USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 12 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.0068) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 100:sc= -4.01! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.31 USER MOD Single : A 43 TYR OH : rot 147:sc= 0.0952 USER MOD Single : A 45 ASN : amide:sc= -0.0455 X(o=-0.046,f=-0.44) USER MOD Single : A 46 ASN : amide:sc= -3.81! C(o=-3.8!,f=-4.4!) USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= -0.117 (180deg=-0.548) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.403 K(o=-0.4,f=-3.3) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 73 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.012) USER MOD Single : A 75 SER OG : rot 41:sc= 0.255 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 55:sc= 1.27 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0638 K(o=-0.064,f=-0.81) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 38:sc= -4.88! USER MOD Single : A 88 SER OG : rot 17:sc= 0.424 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N VAL A 9 17.789 -6.578 1.276 1.00 0.00 N ATOM 81 CA VAL A 9 17.301 -5.412 2.003 1.00 0.00 C ATOM 82 C VAL A 9 16.204 -5.799 2.989 1.00 0.00 C ATOM 83 O VAL A 9 15.453 -6.747 2.757 1.00 0.00 O ATOM 84 CB VAL A 9 16.756 -4.339 1.042 1.00 0.00 C ATOM 85 CG1 VAL A 9 16.400 -3.071 1.804 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.768 -4.044 -0.055 1.00 0.00 C ATOM 0 HA VAL A 9 18.150 -5.002 2.550 1.00 0.00 H new ATOM 0 HB VAL A 9 15.848 -4.721 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.017 -2.324 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.638 -3.297 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 9 17.290 -2.682 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.367 -3.284 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.694 -3.682 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.969 -4.955 -0.619 1.00 0.00 H new ATOM 96 N ARG A 10 16.117 -5.060 4.090 1.00 0.00 N ATOM 97 CA ARG A 10 15.112 -5.326 5.112 1.00 0.00 C ATOM 98 C ARG A 10 14.096 -4.190 5.185 1.00 0.00 C ATOM 99 O ARG A 10 14.350 -3.085 4.704 1.00 0.00 O ATOM 100 CB ARG A 10 15.779 -5.516 6.476 1.00 0.00 C ATOM 101 CG ARG A 10 16.277 -6.932 6.718 1.00 0.00 C ATOM 102 CD ARG A 10 17.364 -6.965 7.781 1.00 0.00 C ATOM 103 NE ARG A 10 17.498 -8.288 8.385 1.00 0.00 N ATOM 104 CZ ARG A 10 16.593 -8.817 9.202 1.00 0.00 C ATOM 105 NH1 ARG A 10 15.495 -8.140 9.508 1.00 0.00 N ATOM 106 NH2 ARG A 10 16.786 -10.027 9.712 1.00 0.00 N ATOM 0 H ARG A 10 16.731 -4.272 4.297 1.00 0.00 H new ATOM 0 HA ARG A 10 14.588 -6.242 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.618 -4.825 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.068 -5.251 7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.445 -7.564 7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.664 -7.347 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.315 -6.671 7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.135 -6.234 8.556 1.00 0.00 H new ATOM 0 HE ARG A 10 18.331 -8.835 8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.343 -7.211 9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.802 -8.549 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.629 -10.551 9.477 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.091 -10.433 10.339 1.00 0.00 H new ATOM 120 N PHE A 11 12.946 -4.469 5.788 1.00 0.00 N ATOM 121 CA PHE A 11 11.891 -3.472 5.922 1.00 0.00 C ATOM 122 C PHE A 11 12.054 -2.678 7.215 1.00 0.00 C ATOM 123 O PHE A 11 11.688 -3.146 8.292 1.00 0.00 O ATOM 124 CB PHE A 11 10.517 -4.144 5.894 1.00 0.00 C ATOM 125 CG PHE A 11 9.938 -4.267 4.513 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.445 -3.153 3.853 1.00 0.00 C ATOM 127 CD2 PHE A 11 9.886 -5.496 3.876 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.911 -3.263 2.583 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.354 -5.612 2.605 1.00 0.00 C ATOM 130 CZ PHE A 11 8.866 -4.494 1.958 1.00 0.00 C ATOM 0 H PHE A 11 12.721 -5.378 6.192 1.00 0.00 H new ATOM 0 HA PHE A 11 11.968 -2.784 5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.598 -5.137 6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.829 -3.573 6.518 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.478 -2.188 4.336 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.265 -6.374 4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.529 -2.387 2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.320 -6.576 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.450 -4.582 0.965 1.00 0.00 H new ATOM 140 N GLN A 12 12.608 -1.475 7.098 1.00 0.00 N ATOM 141 CA GLN A 12 12.821 -0.617 8.257 1.00 0.00 C ATOM 142 C GLN A 12 11.498 -0.284 8.939 1.00 0.00 C ATOM 143 O GLN A 12 11.350 -0.465 10.147 1.00 0.00 O ATOM 144 CB GLN A 12 13.532 0.672 7.840 1.00 0.00 C ATOM 145 CG GLN A 12 13.861 1.590 9.006 1.00 0.00 C ATOM 146 CD GLN A 12 14.984 1.052 9.872 1.00 0.00 C ATOM 147 OE1 GLN A 12 14.791 0.772 11.055 1.00 0.00 O ATOM 148 NE2 GLN A 12 16.166 0.906 9.285 1.00 0.00 N ATOM 0 H GLN A 12 12.917 -1.073 6.213 1.00 0.00 H new ATOM 0 HA GLN A 12 13.448 -1.157 8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.454 0.416 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.904 1.210 7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.140 2.572 8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 12 12.970 1.728 9.618 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.281 1.151 8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.959 0.549 9.818 1.00 0.00 H new ATOM 157 N GLU A 13 10.540 0.203 8.156 1.00 0.00 N ATOM 158 CA GLU A 13 9.230 0.562 8.686 1.00 0.00 C ATOM 159 C GLU A 13 8.115 -0.037 7.833 1.00 0.00 C ATOM 160 O GLU A 13 7.154 0.646 7.481 1.00 0.00 O ATOM 161 CB GLU A 13 9.079 2.083 8.748 1.00 0.00 C ATOM 162 CG GLU A 13 7.985 2.548 9.693 1.00 0.00 C ATOM 163 CD GLU A 13 8.334 2.315 11.150 1.00 0.00 C ATOM 164 OE1 GLU A 13 9.490 2.585 11.535 1.00 0.00 O ATOM 165 OE2 GLU A 13 7.449 1.861 11.906 1.00 0.00 O ATOM 0 H GLU A 13 10.647 0.358 7.153 1.00 0.00 H new ATOM 0 HA GLU A 13 9.151 0.155 9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.027 2.521 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.867 2.460 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.799 3.610 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.059 2.024 9.457 1.00 0.00 H new ATOM 172 N ALA A 14 8.253 -1.317 7.503 1.00 0.00 N ATOM 173 CA ALA A 14 7.258 -2.008 6.693 1.00 0.00 C ATOM 174 C ALA A 14 5.853 -1.497 6.995 1.00 0.00 C ATOM 175 O ALA A 14 5.571 -1.046 8.105 1.00 0.00 O ATOM 176 CB ALA A 14 7.337 -3.509 6.926 1.00 0.00 C ATOM 0 H ALA A 14 9.044 -1.896 7.784 1.00 0.00 H new ATOM 0 HA ALA A 14 7.474 -1.803 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.588 -4.012 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.329 -3.868 6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.150 -3.724 7.978 1.00 0.00 H new ATOM 182 N LEU A 15 4.975 -1.571 6.000 1.00 0.00 N ATOM 183 CA LEU A 15 3.599 -1.115 6.159 1.00 0.00 C ATOM 184 C LEU A 15 2.984 -1.676 7.437 1.00 0.00 C ATOM 185 O LEU A 15 3.383 -2.737 7.918 1.00 0.00 O ATOM 186 CB LEU A 15 2.759 -1.533 4.950 1.00 0.00 C ATOM 187 CG LEU A 15 3.186 -0.948 3.603 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.803 -1.886 2.469 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.562 0.424 3.396 1.00 0.00 C ATOM 0 H LEU A 15 5.192 -1.942 5.075 1.00 0.00 H new ATOM 0 HA LEU A 15 3.609 -0.027 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.782 -2.620 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.724 -1.248 5.136 1.00 0.00 H new ATOM 0 HG LEU A 15 4.270 -0.836 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.115 -1.454 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.297 -2.847 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.723 -2.030 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.877 0.825 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.476 0.336 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.886 1.095 4.192 1.00 0.00 H new ATOM 201 N LYS A 16 2.007 -0.958 7.982 1.00 0.00 N ATOM 202 CA LYS A 16 1.333 -1.385 9.203 1.00 0.00 C ATOM 203 C LYS A 16 -0.178 -1.221 9.076 1.00 0.00 C ATOM 204 O LYS A 16 -0.680 -0.795 8.035 1.00 0.00 O ATOM 205 CB LYS A 16 1.845 -0.580 10.400 1.00 0.00 C ATOM 206 CG LYS A 16 3.345 -0.688 10.610 1.00 0.00 C ATOM 207 CD LYS A 16 3.854 0.382 11.560 1.00 0.00 C ATOM 208 CE LYS A 16 3.613 -0.001 13.012 1.00 0.00 C ATOM 209 NZ LYS A 16 3.741 1.170 13.923 1.00 0.00 N ATOM 0 H LYS A 16 1.664 -0.078 7.597 1.00 0.00 H new ATOM 0 HA LYS A 16 1.554 -2.441 9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.581 0.468 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.335 -0.921 11.301 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.587 -1.674 11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.855 -0.597 9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.920 0.538 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.357 1.328 11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.617 -0.433 13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.326 -0.771 13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.570 0.868 14.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.699 1.567 13.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.044 1.894 13.657 1.00 0.00 H new ATOM 223 N ASP A 17 -0.897 -1.561 10.140 1.00 0.00 N ATOM 224 CA ASP A 17 -2.351 -1.450 10.147 1.00 0.00 C ATOM 225 C ASP A 17 -2.786 -0.003 9.938 1.00 0.00 C ATOM 226 O ASP A 17 -2.105 0.930 10.366 1.00 0.00 O ATOM 227 CB ASP A 17 -2.917 -1.980 11.465 1.00 0.00 C ATOM 228 CG ASP A 17 -2.215 -3.240 11.932 1.00 0.00 C ATOM 229 OD1 ASP A 17 -2.226 -4.238 11.182 1.00 0.00 O ATOM 230 OD2 ASP A 17 -1.654 -3.228 13.047 1.00 0.00 O ATOM 0 H ASP A 17 -0.497 -1.916 11.009 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.741 -2.050 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.825 -1.211 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.981 -2.184 11.344 1.00 0.00 H new ATOM 235 N LEU A 18 -3.923 0.177 9.275 1.00 0.00 N ATOM 236 CA LEU A 18 -4.450 1.511 9.008 1.00 0.00 C ATOM 237 C LEU A 18 -5.971 1.528 9.115 1.00 0.00 C ATOM 238 O LEU A 18 -6.622 0.490 9.003 1.00 0.00 O ATOM 239 CB LEU A 18 -4.020 1.981 7.616 1.00 0.00 C ATOM 240 CG LEU A 18 -2.520 2.203 7.417 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.141 2.007 5.957 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.120 3.592 7.891 1.00 0.00 C ATOM 0 H LEU A 18 -4.498 -0.584 8.912 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.044 2.191 9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.358 1.246 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.538 2.914 7.393 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.980 1.467 8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.070 2.169 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.392 0.992 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.689 2.719 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.049 3.733 7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.668 4.343 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.356 3.697 8.950 1.00 0.00 H new ATOM 254 N GLU A 19 -6.531 2.714 9.330 1.00 0.00 N ATOM 255 CA GLU A 19 -7.976 2.866 9.451 1.00 0.00 C ATOM 256 C GLU A 19 -8.465 4.075 8.659 1.00 0.00 C ATOM 257 O GLU A 19 -7.941 5.180 8.805 1.00 0.00 O ATOM 258 CB GLU A 19 -8.375 3.009 10.921 1.00 0.00 C ATOM 259 CG GLU A 19 -9.843 3.347 11.123 1.00 0.00 C ATOM 260 CD GLU A 19 -10.113 4.838 11.064 1.00 0.00 C ATOM 261 OE1 GLU A 19 -10.042 5.497 12.122 1.00 0.00 O ATOM 262 OE2 GLU A 19 -10.394 5.345 9.958 1.00 0.00 O ATOM 0 H GLU A 19 -6.006 3.583 9.424 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.445 1.972 9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.150 2.078 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.765 3.787 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.436 2.844 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.171 2.960 12.088 1.00 0.00 H new ATOM 269 N VAL A 20 -9.472 3.858 7.819 1.00 0.00 N ATOM 270 CA VAL A 20 -10.032 4.929 7.004 1.00 0.00 C ATOM 271 C VAL A 20 -11.526 4.723 6.778 1.00 0.00 C ATOM 272 O VAL A 20 -12.063 3.646 7.041 1.00 0.00 O ATOM 273 CB VAL A 20 -9.326 5.023 5.639 1.00 0.00 C ATOM 274 CG1 VAL A 20 -7.817 5.088 5.821 1.00 0.00 C ATOM 275 CG2 VAL A 20 -9.715 3.847 4.756 1.00 0.00 C ATOM 0 H VAL A 20 -9.917 2.950 7.685 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.875 5.859 7.551 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.648 5.940 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.335 5.154 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.559 5.966 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.474 4.190 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.207 3.930 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.424 2.916 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.793 3.852 4.598 1.00 0.00 H new ATOM 285 N LEU A 21 -12.193 5.763 6.289 1.00 0.00 N ATOM 286 CA LEU A 21 -13.627 5.697 6.027 1.00 0.00 C ATOM 287 C LEU A 21 -13.899 5.468 4.543 1.00 0.00 C ATOM 288 O LEU A 21 -13.128 5.901 3.688 1.00 0.00 O ATOM 289 CB LEU A 21 -14.309 6.986 6.488 1.00 0.00 C ATOM 290 CG LEU A 21 -15.792 6.869 6.845 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.164 7.882 7.918 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.655 7.060 5.607 1.00 0.00 C ATOM 0 H LEU A 21 -11.764 6.661 6.066 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.036 4.856 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.775 7.365 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.203 7.732 5.700 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.974 5.869 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.222 7.784 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.569 7.699 8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.967 8.889 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.707 6.973 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.470 8.047 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.407 6.296 4.870 1.00 0.00 H new ATOM 304 N GLU A 22 -15.001 4.785 4.248 1.00 0.00 N ATOM 305 CA GLU A 22 -15.374 4.500 2.867 1.00 0.00 C ATOM 306 C GLU A 22 -15.507 5.790 2.062 1.00 0.00 C ATOM 307 O GLU A 22 -15.548 6.883 2.623 1.00 0.00 O ATOM 308 CB GLU A 22 -16.690 3.721 2.822 1.00 0.00 C ATOM 309 CG GLU A 22 -17.924 4.602 2.927 1.00 0.00 C ATOM 310 CD GLU A 22 -18.173 5.408 1.667 1.00 0.00 C ATOM 311 OE1 GLU A 22 -18.413 4.793 0.607 1.00 0.00 O ATOM 312 OE2 GLU A 22 -18.127 6.654 1.741 1.00 0.00 O ATOM 0 H GLU A 22 -15.650 4.420 4.945 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.585 3.894 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.736 3.156 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.701 2.996 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.794 3.979 3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.810 5.281 3.772 1.00 0.00 H new ATOM 319 N GLY A 23 -15.572 5.652 0.741 1.00 0.00 N ATOM 320 CA GLY A 23 -15.698 6.812 -0.121 1.00 0.00 C ATOM 321 C GLY A 23 -14.545 7.783 0.042 1.00 0.00 C ATOM 322 O GLY A 23 -14.653 8.953 -0.325 1.00 0.00 O ATOM 0 H GLY A 23 -15.540 4.757 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.750 6.485 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.635 7.324 0.099 1.00 0.00 H new ATOM 326 N GLY A 24 -13.439 7.298 0.597 1.00 0.00 N ATOM 327 CA GLY A 24 -12.278 8.146 0.800 1.00 0.00 C ATOM 328 C GLY A 24 -11.050 7.630 0.076 1.00 0.00 C ATOM 329 O GLY A 24 -11.159 7.014 -0.983 1.00 0.00 O ATOM 0 H GLY A 24 -13.326 6.334 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.503 9.155 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.065 8.216 1.867 1.00 0.00 H new ATOM 333 N ALA A 25 -9.878 7.885 0.648 1.00 0.00 N ATOM 334 CA ALA A 25 -8.624 7.442 0.050 1.00 0.00 C ATOM 335 C ALA A 25 -7.652 6.949 1.117 1.00 0.00 C ATOM 336 O ALA A 25 -7.588 7.500 2.215 1.00 0.00 O ATOM 337 CB ALA A 25 -7.998 8.568 -0.758 1.00 0.00 C ATOM 0 H ALA A 25 -9.770 8.396 1.524 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.842 6.609 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.063 8.223 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.682 8.871 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.800 9.418 -0.105 1.00 0.00 H new ATOM 343 N ALA A 26 -6.896 5.907 0.786 1.00 0.00 N ATOM 344 CA ALA A 26 -5.926 5.341 1.715 1.00 0.00 C ATOM 345 C ALA A 26 -4.499 5.605 1.247 1.00 0.00 C ATOM 346 O ALA A 26 -4.178 5.434 0.070 1.00 0.00 O ATOM 347 CB ALA A 26 -6.161 3.847 1.879 1.00 0.00 C ATOM 0 H ALA A 26 -6.937 5.438 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.060 5.827 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.429 3.438 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.165 3.677 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.057 3.354 0.912 1.00 0.00 H new ATOM 353 N THR A 27 -3.644 6.025 2.175 1.00 0.00 N ATOM 354 CA THR A 27 -2.252 6.314 1.857 1.00 0.00 C ATOM 355 C THR A 27 -1.311 5.369 2.595 1.00 0.00 C ATOM 356 O THR A 27 -1.001 5.577 3.769 1.00 0.00 O ATOM 357 CB THR A 27 -1.885 7.767 2.214 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.668 8.676 1.432 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.406 8.027 1.971 1.00 0.00 C ATOM 0 H THR A 27 -3.892 6.172 3.153 1.00 0.00 H new ATOM 0 HA THR A 27 -2.137 6.170 0.783 1.00 0.00 H new ATOM 0 HB THR A 27 -2.096 7.922 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.430 9.597 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.171 9.059 2.230 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.188 7.353 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.174 7.855 0.920 1.00 0.00 H new ATOM 367 N LEU A 28 -0.859 4.330 1.901 1.00 0.00 N ATOM 368 CA LEU A 28 0.048 3.352 2.491 1.00 0.00 C ATOM 369 C LEU A 28 1.499 3.683 2.155 1.00 0.00 C ATOM 370 O LEU A 28 1.936 3.515 1.017 1.00 0.00 O ATOM 371 CB LEU A 28 -0.294 1.946 1.995 1.00 0.00 C ATOM 372 CG LEU A 28 -1.623 1.367 2.484 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.748 1.733 1.528 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.521 -0.143 2.638 1.00 0.00 C ATOM 0 H LEU A 28 -1.106 4.143 0.929 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.072 3.388 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.305 1.960 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.507 1.271 2.297 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.849 1.797 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.686 1.313 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.836 2.818 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.530 1.331 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.475 -0.538 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.272 -0.591 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.742 -0.383 3.362 1.00 0.00 H new ATOM 386 N ARG A 29 2.239 4.152 3.154 1.00 0.00 N ATOM 387 CA ARG A 29 3.641 4.505 2.965 1.00 0.00 C ATOM 388 C ARG A 29 4.544 3.625 3.824 1.00 0.00 C ATOM 389 O ARG A 29 4.101 3.042 4.814 1.00 0.00 O ATOM 390 CB ARG A 29 3.869 5.978 3.310 1.00 0.00 C ATOM 391 CG ARG A 29 3.369 6.364 4.693 1.00 0.00 C ATOM 392 CD ARG A 29 4.185 7.504 5.282 1.00 0.00 C ATOM 393 NE ARG A 29 3.846 7.754 6.680 1.00 0.00 N ATOM 394 CZ ARG A 29 2.729 8.360 7.068 1.00 0.00 C ATOM 395 NH1 ARG A 29 1.849 8.775 6.168 1.00 0.00 N ATOM 396 NH2 ARG A 29 2.491 8.552 8.359 1.00 0.00 N ATOM 0 H ARG A 29 1.891 4.296 4.102 1.00 0.00 H new ATOM 0 HA ARG A 29 3.893 4.341 1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.935 6.197 3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.369 6.598 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.321 6.658 4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.420 5.499 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.246 7.269 5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.015 8.410 4.700 1.00 0.00 H new ATOM 0 HE ARG A 29 4.502 7.447 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.028 8.629 5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.992 9.240 6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.166 8.234 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.633 9.017 8.656 1.00 0.00 H new ATOM 410 N CYS A 30 5.812 3.533 3.437 1.00 0.00 N ATOM 411 CA CYS A 30 6.778 2.722 4.171 1.00 0.00 C ATOM 412 C CYS A 30 8.206 3.120 3.811 1.00 0.00 C ATOM 413 O CYS A 30 8.477 3.554 2.692 1.00 0.00 O ATOM 414 CB CYS A 30 6.559 1.238 3.875 1.00 0.00 C ATOM 415 SG CYS A 30 6.708 0.805 2.126 1.00 0.00 S ATOM 0 H CYS A 30 6.195 4.009 2.620 1.00 0.00 H new ATOM 0 HA CYS A 30 6.628 2.898 5.236 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.281 0.654 4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.568 0.951 4.226 1.00 0.00 H new ATOM 0 HG CYS A 30 7.883 0.295 1.904 1.00 0.00 H new ATOM 421 N VAL A 31 9.115 2.970 4.769 1.00 0.00 N ATOM 422 CA VAL A 31 10.516 3.314 4.554 1.00 0.00 C ATOM 423 C VAL A 31 11.376 2.061 4.428 1.00 0.00 C ATOM 424 O VAL A 31 11.240 1.120 5.210 1.00 0.00 O ATOM 425 CB VAL A 31 11.062 4.185 5.701 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.526 4.522 5.464 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.232 5.451 5.850 1.00 0.00 C ATOM 0 H VAL A 31 8.907 2.613 5.701 1.00 0.00 H new ATOM 0 HA VAL A 31 10.564 3.880 3.623 1.00 0.00 H new ATOM 0 HB VAL A 31 10.990 3.620 6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.895 5.138 6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.107 3.601 5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.626 5.069 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.632 6.054 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.270 6.022 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.198 5.185 6.069 1.00 0.00 H new ATOM 437 N LEU A 32 12.262 2.056 3.438 1.00 0.00 N ATOM 438 CA LEU A 32 13.147 0.919 3.209 1.00 0.00 C ATOM 439 C LEU A 32 14.540 1.191 3.767 1.00 0.00 C ATOM 440 O LEU A 32 14.950 2.344 3.903 1.00 0.00 O ATOM 441 CB LEU A 32 13.235 0.611 1.713 1.00 0.00 C ATOM 442 CG LEU A 32 11.910 0.321 1.007 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.989 0.715 -0.460 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.541 -1.148 1.148 1.00 0.00 C ATOM 0 H LEU A 32 12.387 2.826 2.781 1.00 0.00 H new ATOM 0 HA LEU A 32 12.731 0.056 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.711 1.456 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.891 -0.249 1.578 1.00 0.00 H new ATOM 0 HG LEU A 32 11.130 0.918 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.037 0.501 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.206 1.780 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.781 0.146 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.595 -1.336 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.322 -1.764 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.441 -1.398 2.204 1.00 0.00 H new ATOM 456 N SER A 33 15.263 0.123 4.087 1.00 0.00 N ATOM 457 CA SER A 33 16.609 0.246 4.632 1.00 0.00 C ATOM 458 C SER A 33 17.586 0.730 3.564 1.00 0.00 C ATOM 459 O SER A 33 18.514 1.485 3.852 1.00 0.00 O ATOM 460 CB SER A 33 17.079 -1.095 5.198 1.00 0.00 C ATOM 461 OG SER A 33 18.051 -0.909 6.212 1.00 0.00 O ATOM 0 H SER A 33 14.939 -0.838 3.978 1.00 0.00 H new ATOM 0 HA SER A 33 16.582 0.982 5.436 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.227 -1.641 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.497 -1.705 4.397 1.00 0.00 H new ATOM 0 HG SER A 33 18.334 -1.781 6.558 1.00 0.00 H new ATOM 467 N SER A 34 17.368 0.289 2.329 1.00 0.00 N ATOM 468 CA SER A 34 18.230 0.673 1.217 1.00 0.00 C ATOM 469 C SER A 34 17.404 1.189 0.043 1.00 0.00 C ATOM 470 O SER A 34 16.221 0.872 -0.087 1.00 0.00 O ATOM 471 CB SER A 34 19.083 -0.516 0.771 1.00 0.00 C ATOM 472 OG SER A 34 20.251 -0.082 0.096 1.00 0.00 O ATOM 0 H SER A 34 16.602 -0.334 2.073 1.00 0.00 H new ATOM 0 HA SER A 34 18.886 1.474 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.362 -1.113 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.499 -1.161 0.115 1.00 0.00 H new ATOM 0 HG SER A 34 20.780 -0.861 -0.177 1.00 0.00 H new ATOM 478 N VAL A 35 18.036 1.988 -0.811 1.00 0.00 N ATOM 479 CA VAL A 35 17.361 2.549 -1.976 1.00 0.00 C ATOM 480 C VAL A 35 17.412 1.586 -3.157 1.00 0.00 C ATOM 481 O VAL A 35 18.390 1.553 -3.902 1.00 0.00 O ATOM 482 CB VAL A 35 17.989 3.892 -2.395 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.135 4.573 -3.454 1.00 0.00 C ATOM 484 CG2 VAL A 35 18.173 4.795 -1.185 1.00 0.00 C ATOM 0 H VAL A 35 19.014 2.261 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 35 16.322 2.715 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 35 18.971 3.696 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.594 5.520 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.060 3.929 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.138 4.758 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.618 5.739 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.204 4.986 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.829 4.308 -0.464 1.00 0.00 H new ATOM 494 N ALA A 36 16.350 0.804 -3.321 1.00 0.00 N ATOM 495 CA ALA A 36 16.272 -0.158 -4.413 1.00 0.00 C ATOM 496 C ALA A 36 15.044 0.094 -5.281 1.00 0.00 C ATOM 497 O ALA A 36 14.028 0.599 -4.803 1.00 0.00 O ATOM 498 CB ALA A 36 16.250 -1.578 -3.865 1.00 0.00 C ATOM 0 H ALA A 36 15.532 0.818 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 36 17.157 -0.034 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.192 -2.286 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.160 -1.762 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.383 -1.704 -3.217 1.00 0.00 H new ATOM 504 N ALA A 37 15.145 -0.258 -6.558 1.00 0.00 N ATOM 505 CA ALA A 37 14.042 -0.070 -7.492 1.00 0.00 C ATOM 506 C ALA A 37 14.307 -0.795 -8.807 1.00 0.00 C ATOM 507 O ALA A 37 15.421 -1.237 -9.087 1.00 0.00 O ATOM 508 CB ALA A 37 13.808 1.412 -7.742 1.00 0.00 C ATOM 0 H ALA A 37 15.980 -0.675 -6.970 1.00 0.00 H new ATOM 0 HA ALA A 37 13.144 -0.498 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.981 1.537 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.565 1.906 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.710 1.857 -8.163 1.00 0.00 H new ATOM 514 N PRO A 38 13.259 -0.921 -9.636 1.00 0.00 N ATOM 515 CA PRO A 38 11.928 -0.399 -9.313 1.00 0.00 C ATOM 516 C PRO A 38 11.257 -1.178 -8.188 1.00 0.00 C ATOM 517 O PRO A 38 11.785 -2.185 -7.715 1.00 0.00 O ATOM 518 CB PRO A 38 11.152 -0.574 -10.621 1.00 0.00 C ATOM 519 CG PRO A 38 11.842 -1.692 -11.324 1.00 0.00 C ATOM 520 CD PRO A 38 13.294 -1.584 -10.950 1.00 0.00 C ATOM 0 HA PRO A 38 11.969 0.631 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.105 -0.812 -10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.169 0.339 -11.217 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.432 -2.655 -11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.710 -1.615 -12.403 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.768 -2.564 -10.893 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.855 -1.000 -11.680 1.00 0.00 H new ATOM 528 N VAL A 39 10.089 -0.707 -7.762 1.00 0.00 N ATOM 529 CA VAL A 39 9.345 -1.360 -6.692 1.00 0.00 C ATOM 530 C VAL A 39 8.107 -2.065 -7.236 1.00 0.00 C ATOM 531 O VAL A 39 7.420 -1.548 -8.117 1.00 0.00 O ATOM 532 CB VAL A 39 8.914 -0.352 -5.610 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.426 -1.079 -4.367 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.062 0.588 -5.272 1.00 0.00 C ATOM 0 H VAL A 39 9.638 0.125 -8.142 1.00 0.00 H new ATOM 0 HA VAL A 39 10.013 -2.096 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 39 8.089 0.244 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.126 -0.351 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.573 -1.707 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.229 -1.701 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.741 1.294 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.908 0.010 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.360 1.134 -6.167 1.00 0.00 H new ATOM 544 N LYS A 40 7.826 -3.250 -6.704 1.00 0.00 N ATOM 545 CA LYS A 40 6.670 -4.028 -7.133 1.00 0.00 C ATOM 546 C LYS A 40 5.585 -4.026 -6.060 1.00 0.00 C ATOM 547 O LYS A 40 5.875 -4.156 -4.871 1.00 0.00 O ATOM 548 CB LYS A 40 7.086 -5.465 -7.451 1.00 0.00 C ATOM 549 CG LYS A 40 5.938 -6.340 -7.926 1.00 0.00 C ATOM 550 CD LYS A 40 6.442 -7.605 -8.598 1.00 0.00 C ATOM 551 CE LYS A 40 5.462 -8.107 -9.648 1.00 0.00 C ATOM 552 NZ LYS A 40 5.582 -7.349 -10.925 1.00 0.00 N ATOM 0 H LYS A 40 8.384 -3.693 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 40 6.266 -3.566 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.861 -5.449 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.528 -5.912 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.306 -6.604 -7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.317 -5.779 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.408 -7.411 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.600 -8.379 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.641 -9.166 -9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.445 -8.019 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.898 -7.721 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.386 -6.343 -10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.546 -7.454 -11.302 1.00 0.00 H new ATOM 566 N TRP A 41 4.337 -3.881 -6.489 1.00 0.00 N ATOM 567 CA TRP A 41 3.208 -3.865 -5.564 1.00 0.00 C ATOM 568 C TRP A 41 2.234 -4.995 -5.875 1.00 0.00 C ATOM 569 O TRP A 41 1.558 -4.980 -6.904 1.00 0.00 O ATOM 570 CB TRP A 41 2.485 -2.518 -5.633 1.00 0.00 C ATOM 571 CG TRP A 41 3.154 -1.443 -4.831 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.292 -0.763 -5.159 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.726 -0.927 -3.566 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.597 0.145 -4.174 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.651 0.065 -3.187 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.650 -1.204 -2.718 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.532 0.777 -1.996 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.534 -0.496 -1.537 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.470 0.485 -1.185 1.00 0.00 C ATOM 0 H TRP A 41 4.080 -3.773 -7.470 1.00 0.00 H new ATOM 0 HA TRP A 41 3.594 -4.011 -4.555 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.423 -2.200 -6.674 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.463 -2.644 -5.277 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.867 -0.916 -6.060 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.398 0.776 -4.177 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.923 -1.958 -2.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.253 1.533 -1.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.707 -0.703 -0.874 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.351 1.021 -0.255 1.00 0.00 H new ATOM 590 N CYS A 42 2.166 -5.974 -4.979 1.00 0.00 N ATOM 591 CA CYS A 42 1.274 -7.114 -5.159 1.00 0.00 C ATOM 592 C CYS A 42 0.076 -7.020 -4.220 1.00 0.00 C ATOM 593 O CYS A 42 0.156 -6.408 -3.154 1.00 0.00 O ATOM 594 CB CYS A 42 2.028 -8.422 -4.913 1.00 0.00 C ATOM 595 SG CYS A 42 2.130 -8.900 -3.172 1.00 0.00 S ATOM 0 H CYS A 42 2.717 -6.001 -4.121 1.00 0.00 H new ATOM 0 HA CYS A 42 0.910 -7.100 -6.186 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.539 -9.221 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.038 -8.327 -5.312 1.00 0.00 H new ATOM 0 HG CYS A 42 2.783 -10.019 -3.067 1.00 0.00 H new ATOM 601 N TYR A 43 -1.034 -7.627 -4.623 1.00 0.00 N ATOM 602 CA TYR A 43 -2.251 -7.608 -3.820 1.00 0.00 C ATOM 603 C TYR A 43 -2.864 -9.002 -3.726 1.00 0.00 C ATOM 604 O TYR A 43 -2.771 -9.798 -4.660 1.00 0.00 O ATOM 605 CB TYR A 43 -3.266 -6.632 -4.416 1.00 0.00 C ATOM 606 CG TYR A 43 -4.406 -6.298 -3.482 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.165 -5.771 -2.219 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.726 -6.508 -3.862 1.00 0.00 C ATOM 609 CE1 TYR A 43 -5.204 -5.465 -1.362 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.772 -6.203 -3.012 1.00 0.00 C ATOM 611 CZ TYR A 43 -6.505 -5.683 -1.763 1.00 0.00 C ATOM 612 OH TYR A 43 -7.543 -5.378 -0.912 1.00 0.00 O ATOM 0 H TYR A 43 -1.117 -8.139 -5.501 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.987 -7.278 -2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.753 -5.711 -4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.672 -7.059 -5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.147 -5.598 -1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.938 -6.917 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.999 -5.057 -0.383 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.792 -6.371 -3.324 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.317 -5.078 -1.434 1.00 0.00 H new ATOM 622 N GLY A 44 -3.492 -9.290 -2.590 1.00 0.00 N ATOM 623 CA GLY A 44 -4.112 -10.588 -2.394 1.00 0.00 C ATOM 624 C GLY A 44 -4.772 -11.111 -3.654 1.00 0.00 C ATOM 625 O GLY A 44 -4.550 -12.255 -4.049 1.00 0.00 O ATOM 0 H GLY A 44 -3.583 -8.648 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.358 -11.301 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.856 -10.516 -1.601 1.00 0.00 H new ATOM 629 N ASN A 45 -5.588 -10.273 -4.285 1.00 0.00 N ATOM 630 CA ASN A 45 -6.284 -10.659 -5.507 1.00 0.00 C ATOM 631 C ASN A 45 -5.298 -10.875 -6.650 1.00 0.00 C ATOM 632 O ASN A 45 -5.045 -12.007 -7.060 1.00 0.00 O ATOM 633 CB ASN A 45 -7.307 -9.589 -5.895 1.00 0.00 C ATOM 634 CG ASN A 45 -7.878 -9.812 -7.282 1.00 0.00 C ATOM 635 OD1 ASN A 45 -8.085 -10.949 -7.705 1.00 0.00 O ATOM 636 ND2 ASN A 45 -8.136 -8.723 -7.998 1.00 0.00 N ATOM 0 H ASN A 45 -5.783 -9.323 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.804 -11.598 -5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.118 -9.585 -5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.836 -8.607 -5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.521 -8.810 -8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.949 -7.800 -7.607 1.00 0.00 H new ATOM 643 N ASN A 46 -4.744 -9.780 -7.161 1.00 0.00 N ATOM 644 CA ASN A 46 -3.785 -9.850 -8.258 1.00 0.00 C ATOM 645 C ASN A 46 -2.799 -8.687 -8.193 1.00 0.00 C ATOM 646 O ASN A 46 -3.023 -7.708 -7.481 1.00 0.00 O ATOM 647 CB ASN A 46 -4.515 -9.839 -9.603 1.00 0.00 C ATOM 648 CG ASN A 46 -3.658 -9.276 -10.721 1.00 0.00 C ATOM 649 OD1 ASN A 46 -3.650 -8.069 -10.964 1.00 0.00 O ATOM 650 ND2 ASN A 46 -2.932 -10.151 -11.407 1.00 0.00 N ATOM 0 H ASN A 46 -4.942 -8.835 -6.833 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.228 -10.782 -8.162 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.818 -10.855 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.426 -9.247 -9.514 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.336 -9.832 -12.171 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.970 -11.142 -11.170 1.00 0.00 H new ATOM 657 N VAL A 47 -1.706 -8.802 -8.941 1.00 0.00 N ATOM 658 CA VAL A 47 -0.686 -7.761 -8.970 1.00 0.00 C ATOM 659 C VAL A 47 -1.306 -6.392 -9.230 1.00 0.00 C ATOM 660 O VAL A 47 -2.348 -6.283 -9.877 1.00 0.00 O ATOM 661 CB VAL A 47 0.375 -8.045 -10.049 1.00 0.00 C ATOM 662 CG1 VAL A 47 -0.236 -7.949 -11.439 1.00 0.00 C ATOM 663 CG2 VAL A 47 1.549 -7.087 -9.907 1.00 0.00 C ATOM 0 H VAL A 47 -1.504 -9.606 -9.535 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.206 -7.760 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 47 0.745 -9.061 -9.911 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.529 -8.153 -12.188 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.040 -8.679 -11.534 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.636 -6.947 -11.592 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.289 -7.302 -10.678 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.197 -6.061 -10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.003 -7.211 -8.924 1.00 0.00 H new ATOM 673 N LEU A 48 -0.658 -5.350 -8.722 1.00 0.00 N ATOM 674 CA LEU A 48 -1.144 -3.986 -8.899 1.00 0.00 C ATOM 675 C LEU A 48 -0.285 -3.228 -9.906 1.00 0.00 C ATOM 676 O LEU A 48 0.914 -3.480 -10.028 1.00 0.00 O ATOM 677 CB LEU A 48 -1.150 -3.247 -7.560 1.00 0.00 C ATOM 678 CG LEU A 48 -1.855 -3.959 -6.404 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.466 -3.333 -5.074 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.365 -3.917 -6.594 1.00 0.00 C ATOM 0 H LEU A 48 0.206 -5.423 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.163 -4.038 -9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.117 -3.057 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.624 -2.276 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.538 -5.002 -6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.977 -3.853 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.388 -3.415 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.753 -2.282 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.851 -4.428 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.699 -2.880 -6.627 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.628 -4.413 -7.528 1.00 0.00 H new ATOM 692 N ARG A 49 -0.906 -2.298 -10.625 1.00 0.00 N ATOM 693 CA ARG A 49 -0.198 -1.503 -11.620 1.00 0.00 C ATOM 694 C ARG A 49 -0.517 -0.019 -11.458 1.00 0.00 C ATOM 695 O ARG A 49 -1.626 0.365 -11.086 1.00 0.00 O ATOM 696 CB ARG A 49 -0.570 -1.964 -13.031 1.00 0.00 C ATOM 697 CG ARG A 49 -0.005 -3.328 -13.394 1.00 0.00 C ATOM 698 CD ARG A 49 -0.684 -3.901 -14.628 1.00 0.00 C ATOM 699 NE ARG A 49 -1.870 -4.682 -14.288 1.00 0.00 N ATOM 700 CZ ARG A 49 -2.682 -5.216 -15.193 1.00 0.00 C ATOM 701 NH1 ARG A 49 -2.438 -5.055 -16.486 1.00 0.00 N ATOM 702 NH2 ARG A 49 -3.742 -5.915 -14.805 1.00 0.00 N ATOM 0 H ARG A 49 -1.898 -2.077 -10.536 1.00 0.00 H new ATOM 0 HA ARG A 49 0.872 -1.646 -11.468 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.656 -1.994 -13.120 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.212 -1.228 -13.751 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.067 -3.243 -13.573 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.135 -4.012 -12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.965 -3.088 -15.297 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.021 -4.531 -15.170 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.087 -4.825 -13.302 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.624 -4.520 -16.789 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.064 -5.467 -17.178 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.933 -6.042 -13.811 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.365 -6.325 -15.501 1.00 0.00 H new ATOM 716 N PRO A 50 0.477 0.835 -11.744 1.00 0.00 N ATOM 717 CA PRO A 50 0.327 2.289 -11.637 1.00 0.00 C ATOM 718 C PRO A 50 -0.600 2.856 -12.708 1.00 0.00 C ATOM 719 O PRO A 50 -0.639 2.362 -13.833 1.00 0.00 O ATOM 720 CB PRO A 50 1.753 2.809 -11.834 1.00 0.00 C ATOM 721 CG PRO A 50 2.435 1.750 -12.629 1.00 0.00 C ATOM 722 CD PRO A 50 1.825 0.446 -12.193 1.00 0.00 C ATOM 0 HA PRO A 50 -0.121 2.584 -10.688 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.757 3.764 -12.360 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.252 2.970 -10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.290 1.910 -13.697 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.510 1.758 -12.448 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.784 -0.273 -13.012 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.398 -0.018 -11.390 1.00 0.00 H new ATOM 730 N GLY A 51 -1.344 3.898 -12.348 1.00 0.00 N ATOM 731 CA GLY A 51 -2.260 4.515 -13.290 1.00 0.00 C ATOM 732 C GLY A 51 -3.107 5.597 -12.650 1.00 0.00 C ATOM 733 O GLY A 51 -2.588 6.624 -12.214 1.00 0.00 O ATOM 0 H GLY A 51 -1.329 4.325 -11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.693 4.943 -14.117 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.911 3.750 -13.713 1.00 0.00 H new ATOM 737 N ASP A 52 -4.414 5.367 -12.595 1.00 0.00 N ATOM 738 CA ASP A 52 -5.336 6.330 -12.005 1.00 0.00 C ATOM 739 C ASP A 52 -5.822 5.852 -10.640 1.00 0.00 C ATOM 740 O ASP A 52 -5.579 6.498 -9.621 1.00 0.00 O ATOM 741 CB ASP A 52 -6.530 6.561 -12.933 1.00 0.00 C ATOM 742 CG ASP A 52 -6.112 7.079 -14.296 1.00 0.00 C ATOM 743 OD1 ASP A 52 -5.357 8.072 -14.347 1.00 0.00 O ATOM 744 OD2 ASP A 52 -6.542 6.491 -15.311 1.00 0.00 O ATOM 0 H ASP A 52 -4.859 4.522 -12.952 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.802 7.271 -11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.078 5.627 -13.055 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.213 7.273 -12.471 1.00 0.00 H new ATOM 749 N LYS A 53 -6.510 4.715 -10.628 1.00 0.00 N ATOM 750 CA LYS A 53 -7.031 4.149 -9.390 1.00 0.00 C ATOM 751 C LYS A 53 -5.958 4.133 -8.306 1.00 0.00 C ATOM 752 O LYS A 53 -6.244 4.375 -7.133 1.00 0.00 O ATOM 753 CB LYS A 53 -7.547 2.729 -9.632 1.00 0.00 C ATOM 754 CG LYS A 53 -9.018 2.672 -10.006 1.00 0.00 C ATOM 755 CD LYS A 53 -9.897 2.468 -8.784 1.00 0.00 C ATOM 756 CE LYS A 53 -10.340 3.796 -8.189 1.00 0.00 C ATOM 757 NZ LYS A 53 -11.220 4.556 -9.120 1.00 0.00 N ATOM 0 H LYS A 53 -6.720 4.167 -11.463 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.856 4.776 -9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.960 2.269 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.386 2.135 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.302 3.596 -10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.183 1.860 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.773 1.881 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.352 1.896 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.870 3.616 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.463 4.396 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.849 5.178 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.635 5.131 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.791 3.890 -9.679 1.00 0.00 H new ATOM 771 N TYR A 54 -4.724 3.848 -8.705 1.00 0.00 N ATOM 772 CA TYR A 54 -3.609 3.801 -7.767 1.00 0.00 C ATOM 773 C TYR A 54 -2.507 4.771 -8.181 1.00 0.00 C ATOM 774 O TYR A 54 -2.484 5.256 -9.312 1.00 0.00 O ATOM 775 CB TYR A 54 -3.047 2.380 -7.682 1.00 0.00 C ATOM 776 CG TYR A 54 -4.114 1.309 -7.643 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.692 0.834 -8.814 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.542 0.771 -6.436 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.667 -0.144 -8.783 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.516 -0.208 -6.396 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.076 -0.662 -7.572 1.00 0.00 C ATOM 782 OH TYR A 54 -7.046 -1.637 -7.537 1.00 0.00 O ATOM 0 H TYR A 54 -4.470 3.646 -9.672 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.980 4.098 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.397 2.203 -8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.427 2.296 -6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.374 1.236 -9.764 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.106 1.124 -5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.107 -0.501 -9.702 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.837 -0.616 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.218 -1.894 -6.607 1.00 0.00 H new ATOM 792 N SER A 55 -1.594 5.049 -7.256 1.00 0.00 N ATOM 793 CA SER A 55 -0.489 5.963 -7.522 1.00 0.00 C ATOM 794 C SER A 55 0.787 5.488 -6.835 1.00 0.00 C ATOM 795 O SER A 55 0.841 5.374 -5.609 1.00 0.00 O ATOM 796 CB SER A 55 -0.843 7.374 -7.047 1.00 0.00 C ATOM 797 OG SER A 55 0.143 8.310 -7.451 1.00 0.00 O ATOM 0 H SER A 55 -1.598 4.654 -6.315 1.00 0.00 H new ATOM 0 HA SER A 55 -0.315 5.981 -8.598 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.813 7.665 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.935 7.383 -5.961 1.00 0.00 H new ATOM 0 HG SER A 55 -0.107 9.204 -7.137 1.00 0.00 H new ATOM 803 N LEU A 56 1.813 5.212 -7.632 1.00 0.00 N ATOM 804 CA LEU A 56 3.091 4.749 -7.103 1.00 0.00 C ATOM 805 C LEU A 56 4.187 5.782 -7.343 1.00 0.00 C ATOM 806 O LEU A 56 4.393 6.233 -8.470 1.00 0.00 O ATOM 807 CB LEU A 56 3.480 3.417 -7.748 1.00 0.00 C ATOM 808 CG LEU A 56 2.469 2.279 -7.600 1.00 0.00 C ATOM 809 CD1 LEU A 56 1.340 2.435 -8.607 1.00 0.00 C ATOM 810 CD2 LEU A 56 3.154 0.932 -7.769 1.00 0.00 C ATOM 0 H LEU A 56 1.785 5.301 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 56 2.981 4.607 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.652 3.587 -8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.428 3.092 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 56 2.044 2.324 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.630 1.617 -8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.831 3.384 -8.439 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.748 2.416 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.419 0.134 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.607 0.876 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.927 0.819 -7.009 1.00 0.00 H new ATOM 822 N ARG A 57 4.888 6.152 -6.276 1.00 0.00 N ATOM 823 CA ARG A 57 5.964 7.132 -6.371 1.00 0.00 C ATOM 824 C ARG A 57 7.057 6.840 -5.347 1.00 0.00 C ATOM 825 O ARG A 57 6.797 6.791 -4.145 1.00 0.00 O ATOM 826 CB ARG A 57 5.416 8.544 -6.159 1.00 0.00 C ATOM 827 CG ARG A 57 6.446 9.638 -6.392 1.00 0.00 C ATOM 828 CD ARG A 57 6.076 10.917 -5.657 1.00 0.00 C ATOM 829 NE ARG A 57 5.133 11.732 -6.418 1.00 0.00 N ATOM 830 CZ ARG A 57 4.720 12.934 -6.029 1.00 0.00 C ATOM 831 NH1 ARG A 57 5.165 13.456 -4.895 1.00 0.00 N ATOM 832 NH2 ARG A 57 3.861 13.615 -6.776 1.00 0.00 N ATOM 0 H ARG A 57 4.730 5.788 -5.336 1.00 0.00 H new ATOM 0 HA ARG A 57 6.397 7.064 -7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.572 8.702 -6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.033 8.627 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.425 9.295 -6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.527 9.841 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.640 10.666 -4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.978 11.496 -5.460 1.00 0.00 H new ATOM 0 HE ARG A 57 4.772 11.359 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.826 12.935 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.847 14.379 -4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.517 13.216 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.544 14.537 -6.477 1.00 0.00 H new ATOM 846 N GLN A 58 8.279 6.645 -5.833 1.00 0.00 N ATOM 847 CA GLN A 58 9.410 6.357 -4.960 1.00 0.00 C ATOM 848 C GLN A 58 10.248 7.609 -4.723 1.00 0.00 C ATOM 849 O GLN A 58 10.699 8.253 -5.669 1.00 0.00 O ATOM 850 CB GLN A 58 10.280 5.254 -5.566 1.00 0.00 C ATOM 851 CG GLN A 58 11.365 4.750 -4.627 1.00 0.00 C ATOM 852 CD GLN A 58 12.579 4.223 -5.366 1.00 0.00 C ATOM 853 OE1 GLN A 58 12.543 4.029 -6.582 1.00 0.00 O ATOM 854 NE2 GLN A 58 13.662 3.988 -4.635 1.00 0.00 N ATOM 0 H GLN A 58 8.510 6.681 -6.826 1.00 0.00 H new ATOM 0 HA GLN A 58 9.019 6.017 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.643 4.418 -5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.745 5.629 -6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.671 5.559 -3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.957 3.960 -3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.647 4.163 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.509 3.632 -5.078 1.00 0.00 H new ATOM 863 N GLU A 59 10.451 7.947 -3.453 1.00 0.00 N ATOM 864 CA GLU A 59 11.234 9.123 -3.093 1.00 0.00 C ATOM 865 C GLU A 59 12.318 8.766 -2.080 1.00 0.00 C ATOM 866 O GLU A 59 12.145 8.953 -0.877 1.00 0.00 O ATOM 867 CB GLU A 59 10.325 10.213 -2.520 1.00 0.00 C ATOM 868 CG GLU A 59 10.833 11.623 -2.768 1.00 0.00 C ATOM 869 CD GLU A 59 10.094 12.662 -1.948 1.00 0.00 C ATOM 870 OE1 GLU A 59 8.845 12.627 -1.933 1.00 0.00 O ATOM 871 OE2 GLU A 59 10.763 13.510 -1.322 1.00 0.00 O ATOM 0 H GLU A 59 10.085 7.424 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 59 11.714 9.498 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.331 10.112 -2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.219 10.058 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.896 11.669 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.731 11.861 -3.827 1.00 0.00 H new ATOM 878 N GLY A 60 13.438 8.250 -2.578 1.00 0.00 N ATOM 879 CA GLY A 60 14.534 7.874 -1.705 1.00 0.00 C ATOM 880 C GLY A 60 14.090 6.963 -0.577 1.00 0.00 C ATOM 881 O GLY A 60 13.519 7.421 0.411 1.00 0.00 O ATOM 0 H GLY A 60 13.605 8.086 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.305 7.373 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.985 8.773 -1.286 1.00 0.00 H new ATOM 885 N ALA A 61 14.353 5.669 -0.727 1.00 0.00 N ATOM 886 CA ALA A 61 13.977 4.691 0.287 1.00 0.00 C ATOM 887 C ALA A 61 12.633 5.042 0.916 1.00 0.00 C ATOM 888 O ALA A 61 12.462 4.944 2.131 1.00 0.00 O ATOM 889 CB ALA A 61 15.055 4.599 1.357 1.00 0.00 C ATOM 0 H ALA A 61 14.825 5.274 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 61 13.879 3.720 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.761 3.865 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.996 4.294 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.181 5.572 1.831 1.00 0.00 H new ATOM 895 N MET A 62 11.683 5.451 0.082 1.00 0.00 N ATOM 896 CA MET A 62 10.354 5.816 0.558 1.00 0.00 C ATOM 897 C MET A 62 9.291 5.472 -0.480 1.00 0.00 C ATOM 898 O MET A 62 9.491 5.673 -1.679 1.00 0.00 O ATOM 899 CB MET A 62 10.298 7.310 0.886 1.00 0.00 C ATOM 900 CG MET A 62 9.119 7.696 1.764 1.00 0.00 C ATOM 901 SD MET A 62 8.697 9.444 1.631 1.00 0.00 S ATOM 902 CE MET A 62 7.318 9.373 0.490 1.00 0.00 C ATOM 0 H MET A 62 11.809 5.538 -0.926 1.00 0.00 H new ATOM 0 HA MET A 62 10.151 5.245 1.464 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.223 7.599 1.386 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.248 7.876 -0.044 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.253 7.095 1.487 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.352 7.460 2.802 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.945 10.381 0.307 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.646 8.931 -0.451 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.522 8.764 0.919 1.00 0.00 H new ATOM 912 N LEU A 63 8.161 4.951 -0.013 1.00 0.00 N ATOM 913 CA LEU A 63 7.066 4.578 -0.902 1.00 0.00 C ATOM 914 C LEU A 63 5.736 5.116 -0.383 1.00 0.00 C ATOM 915 O LEU A 63 5.559 5.303 0.820 1.00 0.00 O ATOM 916 CB LEU A 63 6.993 3.057 -1.044 1.00 0.00 C ATOM 917 CG LEU A 63 8.325 2.339 -1.270 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.237 0.894 -0.806 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.726 2.408 -2.736 1.00 0.00 C ATOM 0 H LEU A 63 7.979 4.777 0.976 1.00 0.00 H new ATOM 0 HA LEU A 63 7.259 5.019 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.532 2.650 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.330 2.821 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 63 9.092 2.842 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.193 0.399 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.997 0.867 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.458 0.378 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.676 1.892 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.959 1.931 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.831 3.451 -3.036 1.00 0.00 H new ATOM 931 N GLU A 64 4.805 5.361 -1.300 1.00 0.00 N ATOM 932 CA GLU A 64 3.491 5.876 -0.933 1.00 0.00 C ATOM 933 C GLU A 64 2.447 5.499 -1.981 1.00 0.00 C ATOM 934 O GLU A 64 2.498 5.965 -3.120 1.00 0.00 O ATOM 935 CB GLU A 64 3.541 7.397 -0.772 1.00 0.00 C ATOM 936 CG GLU A 64 2.269 7.990 -0.190 1.00 0.00 C ATOM 937 CD GLU A 64 2.341 9.497 -0.046 1.00 0.00 C ATOM 938 OE1 GLU A 64 2.160 10.199 -1.063 1.00 0.00 O ATOM 939 OE2 GLU A 64 2.578 9.976 1.083 1.00 0.00 O ATOM 0 H GLU A 64 4.936 5.211 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 64 3.206 5.426 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.381 7.658 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.731 7.851 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.426 7.730 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.078 7.544 0.786 1.00 0.00 H new ATOM 946 N LEU A 65 1.502 4.652 -1.588 1.00 0.00 N ATOM 947 CA LEU A 65 0.446 4.211 -2.492 1.00 0.00 C ATOM 948 C LEU A 65 -0.893 4.834 -2.110 1.00 0.00 C ATOM 949 O LEU A 65 -1.340 4.720 -0.969 1.00 0.00 O ATOM 950 CB LEU A 65 0.335 2.685 -2.473 1.00 0.00 C ATOM 951 CG LEU A 65 -0.813 2.085 -3.285 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.548 2.235 -4.775 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.015 0.621 -2.922 1.00 0.00 C ATOM 0 H LEU A 65 1.446 4.257 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 65 0.704 4.538 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.272 2.268 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.229 2.361 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.727 2.628 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.376 1.802 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.454 3.292 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.376 1.718 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.836 0.210 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.102 0.064 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.251 0.538 -1.861 1.00 0.00 H new ATOM 965 N VAL A 66 -1.531 5.491 -3.074 1.00 0.00 N ATOM 966 CA VAL A 66 -2.821 6.129 -2.840 1.00 0.00 C ATOM 967 C VAL A 66 -3.936 5.400 -3.580 1.00 0.00 C ATOM 968 O VAL A 66 -3.824 5.117 -4.773 1.00 0.00 O ATOM 969 CB VAL A 66 -2.805 7.605 -3.282 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.155 8.255 -3.021 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.693 8.362 -2.571 1.00 0.00 C ATOM 0 H VAL A 66 -1.175 5.595 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.009 6.081 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.611 7.643 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.125 9.297 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.927 7.727 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.382 8.208 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.696 9.403 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.853 8.317 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.732 7.909 -2.814 1.00 0.00 H new ATOM 981 N VAL A 67 -5.015 5.098 -2.864 1.00 0.00 N ATOM 982 CA VAL A 67 -6.154 4.403 -3.452 1.00 0.00 C ATOM 983 C VAL A 67 -7.443 5.191 -3.249 1.00 0.00 C ATOM 984 O VAL A 67 -7.974 5.256 -2.141 1.00 0.00 O ATOM 985 CB VAL A 67 -6.324 2.996 -2.850 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.513 2.286 -3.480 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.051 2.183 -3.029 1.00 0.00 C ATOM 0 H VAL A 67 -5.124 5.324 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.953 4.311 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.516 3.097 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.618 1.293 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.420 2.861 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.354 2.194 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.189 1.191 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.826 2.089 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.225 2.686 -2.526 1.00 0.00 H new ATOM 997 N ARG A 68 -7.942 5.787 -4.327 1.00 0.00 N ATOM 998 CA ARG A 68 -9.170 6.571 -4.267 1.00 0.00 C ATOM 999 C ARG A 68 -10.393 5.681 -4.463 1.00 0.00 C ATOM 1000 O ARG A 68 -10.270 4.507 -4.811 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.150 7.670 -5.331 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.064 8.711 -5.112 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.442 9.687 -4.009 1.00 0.00 C ATOM 1004 NE ARG A 68 -7.284 10.422 -3.508 1.00 0.00 N ATOM 1005 CZ ARG A 68 -7.331 11.245 -2.466 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -8.472 11.436 -1.818 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -6.234 11.879 -2.070 1.00 0.00 N ATOM 0 H ARG A 68 -7.515 5.742 -5.252 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.231 7.030 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.011 7.213 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.120 8.167 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.129 8.214 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.890 9.257 -6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.183 10.392 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.909 9.143 -3.188 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.391 10.297 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.317 10.950 -2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.505 12.068 -1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.354 11.734 -2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.271 12.511 -1.270 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.574 6.248 -4.236 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.820 5.506 -4.386 1.00 0.00 C ATOM 1023 C ASN A 69 -12.794 4.226 -3.556 1.00 0.00 C ATOM 1024 O ASN A 69 -13.107 3.143 -4.054 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.062 5.167 -5.859 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.583 6.353 -6.647 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -12.895 7.363 -6.798 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -14.805 6.236 -7.153 1.00 0.00 N ATOM 0 H ASN A 69 -11.694 7.219 -3.948 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.634 6.135 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.131 4.818 -6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.776 4.347 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.209 7.002 -7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.339 5.380 -7.003 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.421 4.358 -2.288 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.355 3.212 -1.387 1.00 0.00 C ATOM 1037 C LEU A 70 -13.742 2.623 -1.152 1.00 0.00 C ATOM 1038 O LEU A 70 -14.748 3.190 -1.578 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.731 3.623 -0.052 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.203 3.597 0.010 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.715 4.110 1.356 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.682 2.191 -0.247 1.00 0.00 C ATOM 0 H LEU A 70 -12.160 5.246 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.731 2.450 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.068 4.631 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.118 2.964 0.725 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.816 4.254 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.626 4.084 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.057 5.135 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.112 3.479 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.593 2.192 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.078 1.512 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.001 1.860 -1.235 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.788 1.483 -0.471 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.052 0.818 -0.178 1.00 0.00 C ATOM 1056 C ARG A 71 -14.885 -0.195 0.950 1.00 0.00 C ATOM 1057 O ARG A 71 -13.786 -0.677 1.227 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.587 0.120 -1.430 1.00 0.00 C ATOM 1059 CG ARG A 71 -16.463 1.009 -2.297 1.00 0.00 C ATOM 1060 CD ARG A 71 -17.377 0.188 -3.192 1.00 0.00 C ATOM 1061 NE ARG A 71 -18.611 -0.195 -2.511 1.00 0.00 N ATOM 1062 CZ ARG A 71 -19.671 -0.696 -3.136 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -19.646 -0.875 -4.449 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -20.757 -1.020 -2.447 1.00 0.00 N ATOM 0 H ARG A 71 -12.964 1.000 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.767 1.576 0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.746 -0.237 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.160 -0.757 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.063 1.660 -1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.834 1.654 -2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.620 0.762 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.852 -0.708 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.662 -0.071 -1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.812 -0.628 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.461 -1.260 -4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.779 -0.885 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.570 -1.405 -2.928 1.00 0.00 H new ATOM 1078 N PRO A 72 -16.000 -0.526 1.619 1.00 0.00 N ATOM 1079 CA PRO A 72 -16.003 -1.484 2.728 1.00 0.00 C ATOM 1080 C PRO A 72 -15.742 -2.912 2.261 1.00 0.00 C ATOM 1081 O PRO A 72 -15.677 -3.837 3.070 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.417 -1.359 3.301 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.245 -0.871 2.163 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.343 0.010 1.343 1.00 0.00 C ATOM 0 HA PRO A 72 -15.215 -1.273 3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.780 -2.317 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.445 -0.662 4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.622 -1.704 1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.112 -0.316 2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.586 -0.043 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.427 1.056 1.638 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.593 -3.084 0.951 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.339 -4.400 0.378 1.00 0.00 C ATOM 1094 C GLN A 73 -13.884 -4.531 -0.063 1.00 0.00 C ATOM 1095 O GLN A 73 -13.274 -5.590 0.085 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.268 -4.649 -0.812 1.00 0.00 C ATOM 1097 CG GLN A 73 -17.741 -4.477 -0.479 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.309 -5.656 0.287 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.928 -5.488 1.338 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.099 -6.858 -0.236 1.00 0.00 N ATOM 0 H GLN A 73 -15.644 -2.329 0.267 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.535 -5.147 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.004 -3.965 -1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.104 -5.660 -1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.873 -3.569 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.305 -4.343 -1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -17.580 -6.951 -1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.456 -7.689 0.236 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.336 -3.449 -0.603 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.952 -3.442 -1.065 1.00 0.00 C ATOM 1111 C ASP A 74 -11.005 -3.865 0.054 1.00 0.00 C ATOM 1112 O ASP A 74 -10.055 -4.614 -0.174 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.569 -2.053 -1.577 1.00 0.00 C ATOM 1114 CG ASP A 74 -12.055 -1.803 -2.991 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -13.265 -1.981 -3.242 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -11.225 -1.429 -3.846 1.00 0.00 O ATOM 0 H ASP A 74 -13.828 -2.565 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.864 -4.158 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.987 -1.296 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.485 -1.943 -1.544 1.00 0.00 H new ATOM 1121 N SER A 75 -11.269 -3.378 1.262 1.00 0.00 N ATOM 1122 CA SER A 75 -10.437 -3.701 2.415 1.00 0.00 C ATOM 1123 C SER A 75 -9.965 -5.151 2.356 1.00 0.00 C ATOM 1124 O SER A 75 -10.764 -6.080 2.465 1.00 0.00 O ATOM 1125 CB SER A 75 -11.210 -3.458 3.713 1.00 0.00 C ATOM 1126 OG SER A 75 -12.478 -4.089 3.677 1.00 0.00 O ATOM 0 H SER A 75 -12.053 -2.758 1.468 1.00 0.00 H new ATOM 0 HA SER A 75 -9.562 -3.051 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.636 -3.837 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.338 -2.387 3.869 1.00 0.00 H new ATOM 0 HG SER A 75 -12.391 -4.974 3.266 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.660 -5.335 2.181 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.103 -6.673 2.110 1.00 0.00 C ATOM 1134 C GLY A 76 -6.736 -6.768 2.759 1.00 0.00 C ATOM 1135 O GLY A 76 -6.570 -6.414 3.926 1.00 0.00 O ATOM 0 H GLY A 76 -7.979 -4.582 2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.782 -7.372 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.028 -6.977 1.066 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.755 -7.248 2.001 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.397 -7.391 2.511 1.00 0.00 C ATOM 1141 C ARG A 77 -3.388 -6.762 1.554 1.00 0.00 C ATOM 1142 O ARG A 77 -3.134 -7.288 0.470 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.062 -8.869 2.723 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.724 -9.098 3.407 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.276 -10.546 3.284 1.00 0.00 C ATOM 1146 NE ARG A 77 -1.847 -10.873 1.927 1.00 0.00 N ATOM 1147 CZ ARG A 77 -1.243 -12.010 1.602 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -0.999 -12.924 2.530 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -0.882 -12.235 0.345 1.00 0.00 N ATOM 0 H ARG A 77 -5.876 -7.544 1.032 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.338 -6.871 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.849 -9.329 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.058 -9.374 1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.972 -8.445 2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.802 -8.828 4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.456 -10.732 3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.095 -11.205 3.574 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.021 -10.191 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.275 -12.755 3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.535 -13.796 2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.068 -11.534 -0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.418 -13.109 0.096 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.818 -5.634 1.962 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.840 -4.931 1.140 1.00 0.00 C ATOM 1165 C TYR A 78 -0.433 -5.467 1.390 1.00 0.00 C ATOM 1166 O TYR A 78 0.001 -5.593 2.534 1.00 0.00 O ATOM 1167 CB TYR A 78 -1.884 -3.430 1.429 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.160 -2.762 0.967 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.398 -3.187 1.432 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.126 -1.704 0.066 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.566 -2.580 1.012 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -4.289 -1.090 -0.358 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.506 -1.532 0.117 1.00 0.00 C ATOM 1174 OH TYR A 78 -6.667 -0.924 -0.303 1.00 0.00 O ATOM 0 H TYR A 78 -3.016 -5.187 2.857 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.094 -5.100 0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.768 -3.271 2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.035 -2.950 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.448 -4.006 2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.175 -1.356 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.520 -2.924 1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.245 -0.268 -1.058 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.450 -0.204 -0.931 1.00 0.00 H new ATOM 1184 N SER A 79 0.274 -5.781 0.308 1.00 0.00 N ATOM 1185 CA SER A 79 1.630 -6.306 0.408 1.00 0.00 C ATOM 1186 C SER A 79 2.508 -5.759 -0.713 1.00 0.00 C ATOM 1187 O SER A 79 2.010 -5.344 -1.760 1.00 0.00 O ATOM 1188 CB SER A 79 1.613 -7.835 0.358 1.00 0.00 C ATOM 1189 OG SER A 79 0.772 -8.369 1.366 1.00 0.00 O ATOM 0 H SER A 79 -0.070 -5.681 -0.647 1.00 0.00 H new ATOM 0 HA SER A 79 2.048 -5.986 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.267 -8.166 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.626 -8.217 0.485 1.00 0.00 H new ATOM 0 HG SER A 79 0.777 -9.347 1.312 1.00 0.00 H new ATOM 1195 N CYS A 80 3.817 -5.762 -0.485 1.00 0.00 N ATOM 1196 CA CYS A 80 4.767 -5.265 -1.475 1.00 0.00 C ATOM 1197 C CYS A 80 6.024 -6.128 -1.503 1.00 0.00 C ATOM 1198 O CYS A 80 6.619 -6.409 -0.463 1.00 0.00 O ATOM 1199 CB CYS A 80 5.137 -3.812 -1.173 1.00 0.00 C ATOM 1200 SG CYS A 80 6.557 -3.202 -2.111 1.00 0.00 S ATOM 0 H CYS A 80 4.245 -6.103 0.376 1.00 0.00 H new ATOM 0 HA CYS A 80 4.292 -5.315 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.276 -3.178 -1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.350 -3.716 -0.108 1.00 0.00 H new ATOM 0 HG CYS A 80 6.340 -3.365 -3.382 1.00 0.00 H new ATOM 1206 N SER A 81 6.422 -6.546 -2.700 1.00 0.00 N ATOM 1207 CA SER A 81 7.606 -7.382 -2.864 1.00 0.00 C ATOM 1208 C SER A 81 8.855 -6.525 -3.041 1.00 0.00 C ATOM 1209 O SER A 81 9.061 -5.916 -4.091 1.00 0.00 O ATOM 1210 CB SER A 81 7.437 -8.313 -4.066 1.00 0.00 C ATOM 1211 OG SER A 81 6.299 -9.143 -3.912 1.00 0.00 O ATOM 0 H SER A 81 5.942 -6.320 -3.571 1.00 0.00 H new ATOM 0 HA SER A 81 7.724 -7.983 -1.963 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.339 -7.722 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.328 -8.930 -4.180 1.00 0.00 H new ATOM 0 HG SER A 81 6.212 -9.727 -4.694 1.00 0.00 H new ATOM 1217 N PHE A 82 9.687 -6.482 -2.006 1.00 0.00 N ATOM 1218 CA PHE A 82 10.917 -5.699 -2.045 1.00 0.00 C ATOM 1219 C PHE A 82 12.092 -6.503 -1.495 1.00 0.00 C ATOM 1220 O PHE A 82 12.316 -6.546 -0.286 1.00 0.00 O ATOM 1221 CB PHE A 82 10.750 -4.406 -1.245 1.00 0.00 C ATOM 1222 CG PHE A 82 11.896 -3.449 -1.404 1.00 0.00 C ATOM 1223 CD1 PHE A 82 13.000 -3.524 -0.570 1.00 0.00 C ATOM 1224 CD2 PHE A 82 11.871 -2.475 -2.389 1.00 0.00 C ATOM 1225 CE1 PHE A 82 14.056 -2.645 -0.714 1.00 0.00 C ATOM 1226 CE2 PHE A 82 12.924 -1.592 -2.538 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.018 -1.678 -1.700 1.00 0.00 C ATOM 0 H PHE A 82 9.532 -6.980 -1.130 1.00 0.00 H new ATOM 0 HA PHE A 82 11.126 -5.449 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.829 -3.912 -1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.638 -4.654 -0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.035 -4.279 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.019 -2.405 -3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.910 -2.714 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.891 -0.836 -3.309 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.843 -0.990 -1.815 1.00 0.00 H new ATOM 1237 N GLY A 83 12.838 -7.140 -2.392 1.00 0.00 N ATOM 1238 CA GLY A 83 13.979 -7.934 -1.978 1.00 0.00 C ATOM 1239 C GLY A 83 13.592 -9.348 -1.591 1.00 0.00 C ATOM 1240 O GLY A 83 12.732 -9.959 -2.225 1.00 0.00 O ATOM 0 H GLY A 83 12.672 -7.120 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.707 -7.969 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.467 -7.450 -1.132 1.00 0.00 H new ATOM 1244 N ASP A 84 14.230 -9.870 -0.549 1.00 0.00 N ATOM 1245 CA ASP A 84 13.948 -11.221 -0.079 1.00 0.00 C ATOM 1246 C ASP A 84 12.764 -11.226 0.884 1.00 0.00 C ATOM 1247 O ASP A 84 11.927 -12.126 0.848 1.00 0.00 O ATOM 1248 CB ASP A 84 15.180 -11.813 0.607 1.00 0.00 C ATOM 1249 CG ASP A 84 14.845 -13.021 1.459 1.00 0.00 C ATOM 1250 OD1 ASP A 84 14.566 -14.094 0.885 1.00 0.00 O ATOM 1251 OD2 ASP A 84 14.861 -12.893 2.701 1.00 0.00 O ATOM 0 H ASP A 84 14.946 -9.378 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 84 13.693 -11.834 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.912 -12.097 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.646 -11.050 1.231 1.00 0.00 H new ATOM 1256 N GLN A 85 12.703 -10.214 1.744 1.00 0.00 N ATOM 1257 CA GLN A 85 11.623 -10.103 2.717 1.00 0.00 C ATOM 1258 C GLN A 85 10.441 -9.337 2.133 1.00 0.00 C ATOM 1259 O GLN A 85 10.617 -8.333 1.442 1.00 0.00 O ATOM 1260 CB GLN A 85 12.121 -9.407 3.985 1.00 0.00 C ATOM 1261 CG GLN A 85 12.965 -10.301 4.878 1.00 0.00 C ATOM 1262 CD GLN A 85 12.134 -11.299 5.659 1.00 0.00 C ATOM 1263 OE1 GLN A 85 11.697 -12.317 5.120 1.00 0.00 O ATOM 1264 NE2 GLN A 85 11.910 -11.013 6.936 1.00 0.00 N ATOM 0 H GLN A 85 13.388 -9.460 1.786 1.00 0.00 H new ATOM 0 HA GLN A 85 11.290 -11.110 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.707 -8.532 3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.263 -9.047 4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.690 -10.838 4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.531 -9.682 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.291 -10.158 7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.357 -11.648 7.511 1.00 0.00 H new ATOM 1273 N THR A 86 9.234 -9.818 2.414 1.00 0.00 N ATOM 1274 CA THR A 86 8.022 -9.180 1.915 1.00 0.00 C ATOM 1275 C THR A 86 7.153 -8.677 3.062 1.00 0.00 C ATOM 1276 O THR A 86 6.900 -9.399 4.027 1.00 0.00 O ATOM 1277 CB THR A 86 7.195 -10.147 1.046 1.00 0.00 C ATOM 1278 OG1 THR A 86 8.037 -10.771 0.071 1.00 0.00 O ATOM 1279 CG2 THR A 86 6.060 -9.412 0.349 1.00 0.00 C ATOM 0 H THR A 86 9.070 -10.647 2.985 1.00 0.00 H new ATOM 0 HA THR A 86 8.339 -8.334 1.305 1.00 0.00 H new ATOM 0 HB THR A 86 6.767 -10.910 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.504 -11.385 -0.476 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.490 -10.115 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.405 -8.963 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.471 -8.630 -0.290 1.00 0.00 H new ATOM 1287 N THR A 87 6.698 -7.433 2.952 1.00 0.00 N ATOM 1288 CA THR A 87 5.858 -6.832 3.981 1.00 0.00 C ATOM 1289 C THR A 87 4.381 -7.083 3.700 1.00 0.00 C ATOM 1290 O THR A 87 3.991 -7.344 2.562 1.00 0.00 O ATOM 1291 CB THR A 87 6.098 -5.314 4.087 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.440 -4.794 5.247 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.591 -4.598 2.845 1.00 0.00 C ATOM 0 H THR A 87 6.897 -6.822 2.160 1.00 0.00 H new ATOM 0 HA THR A 87 6.131 -7.302 4.926 1.00 0.00 H new ATOM 0 HB THR A 87 7.171 -5.143 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.514 -5.439 5.981 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.771 -3.528 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.116 -4.976 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.522 -4.777 2.733 1.00 0.00 H new ATOM 1301 N SER A 88 3.563 -7.002 4.744 1.00 0.00 N ATOM 1302 CA SER A 88 2.128 -7.223 4.610 1.00 0.00 C ATOM 1303 C SER A 88 1.359 -6.481 5.699 1.00 0.00 C ATOM 1304 O SER A 88 1.631 -6.646 6.888 1.00 0.00 O ATOM 1305 CB SER A 88 1.812 -8.718 4.676 1.00 0.00 C ATOM 1306 OG SER A 88 2.089 -9.241 5.963 1.00 0.00 O ATOM 0 H SER A 88 3.869 -6.785 5.692 1.00 0.00 H new ATOM 0 HA SER A 88 1.816 -6.835 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.763 -8.882 4.431 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.401 -9.251 3.929 1.00 0.00 H new ATOM 0 HG SER A 88 2.158 -8.506 6.607 1.00 0.00 H new ATOM 1312 N ALA A 89 0.398 -5.663 5.283 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.412 -4.897 6.223 1.00 0.00 C ATOM 1314 C ALA A 89 -1.899 -5.051 5.919 1.00 0.00 C ATOM 1315 O ALA A 89 -2.280 -5.690 4.937 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.014 -3.429 6.187 1.00 0.00 C ATOM 0 H ALA A 89 0.161 -5.514 4.302 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.230 -5.288 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.626 -2.869 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.037 -3.330 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.167 -3.035 5.182 1.00 0.00 H new ATOM 1322 N THR A 90 -2.736 -4.463 6.768 1.00 0.00 N ATOM 1323 CA THR A 90 -4.180 -4.537 6.591 1.00 0.00 C ATOM 1324 C THR A 90 -4.829 -3.172 6.790 1.00 0.00 C ATOM 1325 O THR A 90 -4.384 -2.376 7.618 1.00 0.00 O ATOM 1326 CB THR A 90 -4.815 -5.542 7.571 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.186 -6.821 7.436 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.309 -5.676 7.315 1.00 0.00 C ATOM 0 H THR A 90 -2.438 -3.930 7.585 1.00 0.00 H new ATOM 0 HA THR A 90 -4.356 -4.875 5.570 1.00 0.00 H new ATOM 0 HB THR A 90 -4.668 -5.171 8.585 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.594 -7.454 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.736 -6.391 8.019 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.789 -4.706 7.446 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.474 -6.027 6.296 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.884 -2.906 6.027 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.595 -1.636 6.120 1.00 0.00 C ATOM 1338 C LEU A 91 -8.067 -1.860 6.456 1.00 0.00 C ATOM 1339 O LEU A 91 -8.707 -2.765 5.920 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.472 -0.862 4.807 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.443 0.304 4.621 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.957 1.530 5.378 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.617 0.623 3.143 1.00 0.00 C ATOM 0 H LEU A 91 -6.266 -3.553 5.337 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.143 -1.052 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.455 -0.478 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.613 -1.561 3.982 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.412 0.012 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.661 2.350 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.885 1.297 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.976 1.824 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.312 1.455 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.653 0.894 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.012 -0.252 2.626 1.00 0.00 H new ATOM 1355 N THR A 92 -8.599 -1.026 7.344 1.00 0.00 N ATOM 1356 CA THR A 92 -9.995 -1.132 7.750 1.00 0.00 C ATOM 1357 C THR A 92 -10.827 -0.002 7.155 1.00 0.00 C ATOM 1358 O THR A 92 -10.496 1.174 7.307 1.00 0.00 O ATOM 1359 CB THR A 92 -10.137 -1.106 9.284 1.00 0.00 C ATOM 1360 OG1 THR A 92 -9.322 -2.127 9.869 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.587 -1.308 9.696 1.00 0.00 C ATOM 0 H THR A 92 -8.084 -0.270 7.796 1.00 0.00 H new ATOM 0 HA THR A 92 -10.362 -2.087 7.375 1.00 0.00 H new ATOM 0 HB THR A 92 -9.807 -0.130 9.641 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.417 -2.102 10.844 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.663 -1.286 10.783 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.200 -0.512 9.273 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.939 -2.271 9.327 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.911 -0.366 6.476 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.792 0.617 5.858 1.00 0.00 C ATOM 1371 C VAL A 93 -14.170 0.607 6.512 1.00 0.00 C ATOM 1372 O VAL A 93 -14.879 -0.398 6.477 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.951 0.359 4.348 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.836 1.421 3.715 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.590 0.313 3.670 1.00 0.00 C ATOM 0 H VAL A 93 -12.200 -1.335 6.340 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.329 1.593 6.005 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.433 -0.609 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.937 1.222 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.820 1.400 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.386 2.403 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.721 0.130 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.079 1.265 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.994 -0.489 4.105 1.00 0.00 H new ATOM 1385 N THR A 94 -14.543 1.735 7.109 1.00 0.00 N ATOM 1386 CA THR A 94 -15.835 1.857 7.772 1.00 0.00 C ATOM 1387 C THR A 94 -16.907 2.344 6.803 1.00 0.00 C ATOM 1388 O THR A 94 -16.624 3.117 5.888 1.00 0.00 O ATOM 1389 CB THR A 94 -15.764 2.825 8.969 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.779 2.373 9.905 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.115 2.933 9.658 1.00 0.00 C ATOM 0 H THR A 94 -13.968 2.577 7.147 1.00 0.00 H new ATOM 0 HA THR A 94 -16.099 0.863 8.133 1.00 0.00 H new ATOM 0 HB THR A 94 -15.485 3.811 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.738 2.994 10.662 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.040 3.622 10.500 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.856 3.304 8.950 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.419 1.950 10.019 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.137 1.886 7.010 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.251 2.278 6.156 1.00 0.00 C ATOM 1401 C ALA A 95 -19.907 3.559 6.661 1.00 0.00 C ATOM 1402 O ALA A 95 -20.511 3.578 7.734 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.275 1.155 6.076 1.00 0.00 C ATOM 0 H ALA A 95 -18.387 1.243 7.762 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.860 2.471 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -21.102 1.461 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.805 0.263 5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.653 0.935 7.075 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.783 4.628 5.882 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.363 5.914 6.251 1.00 0.00 C ATOM 1411 C LEU A 96 -21.834 5.761 6.623 1.00 0.00 C ATOM 1412 O LEU A 96 -22.564 4.950 6.053 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.218 6.911 5.100 1.00 0.00 C ATOM 1414 CG LEU A 96 -21.379 6.963 4.106 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.552 7.731 4.696 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -20.932 7.593 2.795 1.00 0.00 C ATOM 0 H LEU A 96 -19.286 4.629 4.991 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.824 6.291 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.083 7.907 5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.307 6.672 4.551 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.704 5.943 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.369 7.758 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.889 7.237 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -22.240 8.749 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -21.771 7.621 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.580 8.608 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -20.124 7.002 2.364 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.283 6.561 7.603 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.672 6.535 8.071 1.00 0.00 C ATOM 1430 C PRO A 97 -24.644 7.093 7.037 1.00 0.00 C ATOM 1431 O PRO A 97 -24.732 8.306 6.846 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.644 7.427 9.315 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.490 8.345 9.096 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.470 7.551 8.328 1.00 0.00 C ATOM 0 HA PRO A 97 -24.017 5.519 8.265 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.576 7.982 9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.514 6.837 10.222 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -22.796 9.230 8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.081 8.691 10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.901 8.182 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.751 7.071 8.992 1.00 0.00 H new