USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 338 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HE2:sc= -3.19! C(o=-4.1!,f=-4.5!) USER MOD Set 1.2: A 47 CYS SG : rot -10:sc= -0.921 USER MOD Single : A 8 GLN : amide:sc= -0.533 K(o=-0.53,f=-3.6!) USER MOD Single : A 11 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 70:sc= 1.19 USER MOD Single : A 30 SER OG : rot 75:sc= 1.14 USER MOD Single : A 35 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0083 X(o=-0.0083,f=0) USER MOD Single : A 40 SER OG : rot 41:sc= 0.622 USER MOD Single : A 46 ASN : amide:sc= -7.12! C(o=-7.1!,f=-13!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -106:sc= -6.17! (180deg=-7.85!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 16.919 3.304 3.563 1.00 0.00 N ATOM 86 CA VAL A 6 15.818 3.585 4.469 1.00 0.00 C ATOM 87 C VAL A 6 15.559 2.357 5.344 1.00 0.00 C ATOM 88 O VAL A 6 15.402 2.478 6.558 1.00 0.00 O ATOM 89 CB VAL A 6 14.586 4.024 3.675 1.00 0.00 C ATOM 90 CG1 VAL A 6 14.143 2.931 2.701 1.00 0.00 C ATOM 91 CG2 VAL A 6 13.443 4.420 4.611 1.00 0.00 C ATOM 0 HA VAL A 6 16.071 4.411 5.134 1.00 0.00 H new ATOM 0 HB VAL A 6 14.860 4.902 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.266 3.269 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.951 2.718 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.896 2.027 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.580 4.728 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.171 3.568 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.762 5.247 5.246 1.00 0.00 H new ATOM 101 N ILE A 7 15.521 1.204 4.694 1.00 0.00 N ATOM 102 CA ILE A 7 15.282 -0.046 5.398 1.00 0.00 C ATOM 103 C ILE A 7 16.543 -0.440 6.168 1.00 0.00 C ATOM 104 O ILE A 7 16.468 -1.159 7.164 1.00 0.00 O ATOM 105 CB ILE A 7 14.792 -1.122 4.428 1.00 0.00 C ATOM 106 CG1 ILE A 7 15.682 -1.187 3.185 1.00 0.00 C ATOM 107 CG2 ILE A 7 13.320 -0.908 4.068 1.00 0.00 C ATOM 108 CD1 ILE A 7 15.711 -2.602 2.604 1.00 0.00 C ATOM 0 H ILE A 7 15.652 1.108 3.687 1.00 0.00 H new ATOM 0 HA ILE A 7 14.485 0.075 6.131 1.00 0.00 H new ATOM 0 HB ILE A 7 14.864 -2.089 4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.314 -0.489 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.694 -0.875 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.997 -1.687 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.714 -0.952 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 7 13.199 0.068 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.351 -2.620 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 7 16.102 -3.294 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 7 14.701 -2.902 2.326 1.00 0.00 H new ATOM 119 N GLN A 8 17.674 0.047 5.678 1.00 0.00 N ATOM 120 CA GLN A 8 18.950 -0.245 6.308 1.00 0.00 C ATOM 121 C GLN A 8 19.022 0.407 7.690 1.00 0.00 C ATOM 122 O GLN A 8 19.643 -0.134 8.605 1.00 0.00 O ATOM 123 CB GLN A 8 20.115 0.209 5.427 1.00 0.00 C ATOM 124 CG GLN A 8 21.051 -0.958 5.109 1.00 0.00 C ATOM 125 CD GLN A 8 22.513 -0.558 5.306 1.00 0.00 C ATOM 126 OE1 GLN A 8 23.073 -0.663 6.385 1.00 0.00 O ATOM 127 NE2 GLN A 8 23.101 -0.094 4.207 1.00 0.00 N ATOM 0 H GLN A 8 17.733 0.642 4.852 1.00 0.00 H new ATOM 0 HA GLN A 8 19.031 -1.325 6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.730 0.634 4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 8 20.671 0.998 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.813 -1.805 5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.895 -1.284 4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.576 -0.032 3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.077 0.199 4.236 1.00 0.00 H new ATOM 134 N ALA A 9 18.377 1.559 7.800 1.00 0.00 N ATOM 135 CA ALA A 9 18.359 2.291 9.056 1.00 0.00 C ATOM 136 C ALA A 9 17.232 1.753 9.939 1.00 0.00 C ATOM 137 O ALA A 9 17.435 1.502 11.126 1.00 0.00 O ATOM 138 CB ALA A 9 18.215 3.787 8.772 1.00 0.00 C ATOM 0 H ALA A 9 17.863 2.004 7.040 1.00 0.00 H new ATOM 0 HA ALA A 9 19.295 2.151 9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.201 4.336 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.056 4.125 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.285 3.967 8.233 1.00 0.00 H new ATOM 144 N ILE A 10 16.069 1.592 9.326 1.00 0.00 N ATOM 145 CA ILE A 10 14.908 1.089 10.041 1.00 0.00 C ATOM 146 C ILE A 10 15.283 -0.209 10.762 1.00 0.00 C ATOM 147 O ILE A 10 14.930 -0.401 11.924 1.00 0.00 O ATOM 148 CB ILE A 10 13.716 0.944 9.095 1.00 0.00 C ATOM 149 CG1 ILE A 10 13.236 2.313 8.604 1.00 0.00 C ATOM 150 CG2 ILE A 10 12.589 0.143 9.750 1.00 0.00 C ATOM 151 CD1 ILE A 10 12.273 2.165 7.425 1.00 0.00 C ATOM 0 H ILE A 10 15.905 1.801 8.341 1.00 0.00 H new ATOM 0 HA ILE A 10 14.593 1.800 10.804 1.00 0.00 H new ATOM 0 HB ILE A 10 14.042 0.383 8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.741 2.842 9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.093 2.917 8.305 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.754 0.055 9.055 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.952 -0.852 10.008 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.257 0.654 10.654 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.947 3.152 7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.779 1.657 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.406 1.581 7.734 1.00 0.00 H new ATOM 162 N GLN A 11 15.992 -1.065 10.041 1.00 0.00 N ATOM 163 CA GLN A 11 16.417 -2.338 10.596 1.00 0.00 C ATOM 164 C GLN A 11 17.371 -2.113 11.771 1.00 0.00 C ATOM 165 O GLN A 11 17.472 -2.953 12.663 1.00 0.00 O ATOM 166 CB GLN A 11 17.066 -3.215 9.524 1.00 0.00 C ATOM 167 CG GLN A 11 18.388 -2.611 9.048 1.00 0.00 C ATOM 168 CD GLN A 11 19.235 -3.654 8.314 1.00 0.00 C ATOM 169 OE1 GLN A 11 19.364 -3.644 7.101 1.00 0.00 O ATOM 170 NE2 GLN A 11 19.803 -4.551 9.115 1.00 0.00 N ATOM 0 H GLN A 11 16.283 -0.902 9.077 1.00 0.00 H new ATOM 0 HA GLN A 11 15.536 -2.863 10.964 1.00 0.00 H new ATOM 0 HB2 GLN A 11 17.241 -4.214 9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 11 16.387 -3.325 8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 11 18.189 -1.768 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 11 18.943 -2.222 9.902 1.00 0.00 H new ATOM 0 HE21 GLN A 11 19.654 -4.502 10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 11 20.388 -5.288 8.722 1.00 0.00 H new ATOM 177 N LYS A 12 18.046 -0.974 11.733 1.00 0.00 N ATOM 178 CA LYS A 12 18.989 -0.627 12.783 1.00 0.00 C ATOM 179 C LYS A 12 18.228 -0.025 13.966 1.00 0.00 C ATOM 180 O LYS A 12 18.214 -0.595 15.055 1.00 0.00 O ATOM 181 CB LYS A 12 20.092 0.280 12.235 1.00 0.00 C ATOM 182 CG LYS A 12 21.194 -0.541 11.562 1.00 0.00 C ATOM 183 CD LYS A 12 21.903 0.275 10.480 1.00 0.00 C ATOM 184 CE LYS A 12 22.722 -0.630 9.558 1.00 0.00 C ATOM 185 NZ LYS A 12 24.119 -0.150 9.466 1.00 0.00 N ATOM 0 H LYS A 12 17.959 -0.279 10.991 1.00 0.00 H new ATOM 0 HA LYS A 12 19.496 -1.519 13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.667 0.982 11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.518 0.871 13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.918 -0.867 12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.764 -1.440 11.121 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.167 0.826 9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 12 22.557 1.013 10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 12 22.707 -1.652 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 12 22.272 -0.650 8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.660 -0.776 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.129 0.818 9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 24.550 -0.154 10.412 1.00 0.00 H new ATOM 195 N SER A 13 17.615 1.122 13.712 1.00 0.00 N ATOM 196 CA SER A 13 16.854 1.809 14.743 1.00 0.00 C ATOM 197 C SER A 13 15.953 0.814 15.478 1.00 0.00 C ATOM 198 O SER A 13 15.589 1.036 16.631 1.00 0.00 O ATOM 199 CB SER A 13 16.018 2.942 14.146 1.00 0.00 C ATOM 200 OG SER A 13 16.820 4.063 13.784 1.00 0.00 O ATOM 0 H SER A 13 17.630 1.593 12.807 1.00 0.00 H new ATOM 0 HA SER A 13 17.556 2.247 15.453 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.487 2.577 13.267 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.263 3.254 14.867 1.00 0.00 H new ATOM 0 HG SER A 13 16.250 4.764 13.405 1.00 0.00 H new ATOM 205 N ASP A 14 15.619 -0.261 14.779 1.00 0.00 N ATOM 206 CA ASP A 14 14.767 -1.290 15.350 1.00 0.00 C ATOM 207 C ASP A 14 15.475 -1.923 16.551 1.00 0.00 C ATOM 208 O ASP A 14 14.846 -2.198 17.571 1.00 0.00 O ATOM 209 CB ASP A 14 14.481 -2.396 14.333 1.00 0.00 C ATOM 210 CG ASP A 14 13.298 -3.303 14.679 1.00 0.00 C ATOM 211 OD1 ASP A 14 12.622 -2.996 15.684 1.00 0.00 O ATOM 212 OD2 ASP A 14 13.096 -4.283 13.929 1.00 0.00 O ATOM 0 H ASP A 14 15.923 -0.442 13.822 1.00 0.00 H new ATOM 0 HA ASP A 14 13.828 -0.823 15.648 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.295 -1.937 13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.374 -3.013 14.229 1.00 0.00 H new ATOM 216 N GLU A 15 16.772 -2.135 16.387 1.00 0.00 N ATOM 217 CA GLU A 15 17.572 -2.731 17.445 1.00 0.00 C ATOM 218 C GLU A 15 18.337 -1.646 18.206 1.00 0.00 C ATOM 219 O GLU A 15 18.635 -1.806 19.389 1.00 0.00 O ATOM 220 CB GLU A 15 18.528 -3.784 16.882 1.00 0.00 C ATOM 221 CG GLU A 15 17.757 -4.982 16.325 1.00 0.00 C ATOM 222 CD GLU A 15 18.371 -5.465 15.010 1.00 0.00 C ATOM 223 OE1 GLU A 15 19.425 -6.131 15.085 1.00 0.00 O ATOM 224 OE2 GLU A 15 17.771 -5.157 13.957 1.00 0.00 O ATOM 0 H GLU A 15 17.289 -1.905 15.538 1.00 0.00 H new ATOM 0 HA GLU A 15 16.902 -3.233 18.143 1.00 0.00 H new ATOM 0 HB2 GLU A 15 19.139 -3.342 16.095 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.209 -4.117 17.665 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.763 -5.793 17.053 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.715 -4.706 16.164 1.00 0.00 H new ATOM 304 N ALA A 21 10.578 1.127 20.367 1.00 0.00 N ATOM 305 CA ALA A 21 9.739 -0.015 20.690 1.00 0.00 C ATOM 306 C ALA A 21 8.475 0.472 21.403 1.00 0.00 C ATOM 307 O ALA A 21 7.457 -0.219 21.410 1.00 0.00 O ATOM 308 CB ALA A 21 10.536 -1.012 21.533 1.00 0.00 C ATOM 0 HA ALA A 21 9.428 -0.532 19.782 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.907 -1.868 21.775 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.407 -1.349 20.971 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.863 -0.530 22.454 1.00 0.00 H new ATOM 314 N TYR A 22 8.582 1.657 21.985 1.00 0.00 N ATOM 315 CA TYR A 22 7.460 2.244 22.700 1.00 0.00 C ATOM 316 C TYR A 22 6.392 2.744 21.725 1.00 0.00 C ATOM 317 O TYR A 22 5.207 2.762 22.055 1.00 0.00 O ATOM 318 CB TYR A 22 8.030 3.437 23.471 1.00 0.00 C ATOM 319 CG TYR A 22 7.235 3.802 24.726 1.00 0.00 C ATOM 320 CD1 TYR A 22 7.088 2.880 25.742 1.00 0.00 C ATOM 321 CD2 TYR A 22 6.666 5.053 24.843 1.00 0.00 C ATOM 322 CE1 TYR A 22 6.340 3.223 26.924 1.00 0.00 C ATOM 323 CE2 TYR A 22 5.919 5.397 26.025 1.00 0.00 C ATOM 324 CZ TYR A 22 5.793 4.466 27.007 1.00 0.00 C ATOM 325 OH TYR A 22 5.087 4.790 28.123 1.00 0.00 O ATOM 0 H TYR A 22 9.428 2.227 21.977 1.00 0.00 H new ATOM 0 HA TYR A 22 6.993 1.508 23.355 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.058 3.215 23.756 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.063 4.302 22.809 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.534 1.901 25.651 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.781 5.775 24.048 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.216 2.510 27.726 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.469 6.373 26.129 1.00 0.00 H new ATOM 0 HH TYR A 22 4.756 5.709 28.045 1.00 0.00 H new ATOM 334 N LEU A 23 6.849 3.138 20.547 1.00 0.00 N ATOM 335 CA LEU A 23 5.948 3.637 19.523 1.00 0.00 C ATOM 336 C LEU A 23 5.291 2.455 18.806 1.00 0.00 C ATOM 337 O LEU A 23 4.066 2.374 18.729 1.00 0.00 O ATOM 338 CB LEU A 23 6.682 4.595 18.582 1.00 0.00 C ATOM 339 CG LEU A 23 6.006 5.945 18.338 1.00 0.00 C ATOM 340 CD1 LEU A 23 4.598 5.759 17.771 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.003 6.794 19.612 1.00 0.00 C ATOM 0 H LEU A 23 7.833 3.122 20.278 1.00 0.00 H new ATOM 0 HA LEU A 23 5.147 4.222 19.975 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.678 4.778 18.986 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.814 4.098 17.621 1.00 0.00 H new ATOM 0 HG LEU A 23 6.585 6.487 17.590 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.140 6.734 17.607 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.655 5.221 16.825 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.994 5.189 18.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.517 7.749 19.412 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.461 6.268 20.398 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.029 6.970 19.934 1.00 0.00 H new ATOM 352 N GLU A 24 6.136 1.568 18.302 1.00 0.00 N ATOM 353 CA GLU A 24 5.652 0.393 17.595 1.00 0.00 C ATOM 354 C GLU A 24 4.723 -0.423 18.494 1.00 0.00 C ATOM 355 O GLU A 24 3.837 -1.123 18.005 1.00 0.00 O ATOM 356 CB GLU A 24 6.818 -0.461 17.092 1.00 0.00 C ATOM 357 CG GLU A 24 6.633 -0.827 15.618 1.00 0.00 C ATOM 358 CD GLU A 24 5.842 -2.128 15.471 1.00 0.00 C ATOM 359 OE1 GLU A 24 6.497 -3.193 15.452 1.00 0.00 O ATOM 360 OE2 GLU A 24 4.599 -2.029 15.381 1.00 0.00 O ATOM 0 H GLU A 24 7.151 1.638 18.369 1.00 0.00 H new ATOM 0 HA GLU A 24 5.084 0.724 16.726 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.754 0.083 17.221 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.892 -1.370 17.690 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.112 -0.020 15.102 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.607 -0.934 15.141 1.00 0.00 H new ATOM 365 N SER A 25 4.955 -0.306 19.793 1.00 0.00 N ATOM 366 CA SER A 25 4.149 -1.024 20.766 1.00 0.00 C ATOM 367 C SER A 25 2.692 -0.569 20.676 1.00 0.00 C ATOM 368 O SER A 25 1.785 -1.393 20.574 1.00 0.00 O ATOM 369 CB SER A 25 4.683 -0.817 22.185 1.00 0.00 C ATOM 370 OG SER A 25 5.713 -1.747 22.508 1.00 0.00 O ATOM 0 H SER A 25 5.690 0.276 20.195 1.00 0.00 H new ATOM 0 HA SER A 25 4.206 -2.088 20.538 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.067 0.198 22.283 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.865 -0.919 22.899 1.00 0.00 H new ATOM 0 HG SER A 25 6.517 -1.538 21.989 1.00 0.00 H new ATOM 375 N GLU A 26 2.511 0.743 20.717 1.00 0.00 N ATOM 376 CA GLU A 26 1.179 1.319 20.641 1.00 0.00 C ATOM 377 C GLU A 26 0.469 0.847 19.371 1.00 0.00 C ATOM 378 O GLU A 26 -0.760 0.841 19.308 1.00 0.00 O ATOM 379 CB GLU A 26 1.237 2.847 20.702 1.00 0.00 C ATOM 380 CG GLU A 26 -0.164 3.453 20.602 1.00 0.00 C ATOM 381 CD GLU A 26 -0.329 4.238 19.300 1.00 0.00 C ATOM 382 OE1 GLU A 26 0.691 4.794 18.837 1.00 0.00 O ATOM 383 OE2 GLU A 26 -1.473 4.265 18.795 1.00 0.00 O ATOM 0 H GLU A 26 3.265 1.424 20.802 1.00 0.00 H new ATOM 0 HA GLU A 26 0.606 0.976 21.503 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.707 3.160 21.635 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.859 3.224 19.890 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.911 2.661 20.651 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.341 4.111 21.453 1.00 0.00 H new ATOM 388 N VAL A 27 1.272 0.464 18.389 1.00 0.00 N ATOM 389 CA VAL A 27 0.736 -0.009 17.125 1.00 0.00 C ATOM 390 C VAL A 27 0.328 -1.476 17.265 1.00 0.00 C ATOM 391 O VAL A 27 -0.713 -1.886 16.753 1.00 0.00 O ATOM 392 CB VAL A 27 1.753 0.225 16.005 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.360 -0.540 14.739 1.00 0.00 C ATOM 394 CG2 VAL A 27 1.915 1.719 15.716 1.00 0.00 C ATOM 0 H VAL A 27 2.290 0.472 18.444 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.159 0.552 16.856 1.00 0.00 H new ATOM 0 HB VAL A 27 2.717 -0.158 16.341 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.099 -0.357 13.959 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.319 -1.607 14.957 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.381 -0.202 14.399 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.643 1.858 14.917 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.956 2.137 15.410 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.262 2.228 16.615 1.00 0.00 H new ATOM 404 N ALA A 28 1.169 -2.228 17.960 1.00 0.00 N ATOM 405 CA ALA A 28 0.909 -3.641 18.173 1.00 0.00 C ATOM 406 C ALA A 28 -0.215 -3.799 19.198 1.00 0.00 C ATOM 407 O ALA A 28 -0.901 -4.821 19.222 1.00 0.00 O ATOM 408 CB ALA A 28 2.199 -4.337 18.610 1.00 0.00 C ATOM 0 H ALA A 28 2.031 -1.885 18.383 1.00 0.00 H new ATOM 0 HA ALA A 28 0.580 -4.115 17.248 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.004 -5.397 18.770 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.956 -4.220 17.835 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.557 -3.890 19.537 1.00 0.00 H new ATOM 414 N ILE A 29 -0.371 -2.772 20.022 1.00 0.00 N ATOM 415 CA ILE A 29 -1.400 -2.785 21.047 1.00 0.00 C ATOM 416 C ILE A 29 -2.760 -2.509 20.402 1.00 0.00 C ATOM 417 O ILE A 29 -3.787 -2.989 20.878 1.00 0.00 O ATOM 418 CB ILE A 29 -1.046 -1.813 22.174 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.283 -2.452 23.544 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.803 -0.492 22.019 1.00 0.00 C ATOM 421 CD1 ILE A 29 -2.770 -2.445 23.902 1.00 0.00 C ATOM 0 H ILE A 29 0.198 -1.926 20.000 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.461 -3.769 21.513 1.00 0.00 H new ATOM 0 HB ILE A 29 0.017 -1.584 22.105 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.911 -3.477 23.541 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.720 -1.911 24.304 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.532 0.180 22.833 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.541 -0.032 21.066 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.876 -0.682 22.047 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.911 -2.905 24.880 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.133 -1.418 23.928 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.327 -3.008 23.153 1.00 0.00 H new ATOM 432 N SER A 30 -2.723 -1.734 19.327 1.00 0.00 N ATOM 433 CA SER A 30 -3.939 -1.388 18.611 1.00 0.00 C ATOM 434 C SER A 30 -4.545 -2.640 17.973 1.00 0.00 C ATOM 435 O SER A 30 -5.765 -2.770 17.891 1.00 0.00 O ATOM 436 CB SER A 30 -3.666 -0.326 17.544 1.00 0.00 C ATOM 437 OG SER A 30 -2.913 0.768 18.059 1.00 0.00 O ATOM 0 H SER A 30 -1.870 -1.336 18.935 1.00 0.00 H new ATOM 0 HA SER A 30 -4.650 -0.972 19.325 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.126 -0.778 16.713 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.613 0.041 17.147 1.00 0.00 H new ATOM 0 HG SER A 30 -1.980 0.495 18.180 1.00 0.00 H new ATOM 442 N GLU A 31 -3.664 -3.528 17.537 1.00 0.00 N ATOM 443 CA GLU A 31 -4.096 -4.764 16.908 1.00 0.00 C ATOM 444 C GLU A 31 -5.090 -5.499 17.810 1.00 0.00 C ATOM 445 O GLU A 31 -5.913 -6.275 17.329 1.00 0.00 O ATOM 446 CB GLU A 31 -2.899 -5.657 16.571 1.00 0.00 C ATOM 447 CG GLU A 31 -3.360 -7.014 16.039 1.00 0.00 C ATOM 448 CD GLU A 31 -3.903 -6.890 14.614 1.00 0.00 C ATOM 449 OE1 GLU A 31 -3.253 -6.177 13.819 1.00 0.00 O ATOM 450 OE2 GLU A 31 -4.957 -7.510 14.352 1.00 0.00 O ATOM 0 H GLU A 31 -2.653 -3.416 17.607 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.597 -4.516 15.972 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.272 -5.165 15.828 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.286 -5.800 17.461 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.527 -7.716 16.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.132 -7.421 16.692 1.00 0.00 H new ATOM 455 N GLU A 32 -4.980 -5.228 19.102 1.00 0.00 N ATOM 456 CA GLU A 32 -5.858 -5.853 20.076 1.00 0.00 C ATOM 457 C GLU A 32 -7.210 -5.135 20.110 1.00 0.00 C ATOM 458 O GLU A 32 -8.222 -5.729 20.476 1.00 0.00 O ATOM 459 CB GLU A 32 -5.214 -5.875 21.462 1.00 0.00 C ATOM 460 CG GLU A 32 -5.498 -4.576 22.219 1.00 0.00 C ATOM 461 CD GLU A 32 -6.656 -4.755 23.202 1.00 0.00 C ATOM 462 OE1 GLU A 32 -6.600 -5.739 23.972 1.00 0.00 O ATOM 463 OE2 GLU A 32 -7.572 -3.905 23.163 1.00 0.00 O ATOM 0 H GLU A 32 -4.295 -4.583 19.497 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.025 -6.887 19.774 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.596 -6.723 22.031 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.137 -6.015 21.365 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.604 -4.263 22.758 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.737 -3.783 21.510 1.00 0.00 H new ATOM 468 N LEU A 33 -7.180 -3.868 19.724 1.00 0.00 N ATOM 469 CA LEU A 33 -8.389 -3.063 19.706 1.00 0.00 C ATOM 470 C LEU A 33 -9.378 -3.658 18.701 1.00 0.00 C ATOM 471 O LEU A 33 -10.554 -3.838 19.014 1.00 0.00 O ATOM 472 CB LEU A 33 -8.051 -1.594 19.440 1.00 0.00 C ATOM 473 CG LEU A 33 -8.374 -0.617 20.571 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.882 -0.543 20.819 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.602 -0.975 21.843 1.00 0.00 C ATOM 0 H LEU A 33 -6.337 -3.379 19.421 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.874 -3.083 20.682 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.987 -1.521 19.217 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.587 -1.274 18.546 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.049 0.377 20.265 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.084 0.159 21.628 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.384 -0.205 19.912 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.254 -1.530 21.094 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.850 -0.264 22.631 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.874 -1.981 22.163 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.531 -0.935 21.642 1.00 0.00 H new ATOM 486 N VAL A 34 -8.864 -3.946 17.514 1.00 0.00 N ATOM 487 CA VAL A 34 -9.688 -4.517 16.461 1.00 0.00 C ATOM 488 C VAL A 34 -10.257 -5.857 16.934 1.00 0.00 C ATOM 489 O VAL A 34 -11.260 -6.331 16.403 1.00 0.00 O ATOM 490 CB VAL A 34 -8.877 -4.635 15.169 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.661 -5.543 15.365 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.753 -5.132 14.016 1.00 0.00 C ATOM 0 H VAL A 34 -7.888 -3.795 17.258 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.533 -3.865 16.241 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.513 -3.641 14.910 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.102 -5.609 14.431 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.020 -5.129 16.143 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.994 -6.538 15.660 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.153 -5.207 13.109 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.160 -6.112 14.264 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.571 -4.431 13.852 1.00 0.00 H new ATOM 502 N GLN A 35 -9.590 -6.429 17.926 1.00 0.00 N ATOM 503 CA GLN A 35 -10.017 -7.704 18.477 1.00 0.00 C ATOM 504 C GLN A 35 -11.175 -7.500 19.455 1.00 0.00 C ATOM 505 O GLN A 35 -12.118 -8.290 19.482 1.00 0.00 O ATOM 506 CB GLN A 35 -8.850 -8.427 19.152 1.00 0.00 C ATOM 507 CG GLN A 35 -9.228 -9.868 19.504 1.00 0.00 C ATOM 508 CD GLN A 35 -8.624 -10.281 20.848 1.00 0.00 C ATOM 509 OE1 GLN A 35 -8.069 -9.478 21.581 1.00 0.00 O ATOM 510 NE2 GLN A 35 -8.762 -11.573 21.129 1.00 0.00 N ATOM 0 H GLN A 35 -8.757 -6.033 18.362 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.367 -8.332 17.658 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.984 -8.426 18.489 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.560 -7.892 20.056 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.313 -9.964 19.544 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.878 -10.541 18.722 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.238 -12.190 20.471 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.392 -11.947 22.003 1.00 0.00 H new ATOM 517 N LYS A 36 -11.068 -6.433 20.235 1.00 0.00 N ATOM 518 CA LYS A 36 -12.096 -6.114 21.212 1.00 0.00 C ATOM 519 C LYS A 36 -13.420 -5.857 20.489 1.00 0.00 C ATOM 520 O LYS A 36 -14.490 -6.000 21.077 1.00 0.00 O ATOM 521 CB LYS A 36 -11.647 -4.954 22.102 1.00 0.00 C ATOM 522 CG LYS A 36 -11.947 -5.244 23.575 1.00 0.00 C ATOM 523 CD LYS A 36 -12.594 -4.035 24.250 1.00 0.00 C ATOM 524 CE LYS A 36 -11.591 -3.306 25.146 1.00 0.00 C ATOM 525 NZ LYS A 36 -12.238 -2.161 25.825 1.00 0.00 N ATOM 0 H LYS A 36 -10.286 -5.779 20.210 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.258 -6.957 21.883 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.578 -4.784 21.972 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.155 -4.039 21.797 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.610 -6.106 23.652 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.024 -5.504 24.094 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.974 -3.351 23.492 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.449 -4.359 24.844 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.189 -3.996 25.888 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.750 -2.954 24.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.543 -1.678 26.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.601 -1.495 25.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.026 -2.505 26.411 1.00 0.00 H new ATOM 535 N TYR A 37 -13.303 -5.484 19.223 1.00 0.00 N ATOM 536 CA TYR A 37 -14.476 -5.206 18.413 1.00 0.00 C ATOM 537 C TYR A 37 -15.434 -6.398 18.409 1.00 0.00 C ATOM 538 O TYR A 37 -16.652 -6.222 18.401 1.00 0.00 O ATOM 539 CB TYR A 37 -13.962 -4.974 16.991 1.00 0.00 C ATOM 540 CG TYR A 37 -14.447 -6.013 15.978 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.875 -7.269 15.951 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.454 -5.694 15.090 1.00 0.00 C ATOM 543 CE1 TYR A 37 -14.330 -8.247 14.997 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.909 -6.672 14.136 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.325 -7.900 14.137 1.00 0.00 C ATOM 546 OH TYR A 37 -15.755 -8.824 13.236 1.00 0.00 O ATOM 0 H TYR A 37 -12.413 -5.368 18.738 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.019 -4.346 18.806 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.275 -3.984 16.659 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.872 -4.976 17.005 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.086 -7.518 16.645 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.901 -4.711 15.111 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.891 -9.233 14.965 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.696 -6.436 13.436 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.470 -8.438 12.687 1.00 0.00 H new ATOM 555 N SER A 38 -14.849 -7.587 18.413 1.00 0.00 N ATOM 556 CA SER A 38 -15.634 -8.809 18.410 1.00 0.00 C ATOM 557 C SER A 38 -16.505 -8.875 19.667 1.00 0.00 C ATOM 558 O SER A 38 -17.679 -9.232 19.595 1.00 0.00 O ATOM 559 CB SER A 38 -14.735 -10.043 18.322 1.00 0.00 C ATOM 560 OG SER A 38 -15.478 -11.254 18.413 1.00 0.00 O ATOM 0 H SER A 38 -13.839 -7.730 18.418 1.00 0.00 H new ATOM 0 HA SER A 38 -16.277 -8.799 17.530 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.186 -10.025 17.380 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.996 -10.011 19.123 1.00 0.00 H new ATOM 0 HG SER A 38 -14.867 -12.018 18.351 1.00 0.00 H new ATOM 565 N ASN A 39 -15.893 -8.526 20.789 1.00 0.00 N ATOM 566 CA ASN A 39 -16.598 -8.541 22.060 1.00 0.00 C ATOM 567 C ASN A 39 -17.383 -7.238 22.220 1.00 0.00 C ATOM 568 O ASN A 39 -18.367 -7.188 22.956 1.00 0.00 O ATOM 569 CB ASN A 39 -15.619 -8.649 23.231 1.00 0.00 C ATOM 570 CG ASN A 39 -16.116 -9.656 24.271 1.00 0.00 C ATOM 571 OD1 ASN A 39 -16.091 -10.859 24.070 1.00 0.00 O ATOM 572 ND2 ASN A 39 -16.569 -9.097 25.390 1.00 0.00 N ATOM 0 H ASN A 39 -14.918 -8.231 20.845 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.264 -9.404 22.065 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.639 -8.954 22.863 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.494 -7.671 23.697 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -16.924 -9.683 26.145 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.561 -8.082 25.493 1.00 0.00 H new ATOM 578 N SER A 40 -16.918 -6.215 21.517 1.00 0.00 N ATOM 579 CA SER A 40 -17.564 -4.915 21.571 1.00 0.00 C ATOM 580 C SER A 40 -18.797 -4.905 20.665 1.00 0.00 C ATOM 581 O SER A 40 -19.766 -4.199 20.938 1.00 0.00 O ATOM 582 CB SER A 40 -16.597 -3.801 21.163 1.00 0.00 C ATOM 583 OG SER A 40 -15.349 -3.902 21.845 1.00 0.00 O ATOM 0 H SER A 40 -16.102 -6.261 20.907 1.00 0.00 H new ATOM 0 HA SER A 40 -17.875 -4.731 22.599 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.427 -3.844 20.087 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.049 -2.832 21.376 1.00 0.00 H new ATOM 0 HG SER A 40 -15.076 -4.842 21.891 1.00 0.00 H new ATOM 588 N ALA A 41 -18.720 -5.697 19.606 1.00 0.00 N ATOM 589 CA ALA A 41 -19.817 -5.788 18.659 1.00 0.00 C ATOM 590 C ALA A 41 -21.117 -6.072 19.416 1.00 0.00 C ATOM 591 O ALA A 41 -22.206 -5.826 18.900 1.00 0.00 O ATOM 592 CB ALA A 41 -19.504 -6.863 17.616 1.00 0.00 C ATOM 0 H ALA A 41 -17.914 -6.282 19.383 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.944 -4.845 18.128 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.328 -6.931 16.905 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.588 -6.600 17.086 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.373 -7.824 18.113 1.00 0.00 H new ATOM 598 N LEU A 42 -20.958 -6.587 20.626 1.00 0.00 N ATOM 599 CA LEU A 42 -22.105 -6.907 21.459 1.00 0.00 C ATOM 600 C LEU A 42 -23.183 -5.839 21.267 1.00 0.00 C ATOM 601 O LEU A 42 -24.309 -6.150 20.879 1.00 0.00 O ATOM 602 CB LEU A 42 -21.675 -7.092 22.915 1.00 0.00 C ATOM 603 CG LEU A 42 -21.374 -8.528 23.350 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.219 -8.567 24.352 1.00 0.00 C ATOM 605 CD2 LEU A 42 -22.630 -9.210 23.895 1.00 0.00 C ATOM 0 H LEU A 42 -20.053 -6.791 21.050 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.541 -7.859 21.157 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.785 -6.487 23.090 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.461 -6.696 23.558 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.057 -9.092 22.473 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.026 -9.599 24.645 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.324 -8.147 23.893 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -20.483 -7.983 25.234 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -22.389 -10.229 24.197 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -23.001 -8.655 24.756 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.397 -9.233 23.121 1.00 0.00 H new ATOM 616 N GLY A 43 -22.802 -4.602 21.548 1.00 0.00 N ATOM 617 CA GLY A 43 -23.723 -3.486 21.411 1.00 0.00 C ATOM 618 C GLY A 43 -23.094 -2.353 20.597 1.00 0.00 C ATOM 619 O GLY A 43 -22.833 -1.274 21.127 1.00 0.00 O ATOM 0 H GLY A 43 -21.868 -4.347 21.870 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.639 -3.823 20.925 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.003 -3.118 22.398 1.00 0.00 H new ATOM 623 N HIS A 44 -22.868 -2.637 19.323 1.00 0.00 N ATOM 624 CA HIS A 44 -22.275 -1.655 18.431 1.00 0.00 C ATOM 625 C HIS A 44 -21.268 -0.803 19.204 1.00 0.00 C ATOM 626 O HIS A 44 -21.398 0.419 19.261 1.00 0.00 O ATOM 627 CB HIS A 44 -23.358 -0.820 17.746 1.00 0.00 C ATOM 628 CG HIS A 44 -22.839 0.435 17.084 1.00 0.00 C ATOM 629 ND1 HIS A 44 -23.524 1.636 17.114 1.00 0.00 N ATOM 630 CD2 HIS A 44 -21.695 0.660 16.377 1.00 0.00 C ATOM 631 CE1 HIS A 44 -22.816 2.538 16.449 1.00 0.00 C ATOM 632 NE2 HIS A 44 -21.683 1.931 15.992 1.00 0.00 N ATOM 0 H HIS A 44 -23.085 -3.533 18.887 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.732 -2.162 17.634 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -23.856 -1.435 16.996 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -24.111 -0.544 18.484 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -24.421 1.800 17.570 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -20.929 -0.071 16.166 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -23.088 3.572 16.296 1.00 0.00 H new ATOM 640 N VAL A 45 -20.285 -1.480 19.780 1.00 0.00 N ATOM 641 CA VAL A 45 -19.256 -0.799 20.546 1.00 0.00 C ATOM 642 C VAL A 45 -17.925 -0.887 19.797 1.00 0.00 C ATOM 643 O VAL A 45 -17.043 -0.052 19.991 1.00 0.00 O ATOM 644 CB VAL A 45 -19.186 -1.381 21.960 1.00 0.00 C ATOM 645 CG1 VAL A 45 -18.106 -0.681 22.788 1.00 0.00 C ATOM 646 CG2 VAL A 45 -20.547 -1.301 22.654 1.00 0.00 C ATOM 0 H VAL A 45 -20.180 -2.493 19.731 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.498 0.258 20.655 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.914 -2.433 21.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.077 -1.113 23.788 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.137 -0.813 22.308 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.334 0.383 22.859 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -20.469 -1.721 23.657 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.861 -0.259 22.720 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.282 -1.866 22.080 1.00 0.00 H new ATOM 656 N ASN A 46 -17.822 -1.907 18.957 1.00 0.00 N ATOM 657 CA ASN A 46 -16.614 -2.115 18.178 1.00 0.00 C ATOM 658 C ASN A 46 -16.305 -0.848 17.375 1.00 0.00 C ATOM 659 O ASN A 46 -15.159 -0.615 16.994 1.00 0.00 O ATOM 660 CB ASN A 46 -16.788 -3.269 17.190 1.00 0.00 C ATOM 661 CG ASN A 46 -18.205 -3.292 16.617 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.968 -2.348 16.741 1.00 0.00 O ATOM 663 ND2 ASN A 46 -18.516 -4.420 15.983 1.00 0.00 N ATOM 0 H ASN A 46 -18.556 -2.598 18.799 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.804 -2.350 18.869 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.066 -3.170 16.379 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.579 -4.215 17.690 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.440 -4.532 15.565 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.831 -5.172 15.915 1.00 0.00 H new ATOM 669 N CYS A 47 -17.348 -0.065 17.142 1.00 0.00 N ATOM 670 CA CYS A 47 -17.203 1.171 16.392 1.00 0.00 C ATOM 671 C CYS A 47 -16.839 2.287 17.372 1.00 0.00 C ATOM 672 O CYS A 47 -16.187 3.260 16.996 1.00 0.00 O ATOM 673 CB CYS A 47 -18.467 1.500 15.595 1.00 0.00 C ATOM 674 SG CYS A 47 -18.377 3.214 14.959 1.00 0.00 S ATOM 0 H CYS A 47 -18.297 -0.263 17.459 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.407 1.062 15.656 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.576 0.801 14.766 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.347 1.384 16.228 1.00 0.00 H new ATOM 0 HG CYS A 47 -17.366 3.825 15.501 1.00 0.00 H new ATOM 679 N THR A 48 -17.276 2.110 18.610 1.00 0.00 N ATOM 680 CA THR A 48 -17.004 3.091 19.647 1.00 0.00 C ATOM 681 C THR A 48 -15.628 2.842 20.269 1.00 0.00 C ATOM 682 O THR A 48 -15.060 3.731 20.901 1.00 0.00 O ATOM 683 CB THR A 48 -18.149 3.037 20.661 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.253 3.615 19.970 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.922 3.971 21.851 1.00 0.00 C ATOM 0 H THR A 48 -17.817 1.302 18.918 1.00 0.00 H new ATOM 0 HA THR A 48 -16.962 4.100 19.236 1.00 0.00 H new ATOM 0 HB THR A 48 -18.267 2.015 21.020 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.039 3.618 20.555 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.763 3.894 22.540 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.004 3.687 22.366 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.836 4.998 21.496 1.00 0.00 H new ATOM 693 N ILE A 49 -15.134 1.629 20.068 1.00 0.00 N ATOM 694 CA ILE A 49 -13.836 1.253 20.602 1.00 0.00 C ATOM 695 C ILE A 49 -12.764 1.487 19.536 1.00 0.00 C ATOM 696 O ILE A 49 -11.705 2.042 19.827 1.00 0.00 O ATOM 697 CB ILE A 49 -13.871 -0.180 21.134 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.033 -1.186 19.992 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.958 -0.344 22.199 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.678 -1.535 19.373 1.00 0.00 C ATOM 0 H ILE A 49 -15.609 0.894 19.543 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.579 1.880 21.456 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.915 -0.388 21.614 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.510 -2.092 20.366 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.690 -0.771 19.228 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.961 -1.372 22.560 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.758 0.332 23.030 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.930 -0.109 21.766 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.821 -2.251 18.564 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.214 -0.631 18.979 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.032 -1.972 20.134 1.00 0.00 H new ATOM 711 N LYS A 50 -13.076 1.053 18.323 1.00 0.00 N ATOM 712 CA LYS A 50 -12.153 1.209 17.212 1.00 0.00 C ATOM 713 C LYS A 50 -11.995 2.697 16.890 1.00 0.00 C ATOM 714 O LYS A 50 -10.936 3.128 16.437 1.00 0.00 O ATOM 715 CB LYS A 50 -12.604 0.366 16.018 1.00 0.00 C ATOM 716 CG LYS A 50 -13.875 0.942 15.389 1.00 0.00 C ATOM 717 CD LYS A 50 -13.538 2.053 14.391 1.00 0.00 C ATOM 718 CE LYS A 50 -14.576 3.174 14.449 1.00 0.00 C ATOM 719 NZ LYS A 50 -14.308 4.183 13.400 1.00 0.00 N ATOM 0 H LYS A 50 -13.955 0.593 18.086 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.166 0.835 17.482 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.809 0.330 15.273 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.786 -0.659 16.340 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.426 0.149 14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.526 1.335 16.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.549 2.456 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.498 1.641 13.383 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.575 2.760 14.316 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.555 3.647 15.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.910 5.040 13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.630 3.797 12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.196 4.422 12.914 1.00 0.00 H new ATOM 729 N GLU A 51 -13.064 3.440 17.137 1.00 0.00 N ATOM 730 CA GLU A 51 -13.057 4.870 16.879 1.00 0.00 C ATOM 731 C GLU A 51 -11.757 5.495 17.389 1.00 0.00 C ATOM 732 O GLU A 51 -11.299 6.504 16.855 1.00 0.00 O ATOM 733 CB GLU A 51 -14.275 5.547 17.512 1.00 0.00 C ATOM 734 CG GLU A 51 -14.302 5.325 19.025 1.00 0.00 C ATOM 735 CD GLU A 51 -13.662 6.503 19.763 1.00 0.00 C ATOM 736 OE1 GLU A 51 -12.436 6.683 19.592 1.00 0.00 O ATOM 737 OE2 GLU A 51 -14.412 7.198 20.481 1.00 0.00 O ATOM 0 H GLU A 51 -13.941 3.079 17.513 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.114 5.025 15.802 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.253 6.616 17.298 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.188 5.151 17.067 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.332 5.198 19.359 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.771 4.405 19.271 1.00 0.00 H new ATOM 742 N LEU A 52 -11.198 4.869 18.414 1.00 0.00 N ATOM 743 CA LEU A 52 -9.959 5.351 19.001 1.00 0.00 C ATOM 744 C LEU A 52 -8.780 4.593 18.387 1.00 0.00 C ATOM 745 O LEU A 52 -7.680 5.132 18.282 1.00 0.00 O ATOM 746 CB LEU A 52 -10.019 5.263 20.527 1.00 0.00 C ATOM 747 CG LEU A 52 -9.485 6.476 21.292 1.00 0.00 C ATOM 748 CD1 LEU A 52 -8.086 6.858 20.804 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.461 7.651 21.206 1.00 0.00 C ATOM 0 H LEU A 52 -11.580 4.032 18.853 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.814 6.407 18.771 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.056 5.101 20.821 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.457 4.384 20.842 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.398 6.205 22.344 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.729 7.723 21.363 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.406 6.020 20.958 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.125 7.103 19.743 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.058 8.500 21.758 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.602 7.931 20.162 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.419 7.360 21.637 1.00 0.00 H new ATOM 760 N ARG A 53 -9.052 3.357 17.998 1.00 0.00 N ATOM 761 CA ARG A 53 -8.027 2.520 17.398 1.00 0.00 C ATOM 762 C ARG A 53 -7.737 2.978 15.967 1.00 0.00 C ATOM 763 O ARG A 53 -6.685 3.558 15.698 1.00 0.00 O ATOM 764 CB ARG A 53 -8.457 1.051 17.378 1.00 0.00 C ATOM 765 CG ARG A 53 -7.372 0.172 16.753 1.00 0.00 C ATOM 766 CD ARG A 53 -7.882 -0.508 15.480 1.00 0.00 C ATOM 767 NE ARG A 53 -6.742 -1.032 14.695 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.936 -0.272 13.942 1.00 0.00 C ATOM 769 NH1 ARG A 53 -6.138 1.051 13.868 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.926 -0.834 13.264 1.00 0.00 N ATOM 0 H ARG A 53 -9.967 2.915 18.086 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.126 2.615 18.003 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.662 0.714 18.394 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.384 0.947 16.814 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.497 0.779 16.520 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.053 -0.584 17.471 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.560 -1.321 15.739 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.451 0.203 14.881 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.559 -2.035 14.730 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.906 1.479 14.385 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.524 1.629 13.295 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.771 -1.841 13.321 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.312 -0.255 12.691 1.00 0.00 H new ATOM 781 N ARG A 54 -8.689 2.704 15.087 1.00 0.00 N ATOM 782 CA ARG A 54 -8.550 3.082 13.691 1.00 0.00 C ATOM 783 C ARG A 54 -9.253 4.415 13.430 1.00 0.00 C ATOM 784 O ARG A 54 -8.636 5.361 12.940 1.00 0.00 O ATOM 785 CB ARG A 54 -9.140 2.014 12.770 1.00 0.00 C ATOM 786 CG ARG A 54 -8.197 1.715 11.602 1.00 0.00 C ATOM 787 CD ARG A 54 -8.963 1.123 10.417 1.00 0.00 C ATOM 788 NE ARG A 54 -8.416 1.650 9.146 1.00 0.00 N ATOM 789 CZ ARG A 54 -9.031 1.540 7.961 1.00 0.00 C ATOM 790 NH1 ARG A 54 -10.216 0.921 7.876 1.00 0.00 N ATOM 791 NH2 ARG A 54 -8.460 2.049 6.860 1.00 0.00 N ATOM 0 H ARG A 54 -9.560 2.224 15.314 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.485 3.181 13.479 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.324 1.101 13.337 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.103 2.351 12.387 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.693 2.631 11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.423 1.018 11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.888 0.036 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.021 1.371 10.497 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.515 2.127 9.174 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.650 0.533 8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.684 0.837 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.558 2.520 6.925 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.928 1.965 5.958 1.00 0.00 H new ATOM 802 N LEU A 55 -10.533 4.450 13.767 1.00 0.00 N ATOM 803 CA LEU A 55 -11.327 5.651 13.574 1.00 0.00 C ATOM 804 C LEU A 55 -11.991 5.603 12.197 1.00 0.00 C ATOM 805 O LEU A 55 -12.305 6.643 11.619 1.00 0.00 O ATOM 806 CB LEU A 55 -10.471 6.900 13.801 1.00 0.00 C ATOM 807 CG LEU A 55 -11.229 8.170 14.192 1.00 0.00 C ATOM 808 CD1 LEU A 55 -12.717 7.879 14.398 1.00 0.00 C ATOM 809 CD2 LEU A 55 -10.598 8.828 15.420 1.00 0.00 C ATOM 0 H LEU A 55 -11.041 3.664 14.173 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.127 5.702 14.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.743 6.680 14.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.909 7.102 12.889 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.151 8.881 13.370 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.233 8.798 14.675 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.143 7.489 13.474 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.837 7.142 15.192 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.156 9.729 15.677 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.624 8.133 16.259 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.564 9.092 15.200 1.00 0.00 H new ATOM 820 N PHE A 56 -12.187 4.386 11.712 1.00 0.00 N ATOM 821 CA PHE A 56 -12.809 4.189 10.414 1.00 0.00 C ATOM 822 C PHE A 56 -13.511 2.830 10.343 1.00 0.00 C ATOM 823 O PHE A 56 -14.576 2.709 9.741 1.00 0.00 O ATOM 824 CB PHE A 56 -11.690 4.227 9.371 1.00 0.00 C ATOM 825 CG PHE A 56 -12.021 5.065 8.134 1.00 0.00 C ATOM 826 CD1 PHE A 56 -12.475 6.339 8.278 1.00 0.00 C ATOM 827 CD2 PHE A 56 -11.861 4.536 6.892 1.00 0.00 C ATOM 828 CE1 PHE A 56 -12.781 7.117 7.130 1.00 0.00 C ATOM 829 CE2 PHE A 56 -12.167 5.313 5.744 1.00 0.00 C ATOM 830 CZ PHE A 56 -12.621 6.589 5.888 1.00 0.00 C ATOM 0 H PHE A 56 -11.926 3.526 12.195 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.556 4.963 10.238 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.788 4.624 9.836 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.465 3.208 9.057 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.603 6.759 9.265 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.501 3.524 6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -13.141 8.129 7.244 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -12.040 4.893 4.757 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.854 7.181 5.015 1.00 0.00 H new ATOM 839 N LEU A 57 -12.883 1.844 10.966 1.00 0.00 N ATOM 840 CA LEU A 57 -13.434 0.499 10.981 1.00 0.00 C ATOM 841 C LEU A 57 -14.954 0.576 11.137 1.00 0.00 C ATOM 842 O LEU A 57 -15.676 -0.296 10.658 1.00 0.00 O ATOM 843 CB LEU A 57 -12.748 -0.349 12.054 1.00 0.00 C ATOM 844 CG LEU A 57 -12.208 -1.705 11.594 1.00 0.00 C ATOM 845 CD1 LEU A 57 -13.323 -2.565 10.997 1.00 0.00 C ATOM 846 CD2 LEU A 57 -11.038 -1.528 10.623 1.00 0.00 C ATOM 0 H LEU A 57 -11.999 1.949 11.464 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.236 -0.004 10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.921 0.227 12.470 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.458 -0.519 12.864 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.825 -2.235 12.467 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.912 -3.523 10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.095 -2.733 11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.758 -2.053 10.139 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.673 -2.506 10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.372 -0.970 9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.235 -0.981 11.117 1.00 0.00 H new ATOM 857 N VAL A 58 -15.394 1.629 11.809 1.00 0.00 N ATOM 858 CA VAL A 58 -16.816 1.832 12.035 1.00 0.00 C ATOM 859 C VAL A 58 -17.491 0.477 12.259 1.00 0.00 C ATOM 860 O VAL A 58 -18.348 0.069 11.477 1.00 0.00 O ATOM 861 CB VAL A 58 -17.424 2.617 10.871 1.00 0.00 C ATOM 862 CG1 VAL A 58 -17.325 1.825 9.565 1.00 0.00 C ATOM 863 CG2 VAL A 58 -18.873 3.004 11.168 1.00 0.00 C ATOM 0 H VAL A 58 -14.792 2.351 12.205 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.979 2.429 12.932 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.850 3.536 10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -17.764 2.405 8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -16.278 1.623 9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.862 0.882 9.669 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -19.281 3.561 10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.465 2.103 11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.908 3.625 12.063 1.00 0.00 H new ATOM 873 N ASP A 59 -17.079 -0.183 13.332 1.00 0.00 N ATOM 874 CA ASP A 59 -17.633 -1.483 13.669 1.00 0.00 C ATOM 875 C ASP A 59 -16.962 -2.557 12.809 1.00 0.00 C ATOM 876 O ASP A 59 -16.426 -3.532 13.334 1.00 0.00 O ATOM 877 CB ASP A 59 -19.137 -1.529 13.394 1.00 0.00 C ATOM 878 CG ASP A 59 -19.908 -2.586 14.188 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.704 -3.782 13.886 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.682 -2.175 15.078 1.00 0.00 O ATOM 0 H ASP A 59 -16.368 0.159 13.979 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.455 -1.661 14.730 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.561 -0.550 13.614 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.291 -1.711 12.330 1.00 0.00 H new ATOM 884 N ASP A 60 -17.015 -2.341 11.503 1.00 0.00 N ATOM 885 CA ASP A 60 -16.419 -3.279 10.566 1.00 0.00 C ATOM 886 C ASP A 60 -16.197 -2.579 9.223 1.00 0.00 C ATOM 887 O ASP A 60 -17.150 -2.123 8.593 1.00 0.00 O ATOM 888 CB ASP A 60 -17.338 -4.478 10.327 1.00 0.00 C ATOM 889 CG ASP A 60 -16.797 -5.524 9.352 1.00 0.00 C ATOM 890 OD1 ASP A 60 -17.056 -5.357 8.139 1.00 0.00 O ATOM 891 OD2 ASP A 60 -16.136 -6.467 9.838 1.00 0.00 O ATOM 0 H ASP A 60 -17.461 -1.531 11.072 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.476 -3.626 10.990 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.534 -4.962 11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.295 -4.114 9.952 1.00 0.00 H new