLU A 43 -11.767 -5.609 -10.930 1.00 0.00 C ATOM 632 O GLU A 43 -12.684 -4.919 -11.329 1.00 0.00 O ATOM 633 CB GLU A 43 -12.124 -8.084 -10.989 1.00 0.00 C ATOM 634 CG GLU A 43 -13.580 -8.096 -11.459 1.00 0.00 C ATOM 635 CD GLU A 43 -14.289 -9.328 -10.892 1.00 0.00 C ATOM 636 OE1 GLU A 43 -13.711 -10.400 -10.955 1.00 0.00 O ATOM 637 OE2 GLU A 43 -15.397 -9.178 -10.406 1.00 0.00 O ATOM 0 H GLU A 43 -9.636 -7.882 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.664 -6.851 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.638 -9.023 -11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.082 -7.997 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.087 -7.188 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.622 -8.108 -12.548 1.00 0.00 H new ATOM 644 N HIS A 44 -11.065 -5.267 -9.885 1.00 0.00 N ATOM 645 CA HIS A 44 -11.380 -4.008 -9.154 1.00 0.00 C ATOM 646 C HIS A 44 -10.604 -2.851 -9.788 1.00 0.00 C ATOM 647 O HIS A 44 -10.547 -1.761 -9.254 1.00 0.00 O ATOM 648 CB HIS A 44 -10.972 -4.151 -7.687 1.00 0.00 C ATOM 649 CG HIS A 44 -11.656 -5.347 -7.086 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.487 -5.704 -5.757 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.512 -6.279 -7.619 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.225 -6.808 -5.537 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.870 -7.201 -6.639 1.00 0.00 N ATOM 0 H HIS A 44 -10.286 -5.806 -9.506 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.450 -3.809 -9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.890 -4.261 -7.609 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.241 -3.250 -7.135 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.855 -6.295 -8.643 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.288 -7.315 -4.585 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.491 -8.004 -6.741 1.00 0.00 H new ATOM 661 N CYS A 45 -10.005 -3.079 -10.926 1.00 0.00 N ATOM 662 CA CYS A 45 -9.230 -1.995 -11.596 1.00 0.00 C ATOM 663 C CYS A 45 -10.153 -1.209 -12.530 1.00 0.00 C ATOM 664 O CYS A 45 -9.888 -1.075 -13.708 1.00 0.00 O ATOM 665 CB CYS A 45 -8.094 -2.614 -12.415 1.00 0.00 C ATOM 666 SG CYS A 45 -6.668 -2.923 -11.344 1.00 0.00 S ATOM 0 H CYS A 45 -10.019 -3.971 -11.421 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.817 -1.326 -10.841 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.427 -3.546 -12.871 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.812 -1.945 -13.228 1.00 0.00 H new ATOM 671 N ASN A 46 -11.234 -0.688 -12.017 1.00 0.00 N ATOM 672 CA ASN A 46 -12.167 0.088 -12.881 1.00 0.00 C ATOM 673 C ASN A 46 -12.371 1.485 -12.294 1.00 0.00 C ATOM 674 O ASN A 46 -11.787 1.836 -11.288 1.00 0.00 O ATOM 675 CB ASN A 46 -13.513 -0.636 -12.952 1.00 0.00 C ATOM 676 CG ASN A 46 -13.811 -1.293 -11.604 1.00 0.00 C ATOM 677 OD1 ASN A 46 -14.516 -0.737 -10.785 1.00 0.00 O ATOM 678 ND2 ASN A 46 -13.299 -2.463 -11.335 1.00 0.00 N ATOM 0 H ASN A 46 -11.511 -0.766 -11.038 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.745 0.176 -13.882 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -14.304 0.069 -13.208 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.491 -1.390 -13.739 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.491 -2.910 -10.438 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.707 -2.931 -12.022 1.00 0.00 H new ATOM 685 N PHE A 47 -13.196 2.285 -12.915 1.00 0.00 N ATOM 686 CA PHE A 47 -13.438 3.660 -12.393 1.00 0.00 C ATOM 687 C PHE A 47 -14.539 3.617 -11.331 1.00 0.00 C ATOM 688 O PHE A 47 -15.566 4.253 -11.460 1.00 0.00 O ATOM 689 CB PHE A 47 -13.870 4.572 -13.543 1.00 0.00 C ATOM 690 CG PHE A 47 -12.700 5.424 -13.972 1.00 0.00 C ATOM 691 CD1 PHE A 47 -11.778 4.927 -14.902 1.00 0.00 C ATOM 692 CD2 PHE A 47 -12.535 6.708 -13.439 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.691 5.715 -15.298 1.00 0.00 C ATOM 694 CE2 PHE A 47 -11.448 7.495 -13.836 1.00 0.00 C ATOM 695 CZ PHE A 47 -10.526 6.999 -14.767 1.00 0.00 C ATOM 0 H PHE A 47 -13.713 2.045 -13.761 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.521 4.047 -11.948 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -14.226 3.974 -14.382 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.699 5.205 -13.228 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.906 3.937 -15.313 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -13.246 7.091 -12.722 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.979 5.332 -16.014 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.320 8.485 -13.424 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.688 7.607 -15.075 1.00 0.00 H new ATOM 705 N ASN A 48 -14.329 2.871 -10.282 1.00 0.00 N ATOM 706 CA ASN A 48 -15.357 2.784 -9.208 1.00 0.00 C ATOM 707 C ASN A 48 -14.833 1.889 -8.083 1.00 0.00 C ATOM 708 O ASN A 48 -15.098 2.115 -6.920 1.00 0.00 O ATOM 709 CB ASN A 48 -16.646 2.186 -9.778 1.00 0.00 C ATOM 710 CG ASN A 48 -17.853 2.883 -9.149 1.00 0.00 C ATOM 711 OD1 ASN A 48 -18.076 4.057 -9.372 1.00 0.00 O ATOM 712 ND2 ASN A 48 -18.649 2.205 -8.367 1.00 0.00 N ATOM 0 H ASN A 48 -13.488 2.317 -10.122 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.564 3.781 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.667 2.306 -10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.684 1.116 -9.575 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.458 2.660 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -18.462 1.220 -8.180 1.00 0.00 H new ATOM 719 N ASP A 49 -14.085 0.872 -8.420 1.00 0.00 N ATOM 720 CA ASP A 49 -13.542 -0.036 -7.371 1.00 0.00 C ATOM 721 C ASP A 49 -12.307 0.604 -6.732 1.00 0.00 C ATOM 722 O ASP A 49 -12.020 0.396 -5.570 1.00 0.00 O ATOM 723 CB ASP A 49 -13.155 -1.374 -8.004 1.00 0.00 C ATOM 724 CG ASP A 49 -14.085 -2.472 -7.483 1.00 0.00 C ATOM 725 OD1 ASP A 49 -13.947 -2.838 -6.328 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.918 -2.928 -8.248 1.00 0.00 O ATOM 0 H ASP A 49 -13.827 0.632 -9.377 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.301 -0.203 -6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.224 -1.309 -9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.119 -1.616 -7.765 1.00 0.00 H new ATOM 731 N VAL A 50 -11.572 1.379 -7.483 1.00 0.00 N ATOM 732 CA VAL A 50 -10.357 2.030 -6.917 1.00 0.00 C ATOM 733 C VAL A 50 -10.696 3.453 -6.467 1.00 0.00 C ATOM 734 O VAL A 50 -10.246 3.911 -5.435 1.00 0.00 O ATOM 735 CB VAL A 50 -9.263 2.085 -7.985 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.102 2.944 -7.481 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.760 0.669 -8.275 1.00 0.00 C ATOM 0 H VAL A 50 -11.761 1.589 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.006 1.453 -6.062 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.669 2.520 -8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.322 2.984 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.459 3.953 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.697 2.508 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.981 0.708 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.354 0.233 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.587 0.056 -8.634 1.00 0.00 H new ATOM 747 N THR A 51 -11.483 4.157 -7.234 1.00 0.00 N ATOM 748 CA THR A 51 -11.845 5.550 -6.850 1.00 0.00 C ATOM 749 C THR A 51 -12.767 5.523 -5.630 1.00 0.00 C ATOM 750 O THR A 51 -13.009 6.534 -5.000 1.00 0.00 O ATOM 751 CB THR A 51 -12.565 6.230 -8.018 1.00 0.00 C ATOM 752 OG1 THR A 51 -13.151 5.239 -8.851 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.564 7.053 -8.830 1.00 0.00 C ATOM 0 H THR A 51 -11.890 3.828 -8.109 1.00 0.00 H new ATOM 0 HA THR A 51 -10.939 6.105 -6.607 1.00 0.00 H new ATOM 0 HB THR A 51 -13.343 6.889 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.614 5.672 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.079 7.536 -9.661 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.114 7.813 -8.191 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.784 6.398 -9.218 1.00 0.00 H new ATOM 761 N THR A 52 -13.289 4.376 -5.292 1.00 0.00 N ATOM 762 CA THR A 52 -14.195 4.286 -4.118 1.00 0.00 C ATOM 763 C THR A 52 -13.437 3.699 -2.926 1.00 0.00 C ATOM 764 O THR A 52 -13.528 4.191 -1.819 1.00 0.00 O ATOM 765 CB THR A 52 -15.373 3.378 -4.466 1.00 0.00 C ATOM 766 OG1 THR A 52 -16.009 3.859 -5.643 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.370 3.375 -3.312 1.00 0.00 C ATOM 0 H THR A 52 -13.125 3.496 -5.781 1.00 0.00 H new ATOM 0 HA THR A 52 -14.557 5.281 -3.859 1.00 0.00 H new ATOM 0 HB THR A 52 -15.013 2.363 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.585 3.459 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.211 2.727 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.881 3.007 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.731 4.389 -3.141 1.00 0.00 H new ATOM 775 N ARG A 53 -12.690 2.650 -3.141 1.00 0.00 N ATOM 776 CA ARG A 53 -11.932 2.036 -2.018 1.00 0.00 C ATOM 777 C ARG A 53 -10.986 3.078 -1.419 1.00 0.00 C ATOM 778 O ARG A 53 -10.834 3.177 -0.217 1.00 0.00 O ATOM 779 CB ARG A 53 -11.120 0.847 -2.539 1.00 0.00 C ATOM 780 CG ARG A 53 -11.939 -0.437 -2.387 1.00 0.00 C ATOM 781 CD ARG A 53 -11.098 -1.496 -1.671 1.00 0.00 C ATOM 782 NE ARG A 53 -11.657 -2.848 -1.953 1.00 0.00 N ATOM 783 CZ ARG A 53 -12.138 -3.574 -0.981 1.00 0.00 C ATOM 784 NH1 ARG A 53 -11.502 -3.643 0.157 1.00 0.00 N ATOM 785 NH2 ARG A 53 -13.254 -4.230 -1.146 1.00 0.00 N ATOM 0 H ARG A 53 -12.573 2.193 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.627 1.691 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.859 1.002 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.185 0.762 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.849 -0.236 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.247 -0.803 -3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.062 -1.442 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.095 -1.309 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.664 -3.207 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.630 -3.130 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.877 -4.210 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.751 -4.176 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.629 -4.797 -0.386 1.00 0.00 H new ATOM 799 N LEU A 54 -10.349 3.856 -2.249 1.00 0.00 N ATOM 800 CA LEU A 54 -9.415 4.891 -1.733 1.00 0.00 C ATOM 801 C LEU A 54 -10.192 6.173 -1.418 1.00 0.00 C ATOM 802 O LEU A 54 -9.653 7.115 -0.873 1.00 0.00 O ATOM 803 CB LEU A 54 -8.353 5.180 -2.794 1.00 0.00 C ATOM 804 CG LEU A 54 -7.759 3.859 -3.281 1.00 0.00 C ATOM 805 CD1 LEU A 54 -7.064 4.072 -4.627 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.741 3.352 -2.258 1.00 0.00 C ATOM 0 H LEU A 54 -10.436 3.818 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.935 4.532 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.794 5.724 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.570 5.814 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.557 3.126 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.641 3.128 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.788 4.434 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.267 4.806 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.316 2.410 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.945 4.088 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.235 3.197 -1.299 1.00 0.00 H new ATOM 818 N ARG A 55 -11.453 6.212 -1.753 1.00 0.00 N ATOM 819 CA ARG A 55 -12.266 7.428 -1.470 1.00 0.00 C ATOM 820 C ARG A 55 -11.757 8.602 -2.309 1.00 0.00 C ATOM 821 O ARG A 55 -11.691 9.724 -1.848 1.00 0.00 O ATOM 822 CB ARG A 55 -12.162 7.778 0.016 1.00 0.00 C ATOM 823 CG ARG A 55 -12.570 6.565 0.854 1.00 0.00 C ATOM 824 CD ARG A 55 -13.809 6.909 1.682 1.00 0.00 C ATOM 825 NE ARG A 55 -15.024 6.792 0.827 1.00 0.00 N ATOM 826 CZ ARG A 55 -15.970 7.687 0.910 1.00 0.00 C ATOM 827 NH1 ARG A 55 -16.632 7.838 2.025 1.00 0.00 N ATOM 828 NH2 ARG A 55 -16.256 8.432 -0.123 1.00 0.00 N ATOM 0 H ARG A 55 -11.956 5.452 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.307 7.230 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.142 8.076 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.806 8.627 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.778 5.715 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.751 6.271 1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.887 6.237 2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.726 7.921 2.078 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.116 6.012 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.410 7.256 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.371 8.538 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.740 8.315 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.995 9.132 -0.058 1.00 0.00 H new ATOM 842 N GLU A 56 -11.402 8.356 -3.541 1.00 0.00 N ATOM 843 CA GLU A 56 -10.905 9.463 -4.407 1.00 0.00 C ATOM 844 C GLU A 56 -11.912 9.713 -5.533 1.00 0.00 C ATOM 845 O GLU A 56 -13.004 9.180 -5.528 1.00 0.00 O ATOM 846 CB GLU A 56 -9.551 9.076 -5.005 1.00 0.00 C ATOM 847 CG GLU A 56 -8.478 9.131 -3.918 1.00 0.00 C ATOM 848 CD GLU A 56 -7.980 10.569 -3.761 1.00 0.00 C ATOM 849 OE1 GLU A 56 -8.814 11.456 -3.669 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.776 10.760 -3.736 1.00 0.00 O ATOM 0 H GLU A 56 -11.435 7.438 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.789 10.370 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.602 8.073 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.294 9.754 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.885 8.771 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.648 8.474 -4.179 1.00 0.00 H new ATOM 857 N ASN A 57 -11.558 10.517 -6.497 1.00 0.00 N ATOM 858 CA ASN A 57 -12.501 10.794 -7.618 1.00 0.00 C ATOM 859 C ASN A 57 -11.738 11.441 -8.772 1.00 0.00 C ATOM 860 O ASN A 57 -12.295 12.175 -9.564 1.00 0.00 O ATOM 861 CB ASN A 57 -13.602 11.743 -7.139 1.00 0.00 C ATOM 862 CG ASN A 57 -14.969 11.174 -7.522 1.00 0.00 C ATOM 863 OD1 ASN A 57 -15.842 11.900 -7.954 1.00 0.00 O ATOM 864 ND2 ASN A 57 -15.193 9.896 -7.380 1.00 0.00 N ATOM 0 H ASN A 57 -10.658 10.994 -6.558 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.950 9.860 -7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.540 11.873 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.468 12.728 -7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -16.101 9.506 -7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.460 9.287 -7.017 1.00 0.00 H new ATOM 871 N GLU A 58 -10.465 11.176 -8.873 1.00 0.00 N ATOM 872 CA GLU A 58 -9.666 11.778 -9.975 1.00 0.00 C ATOM 873 C GLU A 58 -8.229 11.258 -9.909 1.00 0.00 C ATOM 874 O GLU A 58 -7.347 11.906 -9.382 1.00 0.00 O ATOM 875 CB GLU A 58 -9.663 13.300 -9.826 1.00 0.00 C ATOM 876 CG GLU A 58 -9.474 13.942 -11.199 1.00 0.00 C ATOM 877 CD GLU A 58 -9.751 15.444 -11.104 1.00 0.00 C ATOM 878 OE1 GLU A 58 -10.891 15.802 -10.858 1.00 0.00 O ATOM 879 OE2 GLU A 58 -8.817 16.210 -11.277 1.00 0.00 O ATOM 0 H GLU A 58 -9.944 10.569 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.106 11.505 -10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.600 13.635 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.863 13.609 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.458 13.771 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.147 13.483 -11.923 1.00 0.00 H new ATOM 886 N LEU A 59 -7.986 10.092 -10.440 1.00 0.00 N ATOM 887 CA LEU A 59 -6.606 9.533 -10.405 1.00 0.00 C ATOM 888 C LEU A 59 -6.394 8.609 -11.605 1.00 0.00 C ATOM 889 O LEU A 59 -7.334 8.182 -12.247 1.00 0.00 O ATOM 890 CB LEU A 59 -6.412 8.738 -9.113 1.00 0.00 C ATOM 891 CG LEU A 59 -7.587 7.776 -8.927 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.085 6.333 -9.013 1.00 0.00 C ATOM 893 CD2 LEU A 59 -8.227 8.011 -7.557 1.00 0.00 C ATOM 0 H LEU A 59 -8.683 9.503 -10.896 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.885 10.350 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.475 8.182 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.345 9.416 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.326 7.951 -9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.922 5.648 -8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.629 6.164 -9.988 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.346 6.158 -8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.064 7.326 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.488 7.836 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.586 9.038 -7.494 1.00 0.00 H new ATOM 905 N THR A 60 -5.166 8.295 -11.912 1.00 0.00 N ATOM 906 CA THR A 60 -4.890 7.396 -13.067 1.00 0.00 C ATOM 907 C THR A 60 -4.360 6.057 -12.550 1.00 0.00 C ATOM 908 O THR A 60 -3.171 5.805 -12.555 1.00 0.00 O ATOM 909 CB THR A 60 -3.841 8.041 -13.978 1.00 0.00 C ATOM 910 OG1 THR A 60 -3.698 9.413 -13.634 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.284 7.922 -15.438 1.00 0.00 C ATOM 0 H THR A 60 -4.340 8.623 -11.412 1.00 0.00 H new ATOM 0 HA THR A 60 -5.809 7.234 -13.630 1.00 0.00 H new ATOM 0 HB THR A 60 -2.886 7.531 -13.850 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.026 9.827 -14.214 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.536 8.382 -16.084 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.393 6.870 -15.701 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.239 8.430 -15.571 1.00 0.00 H new ATOM 919 N TYR A 61 -5.233 5.199 -12.097 1.00 0.00 N ATOM 920 CA TYR A 61 -4.778 3.879 -11.573 1.00 0.00 C ATOM 921 C TYR A 61 -4.343 2.980 -12.733 1.00 0.00 C ATOM 922 O TYR A 61 -5.150 2.526 -13.518 1.00 0.00 O ATOM 923 CB TYR A 61 -5.917 3.205 -10.798 1.00 0.00 C ATOM 924 CG TYR A 61 -7.116 3.011 -11.698 1.00 0.00 C ATOM 925 CD1 TYR A 61 -8.038 4.051 -11.871 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.311 1.789 -12.354 1.00 0.00 C ATOM 927 CE1 TYR A 61 -9.152 3.870 -12.699 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.425 1.607 -13.183 1.00 0.00 C ATOM 929 CZ TYR A 61 -9.346 2.648 -13.355 1.00 0.00 C ATOM 930 OH TYR A 61 -10.445 2.469 -14.170 1.00 0.00 O ATOM 0 H TYR A 61 -6.241 5.354 -12.067 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.932 4.036 -10.904 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.584 2.242 -10.411 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.193 3.816 -9.938 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.889 4.994 -11.365 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.601 0.986 -12.220 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.862 4.673 -12.832 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.574 0.665 -13.689 1.00 0.00 H new ATOM 0 HH TYR A 61 -11.106 3.169 -13.986 1.00 0.00 H new ATOM 940 N TYR A 62 -3.069 2.714 -12.843 1.00 0.00 N ATOM 941 CA TYR A 62 -2.582 1.838 -13.946 1.00 0.00 C ATOM 942 C TYR A 62 -2.184 0.480 -13.362 1.00 0.00 C ATOM 943 O TYR A 62 -1.120 0.322 -12.799 1.00 0.00 O ATOM 944 CB TYR A 62 -1.370 2.487 -14.620 1.00 0.00 C ATOM 945 CG TYR A 62 -0.814 1.551 -15.667 1.00 0.00 C ATOM 946 CD1 TYR A 62 -1.360 1.542 -16.955 1.00 0.00 C ATOM 947 CD2 TYR A 62 0.248 0.695 -15.350 1.00 0.00 C ATOM 948 CE1 TYR A 62 -0.845 0.676 -17.928 1.00 0.00 C ATOM 949 CE2 TYR A 62 0.764 -0.171 -16.322 1.00 0.00 C ATOM 950 CZ TYR A 62 0.217 -0.181 -17.611 1.00 0.00 C ATOM 951 OH TYR A 62 0.724 -1.034 -18.571 1.00 0.00 O ATOM 0 H TYR A 62 -2.345 3.066 -12.216 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.370 1.703 -14.687 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.659 3.433 -15.079 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.605 2.714 -13.877 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.179 2.203 -17.199 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.669 0.703 -14.356 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.266 0.669 -18.922 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.583 -0.831 -16.078 1.00 0.00 H new ATOM 0 HH TYR A 62 1.458 -1.559 -18.188 1.00 0.00 H new ATOM 961 N CYS A 63 -3.039 -0.498 -13.480 1.00 0.00 N ATOM 962 CA CYS A 63 -2.718 -1.840 -12.917 1.00 0.00 C ATOM 963 C CYS A 63 -1.738 -2.571 -13.834 1.00 0.00 C ATOM 964 O CYS A 63 -1.649 -2.296 -15.014 1.00 0.00 O ATOM 965 CB CYS A 63 -4.008 -2.650 -12.778 1.00 0.00 C ATOM 966 SG CYS A 63 -5.273 -1.616 -11.997 1.00 0.00 S ATOM 0 H CYS A 63 -3.946 -0.426 -13.942 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.256 -1.721 -11.937 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.349 -2.986 -13.757 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.829 -3.543 -12.179 1.00 0.00 H new ATOM 971 N CYS A 64 -0.993 -3.498 -13.293 1.00 0.00 N ATOM 972 CA CYS A 64 -0.009 -4.246 -14.125 1.00 0.00 C ATOM 973 C CYS A 64 0.004 -5.715 -13.697 1.00 0.00 C ATOM 974 O CYS A 64 -0.689 -6.110 -12.781 1.00 0.00 O ATOM 975 CB CYS A 64 1.382 -3.642 -13.920 1.00 0.00 C ATOM 976 SG CYS A 64 2.407 -3.957 -15.378 1.00 0.00 S ATOM 0 H CYS A 64 -1.024 -3.769 -12.310 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.287 -4.177 -15.177 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.301 -2.569 -13.746 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.849 -4.074 -13.035 1.00 0.00 H new ATOM 981 N LYS A 65 0.787 -6.530 -14.353 1.00 0.00 N ATOM 982 CA LYS A 65 0.839 -7.971 -13.981 1.00 0.00 C ATOM 983 C LYS A 65 2.270 -8.489 -14.146 1.00 0.00 C ATOM 984 O LYS A 65 2.491 -9.584 -14.623 1.00 0.00 O ATOM 985 CB LYS A 65 -0.096 -8.764 -14.895 1.00 0.00 C ATOM 986 CG LYS A 65 0.328 -8.565 -16.351 1.00 0.00 C ATOM 987 CD LYS A 65 -0.441 -9.541 -17.243 1.00 0.00 C ATOM 988 CE LYS A 65 -0.806 -8.850 -18.558 1.00 0.00 C ATOM 989 NZ LYS A 65 -1.881 -9.622 -19.243 1.00 0.00 N ATOM 0 H LYS A 65 1.391 -6.259 -15.129 1.00 0.00 H new ATOM 0 HA LYS A 65 0.526 -8.091 -12.944 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.064 -9.822 -14.637 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.125 -8.433 -14.756 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.131 -7.539 -16.662 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.401 -8.729 -16.454 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.165 -10.425 -17.440 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.344 -9.880 -16.735 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.142 -7.831 -18.365 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.072 -8.780 -19.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.130 -9.153 -20.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.544 -10.586 -19.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.720 -9.667 -18.631 1.00 0.00 H new ATOM 1003 N LYS A 66 3.244 -7.711 -13.758 1.00 0.00 N ATOM 1004 CA LYS A 66 4.656 -8.163 -13.896 1.00 0.00 C ATOM 1005 C LYS A 66 5.377 -8.008 -12.555 1.00 0.00 C ATOM 1006 O LYS A 66 4.884 -7.373 -11.643 1.00 0.00 O ATOM 1007 CB LYS A 66 5.363 -7.318 -14.959 1.00 0.00 C ATOM 1008 CG LYS A 66 4.756 -7.613 -16.333 1.00 0.00 C ATOM 1009 CD LYS A 66 5.871 -7.697 -17.377 1.00 0.00 C ATOM 1010 CE LYS A 66 5.838 -9.070 -18.050 1.00 0.00 C ATOM 1011 NZ LYS A 66 4.539 -9.242 -18.761 1.00 0.00 N ATOM 0 H LYS A 66 3.122 -6.783 -13.352 1.00 0.00 H new ATOM 0 HA LYS A 66 4.673 -9.211 -14.197 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.260 -6.259 -14.724 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.430 -7.541 -14.966 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.200 -8.550 -16.303 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.047 -6.831 -16.605 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.745 -6.912 -18.123 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.840 -7.535 -16.904 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.665 -9.162 -18.754 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.964 -9.856 -17.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.674 -9.862 -19.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.844 -9.670 -18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.191 -8.315 -19.078 1.00 0.00 H new ATOM 1025 N ASP A 67 6.539 -8.586 -12.427 1.00 0.00 N ATOM 1026 CA ASP A 67 7.292 -8.477 -11.144 1.00 0.00 C ATOM 1027 C ASP A 67 7.652 -7.013 -10.881 1.00 0.00 C ATOM 1028 O ASP A 67 8.361 -6.392 -11.646 1.00 0.00 O ATOM 1029 CB ASP A 67 8.571 -9.308 -11.236 1.00 0.00 C ATOM 1030 CG ASP A 67 8.210 -10.788 -11.371 1.00 0.00 C ATOM 1031 OD1 ASP A 67 7.028 -11.092 -11.347 1.00 0.00 O ATOM 1032 OD2 ASP A 67 9.118 -11.591 -11.497 1.00 0.00 O ATOM 0 H ASP A 67 7.001 -9.130 -13.156 1.00 0.00 H new ATOM 0 HA ASP A 67 6.673 -8.848 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.164 -8.988 -12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.183 -9.152 -10.348 1.00 0.00 H new ATOM 1037 N LEU A 68 7.172 -6.460 -9.800 1.00 0.00 N ATOM 1038 CA LEU A 68 7.488 -5.041 -9.485 1.00 0.00 C ATOM 1039 C LEU A 68 7.201 -4.174 -10.712 1.00 0.00 C ATOM 1040 O LEU A 68 8.023 -3.387 -11.136 1.00 0.00 O ATOM 1041 CB LEU A 68 8.964 -4.922 -9.102 1.00 0.00 C ATOM 1042 CG LEU A 68 9.366 -6.122 -8.240 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.890 -6.231 -8.192 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.825 -5.935 -6.819 1.00 0.00 C ATOM 0 H LEU A 68 6.574 -6.932 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 68 6.872 -4.703 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.581 -4.882 -9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.135 -3.995 -8.556 1.00 0.00 H new ATOM 0 HG LEU A 68 8.950 -7.032 -8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.174 -7.086 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.277 -6.365 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.307 -5.320 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.111 -6.789 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.240 -5.024 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.738 -5.859 -6.851 1.00 0.00 H new ATOM 1056 N CYS A 69 6.040 -4.320 -11.286 1.00 0.00 N ATOM 1057 CA CYS A 69 5.692 -3.515 -12.490 1.00 0.00 C ATOM 1058 C CYS A 69 5.328 -2.088 -12.076 1.00 0.00 C ATOM 1059 O CYS A 69 5.390 -1.169 -12.868 1.00 0.00 O ATOM 1060 CB CYS A 69 4.494 -4.153 -13.190 1.00 0.00 C ATOM 1061 SG CYS A 69 4.264 -3.389 -14.815 1.00 0.00 S ATOM 0 H CYS A 69 5.314 -4.964 -10.972 1.00 0.00 H new ATOM 0 HA CYS A 69 6.548 -3.487 -13.164 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.653 -5.226 -13.300 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.596 -4.024 -12.586 1.00 0.00 H new ATOM 1066 N ASN A 70 4.938 -1.896 -10.846 1.00 0.00 N ATOM 1067 CA ASN A 70 4.559 -0.528 -10.393 1.00 0.00 C ATOM 1068 C ASN A 70 5.801 0.218 -9.898 1.00 0.00 C ATOM 1069 O ASN A 70 5.879 0.628 -8.758 1.00 0.00 O ATOM 1070 CB ASN A 70 3.534 -0.631 -9.260 1.00 0.00 C ATOM 1071 CG ASN A 70 4.213 -1.170 -7.998 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.682 -2.291 -7.978 1.00 0.00 O ATOM 1073 ND2 ASN A 70 4.282 -0.414 -6.937 1.00 0.00 N ATOM 0 H ASN A 70 4.865 -2.625 -10.137 1.00 0.00 H new ATOM 0 HA ASN A 70 4.123 0.020 -11.228 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.098 0.348 -9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.717 -1.289 -9.555 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.730 -0.764 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.888 0.527 -6.955 1.00 0.00 H new ATOM 1080 N PHE A 71 6.770 0.409 -10.752 1.00 0.00 N ATOM 1081 CA PHE A 71 7.998 1.140 -10.331 1.00 0.00 C ATOM 1082 C PHE A 71 7.852 2.613 -10.701 1.00 0.00 C ATOM 1083 O PHE A 71 8.820 3.315 -10.916 1.00 0.00 O ATOM 1084 CB PHE A 71 9.227 0.554 -11.035 1.00 0.00 C ATOM 1085 CG PHE A 71 8.867 0.162 -12.449 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.270 1.095 -13.306 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.130 -1.136 -12.903 1.00 0.00 C ATOM 1088 CE1 PHE A 71 7.937 0.729 -14.616 1.00 0.00 C ATOM 1089 CE2 PHE A 71 8.796 -1.502 -14.213 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.199 -0.569 -15.069 1.00 0.00 C ATOM 0 H PHE A 71 6.764 0.091 -11.721 1.00 0.00 H new ATOM 0 HA PHE A 71 8.127 1.039 -9.253 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.035 1.285 -11.045 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.591 -0.316 -10.488 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.066 2.096 -12.957 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.591 -1.856 -12.243 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.478 1.449 -15.277 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.999 -2.504 -14.563 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.941 -0.851 -16.079 1.00 0.00 H new ATOM 1100 N ASN A 72 6.641 3.083 -10.776 1.00 0.00 N ATOM 1101 CA ASN A 72 6.410 4.510 -11.131 1.00 0.00 C ATOM 1102 C ASN A 72 7.114 4.832 -12.453 1.00 0.00 C ATOM 1103 O ASN A 72 8.056 5.598 -12.494 1.00 0.00 O ATOM 1104 CB ASN A 72 6.965 5.405 -10.023 1.00 0.00 C ATOM 1105 CG ASN A 72 6.165 5.180 -8.740 1.00 0.00 C ATOM 1106 OD1 ASN A 72 6.619 4.504 -7.838 1.00 0.00 O ATOM 1107 ND2 ASN A 72 4.982 5.717 -8.620 1.00 0.00 N ATOM 0 H ASN A 72 5.796 2.538 -10.606 1.00 0.00 H new ATOM 0 HA ASN A 72 5.340 4.688 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.018 5.181 -9.852 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.907 6.451 -10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.439 5.569 -7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.600 6.285 -9.377 1.00 0.00 H new ATOM 1114 N GLU A 73 6.662 4.254 -13.533 1.00 0.00 N ATOM 1115 CA GLU A 73 7.304 4.529 -14.850 1.00 0.00 C ATOM 1116 C GLU A 73 6.586 3.738 -15.946 1.00 0.00 C ATOM 1117 O GLU A 73 7.205 3.063 -16.744 1.00 0.00 O ATOM 1118 CB GLU A 73 8.776 4.114 -14.799 1.00 0.00 C ATOM 1119 CG GLU A 73 9.500 4.643 -16.040 1.00 0.00 C ATOM 1120 CD GLU A 73 10.979 4.860 -15.714 1.00 0.00 C ATOM 1121 OE1 GLU A 73 11.263 5.700 -14.876 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.802 4.183 -16.307 1.00 0.00 O ATOM 0 H GLU A 73 5.877 3.604 -13.560 1.00 0.00 H new ATOM 0 HA GLU A 73 7.236 5.594 -15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.244 4.507 -13.897 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.857 3.028 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.398 3.935 -16.863 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.047 5.579 -16.367 1.00 0.00 H new ATOM 1129 N GLN A 74 5.283 3.817 -15.993 1.00 0.00 N ATOM 1130 CA GLN A 74 4.525 3.073 -17.038 1.00 0.00 C ATOM 1131 C GLN A 74 3.253 3.847 -17.386 1.00 0.00 C ATOM 1132 O GLN A 74 2.267 3.280 -17.815 1.00 0.00 O ATOM 1133 CB GLN A 74 4.151 1.685 -16.513 1.00 0.00 C ATOM 1134 CG GLN A 74 3.958 0.728 -17.691 1.00 0.00 C ATOM 1135 CD GLN A 74 4.799 -0.530 -17.472 1.00 0.00 C ATOM 1136 OE1 GLN A 74 4.266 -1.605 -17.273 1.00 0.00 O ATOM 1137 NE2 GLN A 74 6.100 -0.444 -17.503 1.00 0.00 N ATOM 0 H GLN A 74 4.711 4.366 -15.351 1.00 0.00 H new ATOM 0 HA GLN A 74 5.144 2.966 -17.929 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.933 1.312 -15.852 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.236 1.742 -15.923 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.905 0.462 -17.788 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.250 1.216 -18.621 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.548 0.457 -17.670 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.670 -1.278 -17.360 1.00 0.00 H new ATOM 1146 N LEU A 75 3.266 5.139 -17.202 1.00 0.00 N ATOM 1147 CA LEU A 75 2.057 5.950 -17.518 1.00 0.00 C ATOM 1148 C LEU A 75 2.423 7.048 -18.520 1.00 0.00 C ATOM 1149 O LEU A 75 1.717 7.285 -19.480 1.00 0.00 O ATOM 1150 CB LEU A 75 1.524 6.589 -16.235 1.00 0.00 C ATOM 1151 CG LEU A 75 0.775 5.540 -15.414 1.00 0.00 C ATOM 1152 CD1 LEU A 75 1.403 5.436 -14.023 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -0.693 5.952 -15.280 1.00 0.00 C ATOM 0 H LEU A 75 4.062 5.668 -16.846 1.00 0.00 H new ATOM 0 HA LEU A 75 1.291 5.306 -17.950 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.348 7.001 -15.652 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.859 7.418 -16.478 1.00 0.00 H new ATOM 0 HG LEU A 75 0.839 4.574 -15.914 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.869 4.688 -13.438 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.449 5.144 -14.117 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.339 6.402 -13.522 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.229 5.205 -14.695 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.755 6.918 -14.779 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.142 6.027 -16.271 1.00 0.00 H new