USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 58:sc= 1.16 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 169:sc= -4.24! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.2) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot -55:sc= 0.0696 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -3.54! C(o=-3.5!,f=-4.8!) USER MOD Single : A 56 SER OG : rot 160:sc= -0.2 USER MOD Single : A 58 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 170:sc= -0.793 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 140:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.963 -17.642 -19.742 1.00 0.00 N ATOM 2 CA ALA A 1 -4.506 -17.746 -20.036 1.00 0.00 C ATOM 3 C ALA A 1 -3.675 -17.556 -18.772 1.00 0.00 C ATOM 4 O ALA A 1 -3.357 -16.430 -18.384 1.00 0.00 O ATOM 5 CB ALA A 1 -4.100 -16.727 -21.093 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.505 -17.775 -20.620 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.232 -18.375 -19.055 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.171 -16.703 -19.346 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.313 -18.747 -20.422 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.033 -16.818 -21.295 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.660 -16.911 -22.010 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.317 -15.722 -20.732 1.00 0.00 H new ATOM 13 N VAL A 2 -3.321 -18.664 -18.130 1.00 0.00 N ATOM 14 CA VAL A 2 -2.523 -18.623 -16.913 1.00 0.00 C ATOM 15 C VAL A 2 -1.201 -17.904 -17.144 1.00 0.00 C ATOM 16 O VAL A 2 -0.931 -17.413 -18.239 1.00 0.00 O ATOM 17 CB VAL A 2 -2.237 -20.036 -16.372 1.00 0.00 C ATOM 18 CG1 VAL A 2 -3.512 -20.669 -15.836 1.00 0.00 C ATOM 19 CG2 VAL A 2 -1.614 -20.906 -17.454 1.00 0.00 C ATOM 0 H VAL A 2 -3.576 -19.604 -18.434 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.109 -18.074 -16.176 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.526 -19.955 -15.550 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.291 -21.667 -15.458 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.911 -20.055 -15.029 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.248 -20.739 -16.637 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.419 -21.901 -17.053 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.299 -20.983 -18.298 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.677 -20.458 -17.786 1.00 0.00 H new ATOM 29 N LEU A 3 -0.389 -17.814 -16.098 1.00 0.00 N ATOM 30 CA LEU A 3 0.870 -17.125 -16.172 1.00 0.00 C ATOM 31 C LEU A 3 1.883 -17.823 -17.030 1.00 0.00 C ATOM 32 O LEU A 3 1.801 -19.020 -17.289 1.00 0.00 O ATOM 33 CB LEU A 3 1.459 -16.968 -14.771 1.00 0.00 C ATOM 34 CG LEU A 3 1.261 -15.595 -14.141 1.00 0.00 C ATOM 35 CD1 LEU A 3 1.040 -14.556 -15.205 1.00 0.00 C ATOM 36 CD2 LEU A 3 0.116 -15.609 -13.145 1.00 0.00 C ATOM 0 H LEU A 3 -0.593 -18.218 -15.184 1.00 0.00 H new ATOM 0 HA LEU A 3 0.658 -16.158 -16.627 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.012 -17.718 -14.119 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.527 -17.180 -14.816 1.00 0.00 H new ATOM 0 HG LEU A 3 2.168 -15.337 -13.594 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.900 -13.581 -14.738 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.907 -14.521 -15.865 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.153 -14.811 -15.784 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.001 -14.616 -12.712 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.805 -15.894 -13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.331 -16.327 -12.354 1.00 0.00 H new ATOM 48 N ASP A 4 2.866 -17.042 -17.447 1.00 0.00 N ATOM 49 CA ASP A 4 3.932 -17.545 -18.251 1.00 0.00 C ATOM 50 C ASP A 4 4.921 -18.289 -17.361 1.00 0.00 C ATOM 51 O ASP A 4 4.576 -19.303 -16.763 1.00 0.00 O ATOM 52 CB ASP A 4 4.600 -16.396 -19.021 1.00 0.00 C ATOM 53 CG ASP A 4 5.627 -16.891 -20.021 1.00 0.00 C ATOM 54 OD1 ASP A 4 5.421 -17.980 -20.592 1.00 0.00 O ATOM 55 OD2 ASP A 4 6.639 -16.187 -20.230 1.00 0.00 O ATOM 0 H ASP A 4 2.934 -16.047 -17.231 1.00 0.00 H new ATOM 0 HA ASP A 4 3.547 -18.246 -18.991 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.836 -15.820 -19.543 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.081 -15.720 -18.314 1.00 0.00 H new ATOM 60 N LEU A 5 6.133 -17.779 -17.255 1.00 0.00 N ATOM 61 CA LEU A 5 7.149 -18.389 -16.427 1.00 0.00 C ATOM 62 C LEU A 5 7.200 -17.777 -15.022 1.00 0.00 C ATOM 63 O LEU A 5 6.175 -17.426 -14.452 1.00 0.00 O ATOM 64 CB LEU A 5 8.513 -18.286 -17.134 1.00 0.00 C ATOM 65 CG LEU A 5 9.125 -16.879 -17.265 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.081 -15.784 -17.036 1.00 0.00 C ATOM 67 CD2 LEU A 5 10.334 -16.728 -16.332 1.00 0.00 C ATOM 0 H LEU A 5 6.438 -16.934 -17.739 1.00 0.00 H new ATOM 0 HA LEU A 5 6.893 -19.440 -16.290 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.222 -18.916 -16.597 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.409 -18.705 -18.135 1.00 0.00 H new ATOM 0 HG LEU A 5 9.480 -16.758 -18.289 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.551 -14.806 -17.137 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.284 -15.881 -17.773 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.663 -15.884 -16.034 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.753 -15.727 -16.439 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.019 -16.881 -15.300 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.090 -17.468 -16.594 1.00 0.00 H new ATOM 79 N ASP A 6 8.406 -17.675 -14.473 1.00 0.00 N ATOM 80 CA ASP A 6 8.634 -17.130 -13.154 1.00 0.00 C ATOM 81 C ASP A 6 8.645 -15.603 -13.170 1.00 0.00 C ATOM 82 O ASP A 6 8.467 -14.966 -12.140 1.00 0.00 O ATOM 83 CB ASP A 6 9.973 -17.638 -12.634 1.00 0.00 C ATOM 84 CG ASP A 6 9.819 -18.823 -11.707 1.00 0.00 C ATOM 85 OD1 ASP A 6 8.866 -18.822 -10.901 1.00 0.00 O ATOM 86 OD2 ASP A 6 10.644 -19.757 -11.792 1.00 0.00 O ATOM 0 H ASP A 6 9.259 -17.975 -14.944 1.00 0.00 H new ATOM 0 HA ASP A 6 7.821 -17.453 -12.504 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.604 -17.919 -13.477 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.485 -16.832 -12.108 1.00 0.00 H new ATOM 91 N VAL A 7 8.803 -15.027 -14.352 1.00 0.00 N ATOM 92 CA VAL A 7 8.781 -13.591 -14.523 1.00 0.00 C ATOM 93 C VAL A 7 7.497 -13.185 -15.216 1.00 0.00 C ATOM 94 O VAL A 7 7.500 -12.659 -16.329 1.00 0.00 O ATOM 95 CB VAL A 7 9.992 -13.039 -15.300 1.00 0.00 C ATOM 96 CG1 VAL A 7 11.270 -13.348 -14.550 1.00 0.00 C ATOM 97 CG2 VAL A 7 10.070 -13.571 -16.725 1.00 0.00 C ATOM 0 H VAL A 7 8.950 -15.547 -15.217 1.00 0.00 H new ATOM 0 HA VAL A 7 8.836 -13.157 -13.525 1.00 0.00 H new ATOM 0 HB VAL A 7 9.862 -11.959 -15.376 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.122 -12.955 -15.105 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.234 -12.885 -13.564 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.375 -14.427 -14.440 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.942 -13.148 -17.224 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.155 -14.657 -16.704 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.169 -13.288 -17.269 1.00 0.00 H new ATOM 107 N ARG A 8 6.396 -13.467 -14.559 1.00 0.00 N ATOM 108 CA ARG A 8 5.101 -13.183 -15.087 1.00 0.00 C ATOM 109 C ARG A 8 4.801 -11.689 -15.136 1.00 0.00 C ATOM 110 O ARG A 8 5.681 -10.851 -14.932 1.00 0.00 O ATOM 111 CB ARG A 8 4.087 -13.901 -14.215 1.00 0.00 C ATOM 112 CG ARG A 8 4.365 -15.384 -14.084 1.00 0.00 C ATOM 113 CD ARG A 8 3.938 -15.894 -12.718 1.00 0.00 C ATOM 114 NE ARG A 8 4.185 -17.325 -12.549 1.00 0.00 N ATOM 115 CZ ARG A 8 3.242 -18.217 -12.235 1.00 0.00 C ATOM 116 NH1 ARG A 8 1.991 -17.833 -12.049 1.00 0.00 N ATOM 117 NH2 ARG A 8 3.558 -19.489 -12.091 1.00 0.00 N ATOM 0 H ARG A 8 6.384 -13.903 -13.637 1.00 0.00 H new ATOM 0 HA ARG A 8 5.053 -13.531 -16.119 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.083 -13.448 -13.223 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.091 -13.759 -14.634 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.832 -15.929 -14.863 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.428 -15.574 -14.232 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.474 -15.343 -11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.876 -15.693 -12.575 1.00 0.00 H new ATOM 0 HE ARG A 8 5.138 -17.664 -12.679 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.740 -16.849 -12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.277 -18.521 -11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.523 -19.792 -12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.837 -20.170 -11.851 1.00 0.00 H new ATOM 131 N THR A 9 3.536 -11.370 -15.416 1.00 0.00 N ATOM 132 CA THR A 9 3.058 -10.008 -15.517 1.00 0.00 C ATOM 133 C THR A 9 4.103 -9.059 -16.110 1.00 0.00 C ATOM 134 O THR A 9 4.242 -7.912 -15.686 1.00 0.00 O ATOM 135 CB THR A 9 2.537 -9.518 -14.169 1.00 0.00 C ATOM 136 OG1 THR A 9 3.429 -8.603 -13.560 1.00 0.00 O ATOM 137 CG2 THR A 9 2.266 -10.641 -13.188 1.00 0.00 C ATOM 0 H THR A 9 2.811 -12.068 -15.580 1.00 0.00 H new ATOM 0 HA THR A 9 2.225 -10.008 -16.219 1.00 0.00 H new ATOM 0 HB THR A 9 1.594 -9.023 -14.400 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.576 -7.841 -14.159 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.898 -10.224 -12.250 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.517 -11.315 -13.604 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.188 -11.193 -13.003 1.00 0.00 H new ATOM 145 N CYS A 10 4.828 -9.564 -17.106 1.00 0.00 N ATOM 146 CA CYS A 10 5.864 -8.793 -17.792 1.00 0.00 C ATOM 147 C CYS A 10 6.886 -8.244 -16.799 1.00 0.00 C ATOM 148 O CYS A 10 6.743 -8.420 -15.590 1.00 0.00 O ATOM 149 CB CYS A 10 5.228 -7.656 -18.600 1.00 0.00 C ATOM 150 SG CYS A 10 5.488 -7.786 -20.402 1.00 0.00 S ATOM 0 H CYS A 10 4.715 -10.514 -17.459 1.00 0.00 H new ATOM 0 HA CYS A 10 6.390 -9.457 -18.478 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.157 -7.637 -18.399 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.635 -6.706 -18.253 1.00 0.00 H new ATOM 155 N LEU A 11 7.922 -7.589 -17.314 1.00 0.00 N ATOM 156 CA LEU A 11 8.969 -7.028 -16.465 1.00 0.00 C ATOM 157 C LEU A 11 8.595 -5.628 -15.974 1.00 0.00 C ATOM 158 O LEU A 11 7.818 -4.918 -16.618 1.00 0.00 O ATOM 159 CB LEU A 11 10.298 -6.988 -17.224 1.00 0.00 C ATOM 160 CG LEU A 11 11.272 -8.113 -16.878 1.00 0.00 C ATOM 161 CD1 LEU A 11 10.756 -9.448 -17.388 1.00 0.00 C ATOM 162 CD2 LEU A 11 12.647 -7.821 -17.451 1.00 0.00 C ATOM 0 H LEU A 11 8.059 -7.434 -18.313 1.00 0.00 H new ATOM 0 HA LEU A 11 9.077 -7.671 -15.592 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.090 -7.024 -18.293 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.784 -6.033 -17.026 1.00 0.00 H new ATOM 0 HG LEU A 11 11.354 -8.171 -15.793 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.465 -10.235 -17.131 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.791 -9.665 -16.929 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.641 -9.404 -18.471 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.328 -8.633 -17.195 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.578 -7.734 -18.535 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.024 -6.887 -17.035 1.00 0.00 H new ATOM 174 N PRO A 12 9.131 -5.214 -14.811 1.00 0.00 N ATOM 175 CA PRO A 12 8.832 -3.905 -14.251 1.00 0.00 C ATOM 176 C PRO A 12 9.210 -2.760 -15.179 1.00 0.00 C ATOM 177 O PRO A 12 9.900 -2.939 -16.183 1.00 0.00 O ATOM 178 CB PRO A 12 9.684 -3.801 -12.996 1.00 0.00 C ATOM 179 CG PRO A 12 10.236 -5.152 -12.724 1.00 0.00 C ATOM 180 CD PRO A 12 10.041 -5.996 -13.959 1.00 0.00 C ATOM 0 HA PRO A 12 7.760 -3.822 -14.072 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.488 -3.078 -13.136 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.086 -3.453 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.294 -5.087 -12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.731 -5.604 -11.870 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.989 -6.185 -14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.613 -6.967 -13.711 1.00 0.00 H new ATOM 188 N CYS A 13 8.734 -1.577 -14.822 1.00 0.00 N ATOM 189 CA CYS A 13 8.971 -0.393 -15.587 1.00 0.00 C ATOM 190 C CYS A 13 9.501 0.737 -14.707 1.00 0.00 C ATOM 191 O CYS A 13 9.923 0.520 -13.569 1.00 0.00 O ATOM 192 CB CYS A 13 7.665 0.030 -16.260 1.00 0.00 C ATOM 193 SG CYS A 13 7.534 -0.409 -18.017 1.00 0.00 S ATOM 0 H CYS A 13 8.170 -1.425 -13.986 1.00 0.00 H new ATOM 0 HA CYS A 13 9.728 -0.605 -16.342 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.833 -0.425 -15.724 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.555 1.110 -16.161 1.00 0.00 H new ATOM 198 N GLY A 14 9.438 1.951 -15.238 1.00 0.00 N ATOM 199 CA GLY A 14 9.873 3.108 -14.493 1.00 0.00 C ATOM 200 C GLY A 14 11.281 2.983 -13.953 1.00 0.00 C ATOM 201 O GLY A 14 12.158 2.414 -14.604 1.00 0.00 O ATOM 0 H GLY A 14 9.091 2.152 -16.176 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.815 3.987 -15.135 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.187 3.275 -13.662 1.00 0.00 H new ATOM 205 N PRO A 15 11.517 3.533 -12.759 1.00 0.00 N ATOM 206 CA PRO A 15 12.823 3.524 -12.099 1.00 0.00 C ATOM 207 C PRO A 15 13.059 2.274 -11.244 1.00 0.00 C ATOM 208 O PRO A 15 12.479 2.128 -10.169 1.00 0.00 O ATOM 209 CB PRO A 15 12.700 4.769 -11.229 1.00 0.00 C ATOM 210 CG PRO A 15 11.298 4.698 -10.751 1.00 0.00 C ATOM 211 CD PRO A 15 10.513 4.251 -11.951 1.00 0.00 C ATOM 0 HA PRO A 15 13.663 3.516 -12.794 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.410 4.757 -10.402 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.888 5.680 -11.797 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.196 3.994 -9.925 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.953 5.666 -10.389 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.683 3.603 -11.671 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.089 5.096 -12.493 1.00 0.00 H new ATOM 219 N GLY A 16 13.907 1.377 -11.741 1.00 0.00 N ATOM 220 CA GLY A 16 14.205 0.146 -11.025 1.00 0.00 C ATOM 221 C GLY A 16 13.247 -0.978 -11.374 1.00 0.00 C ATOM 222 O GLY A 16 13.624 -1.957 -12.028 1.00 0.00 O ATOM 0 H GLY A 16 14.395 1.481 -12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.224 -0.166 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.163 0.335 -9.952 1.00 0.00 H new ATOM 226 N GLY A 17 12.008 -0.820 -10.947 1.00 0.00 N ATOM 227 CA GLY A 17 10.981 -1.797 -11.224 1.00 0.00 C ATOM 228 C GLY A 17 9.664 -1.440 -10.586 1.00 0.00 C ATOM 229 O GLY A 17 8.904 -2.305 -10.151 1.00 0.00 O ATOM 0 H GLY A 17 11.691 -0.017 -10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.848 -1.885 -12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.304 -2.773 -10.862 1.00 0.00 H new ATOM 233 N LYS A 18 9.438 -0.147 -10.480 1.00 0.00 N ATOM 234 CA LYS A 18 8.264 0.383 -9.854 1.00 0.00 C ATOM 235 C LYS A 18 7.046 -0.026 -10.629 1.00 0.00 C ATOM 236 O LYS A 18 6.129 -0.639 -10.085 1.00 0.00 O ATOM 237 CB LYS A 18 8.400 1.898 -9.791 1.00 0.00 C ATOM 238 CG LYS A 18 8.804 2.455 -8.440 1.00 0.00 C ATOM 239 CD LYS A 18 9.714 1.497 -7.710 1.00 0.00 C ATOM 240 CE LYS A 18 10.166 2.046 -6.371 1.00 0.00 C ATOM 241 NZ LYS A 18 9.299 1.574 -5.257 1.00 0.00 N ATOM 0 H LYS A 18 10.077 0.566 -10.833 1.00 0.00 H new ATOM 0 HA LYS A 18 8.156 -0.008 -8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.137 2.212 -10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.449 2.344 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.309 3.412 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.914 2.645 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.195 0.551 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.587 1.285 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.196 1.743 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.155 3.135 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.641 1.971 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.321 1.885 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.329 0.535 -5.210 1.00 0.00 H new ATOM 255 N GLY A 19 7.049 0.278 -11.898 1.00 0.00 N ATOM 256 CA GLY A 19 5.960 -0.109 -12.730 1.00 0.00 C ATOM 257 C GLY A 19 6.231 -1.395 -13.468 1.00 0.00 C ATOM 258 O GLY A 19 6.997 -2.251 -13.026 1.00 0.00 O ATOM 0 H GLY A 19 7.794 0.791 -12.370 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.064 -0.225 -12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.756 0.684 -13.450 1.00 0.00 H new ATOM 262 N ARG A 20 5.616 -1.469 -14.623 1.00 0.00 N ATOM 263 CA ARG A 20 5.753 -2.582 -15.518 1.00 0.00 C ATOM 264 C ARG A 20 5.283 -2.141 -16.901 1.00 0.00 C ATOM 265 O ARG A 20 4.808 -1.019 -17.057 1.00 0.00 O ATOM 266 CB ARG A 20 4.961 -3.757 -14.999 1.00 0.00 C ATOM 267 CG ARG A 20 3.485 -3.508 -15.034 1.00 0.00 C ATOM 268 CD ARG A 20 2.727 -4.742 -15.472 1.00 0.00 C ATOM 269 NE ARG A 20 2.114 -5.430 -14.339 1.00 0.00 N ATOM 270 CZ ARG A 20 0.836 -5.792 -14.288 1.00 0.00 C ATOM 271 NH1 ARG A 20 0.021 -5.536 -15.302 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.367 -6.413 -13.216 1.00 0.00 N ATOM 0 H ARG A 20 4.994 -0.739 -14.971 1.00 0.00 H new ATOM 0 HA ARG A 20 6.793 -2.902 -15.587 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.192 -4.640 -15.595 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.266 -3.974 -13.975 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.143 -3.201 -14.046 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.269 -2.686 -15.716 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.955 -4.460 -16.188 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.405 -5.422 -15.987 1.00 0.00 H new ATOM 0 HE ARG A 20 2.704 -5.647 -13.536 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.373 -5.057 -16.131 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.958 -5.818 -15.253 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.986 -6.613 -12.431 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.614 -6.691 -13.176 1.00 0.00 H new ATOM 286 N CYS A 21 5.414 -3.000 -17.897 1.00 0.00 N ATOM 287 CA CYS A 21 4.998 -2.653 -19.253 1.00 0.00 C ATOM 288 C CYS A 21 3.635 -3.241 -19.560 1.00 0.00 C ATOM 289 O CYS A 21 3.306 -4.327 -19.090 1.00 0.00 O ATOM 290 CB CYS A 21 6.014 -3.163 -20.258 1.00 0.00 C ATOM 291 SG CYS A 21 7.059 -1.858 -20.969 1.00 0.00 S ATOM 0 H CYS A 21 5.802 -3.938 -17.798 1.00 0.00 H new ATOM 0 HA CYS A 21 4.936 -1.567 -19.325 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.651 -3.902 -19.773 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.489 -3.675 -21.064 1.00 0.00 H new ATOM 296 N PHE A 22 2.830 -2.527 -20.342 1.00 0.00 N ATOM 297 CA PHE A 22 1.497 -3.013 -20.686 1.00 0.00 C ATOM 298 C PHE A 22 1.336 -3.191 -22.198 1.00 0.00 C ATOM 299 O PHE A 22 0.323 -3.714 -22.658 1.00 0.00 O ATOM 300 CB PHE A 22 0.442 -2.053 -20.138 1.00 0.00 C ATOM 301 CG PHE A 22 0.275 -2.164 -18.661 1.00 0.00 C ATOM 302 CD1 PHE A 22 1.362 -2.032 -17.819 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.962 -2.412 -18.112 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.210 -2.148 -16.461 1.00 0.00 C ATOM 305 CE2 PHE A 22 -1.112 -2.537 -16.756 1.00 0.00 C ATOM 306 CZ PHE A 22 -0.025 -2.395 -15.926 1.00 0.00 C ATOM 0 H PHE A 22 3.073 -1.622 -20.745 1.00 0.00 H new ATOM 0 HA PHE A 22 1.361 -3.993 -20.230 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.720 -1.030 -20.392 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.513 -2.254 -20.624 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.340 -1.836 -18.234 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.823 -2.509 -18.756 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.067 -2.044 -15.812 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.085 -2.747 -16.338 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.145 -2.478 -14.856 1.00 0.00 H new ATOM 316 N GLY A 23 2.357 -2.800 -22.965 1.00 0.00 N ATOM 317 CA GLY A 23 2.271 -2.994 -24.401 1.00 0.00 C ATOM 318 C GLY A 23 3.090 -2.060 -25.278 1.00 0.00 C ATOM 319 O GLY A 23 4.167 -2.434 -25.736 1.00 0.00 O ATOM 0 H GLY A 23 3.216 -2.366 -22.628 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.574 -4.017 -24.622 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.225 -2.901 -24.693 1.00 0.00 H new ATOM 323 N PRO A 24 2.567 -0.867 -25.613 1.00 0.00 N ATOM 324 CA PRO A 24 3.214 0.062 -26.520 1.00 0.00 C ATOM 325 C PRO A 24 3.766 1.301 -25.845 1.00 0.00 C ATOM 326 O PRO A 24 3.014 2.205 -25.474 1.00 0.00 O ATOM 327 CB PRO A 24 2.022 0.429 -27.385 1.00 0.00 C ATOM 328 CG PRO A 24 0.899 0.545 -26.405 1.00 0.00 C ATOM 329 CD PRO A 24 1.257 -0.336 -25.220 1.00 0.00 C ATOM 0 HA PRO A 24 4.085 -0.359 -27.023 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.187 1.365 -27.919 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.821 -0.335 -28.136 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.766 1.580 -26.091 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.041 0.225 -26.855 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.310 0.232 -24.291 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.525 -1.129 -25.067 1.00 0.00 H new ATOM 337 N SER A 25 5.083 1.353 -25.678 1.00 0.00 N ATOM 338 CA SER A 25 5.703 2.504 -25.041 1.00 0.00 C ATOM 339 C SER A 25 5.083 2.758 -23.681 1.00 0.00 C ATOM 340 O SER A 25 5.259 3.829 -23.115 1.00 0.00 O ATOM 341 CB SER A 25 5.487 3.750 -25.897 1.00 0.00 C ATOM 342 OG SER A 25 6.533 4.683 -25.705 1.00 0.00 O ATOM 0 H SER A 25 5.732 0.622 -25.971 1.00 0.00 H new ATOM 0 HA SER A 25 6.767 2.295 -24.930 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.434 3.469 -26.949 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.533 4.210 -25.642 1.00 0.00 H new ATOM 0 HG SER A 25 6.472 5.387 -26.384 1.00 0.00 H new ATOM 348 N ILE A 26 4.309 1.800 -23.182 1.00 0.00 N ATOM 349 CA ILE A 26 3.631 1.995 -21.926 1.00 0.00 C ATOM 350 C ILE A 26 4.296 1.285 -20.762 1.00 0.00 C ATOM 351 O ILE A 26 4.905 0.218 -20.892 1.00 0.00 O ATOM 352 CB ILE A 26 2.146 1.613 -22.039 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.270 2.639 -21.358 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.863 0.266 -21.440 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.156 2.605 -21.868 1.00 0.00 C ATOM 0 H ILE A 26 4.143 0.897 -23.627 1.00 0.00 H new ATOM 0 HA ILE A 26 3.702 3.060 -21.703 1.00 0.00 H new ATOM 0 HB ILE A 26 1.918 1.578 -23.104 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.274 2.461 -20.283 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.687 3.633 -21.517 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.802 0.038 -21.542 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.449 -0.493 -21.958 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.132 0.274 -20.384 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.746 3.360 -21.349 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.165 2.811 -22.938 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.585 1.620 -21.684 1.00 0.00 H new ATOM 367 N CYS A 27 4.137 1.944 -19.636 1.00 0.00 N ATOM 368 CA CYS A 27 4.654 1.549 -18.359 1.00 0.00 C ATOM 369 C CYS A 27 3.685 2.050 -17.297 1.00 0.00 C ATOM 370 O CYS A 27 3.190 3.171 -17.397 1.00 0.00 O ATOM 371 CB CYS A 27 5.995 2.229 -18.176 1.00 0.00 C ATOM 372 SG CYS A 27 7.412 1.377 -18.954 1.00 0.00 S ATOM 0 H CYS A 27 3.613 2.818 -19.592 1.00 0.00 H new ATOM 0 HA CYS A 27 4.769 0.468 -18.284 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.931 3.238 -18.582 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.192 2.327 -17.108 1.00 0.00 H new ATOM 377 N CYS A 28 3.372 1.238 -16.311 1.00 0.00 N ATOM 378 CA CYS A 28 2.435 1.640 -15.307 1.00 0.00 C ATOM 379 C CYS A 28 2.923 1.261 -13.926 1.00 0.00 C ATOM 380 O CYS A 28 2.863 0.100 -13.536 1.00 0.00 O ATOM 381 CB CYS A 28 1.109 1.004 -15.628 1.00 0.00 C ATOM 382 SG CYS A 28 0.021 2.041 -16.663 1.00 0.00 S ATOM 0 H CYS A 28 3.755 0.301 -16.190 1.00 0.00 H new ATOM 0 HA CYS A 28 2.325 2.724 -15.305 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.286 0.058 -16.139 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.594 0.772 -14.696 1.00 0.00 H new ATOM 387 N GLY A 29 3.429 2.237 -13.193 1.00 0.00 N ATOM 388 CA GLY A 29 3.928 1.966 -11.880 1.00 0.00 C ATOM 389 C GLY A 29 2.903 2.227 -10.800 1.00 0.00 C ATOM 390 O GLY A 29 1.952 2.971 -11.021 1.00 0.00 O ATOM 0 H GLY A 29 3.500 3.210 -13.491 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.250 0.926 -11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.808 2.582 -11.696 1.00 0.00 H new ATOM 394 N ASP A 30 3.086 1.626 -9.629 1.00 0.00 N ATOM 395 CA ASP A 30 2.153 1.828 -8.530 1.00 0.00 C ATOM 396 C ASP A 30 2.293 3.265 -8.048 1.00 0.00 C ATOM 397 O ASP A 30 1.543 4.147 -8.465 1.00 0.00 O ATOM 398 CB ASP A 30 2.407 0.827 -7.394 1.00 0.00 C ATOM 399 CG ASP A 30 1.127 0.267 -6.817 1.00 0.00 C ATOM 400 OD1 ASP A 30 0.499 0.960 -5.991 1.00 0.00 O ATOM 401 OD2 ASP A 30 0.755 -0.867 -7.183 1.00 0.00 O ATOM 0 H ASP A 30 3.864 1.001 -9.419 1.00 0.00 H new ATOM 0 HA ASP A 30 1.133 1.654 -8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.022 0.008 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.974 1.317 -6.603 1.00 0.00 H new ATOM 406 N GLU A 31 3.304 3.505 -7.229 1.00 0.00 N ATOM 407 CA GLU A 31 3.619 4.841 -6.755 1.00 0.00 C ATOM 408 C GLU A 31 4.168 5.663 -7.914 1.00 0.00 C ATOM 409 O GLU A 31 4.592 6.806 -7.759 1.00 0.00 O ATOM 410 CB GLU A 31 4.717 4.731 -5.704 1.00 0.00 C ATOM 411 CG GLU A 31 5.972 4.046 -6.247 1.00 0.00 C ATOM 412 CD GLU A 31 7.246 4.772 -5.865 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.424 5.071 -4.666 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.070 5.041 -6.766 1.00 0.00 O ATOM 0 H GLU A 31 3.928 2.780 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 31 2.725 5.309 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.976 5.727 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.342 4.172 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.015 3.024 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.906 3.984 -7.333 1.00 0.00 H new ATOM 421 N LEU A 32 4.243 4.998 -9.050 1.00 0.00 N ATOM 422 CA LEU A 32 4.824 5.517 -10.254 1.00 0.00 C ATOM 423 C LEU A 32 3.801 6.010 -11.281 1.00 0.00 C ATOM 424 O LEU A 32 4.171 6.573 -12.309 1.00 0.00 O ATOM 425 CB LEU A 32 5.583 4.346 -10.813 1.00 0.00 C ATOM 426 CG LEU A 32 6.933 4.559 -11.426 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.021 3.635 -12.616 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.184 6.003 -11.823 1.00 0.00 C ATOM 0 H LEU A 32 3.886 4.048 -9.155 1.00 0.00 H new ATOM 0 HA LEU A 32 5.433 6.394 -10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.702 3.621 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.952 3.881 -11.570 1.00 0.00 H new ATOM 0 HG LEU A 32 7.708 4.334 -10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.991 3.754 -13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.905 2.603 -12.285 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.231 3.879 -13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.178 6.092 -12.261 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.437 6.315 -12.553 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.117 6.640 -10.941 1.00 0.00 H new ATOM 440 N GLY A 33 2.534 5.790 -11.015 1.00 0.00 N ATOM 441 CA GLY A 33 1.511 6.226 -11.934 1.00 0.00 C ATOM 442 C GLY A 33 1.389 5.324 -13.131 1.00 0.00 C ATOM 443 O GLY A 33 1.738 4.149 -13.075 1.00 0.00 O ATOM 0 H GLY A 33 2.191 5.317 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.554 6.266 -11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.735 7.239 -12.268 1.00 0.00 H new ATOM 447 N CYS A 34 0.895 5.872 -14.220 1.00 0.00 N ATOM 448 CA CYS A 34 0.719 5.113 -15.431 1.00 0.00 C ATOM 449 C CYS A 34 1.210 5.925 -16.621 1.00 0.00 C ATOM 450 O CYS A 34 0.530 6.845 -17.064 1.00 0.00 O ATOM 451 CB CYS A 34 -0.750 4.778 -15.586 1.00 0.00 C ATOM 452 SG CYS A 34 -1.146 3.021 -15.329 1.00 0.00 S ATOM 0 H CYS A 34 0.607 6.848 -14.288 1.00 0.00 H new ATOM 0 HA CYS A 34 1.296 4.190 -15.383 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.324 5.375 -14.878 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.074 5.069 -16.585 1.00 0.00 H new ATOM 457 N PHE A 35 2.390 5.585 -17.131 1.00 0.00 N ATOM 458 CA PHE A 35 2.958 6.313 -18.266 1.00 0.00 C ATOM 459 C PHE A 35 2.655 5.625 -19.582 1.00 0.00 C ATOM 460 O PHE A 35 2.521 4.403 -19.647 1.00 0.00 O ATOM 461 CB PHE A 35 4.477 6.438 -18.154 1.00 0.00 C ATOM 462 CG PHE A 35 4.980 6.741 -16.782 1.00 0.00 C ATOM 463 CD1 PHE A 35 5.076 5.741 -15.838 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.363 8.027 -16.437 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.552 6.015 -14.579 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.842 8.303 -15.178 1.00 0.00 C ATOM 467 CZ PHE A 35 5.927 7.300 -14.248 1.00 0.00 C ATOM 0 H PHE A 35 2.967 4.820 -16.783 1.00 0.00 H new ATOM 0 HA PHE A 35 2.497 7.301 -18.244 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.930 5.507 -18.495 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.814 7.223 -18.831 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.775 4.735 -16.090 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.284 8.821 -17.165 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.633 5.224 -13.848 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.150 9.306 -14.923 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.289 7.517 -13.254 1.00 0.00 H new ATOM 477 N VAL A 36 2.608 6.428 -20.636 1.00 0.00 N ATOM 478 CA VAL A 36 2.388 5.924 -21.977 1.00 0.00 C ATOM 479 C VAL A 36 3.219 6.724 -22.953 1.00 0.00 C ATOM 480 O VAL A 36 2.912 7.875 -23.255 1.00 0.00 O ATOM 481 CB VAL A 36 0.914 5.965 -22.411 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.706 5.007 -23.581 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.014 5.641 -21.238 1.00 0.00 C ATOM 0 H VAL A 36 2.721 7.440 -20.583 1.00 0.00 H new ATOM 0 HA VAL A 36 2.686 4.876 -21.973 1.00 0.00 H new ATOM 0 HB VAL A 36 0.662 6.973 -22.740 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.338 5.033 -23.892 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.340 5.308 -24.415 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.968 3.995 -23.273 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.051 5.677 -21.573 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.211 4.643 -20.861 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.136 6.372 -20.443 1.00 0.00 H new ATOM 493 N GLY A 37 4.290 6.114 -23.414 1.00 0.00 N ATOM 494 CA GLY A 37 5.186 6.790 -24.333 1.00 0.00 C ATOM 495 C GLY A 37 5.910 7.952 -23.670 1.00 0.00 C ATOM 496 O GLY A 37 5.842 9.086 -24.132 1.00 0.00 O ATOM 0 H GLY A 37 4.561 5.161 -23.172 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.917 6.078 -24.716 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.619 7.157 -25.189 1.00 0.00 H new ATOM 500 N THR A 38 6.597 7.651 -22.571 1.00 0.00 N ATOM 501 CA THR A 38 7.337 8.647 -21.798 1.00 0.00 C ATOM 502 C THR A 38 8.660 8.056 -21.279 1.00 0.00 C ATOM 503 O THR A 38 8.894 6.852 -21.397 1.00 0.00 O ATOM 504 CB THR A 38 6.457 9.108 -20.625 1.00 0.00 C ATOM 505 OG1 THR A 38 5.253 9.679 -21.102 1.00 0.00 O ATOM 506 CG2 THR A 38 7.102 10.127 -19.708 1.00 0.00 C ATOM 0 H THR A 38 6.657 6.707 -22.190 1.00 0.00 H new ATOM 0 HA THR A 38 7.581 9.498 -22.434 1.00 0.00 H new ATOM 0 HB THR A 38 6.284 8.200 -20.046 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.704 9.966 -20.343 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.406 10.392 -18.912 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.007 9.704 -19.273 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.357 11.020 -20.279 1.00 0.00 H new ATOM 514 N ALA A 39 9.510 8.895 -20.671 1.00 0.00 N ATOM 515 CA ALA A 39 10.777 8.429 -20.106 1.00 0.00 C ATOM 516 C ALA A 39 10.531 7.227 -19.194 1.00 0.00 C ATOM 517 O ALA A 39 11.190 6.202 -19.292 1.00 0.00 O ATOM 518 CB ALA A 39 11.459 9.560 -19.342 1.00 0.00 C ATOM 0 H ALA A 39 9.341 9.895 -20.560 1.00 0.00 H new ATOM 0 HA ALA A 39 11.437 8.118 -20.916 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.401 9.202 -18.926 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.654 10.391 -20.020 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.810 9.896 -18.534 1.00 0.00 H new ATOM 524 N GLU A 40 9.543 7.385 -18.329 1.00 0.00 N ATOM 525 CA GLU A 40 9.124 6.342 -17.404 1.00 0.00 C ATOM 526 C GLU A 40 8.417 5.209 -18.163 1.00 0.00 C ATOM 527 O GLU A 40 7.730 4.381 -17.562 1.00 0.00 O ATOM 528 CB GLU A 40 8.215 6.910 -16.319 1.00 0.00 C ATOM 529 CG GLU A 40 8.881 6.973 -14.952 1.00 0.00 C ATOM 530 CD GLU A 40 9.421 8.349 -14.626 1.00 0.00 C ATOM 531 OE1 GLU A 40 10.093 8.944 -15.493 1.00 0.00 O ATOM 532 OE2 GLU A 40 9.169 8.833 -13.502 1.00 0.00 O ATOM 0 H GLU A 40 9.004 8.247 -18.247 1.00 0.00 H new ATOM 0 HA GLU A 40 10.012 5.936 -16.921 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.897 7.912 -16.608 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.316 6.298 -16.250 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.161 6.680 -14.188 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.696 6.250 -14.916 1.00 0.00 H new ATOM 539 N ALA A 41 8.553 5.211 -19.494 1.00 0.00 N ATOM 540 CA ALA A 41 7.893 4.226 -20.331 1.00 0.00 C ATOM 541 C ALA A 41 8.804 3.557 -21.362 1.00 0.00 C ATOM 542 O ALA A 41 8.417 2.563 -21.988 1.00 0.00 O ATOM 543 CB ALA A 41 6.782 4.905 -21.058 1.00 0.00 C ATOM 0 H ALA A 41 9.117 5.889 -20.007 1.00 0.00 H new ATOM 0 HA ALA A 41 7.546 3.434 -19.667 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.270 4.184 -21.695 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.076 5.319 -20.338 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.187 5.709 -21.673 1.00 0.00 H new ATOM 549 N LEU A 42 10.026 4.042 -21.495 1.00 0.00 N ATOM 550 CA LEU A 42 10.986 3.440 -22.405 1.00 0.00 C ATOM 551 C LEU A 42 11.361 2.037 -21.939 1.00 0.00 C ATOM 552 O LEU A 42 11.999 1.275 -22.664 1.00 0.00 O ATOM 553 CB LEU A 42 12.245 4.314 -22.507 1.00 0.00 C ATOM 554 CG LEU A 42 12.911 4.730 -21.179 1.00 0.00 C ATOM 555 CD1 LEU A 42 12.318 4.012 -19.971 1.00 0.00 C ATOM 556 CD2 LEU A 42 14.412 4.483 -21.242 1.00 0.00 C ATOM 0 H LEU A 42 10.378 4.852 -20.984 1.00 0.00 H new ATOM 0 HA LEU A 42 10.525 3.368 -23.390 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.983 3.779 -23.104 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.987 5.219 -23.056 1.00 0.00 H new ATOM 0 HG LEU A 42 12.716 5.795 -21.049 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.825 4.344 -19.065 1.00 0.00 H new ATOM 0 HD12 LEU A 42 11.255 4.242 -19.897 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.449 2.936 -20.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.870 4.781 -20.299 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.599 3.424 -21.418 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.843 5.067 -22.055 1.00 0.00 H new ATOM 568 N ARG A 43 10.983 1.727 -20.703 1.00 0.00 N ATOM 569 CA ARG A 43 11.278 0.454 -20.079 1.00 0.00 C ATOM 570 C ARG A 43 10.866 -0.740 -20.921 1.00 0.00 C ATOM 571 O ARG A 43 11.253 -1.857 -20.624 1.00 0.00 O ATOM 572 CB ARG A 43 10.573 0.378 -18.739 1.00 0.00 C ATOM 573 CG ARG A 43 11.497 0.091 -17.570 1.00 0.00 C ATOM 574 CD ARG A 43 12.711 0.997 -17.568 1.00 0.00 C ATOM 575 NE ARG A 43 13.430 0.934 -16.296 1.00 0.00 N ATOM 576 CZ ARG A 43 14.755 1.020 -16.188 1.00 0.00 C ATOM 577 NH1 ARG A 43 15.510 1.172 -17.269 1.00 0.00 N ATOM 578 NH2 ARG A 43 15.329 0.953 -14.997 1.00 0.00 N ATOM 0 H ARG A 43 10.457 2.364 -20.104 1.00 0.00 H new ATOM 0 HA ARG A 43 12.361 0.405 -19.962 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.057 1.321 -18.558 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.810 -0.399 -18.785 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.949 0.217 -16.636 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.821 -0.949 -17.611 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.380 0.710 -18.379 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.399 2.024 -17.760 1.00 0.00 H new ATOM 0 HE ARG A 43 12.885 0.817 -15.442 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.076 1.224 -18.191 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.524 1.237 -17.178 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.757 0.835 -14.161 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.344 1.019 -14.915 1.00 0.00 H new ATOM 592 N CYS A 44 10.074 -0.528 -21.956 1.00 0.00 N ATOM 593 CA CYS A 44 9.649 -1.643 -22.777 1.00 0.00 C ATOM 594 C CYS A 44 10.777 -2.142 -23.664 1.00 0.00 C ATOM 595 O CYS A 44 10.753 -3.278 -24.134 1.00 0.00 O ATOM 596 CB CYS A 44 8.413 -1.292 -23.583 1.00 0.00 C ATOM 597 SG CYS A 44 6.913 -2.123 -22.976 1.00 0.00 S ATOM 0 H CYS A 44 9.719 0.384 -22.243 1.00 0.00 H new ATOM 0 HA CYS A 44 9.380 -2.462 -22.110 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.261 -0.213 -23.555 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.576 -1.564 -24.626 1.00 0.00 H new ATOM 602 N GLN A 45 11.780 -1.303 -23.858 1.00 0.00 N ATOM 603 CA GLN A 45 12.933 -1.667 -24.643 1.00 0.00 C ATOM 604 C GLN A 45 13.777 -2.648 -23.834 1.00 0.00 C ATOM 605 O GLN A 45 14.475 -3.501 -24.369 1.00 0.00 O ATOM 606 CB GLN A 45 13.739 -0.421 -24.971 1.00 0.00 C ATOM 607 CG GLN A 45 13.441 0.159 -26.342 1.00 0.00 C ATOM 608 CD GLN A 45 13.046 1.622 -26.288 1.00 0.00 C ATOM 609 OE1 GLN A 45 13.450 2.416 -27.138 1.00 0.00 O ATOM 610 NE2 GLN A 45 12.249 1.989 -25.288 1.00 0.00 N ATOM 0 H GLN A 45 11.813 -0.358 -23.476 1.00 0.00 H new ATOM 0 HA GLN A 45 12.624 -2.135 -25.578 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.540 0.338 -24.215 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.801 -0.660 -24.911 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.320 0.048 -26.977 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.638 -0.413 -26.806 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.937 1.299 -24.605 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.950 2.961 -25.205 1.00 0.00 H new ATOM 619 N GLU A 46 13.702 -2.464 -22.522 1.00 0.00 N ATOM 620 CA GLU A 46 14.441 -3.275 -21.579 1.00 0.00 C ATOM 621 C GLU A 46 13.928 -4.712 -21.615 1.00 0.00 C ATOM 622 O GLU A 46 14.676 -5.660 -21.356 1.00 0.00 O ATOM 623 CB GLU A 46 14.312 -2.655 -20.187 1.00 0.00 C ATOM 624 CG GLU A 46 13.153 -3.193 -19.370 1.00 0.00 C ATOM 625 CD GLU A 46 13.436 -4.529 -18.723 1.00 0.00 C ATOM 626 OE1 GLU A 46 14.588 -4.750 -18.288 1.00 0.00 O ATOM 627 OE2 GLU A 46 12.509 -5.359 -18.657 1.00 0.00 O ATOM 0 H GLU A 46 13.124 -1.745 -22.087 1.00 0.00 H new ATOM 0 HA GLU A 46 15.498 -3.303 -21.845 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.238 -2.826 -19.639 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.198 -1.576 -20.292 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.900 -2.470 -18.595 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.279 -3.289 -20.014 1.00 0.00 H new ATOM 634 N GLU A 47 12.662 -4.864 -21.983 1.00 0.00 N ATOM 635 CA GLU A 47 12.054 -6.183 -22.097 1.00 0.00 C ATOM 636 C GLU A 47 12.483 -6.858 -23.401 1.00 0.00 C ATOM 637 O GLU A 47 11.774 -7.710 -23.924 1.00 0.00 O ATOM 638 CB GLU A 47 10.531 -6.070 -22.046 1.00 0.00 C ATOM 639 CG GLU A 47 9.985 -6.007 -20.632 1.00 0.00 C ATOM 640 CD GLU A 47 8.572 -6.544 -20.527 1.00 0.00 C ATOM 641 OE1 GLU A 47 7.647 -5.891 -21.057 1.00 0.00 O ATOM 642 OE2 GLU A 47 8.390 -7.619 -19.915 1.00 0.00 O ATOM 0 H GLU A 47 12.037 -4.090 -22.208 1.00 0.00 H new ATOM 0 HA GLU A 47 12.392 -6.792 -21.259 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.221 -5.177 -22.589 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.092 -6.925 -22.561 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.636 -6.577 -19.970 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.003 -4.974 -20.285 1.00 0.00 H new ATOM 649 N ASN A 48 13.650 -6.472 -23.917 1.00 0.00 N ATOM 650 CA ASN A 48 14.173 -7.032 -25.150 1.00 0.00 C ATOM 651 C ASN A 48 15.169 -8.148 -24.864 1.00 0.00 C ATOM 652 O ASN A 48 15.411 -9.004 -25.709 1.00 0.00 O ATOM 653 CB ASN A 48 14.839 -5.937 -25.983 1.00 0.00 C ATOM 654 CG ASN A 48 14.107 -5.685 -27.284 1.00 0.00 C ATOM 655 OD1 ASN A 48 14.671 -5.845 -28.365 1.00 0.00 O ATOM 656 ND2 ASN A 48 12.841 -5.293 -27.186 1.00 0.00 N ATOM 0 H ASN A 48 14.251 -5.767 -23.491 1.00 0.00 H new ATOM 0 HA ASN A 48 13.340 -7.454 -25.712 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.876 -5.014 -25.404 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.869 -6.221 -26.197 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.296 -5.112 -28.029 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.414 -5.173 -26.268 1.00 0.00 H new ATOM 663 N TYR A 49 15.729 -8.149 -23.656 1.00 0.00 N ATOM 664 CA TYR A 49 16.690 -9.185 -23.265 1.00 0.00 C ATOM 665 C TYR A 49 15.980 -10.380 -22.629 1.00 0.00 C ATOM 666 O TYR A 49 16.620 -11.242 -22.026 1.00 0.00 O ATOM 667 CB TYR A 49 17.740 -8.608 -22.300 1.00 0.00 C ATOM 668 CG TYR A 49 17.230 -8.276 -20.908 1.00 0.00 C ATOM 669 CD1 TYR A 49 15.881 -8.038 -20.663 1.00 0.00 C ATOM 670 CD2 TYR A 49 18.111 -8.193 -19.838 1.00 0.00 C ATOM 671 CE1 TYR A 49 15.430 -7.729 -19.398 1.00 0.00 C ATOM 672 CE2 TYR A 49 17.664 -7.882 -18.568 1.00 0.00 C ATOM 673 CZ TYR A 49 16.327 -7.651 -18.354 1.00 0.00 C ATOM 674 OH TYR A 49 15.889 -7.342 -17.087 1.00 0.00 O ATOM 0 H TYR A 49 15.538 -7.453 -22.936 1.00 0.00 H new ATOM 0 HA TYR A 49 17.197 -9.533 -24.165 1.00 0.00 H new ATOM 0 HB2 TYR A 49 18.557 -9.323 -22.208 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.157 -7.703 -22.742 1.00 0.00 H new ATOM 0 HD1 TYR A 49 15.175 -8.096 -21.478 1.00 0.00 H new ATOM 0 HD2 TYR A 49 19.163 -8.375 -20.001 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.379 -7.549 -19.225 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.363 -7.821 -17.747 1.00 0.00 H new ATOM 0 HH TYR A 49 15.392 -6.498 -17.109 1.00 0.00 H new ATOM 684 N LEU A 50 14.651 -10.422 -22.776 1.00 0.00 N ATOM 685 CA LEU A 50 13.832 -11.493 -22.220 1.00 0.00 C ATOM 686 C LEU A 50 12.722 -11.880 -23.204 1.00 0.00 C ATOM 687 O LEU A 50 12.333 -11.076 -24.052 1.00 0.00 O ATOM 688 CB LEU A 50 13.228 -11.061 -20.879 1.00 0.00 C ATOM 689 CG LEU A 50 13.966 -11.568 -19.633 1.00 0.00 C ATOM 690 CD1 LEU A 50 14.060 -13.085 -19.644 1.00 0.00 C ATOM 691 CD2 LEU A 50 15.352 -10.948 -19.539 1.00 0.00 C ATOM 0 H LEU A 50 14.119 -9.715 -23.283 1.00 0.00 H new ATOM 0 HA LEU A 50 14.466 -12.363 -22.051 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.200 -9.972 -20.846 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.196 -11.408 -20.836 1.00 0.00 H new ATOM 0 HG LEU A 50 13.396 -11.266 -18.755 1.00 0.00 H new ATOM 0 HD11 LEU A 50 14.587 -13.423 -18.752 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.057 -13.512 -19.657 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.604 -13.409 -20.531 1.00 0.00 H new ATOM 0 HD21 LEU A 50 15.858 -11.321 -18.648 1.00 0.00 H new ATOM 0 HD22 LEU A 50 15.931 -11.215 -20.423 1.00 0.00 H new ATOM 0 HD23 LEU A 50 15.262 -9.863 -19.478 1.00 0.00 H new ATOM 703 N PRO A 51 12.192 -13.117 -23.108 1.00 0.00 N ATOM 704 CA PRO A 51 11.127 -13.603 -23.990 1.00 0.00 C ATOM 705 C PRO A 51 10.097 -12.531 -24.355 1.00 0.00 C ATOM 706 O PRO A 51 9.581 -11.824 -23.489 1.00 0.00 O ATOM 707 CB PRO A 51 10.495 -14.703 -23.148 1.00 0.00 C ATOM 708 CG PRO A 51 11.661 -15.302 -22.450 1.00 0.00 C ATOM 709 CD PRO A 51 12.571 -14.145 -22.120 1.00 0.00 C ATOM 0 HA PRO A 51 11.508 -13.930 -24.957 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.765 -14.303 -22.444 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.975 -15.435 -23.765 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.350 -15.827 -21.547 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.166 -16.030 -23.084 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.421 -13.795 -21.099 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.621 -14.422 -22.211 1.00 0.00 H new ATOM 717 N SER A 52 9.818 -12.422 -25.650 1.00 0.00 N ATOM 718 CA SER A 52 8.863 -11.446 -26.165 1.00 0.00 C ATOM 719 C SER A 52 7.514 -11.508 -25.438 1.00 0.00 C ATOM 720 O SER A 52 6.966 -10.469 -25.065 1.00 0.00 O ATOM 721 CB SER A 52 8.652 -11.660 -27.667 1.00 0.00 C ATOM 722 OG SER A 52 8.760 -10.438 -28.376 1.00 0.00 O ATOM 0 H SER A 52 10.245 -13.005 -26.370 1.00 0.00 H new ATOM 0 HA SER A 52 9.286 -10.457 -25.986 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.389 -12.369 -28.044 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.670 -12.099 -27.841 1.00 0.00 H new ATOM 0 HG SER A 52 8.623 -10.602 -29.333 1.00 0.00 H new ATOM 728 N PRO A 53 6.940 -12.712 -25.250 1.00 0.00 N ATOM 729 CA PRO A 53 5.633 -12.861 -24.591 1.00 0.00 C ATOM 730 C PRO A 53 5.659 -12.479 -23.115 1.00 0.00 C ATOM 731 O PRO A 53 6.722 -12.253 -22.532 1.00 0.00 O ATOM 732 CB PRO A 53 5.318 -14.351 -24.741 1.00 0.00 C ATOM 733 CG PRO A 53 6.642 -15.003 -24.935 1.00 0.00 C ATOM 734 CD PRO A 53 7.486 -14.012 -25.684 1.00 0.00 C ATOM 0 HA PRO A 53 4.890 -12.201 -25.039 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.812 -14.739 -23.857 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.660 -14.532 -25.591 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.096 -15.257 -23.977 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.541 -15.932 -25.496 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.542 -14.110 -25.432 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.402 -14.145 -26.763 1.00 0.00 H new ATOM 742 N CYS A 54 4.464 -12.407 -22.521 1.00 0.00 N ATOM 743 CA CYS A 54 4.316 -12.062 -21.113 1.00 0.00 C ATOM 744 C CYS A 54 2.841 -11.943 -20.703 1.00 0.00 C ATOM 745 O CYS A 54 2.079 -11.153 -21.272 1.00 0.00 O ATOM 746 CB CYS A 54 5.090 -10.768 -20.784 1.00 0.00 C ATOM 747 SG CYS A 54 4.169 -9.208 -20.998 1.00 0.00 S ATOM 0 H CYS A 54 3.582 -12.585 -23.002 1.00 0.00 H new ATOM 0 HA CYS A 54 4.745 -12.877 -20.530 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.432 -10.826 -19.751 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.980 -10.731 -21.413 1.00 0.00 H new ATOM 752 N GLN A 55 2.455 -12.729 -19.696 1.00 0.00 N ATOM 753 CA GLN A 55 1.088 -12.729 -19.165 1.00 0.00 C ATOM 754 C GLN A 55 0.028 -12.665 -20.280 1.00 0.00 C ATOM 755 O GLN A 55 0.091 -13.432 -21.239 1.00 0.00 O ATOM 756 CB GLN A 55 0.926 -11.565 -18.180 1.00 0.00 C ATOM 757 CG GLN A 55 1.104 -10.194 -18.822 1.00 0.00 C ATOM 758 CD GLN A 55 0.753 -9.055 -17.883 1.00 0.00 C ATOM 759 OE1 GLN A 55 1.608 -8.245 -17.522 1.00 0.00 O ATOM 760 NE2 GLN A 55 -0.511 -8.979 -17.490 1.00 0.00 N ATOM 0 H GLN A 55 3.080 -13.383 -19.225 1.00 0.00 H new ATOM 0 HA GLN A 55 0.925 -13.672 -18.642 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.064 -11.619 -17.726 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.652 -11.677 -17.375 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.137 -10.083 -19.150 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.478 -10.131 -19.712 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.188 -9.671 -17.812 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.807 -8.229 -16.865 1.00 0.00 H new ATOM 769 N SER A 56 -0.942 -11.753 -20.144 1.00 0.00 N ATOM 770 CA SER A 56 -2.001 -11.587 -21.122 1.00 0.00 C ATOM 771 C SER A 56 -2.873 -10.386 -20.746 1.00 0.00 C ATOM 772 O SER A 56 -2.423 -9.490 -20.032 1.00 0.00 O ATOM 773 CB SER A 56 -2.836 -12.865 -21.209 1.00 0.00 C ATOM 774 OG SER A 56 -3.848 -12.879 -20.219 1.00 0.00 O ATOM 0 H SER A 56 -1.007 -11.115 -19.351 1.00 0.00 H new ATOM 0 HA SER A 56 -1.563 -11.399 -22.102 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.289 -12.941 -22.198 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.190 -13.734 -21.086 1.00 0.00 H new ATOM 0 HG SER A 56 -4.550 -13.512 -20.478 1.00 0.00 H new ATOM 780 N GLY A 57 -4.118 -10.369 -21.217 1.00 0.00 N ATOM 781 CA GLY A 57 -5.013 -9.265 -20.905 1.00 0.00 C ATOM 782 C GLY A 57 -5.158 -9.036 -19.411 1.00 0.00 C ATOM 783 O GLY A 57 -5.404 -9.977 -18.659 1.00 0.00 O ATOM 0 H GLY A 57 -4.522 -11.096 -21.807 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.639 -8.355 -21.374 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.994 -9.465 -21.335 1.00 0.00 H new ATOM 787 N GLN A 58 -4.993 -7.789 -18.974 1.00 0.00 N ATOM 788 CA GLN A 58 -5.095 -7.462 -17.561 1.00 0.00 C ATOM 789 C GLN A 58 -6.517 -7.127 -17.145 1.00 0.00 C ATOM 790 O GLN A 58 -7.168 -6.266 -17.733 1.00 0.00 O ATOM 791 CB GLN A 58 -4.190 -6.308 -17.208 1.00 0.00 C ATOM 792 CG GLN A 58 -2.992 -6.746 -16.402 1.00 0.00 C ATOM 793 CD GLN A 58 -3.381 -7.422 -15.100 1.00 0.00 C ATOM 794 OE1 GLN A 58 -4.059 -6.830 -14.259 1.00 0.00 O ATOM 795 NE2 GLN A 58 -2.957 -8.669 -14.928 1.00 0.00 N ATOM 0 H GLN A 58 -4.789 -6.994 -19.579 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.783 -8.354 -17.017 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.852 -5.821 -18.123 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.754 -5.566 -16.643 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.389 -7.432 -16.997 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.368 -5.879 -16.185 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.397 -9.122 -15.651 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.191 -9.174 -14.073 1.00 0.00 H new ATOM 804 N LYS A 59 -7.018 -7.887 -16.187 1.00 0.00 N ATOM 805 CA LYS A 59 -8.375 -7.778 -15.678 1.00 0.00 C ATOM 806 C LYS A 59 -9.075 -6.446 -15.956 1.00 0.00 C ATOM 807 O LYS A 59 -9.024 -5.518 -15.145 1.00 0.00 O ATOM 808 CB LYS A 59 -8.356 -8.059 -14.176 1.00 0.00 C ATOM 809 CG LYS A 59 -9.695 -7.886 -13.472 1.00 0.00 C ATOM 810 CD LYS A 59 -9.604 -6.895 -12.315 1.00 0.00 C ATOM 811 CE LYS A 59 -9.848 -7.571 -10.973 1.00 0.00 C ATOM 812 NZ LYS A 59 -11.055 -7.029 -10.291 1.00 0.00 N ATOM 0 H LYS A 59 -6.476 -8.619 -15.728 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.965 -8.516 -16.222 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.008 -9.080 -14.017 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.628 -7.397 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.440 -7.541 -14.189 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.036 -8.851 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.619 -6.427 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.335 -6.099 -12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.967 -8.644 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.976 -7.433 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.187 -7.515 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.932 -6.010 -10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.891 -7.183 -10.890 1.00 0.00 H new ATOM 826 N PRO A 60 -9.763 -6.354 -17.117 1.00 0.00 N ATOM 827 CA PRO A 60 -10.511 -5.163 -17.503 1.00 0.00 C ATOM 828 C PRO A 60 -11.369 -4.650 -16.361 1.00 0.00 C ATOM 829 O PRO A 60 -11.647 -5.404 -15.428 1.00 0.00 O ATOM 830 CB PRO A 60 -11.415 -5.647 -18.641 1.00 0.00 C ATOM 831 CG PRO A 60 -10.731 -6.840 -19.215 1.00 0.00 C ATOM 832 CD PRO A 60 -9.859 -7.418 -18.134 1.00 0.00 C ATOM 0 HA PRO A 60 -9.849 -4.344 -17.785 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.408 -5.904 -18.271 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.547 -4.870 -19.394 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.461 -7.575 -19.554 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.133 -6.560 -20.082 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.296 -8.325 -17.717 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.876 -7.686 -18.520 1.00 0.00 H new ATOM 840 N CYS A 61 -11.767 -3.377 -16.386 1.00 0.00 N ATOM 841 CA CYS A 61 -12.560 -2.841 -15.314 1.00 0.00 C ATOM 842 C CYS A 61 -13.476 -1.717 -15.777 1.00 0.00 C ATOM 843 O CYS A 61 -13.197 -1.008 -16.753 1.00 0.00 O ATOM 844 CB CYS A 61 -11.673 -2.309 -14.186 1.00 0.00 C ATOM 845 SG CYS A 61 -9.948 -1.878 -14.674 1.00 0.00 S ATOM 0 H CYS A 61 -11.549 -2.717 -17.133 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.173 -3.666 -14.952 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.145 -1.422 -13.763 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.633 -3.057 -13.395 1.00 0.00 H new ATOM 850 N GLY A 62 -14.599 -1.630 -15.077 1.00 0.00 N ATOM 851 CA GLY A 62 -15.645 -0.663 -15.363 1.00 0.00 C ATOM 852 C GLY A 62 -15.174 0.711 -15.809 1.00 0.00 C ATOM 853 O GLY A 62 -15.970 1.483 -16.337 1.00 0.00 O ATOM 0 H GLY A 62 -14.810 -2.237 -14.285 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.291 -1.074 -16.139 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.257 -0.544 -14.469 1.00 0.00 H new ATOM 857 N SER A 63 -13.903 1.021 -15.650 1.00 0.00 N ATOM 858 CA SER A 63 -13.405 2.300 -16.098 1.00 0.00 C ATOM 859 C SER A 63 -13.084 2.212 -17.587 1.00 0.00 C ATOM 860 O SER A 63 -12.088 2.756 -18.064 1.00 0.00 O ATOM 861 CB SER A 63 -12.170 2.709 -15.295 1.00 0.00 C ATOM 862 OG SER A 63 -11.896 4.095 -15.436 1.00 0.00 O ATOM 0 H SER A 63 -13.207 0.412 -15.220 1.00 0.00 H new ATOM 0 HA SER A 63 -14.166 3.064 -15.939 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.324 2.472 -14.242 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.309 2.130 -15.629 1.00 0.00 H new ATOM 0 HG SER A 63 -11.206 4.359 -14.792 1.00 0.00 H new ATOM 868 N GLY A 64 -13.947 1.479 -18.303 1.00 0.00 N ATOM 869 CA GLY A 64 -13.793 1.265 -19.725 1.00 0.00 C ATOM 870 C GLY A 64 -12.373 0.983 -20.118 1.00 0.00 C ATOM 871 O GLY A 64 -11.718 1.809 -20.752 1.00 0.00 O ATOM 0 H GLY A 64 -14.767 1.023 -17.902 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.423 0.431 -20.033 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.146 2.146 -20.261 1.00 0.00 H new ATOM 875 N GLY A 65 -11.888 -0.165 -19.706 1.00 0.00 N ATOM 876 CA GLY A 65 -10.530 -0.549 -19.970 1.00 0.00 C ATOM 877 C GLY A 65 -10.048 -1.597 -19.003 1.00 0.00 C ATOM 878 O GLY A 65 -10.843 -2.374 -18.485 1.00 0.00 O ATOM 0 H GLY A 65 -12.426 -0.854 -19.180 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.451 -0.930 -20.988 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.885 0.328 -19.907 1.00 0.00 H new ATOM 882 N ARG A 66 -8.763 -1.630 -18.772 1.00 0.00 N ATOM 883 CA ARG A 66 -8.198 -2.602 -17.868 1.00 0.00 C ATOM 884 C ARG A 66 -7.397 -1.937 -16.807 1.00 0.00 C ATOM 885 O ARG A 66 -6.963 -0.813 -16.991 1.00 0.00 O ATOM 886 CB ARG A 66 -7.343 -3.644 -18.590 1.00 0.00 C ATOM 887 CG ARG A 66 -7.736 -3.911 -20.038 1.00 0.00 C ATOM 888 CD ARG A 66 -9.202 -4.250 -20.156 1.00 0.00 C ATOM 889 NE ARG A 66 -9.542 -4.858 -21.437 1.00 0.00 N ATOM 890 CZ ARG A 66 -9.571 -4.200 -22.583 1.00 0.00 C ATOM 891 NH1 ARG A 66 -9.286 -2.906 -22.616 1.00 0.00 N ATOM 892 NH2 ARG A 66 -9.892 -4.835 -23.696 1.00 0.00 N ATOM 0 H ARG A 66 -8.086 -0.996 -19.196 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.038 -3.125 -17.410 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.303 -3.318 -18.566 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.396 -4.582 -18.037 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.514 -3.033 -20.645 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.138 -4.732 -20.434 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.478 -4.931 -19.351 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.792 -3.343 -20.022 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.771 -5.852 -21.449 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.043 -2.415 -21.755 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.309 -2.401 -23.502 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.116 -5.830 -23.669 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.915 -4.331 -24.582 1.00 0.00 H new ATOM 906 N CYS A 67 -7.144 -2.625 -15.704 1.00 0.00 N ATOM 907 CA CYS A 67 -6.334 -2.026 -14.678 1.00 0.00 C ATOM 908 C CYS A 67 -4.946 -1.811 -15.222 1.00 0.00 C ATOM 909 O CYS A 67 -4.613 -2.324 -16.292 1.00 0.00 O ATOM 910 CB CYS A 67 -6.302 -2.887 -13.421 1.00 0.00 C ATOM 911 SG CYS A 67 -5.640 -2.034 -11.963 1.00 0.00 S ATOM 0 H CYS A 67 -7.479 -3.568 -15.508 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.767 -1.067 -14.392 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.313 -3.230 -13.201 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.700 -3.774 -13.615 1.00 0.00 H new ATOM 916 N ALA A 68 -4.134 -1.088 -14.493 1.00 0.00 N ATOM 917 CA ALA A 68 -2.776 -0.852 -14.904 1.00 0.00 C ATOM 918 C ALA A 68 -1.913 -0.596 -13.674 1.00 0.00 C ATOM 919 O ALA A 68 -1.304 -1.516 -13.127 1.00 0.00 O ATOM 920 CB ALA A 68 -2.738 0.301 -15.885 1.00 0.00 C ATOM 0 H ALA A 68 -4.393 -0.651 -13.608 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.372 -1.727 -15.413 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.709 0.480 -16.196 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.344 0.057 -16.757 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.134 1.198 -15.408 1.00 0.00 H new ATOM 926 N ALA A 69 -1.857 0.661 -13.265 1.00 0.00 N ATOM 927 CA ALA A 69 -1.087 1.157 -12.118 1.00 0.00 C ATOM 928 C ALA A 69 -1.578 0.676 -10.743 1.00 0.00 C ATOM 929 O ALA A 69 -2.293 -0.313 -10.627 1.00 0.00 O ATOM 930 CB ALA A 69 -1.031 2.686 -12.164 1.00 0.00 C ATOM 0 H ALA A 69 -2.368 1.404 -13.741 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.090 0.727 -12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.459 3.055 -11.312 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.551 3.005 -13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.043 3.089 -12.123 1.00 0.00 H new ATOM 936 N ALA A 70 -1.159 1.438 -9.712 1.00 0.00 N ATOM 937 CA ALA A 70 -1.552 1.212 -8.329 1.00 0.00 C ATOM 938 C ALA A 70 -3.020 0.865 -8.249 1.00 0.00 C ATOM 939 O ALA A 70 -3.429 -0.086 -7.589 1.00 0.00 O ATOM 940 CB ALA A 70 -1.281 2.453 -7.492 1.00 0.00 C ATOM 0 H ALA A 70 -0.532 2.233 -9.830 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.965 0.380 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.580 2.268 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.217 2.689 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.851 3.292 -7.890 1.00 0.00 H new ATOM 946 N GLY A 71 -3.787 1.633 -8.995 1.00 0.00 N ATOM 947 CA GLY A 71 -5.198 1.443 -9.112 1.00 0.00 C ATOM 948 C GLY A 71 -5.749 2.245 -10.266 1.00 0.00 C ATOM 949 O GLY A 71 -6.665 3.061 -10.122 1.00 0.00 O ATOM 0 H GLY A 71 -3.431 2.417 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.417 0.385 -9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.689 1.744 -8.186 1.00 0.00 H new ATOM 953 N ILE A 72 -5.149 1.991 -11.417 1.00 0.00 N ATOM 954 CA ILE A 72 -5.486 2.634 -12.670 1.00 0.00 C ATOM 955 C ILE A 72 -6.177 1.634 -13.574 1.00 0.00 C ATOM 956 O ILE A 72 -5.891 0.448 -13.514 1.00 0.00 O ATOM 957 CB ILE A 72 -4.208 3.200 -13.375 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.833 4.596 -12.863 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.333 3.237 -14.892 1.00 0.00 C ATOM 960 CD1 ILE A 72 -4.331 5.761 -13.708 1.00 0.00 C ATOM 0 H ILE A 72 -4.393 1.312 -11.505 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.154 3.471 -12.465 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.412 2.502 -13.117 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.224 4.710 -11.852 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.747 4.659 -12.794 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.416 3.639 -15.323 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.499 2.227 -15.268 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.174 3.871 -15.172 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.011 6.700 -13.257 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.919 5.683 -14.714 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.420 5.735 -13.758 1.00 0.00 H new ATOM 972 N CYS A 73 -7.046 2.127 -14.420 1.00 0.00 N ATOM 973 CA CYS A 73 -7.720 1.293 -15.376 1.00 0.00 C ATOM 974 C CYS A 73 -7.490 1.960 -16.701 1.00 0.00 C ATOM 975 O CYS A 73 -8.004 3.048 -16.991 1.00 0.00 O ATOM 976 CB CYS A 73 -9.193 1.063 -15.006 1.00 0.00 C ATOM 977 SG CYS A 73 -10.081 -0.258 -15.920 1.00 0.00 S ATOM 0 H CYS A 73 -7.304 3.113 -14.464 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.329 0.276 -15.404 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.244 0.832 -13.942 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.731 1.999 -15.155 1.00 0.00 H new ATOM 982 N CYS A 74 -6.570 1.355 -17.414 1.00 0.00 N ATOM 983 CA CYS A 74 -6.059 1.884 -18.637 1.00 0.00 C ATOM 984 C CYS A 74 -5.757 0.779 -19.612 1.00 0.00 C ATOM 985 O CYS A 74 -5.748 -0.389 -19.246 1.00 0.00 O ATOM 986 CB CYS A 74 -4.785 2.605 -18.246 1.00 0.00 C ATOM 987 SG CYS A 74 -3.493 2.786 -19.522 1.00 0.00 S ATOM 0 H CYS A 74 -6.153 0.463 -17.147 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.775 2.544 -19.126 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.056 3.602 -17.898 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.348 2.079 -17.397 1.00 0.00 H new ATOM 992 N SER A 75 -5.473 1.153 -20.837 1.00 0.00 N ATOM 993 CA SER A 75 -5.120 0.184 -21.834 1.00 0.00 C ATOM 994 C SER A 75 -3.696 0.505 -22.284 1.00 0.00 C ATOM 995 O SER A 75 -2.867 0.858 -21.442 1.00 0.00 O ATOM 996 CB SER A 75 -6.150 0.296 -22.961 1.00 0.00 C ATOM 997 OG SER A 75 -7.461 0.022 -22.486 1.00 0.00 O ATOM 0 H SER A 75 -5.481 2.120 -21.162 1.00 0.00 H new ATOM 0 HA SER A 75 -5.134 -0.845 -21.474 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.117 1.298 -23.389 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.896 -0.401 -23.760 1.00 0.00 H new ATOM 0 HG SER A 75 -8.100 0.102 -23.225 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.357 0.486 -23.584 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.034 0.878 -24.008 1.00 0.00 C ATOM 1005 C PRO A 76 -2.040 2.361 -24.391 1.00 0.00 C ATOM 1006 O PRO A 76 -1.007 3.022 -24.447 1.00 0.00 O ATOM 1007 CB PRO A 76 -1.806 0.011 -25.243 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.157 -0.438 -25.706 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.171 0.136 -24.761 1.00 0.00 C ATOM 0 HA PRO A 76 -1.266 0.750 -23.245 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.297 0.576 -26.024 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.174 -0.845 -25.004 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.346 -0.098 -26.724 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.216 -1.526 -25.717 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.669 1.009 -25.183 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.949 -0.586 -24.515 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.231 2.803 -24.770 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.523 4.154 -25.322 1.00 0.00 C ATOM 1019 C ASP A 77 -3.371 5.234 -24.305 1.00 0.00 C ATOM 1020 O ASP A 77 -2.519 6.103 -24.443 1.00 0.00 O ATOM 1021 CB ASP A 77 -4.943 4.186 -25.893 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.045 5.033 -27.143 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.126 4.963 -27.984 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -6.043 5.774 -27.280 1.00 0.00 O ATOM 0 H ASP A 77 -4.066 2.220 -24.706 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.794 4.342 -26.110 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.263 3.169 -26.120 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.626 4.574 -25.138 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.146 5.143 -23.205 1.00 0.00 N ATOM 1030 CA GLY A 78 -3.993 6.103 -22.110 1.00 0.00 C ATOM 1031 C GLY A 78 -4.529 5.591 -20.799 1.00 0.00 C ATOM 1032 O GLY A 78 -5.354 4.666 -20.801 1.00 0.00 O ATOM 0 H GLY A 78 -4.863 4.433 -23.059 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.937 6.348 -21.994 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.508 7.028 -22.370 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.061 6.112 -19.664 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.527 5.595 -18.381 1.00 0.00 C ATOM 1038 C CYS A 79 -5.195 6.588 -17.459 1.00 0.00 C ATOM 1039 O CYS A 79 -4.841 7.758 -17.390 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.372 5.000 -17.598 1.00 0.00 C ATOM 1041 SG CYS A 79 -2.207 4.063 -18.631 1.00 0.00 S ATOM 0 H CYS A 79 -3.380 6.869 -19.607 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.281 4.864 -18.673 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.834 5.802 -17.092 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.768 4.344 -16.823 1.00 0.00 H new ATOM 1046 N GLU A 80 -6.174 6.046 -16.755 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.969 6.779 -15.793 1.00 0.00 C ATOM 1048 C GLU A 80 -7.276 5.898 -14.584 1.00 0.00 C ATOM 1049 O GLU A 80 -7.694 4.747 -14.735 1.00 0.00 O ATOM 1050 CB GLU A 80 -8.264 7.266 -16.431 1.00 0.00 C ATOM 1051 CG GLU A 80 -9.142 6.143 -16.965 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.603 6.327 -16.610 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.884 6.785 -15.482 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -11.464 6.019 -17.458 1.00 0.00 O ATOM 0 H GLU A 80 -6.441 5.065 -16.840 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.399 7.647 -15.461 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.829 7.838 -15.695 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.023 7.947 -17.248 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.039 6.090 -18.049 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.792 5.191 -16.565 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.967 6.398 -13.383 1.00 0.00 N ATOM 1062 CA GLU A 81 -7.107 5.621 -12.162 1.00 0.00 C ATOM 1063 C GLU A 81 -8.482 5.035 -11.949 1.00 0.00 C ATOM 1064 O GLU A 81 -9.487 5.738 -12.006 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.739 6.479 -10.953 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.190 7.918 -11.056 1.00 0.00 C ATOM 1067 CD GLU A 81 -6.074 8.906 -10.787 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -5.298 8.680 -9.836 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -5.970 9.902 -11.533 1.00 0.00 O ATOM 0 H GLU A 81 -6.616 7.345 -13.238 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.424 4.778 -12.272 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.178 6.035 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.657 6.457 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.594 8.096 -12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.000 8.091 -10.348 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.511 3.737 -11.674 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.731 3.034 -11.418 1.00 0.00 C ATOM 1078 C ASP A 82 -9.854 2.742 -9.938 1.00 0.00 C ATOM 1079 O ASP A 82 -9.183 1.853 -9.409 1.00 0.00 O ATOM 1080 CB ASP A 82 -9.809 1.731 -12.201 1.00 0.00 C ATOM 1081 CG ASP A 82 -8.573 0.865 -12.051 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -7.641 1.287 -11.359 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.537 -0.240 -12.628 1.00 0.00 O ATOM 0 H ASP A 82 -7.677 3.152 -11.625 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.553 3.671 -11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.681 1.168 -11.869 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.959 1.958 -13.256 1.00 0.00 H new ATOM 1088 N PRO A 83 -10.727 3.486 -9.248 1.00 0.00 N ATOM 1089 CA PRO A 83 -10.982 3.309 -7.823 1.00 0.00 C ATOM 1090 C PRO A 83 -11.321 1.863 -7.551 1.00 0.00 C ATOM 1091 O PRO A 83 -11.227 1.363 -6.429 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.184 4.233 -7.576 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.006 5.281 -8.593 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.541 4.547 -9.807 1.00 0.00 C ATOM 0 HA PRO A 83 -10.137 3.547 -7.177 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.130 3.707 -7.699 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.177 4.644 -6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.939 5.812 -8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.275 6.024 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.376 4.154 -10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.966 5.190 -10.473 1.00 0.00 H new ATOM 1102 N ALA A 84 -11.644 1.199 -8.637 1.00 0.00 N ATOM 1103 CA ALA A 84 -11.927 -0.189 -8.652 1.00 0.00 C ATOM 1104 C ALA A 84 -10.648 -0.925 -8.283 1.00 0.00 C ATOM 1105 O ALA A 84 -10.673 -1.966 -7.640 1.00 0.00 O ATOM 1106 CB ALA A 84 -12.404 -0.541 -10.051 1.00 0.00 C ATOM 0 H ALA A 84 -11.715 1.638 -9.555 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.702 -0.471 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.632 -1.606 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.300 0.033 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.622 -0.304 -10.772 1.00 0.00 H new ATOM 1112 N CYS A 85 -9.521 -0.369 -8.739 1.00 0.00 N ATOM 1113 CA CYS A 85 -8.230 -0.958 -8.494 1.00 0.00 C ATOM 1114 C CYS A 85 -7.488 -0.442 -7.244 1.00 0.00 C ATOM 1115 O CYS A 85 -6.794 -1.247 -6.627 1.00 0.00 O ATOM 1116 CB CYS A 85 -7.294 -0.863 -9.707 1.00 0.00 C ATOM 1117 SG CYS A 85 -7.005 -2.462 -10.530 1.00 0.00 S ATOM 0 H CYS A 85 -9.493 0.494 -9.282 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.481 -2.001 -8.300 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.717 -0.164 -10.428 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -6.337 -0.451 -9.386 1.00 0.00 H new ATOM 1122 N ASP A 86 -7.569 0.867 -6.832 1.00 0.00 N ATOM 1123 CA ASP A 86 -6.766 1.254 -5.631 1.00 0.00 C ATOM 1124 C ASP A 86 -6.542 2.739 -5.229 1.00 0.00 C ATOM 1125 O ASP A 86 -6.156 2.977 -4.084 1.00 0.00 O ATOM 1126 CB ASP A 86 -5.344 0.789 -5.867 1.00 0.00 C ATOM 1127 CG ASP A 86 -4.550 0.634 -4.590 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -4.064 1.659 -4.071 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.419 -0.509 -4.103 1.00 0.00 O ATOM 0 H ASP A 86 -8.125 1.604 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.380 0.816 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.363 -0.165 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.838 1.502 -6.518 1.00 0.00 H new ATOM 1134 N PRO A 87 -6.586 3.732 -6.128 1.00 0.00 N ATOM 1135 CA PRO A 87 -6.185 5.108 -5.806 1.00 0.00 C ATOM 1136 C PRO A 87 -7.334 6.052 -5.616 1.00 0.00 C ATOM 1137 O PRO A 87 -7.663 6.458 -4.496 1.00 0.00 O ATOM 1138 CB PRO A 87 -5.379 5.471 -7.076 1.00 0.00 C ATOM 1139 CG PRO A 87 -5.581 4.304 -8.012 1.00 0.00 C ATOM 1140 CD PRO A 87 -6.849 3.666 -7.543 1.00 0.00 C ATOM 0 HA PRO A 87 -5.648 5.183 -4.860 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.738 6.400 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.323 5.615 -6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.662 4.635 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.744 3.607 -7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.740 4.220 -7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.973 2.646 -7.907 1.00 0.00 H new ATOM 1148 N GLU A 88 -7.979 6.343 -6.726 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.145 7.188 -6.692 1.00 0.00 C ATOM 1150 C GLU A 88 -10.238 6.399 -5.969 1.00 0.00 C ATOM 1151 O GLU A 88 -11.391 6.811 -5.851 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.562 7.508 -8.128 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.557 8.644 -8.238 1.00 0.00 C ATOM 1154 CD GLU A 88 -9.902 9.941 -8.657 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -8.893 9.885 -9.393 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -10.393 11.012 -8.247 1.00 0.00 O ATOM 0 H GLU A 88 -7.716 6.009 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.958 8.129 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.673 7.759 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.994 6.614 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.329 8.379 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.053 8.784 -7.278 1.00 0.00 H new ATOM 1163 N ALA A 89 -9.808 5.191 -5.608 1.00 0.00 N ATOM 1164 CA ALA A 89 -10.574 4.131 -5.007 1.00 0.00 C ATOM 1165 C ALA A 89 -11.178 4.323 -3.624 1.00 0.00 C ATOM 1166 O ALA A 89 -11.092 5.348 -2.942 1.00 0.00 O ATOM 1167 CB ALA A 89 -9.664 2.915 -4.984 1.00 0.00 C ATOM 0 H ALA A 89 -8.834 4.919 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.469 4.055 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.193 2.073 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.372 2.660 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.773 3.138 -4.396 1.00 0.00 H new ATOM 1173 N ALA A 90 -11.724 3.169 -3.277 1.00 0.00 N ATOM 1174 CA ALA A 90 -12.365 2.736 -2.072 1.00 0.00 C ATOM 1175 C ALA A 90 -11.338 1.903 -1.324 1.00 0.00 C ATOM 1176 O ALA A 90 -10.136 2.122 -1.514 1.00 0.00 O ATOM 1177 CB ALA A 90 -13.545 1.861 -2.466 1.00 0.00 C ATOM 0 H ALA A 90 -11.719 2.404 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.716 3.565 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.056 1.514 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.238 2.439 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -13.188 1.003 -3.035 1.00 0.00 H new ATOM 1183 N PHE A 91 -11.736 0.955 -0.497 1.00 0.00 N ATOM 1184 CA PHE A 91 -10.746 0.166 0.226 1.00 0.00 C ATOM 1185 C PHE A 91 -9.888 -0.639 -0.764 1.00 0.00 C ATOM 1186 O PHE A 91 -8.997 -1.382 -0.360 1.00 0.00 O ATOM 1187 CB PHE A 91 -11.432 -0.723 1.285 1.00 0.00 C ATOM 1188 CG PHE A 91 -11.472 -2.200 0.991 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -12.324 -2.707 0.024 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -10.677 -3.081 1.706 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -12.369 -4.063 -0.236 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -10.721 -4.439 1.453 1.00 0.00 C ATOM 1193 CZ PHE A 91 -11.573 -4.931 0.486 1.00 0.00 C ATOM 0 H PHE A 91 -12.709 0.713 -0.309 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.072 0.831 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.921 -0.577 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.456 -0.372 1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -12.960 -2.035 -0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.015 -2.702 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -13.026 -4.444 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -10.089 -5.114 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 91 -11.618 -5.993 0.294 1.00 0.00 H new ATOM 1203 N SER A 92 -10.170 -0.468 -2.065 1.00 0.00 N ATOM 1204 CA SER A 92 -9.443 -1.128 -3.138 1.00 0.00 C ATOM 1205 C SER A 92 -8.045 -0.549 -3.268 1.00 0.00 C ATOM 1206 O SER A 92 -7.113 -1.318 -3.580 1.00 0.00 O ATOM 1207 CB SER A 92 -10.186 -0.895 -4.462 1.00 0.00 C ATOM 1208 OG SER A 92 -9.508 -1.504 -5.543 1.00 0.00 O ATOM 1209 OXT SER A 92 -7.891 0.672 -3.049 1.00 0.00 O ATOM 0 H SER A 92 -10.919 0.141 -2.395 1.00 0.00 H new ATOM 0 HA SER A 92 -9.375 -2.192 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.197 -1.297 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.281 0.175 -4.645 1.00 0.00 H new ATOM 0 HG SER A 92 -10.160 -1.914 -6.149 1.00 0.00 H new TER 1215 SER A 92