USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 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 47 CYS SG : rot 42:sc= 0.0514 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.00382 USER MOD Single : A 8 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.5) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 83:sc= 1.27 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 86:sc= 0.109 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 165:sc= -0.194 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.5!) USER MOD Single : A 40 SER OG : rot 144:sc= -0.963 USER MOD Single : A 44 HIS : no HD1:sc= -2.03 K(o=-2,f=-3!) USER MOD Single : A 46 ASN : amide:sc= -8.39! C(o=-8.4!,f=-20!) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= -7.76! (180deg=-7.81!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 9.809 17.970 21.002 1.00 0.00 N ATOM 86 CA VAL A 6 9.338 16.598 21.088 1.00 0.00 C ATOM 87 C VAL A 6 9.549 15.905 19.740 1.00 0.00 C ATOM 88 O VAL A 6 10.075 14.794 19.684 1.00 0.00 O ATOM 89 CB VAL A 6 7.880 16.574 21.550 1.00 0.00 C ATOM 90 CG1 VAL A 6 7.129 17.815 21.062 1.00 0.00 C ATOM 91 CG2 VAL A 6 7.179 15.293 21.090 1.00 0.00 C ATOM 0 HA VAL A 6 9.910 16.044 21.832 1.00 0.00 H new ATOM 0 HB VAL A 6 7.875 16.586 22.640 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.095 17.773 21.404 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.607 18.710 21.461 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.149 17.848 19.973 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.144 15.302 21.432 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.201 15.237 20.002 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.692 14.427 21.509 1.00 0.00 H new ATOM 101 N ILE A 7 9.128 16.590 18.686 1.00 0.00 N ATOM 102 CA ILE A 7 9.266 16.054 17.342 1.00 0.00 C ATOM 103 C ILE A 7 10.744 16.048 16.949 1.00 0.00 C ATOM 104 O ILE A 7 11.161 15.258 16.103 1.00 0.00 O ATOM 105 CB ILE A 7 8.372 16.822 16.367 1.00 0.00 C ATOM 106 CG1 ILE A 7 8.621 18.328 16.464 1.00 0.00 C ATOM 107 CG2 ILE A 7 6.898 16.470 16.578 1.00 0.00 C ATOM 108 CD1 ILE A 7 8.868 18.935 15.082 1.00 0.00 C ATOM 0 H ILE A 7 8.692 17.511 18.736 1.00 0.00 H new ATOM 0 HA ILE A 7 8.924 15.020 17.306 1.00 0.00 H new ATOM 0 HB ILE A 7 8.633 16.517 15.354 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.763 18.812 16.929 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.481 18.517 17.107 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.285 17.030 15.872 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.752 15.402 16.417 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.605 16.727 17.596 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.042 20.006 15.181 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.742 18.466 14.629 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.997 18.766 14.449 1.00 0.00 H new ATOM 119 N GLN A 8 11.495 16.937 17.581 1.00 0.00 N ATOM 120 CA GLN A 8 12.919 17.044 17.308 1.00 0.00 C ATOM 121 C GLN A 8 13.714 16.177 18.287 1.00 0.00 C ATOM 122 O GLN A 8 14.725 15.584 17.915 1.00 0.00 O ATOM 123 CB GLN A 8 13.380 18.501 17.366 1.00 0.00 C ATOM 124 CG GLN A 8 14.083 18.907 16.069 1.00 0.00 C ATOM 125 CD GLN A 8 13.136 19.684 15.152 1.00 0.00 C ATOM 126 OE1 GLN A 8 11.927 19.673 15.313 1.00 0.00 O ATOM 127 NE2 GLN A 8 13.751 20.358 14.186 1.00 0.00 N ATOM 0 H GLN A 8 11.145 17.590 18.282 1.00 0.00 H new ATOM 0 HA GLN A 8 13.104 16.679 16.298 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.522 19.151 17.537 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.057 18.638 18.209 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.955 19.519 16.300 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.445 18.017 15.554 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.767 20.324 14.108 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.207 20.909 13.523 1.00 0.00 H new ATOM 134 N ALA A 9 13.226 16.131 19.517 1.00 0.00 N ATOM 135 CA ALA A 9 13.878 15.347 20.551 1.00 0.00 C ATOM 136 C ALA A 9 13.655 13.858 20.275 1.00 0.00 C ATOM 137 O ALA A 9 14.611 13.089 20.185 1.00 0.00 O ATOM 138 CB ALA A 9 13.350 15.770 21.924 1.00 0.00 C ATOM 0 H ALA A 9 12.386 16.624 19.821 1.00 0.00 H new ATOM 0 HA ALA A 9 14.953 15.526 20.546 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.840 15.181 22.699 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.560 16.827 22.085 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.274 15.603 21.967 1.00 0.00 H new ATOM 144 N ILE A 10 12.387 13.497 20.146 1.00 0.00 N ATOM 145 CA ILE A 10 12.026 12.115 19.882 1.00 0.00 C ATOM 146 C ILE A 10 12.577 11.701 18.515 1.00 0.00 C ATOM 147 O ILE A 10 12.779 10.516 18.257 1.00 0.00 O ATOM 148 CB ILE A 10 10.514 11.920 20.020 1.00 0.00 C ATOM 149 CG1 ILE A 10 9.783 12.388 18.760 1.00 0.00 C ATOM 150 CG2 ILE A 10 9.985 12.610 21.279 1.00 0.00 C ATOM 151 CD1 ILE A 10 9.455 11.206 17.846 1.00 0.00 C ATOM 0 H ILE A 10 11.597 14.138 20.219 1.00 0.00 H new ATOM 0 HA ILE A 10 12.478 11.455 20.622 1.00 0.00 H new ATOM 0 HB ILE A 10 10.316 10.854 20.130 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.864 12.903 19.039 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.401 13.107 18.223 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.908 12.456 21.353 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.473 12.188 22.158 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.196 13.678 21.224 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.936 11.566 16.958 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.378 10.708 17.550 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.817 10.501 18.378 1.00 0.00 H new ATOM 162 N GLN A 11 12.803 12.702 17.677 1.00 0.00 N ATOM 163 CA GLN A 11 13.327 12.457 16.344 1.00 0.00 C ATOM 164 C GLN A 11 14.643 11.680 16.425 1.00 0.00 C ATOM 165 O GLN A 11 14.809 10.663 15.754 1.00 0.00 O ATOM 166 CB GLN A 11 13.511 13.768 15.578 1.00 0.00 C ATOM 167 CG GLN A 11 12.582 13.828 14.363 1.00 0.00 C ATOM 168 CD GLN A 11 13.236 13.180 13.141 1.00 0.00 C ATOM 169 OE1 GLN A 11 13.274 11.969 12.994 1.00 0.00 O ATOM 170 NE2 GLN A 11 13.746 14.051 12.275 1.00 0.00 N ATOM 0 H GLN A 11 12.633 13.684 17.895 1.00 0.00 H new ATOM 0 HA GLN A 11 12.604 11.853 15.796 1.00 0.00 H new ATOM 0 HB2 GLN A 11 13.307 14.611 16.238 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.547 13.861 15.253 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.645 13.319 14.591 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.335 14.866 14.140 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.680 15.052 12.460 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.203 13.718 11.426 1.00 0.00 H new ATOM 177 N LYS A 12 15.543 12.189 17.253 1.00 0.00 N ATOM 178 CA LYS A 12 16.838 11.555 17.431 1.00 0.00 C ATOM 179 C LYS A 12 16.708 10.409 18.435 1.00 0.00 C ATOM 180 O LYS A 12 17.097 9.278 18.147 1.00 0.00 O ATOM 181 CB LYS A 12 17.895 12.593 17.816 1.00 0.00 C ATOM 182 CG LYS A 12 18.290 13.448 16.610 1.00 0.00 C ATOM 183 CD LYS A 12 17.381 14.673 16.485 1.00 0.00 C ATOM 184 CE LYS A 12 18.187 15.968 16.608 1.00 0.00 C ATOM 185 NZ LYS A 12 18.679 16.399 15.281 1.00 0.00 N ATOM 0 H LYS A 12 15.401 13.033 17.808 1.00 0.00 H new ATOM 0 HA LYS A 12 17.180 11.119 16.492 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.509 13.233 18.609 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.776 12.089 18.213 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.327 13.769 16.711 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.228 12.851 15.700 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.865 14.651 15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.615 14.642 17.259 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.566 16.750 17.044 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.029 15.817 17.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.224 17.279 15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.289 15.658 14.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.871 16.563 14.648 1.00 0.00 H new ATOM 195 N SER A 13 16.158 10.740 19.594 1.00 0.00 N ATOM 196 CA SER A 13 15.970 9.752 20.643 1.00 0.00 C ATOM 197 C SER A 13 15.366 8.474 20.057 1.00 0.00 C ATOM 198 O SER A 13 15.540 7.390 20.611 1.00 0.00 O ATOM 199 CB SER A 13 15.078 10.297 21.760 1.00 0.00 C ATOM 200 OG SER A 13 15.519 11.571 22.221 1.00 0.00 O ATOM 0 H SER A 13 15.836 11.679 19.830 1.00 0.00 H new ATOM 0 HA SER A 13 16.945 9.521 21.073 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.053 10.377 21.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.069 9.593 22.592 1.00 0.00 H new ATOM 0 HG SER A 13 15.180 12.270 21.624 1.00 0.00 H new ATOM 205 N ASP A 14 14.668 8.644 18.944 1.00 0.00 N ATOM 206 CA ASP A 14 14.038 7.519 18.276 1.00 0.00 C ATOM 207 C ASP A 14 15.117 6.546 17.796 1.00 0.00 C ATOM 208 O ASP A 14 14.951 5.331 17.894 1.00 0.00 O ATOM 209 CB ASP A 14 13.239 7.978 17.055 1.00 0.00 C ATOM 210 CG ASP A 14 11.720 7.891 17.205 1.00 0.00 C ATOM 211 OD1 ASP A 14 11.206 8.521 18.156 1.00 0.00 O ATOM 212 OD2 ASP A 14 11.105 7.196 16.368 1.00 0.00 O ATOM 0 H ASP A 14 14.525 9.545 18.488 1.00 0.00 H new ATOM 0 HA ASP A 14 13.365 7.040 18.987 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.508 9.010 16.831 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.539 7.377 16.197 1.00 0.00 H new ATOM 216 N GLU A 15 16.199 7.116 17.288 1.00 0.00 N ATOM 217 CA GLU A 15 17.305 6.315 16.793 1.00 0.00 C ATOM 218 C GLU A 15 18.421 6.246 17.838 1.00 0.00 C ATOM 219 O GLU A 15 19.146 5.255 17.913 1.00 0.00 O ATOM 220 CB GLU A 15 17.832 6.866 15.466 1.00 0.00 C ATOM 221 CG GLU A 15 16.794 6.703 14.354 1.00 0.00 C ATOM 222 CD GLU A 15 17.443 6.827 12.975 1.00 0.00 C ATOM 223 OE1 GLU A 15 18.312 5.980 12.678 1.00 0.00 O ATOM 224 OE2 GLU A 15 17.056 7.769 12.248 1.00 0.00 O ATOM 0 H GLU A 15 16.334 8.124 17.208 1.00 0.00 H new ATOM 0 HA GLU A 15 16.941 5.304 16.610 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.085 7.920 15.581 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.750 6.346 15.191 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.308 5.732 14.445 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.017 7.460 14.463 1.00 0.00 H new ATOM 304 N ALA A 21 10.763 0.846 19.577 1.00 0.00 N ATOM 305 CA ALA A 21 9.897 -0.293 19.826 1.00 0.00 C ATOM 306 C ALA A 21 8.685 0.161 20.642 1.00 0.00 C ATOM 307 O ALA A 21 7.555 0.118 20.159 1.00 0.00 O ATOM 308 CB ALA A 21 10.692 -1.396 20.527 1.00 0.00 C ATOM 0 HA ALA A 21 9.526 -0.705 18.887 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.042 -2.251 20.714 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.523 -1.704 19.893 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.078 -1.020 21.474 1.00 0.00 H new ATOM 314 N TYR A 22 8.962 0.587 21.866 1.00 0.00 N ATOM 315 CA TYR A 22 7.909 1.048 22.754 1.00 0.00 C ATOM 316 C TYR A 22 6.927 1.957 22.013 1.00 0.00 C ATOM 317 O TYR A 22 5.764 2.068 22.401 1.00 0.00 O ATOM 318 CB TYR A 22 8.606 1.857 23.851 1.00 0.00 C ATOM 319 CG TYR A 22 8.871 1.066 25.133 1.00 0.00 C ATOM 320 CD1 TYR A 22 9.885 0.131 25.171 1.00 0.00 C ATOM 321 CD2 TYR A 22 8.096 1.290 26.254 1.00 0.00 C ATOM 322 CE1 TYR A 22 10.134 -0.613 26.378 1.00 0.00 C ATOM 323 CE2 TYR A 22 8.346 0.545 27.461 1.00 0.00 C ATOM 324 CZ TYR A 22 9.353 -0.368 27.464 1.00 0.00 C ATOM 325 OH TYR A 22 9.588 -1.071 28.604 1.00 0.00 O ATOM 0 H TYR A 22 9.901 0.622 22.263 1.00 0.00 H new ATOM 0 HA TYR A 22 7.345 0.204 23.151 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.554 2.232 23.465 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.994 2.726 24.092 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.492 -0.043 24.295 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.303 2.023 26.226 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.923 -1.349 26.420 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.746 0.708 28.344 1.00 0.00 H new ATOM 0 HH TYR A 22 8.955 -0.791 29.298 1.00 0.00 H new ATOM 334 N LEU A 23 7.429 2.585 20.960 1.00 0.00 N ATOM 335 CA LEU A 23 6.610 3.481 20.161 1.00 0.00 C ATOM 336 C LEU A 23 5.760 2.658 19.191 1.00 0.00 C ATOM 337 O LEU A 23 4.536 2.779 19.176 1.00 0.00 O ATOM 338 CB LEU A 23 7.481 4.534 19.475 1.00 0.00 C ATOM 339 CG LEU A 23 6.850 5.917 19.301 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.551 5.830 18.499 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.643 6.599 20.655 1.00 0.00 C ATOM 0 H LEU A 23 8.393 2.491 20.641 1.00 0.00 H new ATOM 0 HA LEU A 23 5.921 4.037 20.797 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.401 4.646 20.049 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.763 4.159 18.491 1.00 0.00 H new ATOM 0 HG LEU A 23 7.540 6.538 18.729 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.123 6.827 18.390 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.759 5.415 17.513 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.843 5.187 19.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.193 7.580 20.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.984 5.989 21.273 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.605 6.714 21.155 1.00 0.00 H new ATOM 352 N GLU A 24 6.443 1.839 18.404 1.00 0.00 N ATOM 353 CA GLU A 24 5.766 0.997 17.433 1.00 0.00 C ATOM 354 C GLU A 24 4.826 0.020 18.142 1.00 0.00 C ATOM 355 O GLU A 24 3.824 -0.409 17.569 1.00 0.00 O ATOM 356 CB GLU A 24 6.773 0.250 16.557 1.00 0.00 C ATOM 357 CG GLU A 24 7.221 -1.052 17.224 1.00 0.00 C ATOM 358 CD GLU A 24 8.217 -1.807 16.342 1.00 0.00 C ATOM 359 OE1 GLU A 24 9.381 -1.354 16.285 1.00 0.00 O ATOM 360 OE2 GLU A 24 7.792 -2.819 15.743 1.00 0.00 O ATOM 0 H GLU A 24 7.458 1.741 18.419 1.00 0.00 H new ATOM 0 HA GLU A 24 5.171 1.636 16.780 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.325 0.031 15.588 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.640 0.884 16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.679 -0.832 18.188 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.353 -1.682 17.419 1.00 0.00 H new ATOM 365 N SER A 25 5.181 -0.303 19.376 1.00 0.00 N ATOM 366 CA SER A 25 4.381 -1.222 20.168 1.00 0.00 C ATOM 367 C SER A 25 2.969 -0.663 20.351 1.00 0.00 C ATOM 368 O SER A 25 1.985 -1.369 20.134 1.00 0.00 O ATOM 369 CB SER A 25 5.029 -1.482 21.531 1.00 0.00 C ATOM 370 OG SER A 25 4.059 -1.744 22.542 1.00 0.00 O ATOM 0 H SER A 25 6.012 0.055 19.847 1.00 0.00 H new ATOM 0 HA SER A 25 4.323 -2.171 19.635 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.710 -2.330 21.453 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.628 -0.618 21.818 1.00 0.00 H new ATOM 0 HG SER A 25 4.512 -1.906 23.396 1.00 0.00 H new ATOM 375 N GLU A 26 2.913 0.599 20.747 1.00 0.00 N ATOM 376 CA GLU A 26 1.637 1.261 20.961 1.00 0.00 C ATOM 377 C GLU A 26 0.792 1.208 19.687 1.00 0.00 C ATOM 378 O GLU A 26 -0.434 1.290 19.747 1.00 0.00 O ATOM 379 CB GLU A 26 1.839 2.705 21.425 1.00 0.00 C ATOM 380 CG GLU A 26 1.347 2.894 22.861 1.00 0.00 C ATOM 381 CD GLU A 26 2.045 4.081 23.529 1.00 0.00 C ATOM 382 OE1 GLU A 26 2.096 5.147 22.879 1.00 0.00 O ATOM 383 OE2 GLU A 26 2.511 3.896 24.673 1.00 0.00 O ATOM 0 H GLU A 26 3.731 1.182 20.926 1.00 0.00 H new ATOM 0 HA GLU A 26 1.103 0.732 21.751 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.895 2.967 21.361 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.302 3.382 20.761 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.269 3.054 22.861 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.535 1.987 23.436 1.00 0.00 H new ATOM 388 N VAL A 27 1.480 1.070 18.564 1.00 0.00 N ATOM 389 CA VAL A 27 0.807 1.004 17.277 1.00 0.00 C ATOM 390 C VAL A 27 0.289 -0.416 17.049 1.00 0.00 C ATOM 391 O VAL A 27 -0.832 -0.604 16.581 1.00 0.00 O ATOM 392 CB VAL A 27 1.749 1.483 16.170 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.120 1.279 14.790 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.146 2.945 16.381 1.00 0.00 C ATOM 0 H VAL A 27 2.497 1.002 18.518 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.056 1.670 17.262 1.00 0.00 H new ATOM 0 HB VAL A 27 2.656 0.880 16.218 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.809 1.627 14.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.912 0.220 14.638 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.190 1.844 14.727 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.815 3.259 15.580 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.253 3.569 16.373 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.653 3.049 17.340 1.00 0.00 H new ATOM 404 N ALA A 28 1.131 -1.381 17.391 1.00 0.00 N ATOM 405 CA ALA A 28 0.772 -2.780 17.229 1.00 0.00 C ATOM 406 C ALA A 28 -0.235 -3.172 18.312 1.00 0.00 C ATOM 407 O ALA A 28 -0.979 -4.138 18.153 1.00 0.00 O ATOM 408 CB ALA A 28 2.037 -3.640 17.271 1.00 0.00 C ATOM 0 H ALA A 28 2.061 -1.221 17.779 1.00 0.00 H new ATOM 0 HA ALA A 28 0.297 -2.945 16.262 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.768 -4.689 17.150 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.707 -3.341 16.465 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.539 -3.503 18.229 1.00 0.00 H new ATOM 414 N ILE A 29 -0.226 -2.402 19.391 1.00 0.00 N ATOM 415 CA ILE A 29 -1.129 -2.657 20.500 1.00 0.00 C ATOM 416 C ILE A 29 -2.571 -2.441 20.038 1.00 0.00 C ATOM 417 O ILE A 29 -3.491 -3.082 20.543 1.00 0.00 O ATOM 418 CB ILE A 29 -0.739 -1.810 21.713 1.00 0.00 C ATOM 419 CG1 ILE A 29 -0.788 -2.639 22.999 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.609 -0.555 21.808 1.00 0.00 C ATOM 421 CD1 ILE A 29 -2.230 -2.829 23.474 1.00 0.00 C ATOM 0 H ILE A 29 0.393 -1.601 19.520 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.050 -3.694 20.825 1.00 0.00 H new ATOM 0 HB ILE A 29 0.291 -1.479 21.581 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.327 -3.612 22.827 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.207 -2.144 23.777 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.311 0.029 22.679 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.481 0.045 20.907 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.655 -0.844 21.906 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.237 -3.421 24.389 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.680 -1.856 23.668 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.802 -3.346 22.703 1.00 0.00 H new ATOM 432 N SER A 30 -2.723 -1.537 19.081 1.00 0.00 N ATOM 433 CA SER A 30 -4.038 -1.229 18.544 1.00 0.00 C ATOM 434 C SER A 30 -4.618 -2.460 17.844 1.00 0.00 C ATOM 435 O SER A 30 -5.833 -2.651 17.823 1.00 0.00 O ATOM 436 CB SER A 30 -3.975 -0.047 17.575 1.00 0.00 C ATOM 437 OG SER A 30 -3.079 0.965 18.026 1.00 0.00 O ATOM 0 H SER A 30 -1.957 -1.008 18.664 1.00 0.00 H new ATOM 0 HA SER A 30 -4.689 -0.949 19.372 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.659 -0.399 16.593 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.972 0.378 17.456 1.00 0.00 H new ATOM 0 HG SER A 30 -2.170 0.753 17.728 1.00 0.00 H new ATOM 442 N GLU A 31 -3.723 -3.262 17.287 1.00 0.00 N ATOM 443 CA GLU A 31 -4.131 -4.468 16.587 1.00 0.00 C ATOM 444 C GLU A 31 -4.961 -5.362 17.511 1.00 0.00 C ATOM 445 O GLU A 31 -5.777 -6.155 17.043 1.00 0.00 O ATOM 446 CB GLU A 31 -2.917 -5.221 16.040 1.00 0.00 C ATOM 447 CG GLU A 31 -2.394 -6.235 17.061 1.00 0.00 C ATOM 448 CD GLU A 31 -0.969 -6.672 16.720 1.00 0.00 C ATOM 449 OE1 GLU A 31 -0.829 -7.433 15.738 1.00 0.00 O ATOM 450 OE2 GLU A 31 -0.051 -6.235 17.448 1.00 0.00 O ATOM 0 H GLU A 31 -2.716 -3.100 17.306 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.751 -4.181 15.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.189 -5.735 15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.128 -4.512 15.789 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.414 -5.796 18.058 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.050 -7.106 17.083 1.00 0.00 H new ATOM 455 N GLU A 32 -4.724 -5.203 18.804 1.00 0.00 N ATOM 456 CA GLU A 32 -5.440 -5.986 19.797 1.00 0.00 C ATOM 457 C GLU A 32 -6.809 -5.365 20.077 1.00 0.00 C ATOM 458 O GLU A 32 -7.725 -6.049 20.533 1.00 0.00 O ATOM 459 CB GLU A 32 -4.624 -6.117 21.085 1.00 0.00 C ATOM 460 CG GLU A 32 -3.860 -7.442 21.118 1.00 0.00 C ATOM 461 CD GLU A 32 -3.544 -7.858 22.557 1.00 0.00 C ATOM 462 OE1 GLU A 32 -4.498 -8.275 23.248 1.00 0.00 O ATOM 463 OE2 GLU A 32 -2.357 -7.748 22.931 1.00 0.00 O ATOM 0 H GLU A 32 -4.047 -4.544 19.187 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.592 -6.989 19.398 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.922 -5.287 21.161 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.287 -6.054 21.948 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.451 -8.219 20.633 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.934 -7.346 20.552 1.00 0.00 H new ATOM 468 N LEU A 33 -6.907 -4.075 19.791 1.00 0.00 N ATOM 469 CA LEU A 33 -8.150 -3.353 20.006 1.00 0.00 C ATOM 470 C LEU A 33 -9.147 -3.723 18.906 1.00 0.00 C ATOM 471 O LEU A 33 -10.351 -3.785 19.149 1.00 0.00 O ATOM 472 CB LEU A 33 -7.886 -1.851 20.117 1.00 0.00 C ATOM 473 CG LEU A 33 -7.420 -1.350 21.486 1.00 0.00 C ATOM 474 CD1 LEU A 33 -8.552 -1.428 22.512 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.173 -2.105 21.951 1.00 0.00 C ATOM 0 H LEU A 33 -6.146 -3.511 19.412 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.600 -3.644 20.955 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.133 -1.579 19.377 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.800 -1.321 19.850 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.144 -0.300 21.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.195 -1.066 23.476 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.387 -0.811 22.180 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.882 -2.462 22.612 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.863 -1.730 22.926 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.399 -3.169 22.027 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.368 -1.955 21.232 1.00 0.00 H new ATOM 486 N VAL A 34 -8.608 -3.957 17.719 1.00 0.00 N ATOM 487 CA VAL A 34 -9.435 -4.318 16.579 1.00 0.00 C ATOM 488 C VAL A 34 -10.163 -5.629 16.880 1.00 0.00 C ATOM 489 O VAL A 34 -11.213 -5.907 16.301 1.00 0.00 O ATOM 490 CB VAL A 34 -8.580 -4.387 15.313 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.706 -5.642 15.308 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.452 -4.321 14.058 1.00 0.00 C ATOM 0 H VAL A 34 -7.609 -3.904 17.521 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.194 -3.556 16.401 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.920 -3.520 15.308 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.109 -5.666 14.397 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.045 -5.629 16.175 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.340 -6.527 15.349 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.819 -4.372 13.172 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.149 -5.159 14.055 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.010 -3.385 14.052 1.00 0.00 H new ATOM 502 N GLN A 35 -9.579 -6.401 17.784 1.00 0.00 N ATOM 503 CA GLN A 35 -10.159 -7.677 18.169 1.00 0.00 C ATOM 504 C GLN A 35 -11.173 -7.479 19.298 1.00 0.00 C ATOM 505 O GLN A 35 -11.956 -8.380 19.599 1.00 0.00 O ATOM 506 CB GLN A 35 -9.073 -8.674 18.574 1.00 0.00 C ATOM 507 CG GLN A 35 -9.430 -10.090 18.118 1.00 0.00 C ATOM 508 CD GLN A 35 -8.232 -11.031 18.263 1.00 0.00 C ATOM 509 OE1 GLN A 35 -7.948 -11.557 19.325 1.00 0.00 O ATOM 510 NE2 GLN A 35 -7.548 -11.212 17.136 1.00 0.00 N ATOM 0 H GLN A 35 -8.709 -6.167 18.262 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.681 -8.092 17.307 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.120 -8.377 18.136 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.945 -8.658 19.656 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.266 -10.466 18.708 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.757 -10.070 17.078 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.841 -10.740 16.280 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.731 -11.823 17.128 1.00 0.00 H new ATOM 517 N LYS A 36 -11.126 -6.296 19.892 1.00 0.00 N ATOM 518 CA LYS A 36 -12.030 -5.969 20.982 1.00 0.00 C ATOM 519 C LYS A 36 -13.390 -5.567 20.407 1.00 0.00 C ATOM 520 O LYS A 36 -14.414 -5.707 21.072 1.00 0.00 O ATOM 521 CB LYS A 36 -11.409 -4.910 21.894 1.00 0.00 C ATOM 522 CG LYS A 36 -11.671 -5.232 23.367 1.00 0.00 C ATOM 523 CD LYS A 36 -10.400 -5.731 24.054 1.00 0.00 C ATOM 524 CE LYS A 36 -10.736 -6.598 25.269 1.00 0.00 C ATOM 525 NZ LYS A 36 -9.537 -6.799 26.111 1.00 0.00 N ATOM 0 H LYS A 36 -10.476 -5.552 19.639 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.196 -6.841 21.614 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.335 -4.856 21.715 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.822 -3.930 21.653 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.039 -4.342 23.877 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.451 -5.989 23.444 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.802 -6.306 23.347 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.794 -4.881 24.366 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.523 -6.124 25.855 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.121 -7.563 24.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.784 -7.390 26.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.797 -7.272 25.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.186 -5.877 26.441 1.00 0.00 H new ATOM 535 N TYR A 37 -13.354 -5.074 19.177 1.00 0.00 N ATOM 536 CA TYR A 37 -14.571 -4.649 18.506 1.00 0.00 C ATOM 537 C TYR A 37 -15.592 -5.788 18.451 1.00 0.00 C ATOM 538 O TYR A 37 -16.796 -5.549 18.527 1.00 0.00 O ATOM 539 CB TYR A 37 -14.159 -4.281 17.080 1.00 0.00 C ATOM 540 CG TYR A 37 -14.584 -5.303 16.025 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.956 -6.530 15.960 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.597 -4.999 15.138 1.00 0.00 C ATOM 543 CE1 TYR A 37 -14.358 -7.493 14.967 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.998 -5.961 14.145 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.358 -7.160 14.108 1.00 0.00 C ATOM 546 OH TYR A 37 -15.736 -8.070 13.170 1.00 0.00 O ATOM 0 H TYR A 37 -12.502 -4.960 18.628 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.031 -3.816 19.037 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.590 -3.313 16.827 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.076 -4.167 17.044 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.163 -6.768 16.654 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.089 -4.039 15.189 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.876 -8.458 14.906 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.789 -5.735 13.445 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.600 -7.808 12.790 1.00 0.00 H new ATOM 555 N SER A 38 -15.073 -7.000 18.320 1.00 0.00 N ATOM 556 CA SER A 38 -15.924 -8.175 18.253 1.00 0.00 C ATOM 557 C SER A 38 -16.628 -8.388 19.596 1.00 0.00 C ATOM 558 O SER A 38 -17.791 -8.789 19.634 1.00 0.00 O ATOM 559 CB SER A 38 -15.118 -9.419 17.874 1.00 0.00 C ATOM 560 OG SER A 38 -15.877 -10.324 17.077 1.00 0.00 O ATOM 0 H SER A 38 -14.073 -7.193 18.258 1.00 0.00 H new ATOM 0 HA SER A 38 -16.673 -8.011 17.478 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.223 -9.119 17.329 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.785 -9.925 18.780 1.00 0.00 H new ATOM 0 HG SER A 38 -15.327 -11.104 16.854 1.00 0.00 H new ATOM 565 N ASN A 39 -15.894 -8.110 20.663 1.00 0.00 N ATOM 566 CA ASN A 39 -16.433 -8.266 22.003 1.00 0.00 C ATOM 567 C ASN A 39 -17.233 -7.016 22.375 1.00 0.00 C ATOM 568 O ASN A 39 -18.410 -7.107 22.722 1.00 0.00 O ATOM 569 CB ASN A 39 -15.313 -8.435 23.032 1.00 0.00 C ATOM 570 CG ASN A 39 -15.590 -9.622 23.955 1.00 0.00 C ATOM 571 OD1 ASN A 39 -16.240 -10.588 23.589 1.00 0.00 O ATOM 572 ND2 ASN A 39 -15.064 -9.496 25.170 1.00 0.00 N ATOM 0 H ASN A 39 -14.930 -7.778 20.627 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.066 -9.154 22.010 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.363 -8.583 22.519 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.218 -7.524 23.624 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.194 -10.235 25.861 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.531 -8.661 25.411 1.00 0.00 H new ATOM 578 N SER A 40 -16.562 -5.877 22.290 1.00 0.00 N ATOM 579 CA SER A 40 -17.195 -4.609 22.614 1.00 0.00 C ATOM 580 C SER A 40 -18.577 -4.533 21.961 1.00 0.00 C ATOM 581 O SER A 40 -19.466 -3.846 22.461 1.00 0.00 O ATOM 582 CB SER A 40 -16.330 -3.431 22.165 1.00 0.00 C ATOM 583 OG SER A 40 -15.254 -3.183 23.067 1.00 0.00 O ATOM 0 H SER A 40 -15.586 -5.805 22.001 1.00 0.00 H new ATOM 0 HA SER A 40 -17.308 -4.549 23.697 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.930 -3.633 21.171 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.949 -2.537 22.084 1.00 0.00 H new ATOM 0 HG SER A 40 -14.463 -2.899 22.563 1.00 0.00 H new ATOM 588 N ALA A 41 -18.713 -5.248 20.854 1.00 0.00 N ATOM 589 CA ALA A 41 -19.971 -5.270 20.127 1.00 0.00 C ATOM 590 C ALA A 41 -21.115 -5.546 21.105 1.00 0.00 C ATOM 591 O ALA A 41 -21.653 -4.622 21.714 1.00 0.00 O ATOM 592 CB ALA A 41 -19.896 -6.309 19.008 1.00 0.00 C ATOM 0 H ALA A 41 -17.973 -5.817 20.443 1.00 0.00 H new ATOM 0 HA ALA A 41 -20.162 -4.303 19.661 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.840 -6.325 18.463 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -19.087 -6.050 18.325 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.708 -7.293 19.437 1.00 0.00 H new ATOM 598 N LEU A 42 -21.453 -6.821 21.225 1.00 0.00 N ATOM 599 CA LEU A 42 -22.523 -7.231 22.118 1.00 0.00 C ATOM 600 C LEU A 42 -23.588 -6.133 22.169 1.00 0.00 C ATOM 601 O LEU A 42 -24.099 -5.809 23.240 1.00 0.00 O ATOM 602 CB LEU A 42 -21.961 -7.608 23.490 1.00 0.00 C ATOM 603 CG LEU A 42 -21.811 -9.106 23.766 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.360 -9.459 24.097 1.00 0.00 C ATOM 605 CD2 LEU A 42 -22.777 -9.561 24.861 1.00 0.00 C ATOM 0 H LEU A 42 -21.004 -7.584 20.718 1.00 0.00 H new ATOM 0 HA LEU A 42 -23.010 -8.130 21.741 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.984 -7.139 23.601 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.609 -7.181 24.256 1.00 0.00 H new ATOM 0 HG LEU A 42 -22.075 -9.649 22.859 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.281 -10.529 24.289 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.720 -9.193 23.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -20.044 -8.907 24.982 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -22.650 -10.629 25.038 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -22.569 -9.014 25.780 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.802 -9.365 24.546 1.00 0.00 H new ATOM 616 N GLY A 43 -23.891 -5.591 20.998 1.00 0.00 N ATOM 617 CA GLY A 43 -24.885 -4.536 20.896 1.00 0.00 C ATOM 618 C GLY A 43 -24.587 -3.616 19.712 1.00 0.00 C ATOM 619 O GLY A 43 -25.201 -3.743 18.652 1.00 0.00 O ATOM 0 H GLY A 43 -23.465 -5.863 20.112 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -25.876 -4.975 20.780 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.900 -3.955 21.818 1.00 0.00 H new ATOM 623 N HIS A 44 -23.646 -2.709 19.930 1.00 0.00 N ATOM 624 CA HIS A 44 -23.260 -1.767 18.892 1.00 0.00 C ATOM 625 C HIS A 44 -22.210 -0.799 19.443 1.00 0.00 C ATOM 626 O HIS A 44 -22.363 0.416 19.332 1.00 0.00 O ATOM 627 CB HIS A 44 -24.488 -1.051 18.325 1.00 0.00 C ATOM 628 CG HIS A 44 -24.952 -1.589 16.993 1.00 0.00 C ATOM 629 ND1 HIS A 44 -26.191 -2.178 16.814 1.00 0.00 N ATOM 630 CD2 HIS A 44 -24.332 -1.620 15.778 1.00 0.00 C ATOM 631 CE1 HIS A 44 -26.301 -2.545 15.545 1.00 0.00 C ATOM 632 NE2 HIS A 44 -25.147 -2.198 14.905 1.00 0.00 N ATOM 0 H HIS A 44 -23.140 -2.606 20.809 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.807 -2.303 18.058 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -25.305 -1.130 19.042 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -24.260 0.009 18.217 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -23.345 -1.239 15.563 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -27.154 -3.033 15.097 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -24.944 -2.357 13.918 1.00 0.00 H new ATOM 640 N VAL A 45 -21.168 -1.375 20.023 1.00 0.00 N ATOM 641 CA VAL A 45 -20.093 -0.580 20.591 1.00 0.00 C ATOM 642 C VAL A 45 -18.834 -0.747 19.737 1.00 0.00 C ATOM 643 O VAL A 45 -17.962 0.119 19.735 1.00 0.00 O ATOM 644 CB VAL A 45 -19.877 -0.962 22.057 1.00 0.00 C ATOM 645 CG1 VAL A 45 -19.374 0.234 22.868 1.00 0.00 C ATOM 646 CG2 VAL A 45 -21.155 -1.539 22.667 1.00 0.00 C ATOM 0 H VAL A 45 -21.045 -2.384 20.112 1.00 0.00 H new ATOM 0 HA VAL A 45 -20.354 0.478 20.580 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.110 -1.736 22.091 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -19.229 -0.065 23.906 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -18.427 0.581 22.455 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -20.107 1.039 22.822 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -20.974 -1.802 23.709 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -21.951 -0.797 22.613 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.452 -2.430 22.114 1.00 0.00 H new ATOM 656 N ASN A 46 -18.780 -1.869 19.034 1.00 0.00 N ATOM 657 CA ASN A 46 -17.643 -2.162 18.178 1.00 0.00 C ATOM 658 C ASN A 46 -17.424 -0.995 17.213 1.00 0.00 C ATOM 659 O ASN A 46 -16.292 -0.712 16.822 1.00 0.00 O ATOM 660 CB ASN A 46 -17.889 -3.423 17.348 1.00 0.00 C ATOM 661 CG ASN A 46 -18.861 -3.143 16.200 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.624 -2.308 15.342 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.963 -3.886 16.231 1.00 0.00 N ATOM 0 H ASN A 46 -19.505 -2.586 19.040 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.771 -2.314 18.814 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.944 -3.789 16.948 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -18.291 -4.210 17.986 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.673 -3.775 15.507 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -20.098 -4.567 16.978 1.00 0.00 H new ATOM 669 N CYS A 47 -18.524 -0.350 16.855 1.00 0.00 N ATOM 670 CA CYS A 47 -18.467 0.780 15.942 1.00 0.00 C ATOM 671 C CYS A 47 -17.979 2.002 16.722 1.00 0.00 C ATOM 672 O CYS A 47 -17.437 2.940 16.138 1.00 0.00 O ATOM 673 CB CYS A 47 -19.817 1.032 15.269 1.00 0.00 C ATOM 674 SG CYS A 47 -21.131 1.174 16.535 1.00 0.00 S ATOM 0 H CYS A 47 -19.461 -0.588 17.181 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.769 0.564 15.134 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.772 1.945 14.676 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -20.048 0.217 14.583 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.699 1.889 17.531 1.00 0.00 H new ATOM 679 N THR A 48 -18.191 1.954 18.029 1.00 0.00 N ATOM 680 CA THR A 48 -17.781 3.047 18.894 1.00 0.00 C ATOM 681 C THR A 48 -16.326 2.863 19.332 1.00 0.00 C ATOM 682 O THR A 48 -15.565 3.827 19.391 1.00 0.00 O ATOM 683 CB THR A 48 -18.762 3.117 20.065 1.00 0.00 C ATOM 684 OG1 THR A 48 -20.045 3.124 19.442 1.00 0.00 O ATOM 685 CG2 THR A 48 -18.699 4.456 20.802 1.00 0.00 C ATOM 0 H THR A 48 -18.641 1.175 18.510 1.00 0.00 H new ATOM 0 HA THR A 48 -17.812 4.001 18.367 1.00 0.00 H new ATOM 0 HB THR A 48 -18.552 2.308 20.764 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.742 3.166 20.129 1.00 0.00 H new ATOM 0 HG21 THR A 48 -19.415 4.453 21.624 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.694 4.607 21.197 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.943 5.263 20.111 1.00 0.00 H new ATOM 693 N ILE A 49 -15.983 1.618 19.626 1.00 0.00 N ATOM 694 CA ILE A 49 -14.633 1.294 20.056 1.00 0.00 C ATOM 695 C ILE A 49 -13.680 1.421 18.866 1.00 0.00 C ATOM 696 O ILE A 49 -12.567 1.925 19.009 1.00 0.00 O ATOM 697 CB ILE A 49 -14.599 -0.079 20.729 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.800 -1.197 19.703 1.00 0.00 C ATOM 699 CG2 ILE A 49 -15.617 -0.157 21.869 1.00 0.00 C ATOM 700 CD1 ILE A 49 -13.460 -1.673 19.141 1.00 0.00 C ATOM 0 H ILE A 49 -16.617 0.821 19.575 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.294 2.001 20.813 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.612 -0.219 21.170 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.321 -2.034 20.169 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -15.433 -0.840 18.891 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -15.572 -1.144 22.330 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -15.387 0.603 22.615 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -16.619 0.014 21.475 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.632 -2.467 18.415 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.953 -0.840 18.655 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.839 -2.052 19.953 1.00 0.00 H new ATOM 711 N LYS A 50 -14.150 0.953 17.720 1.00 0.00 N ATOM 712 CA LYS A 50 -13.353 1.008 16.506 1.00 0.00 C ATOM 713 C LYS A 50 -12.821 2.429 16.314 1.00 0.00 C ATOM 714 O LYS A 50 -11.611 2.638 16.237 1.00 0.00 O ATOM 715 CB LYS A 50 -14.156 0.485 15.313 1.00 0.00 C ATOM 716 CG LYS A 50 -14.218 -1.043 15.321 1.00 0.00 C ATOM 717 CD LYS A 50 -12.987 -1.645 14.641 1.00 0.00 C ATOM 718 CE LYS A 50 -11.982 -2.152 15.678 1.00 0.00 C ATOM 719 NZ LYS A 50 -10.650 -1.551 15.445 1.00 0.00 N ATOM 0 H LYS A 50 -15.073 0.534 17.606 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.487 0.352 16.589 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -15.166 0.894 15.343 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.700 0.829 14.385 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.283 -1.403 16.348 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.120 -1.377 14.809 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.291 -2.466 13.992 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.514 -0.895 14.007 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.329 -1.904 16.681 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.912 -3.238 15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.988 -1.879 16.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.299 -1.836 14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.725 -0.514 15.485 1.00 0.00 H new ATOM 729 N GLU A 51 -13.751 3.370 16.240 1.00 0.00 N ATOM 730 CA GLU A 51 -13.390 4.766 16.057 1.00 0.00 C ATOM 731 C GLU A 51 -12.381 5.197 17.124 1.00 0.00 C ATOM 732 O GLU A 51 -11.687 6.199 16.958 1.00 0.00 O ATOM 733 CB GLU A 51 -14.631 5.660 16.084 1.00 0.00 C ATOM 734 CG GLU A 51 -14.462 6.859 15.149 1.00 0.00 C ATOM 735 CD GLU A 51 -14.937 8.150 15.821 1.00 0.00 C ATOM 736 OE1 GLU A 51 -14.639 8.305 17.025 1.00 0.00 O ATOM 737 OE2 GLU A 51 -15.587 8.951 15.115 1.00 0.00 O ATOM 0 H GLU A 51 -14.754 3.193 16.303 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.924 4.876 15.078 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.506 5.083 15.786 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.810 6.009 17.101 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.415 6.957 14.864 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.028 6.692 14.232 1.00 0.00 H new ATOM 742 N LEU A 52 -12.331 4.419 18.195 1.00 0.00 N ATOM 743 CA LEU A 52 -11.418 4.708 19.288 1.00 0.00 C ATOM 744 C LEU A 52 -10.126 3.912 19.091 1.00 0.00 C ATOM 745 O LEU A 52 -9.049 4.368 19.470 1.00 0.00 O ATOM 746 CB LEU A 52 -12.098 4.453 20.635 1.00 0.00 C ATOM 747 CG LEU A 52 -11.968 5.571 21.672 1.00 0.00 C ATOM 748 CD1 LEU A 52 -10.500 5.841 22.007 1.00 0.00 C ATOM 749 CD2 LEU A 52 -12.694 6.836 21.209 1.00 0.00 C ATOM 0 H LEU A 52 -12.908 3.589 18.329 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.146 5.763 19.289 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -13.158 4.271 20.456 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.685 3.539 21.061 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.452 5.242 22.592 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.436 6.640 22.746 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.047 4.936 22.411 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.970 6.140 21.103 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.586 7.615 21.964 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.262 7.180 20.269 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.752 6.616 21.064 1.00 0.00 H new ATOM 760 N ARG A 53 -10.278 2.735 18.501 1.00 0.00 N ATOM 761 CA ARG A 53 -9.137 1.872 18.249 1.00 0.00 C ATOM 762 C ARG A 53 -8.300 2.421 17.093 1.00 0.00 C ATOM 763 O ARG A 53 -7.178 2.880 17.297 1.00 0.00 O ATOM 764 CB ARG A 53 -9.587 0.448 17.914 1.00 0.00 C ATOM 765 CG ARG A 53 -8.390 -0.433 17.552 1.00 0.00 C ATOM 766 CD ARG A 53 -8.114 -0.391 16.047 1.00 0.00 C ATOM 767 NE ARG A 53 -6.859 0.348 15.783 1.00 0.00 N ATOM 768 CZ ARG A 53 -6.120 0.203 14.675 1.00 0.00 C ATOM 769 NH1 ARG A 53 -6.506 -0.654 13.721 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.997 0.916 14.521 1.00 0.00 N ATOM 0 H ARG A 53 -11.174 2.359 18.190 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.534 1.846 19.157 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.114 0.019 18.766 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.291 0.471 17.082 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.508 -0.096 18.097 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.583 -1.460 17.862 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.038 -1.405 15.654 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.944 0.090 15.530 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.536 1.009 16.489 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.362 -1.196 13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.944 -0.765 12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.704 1.570 15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.434 0.806 13.677 1.00 0.00 H new ATOM 781 N ARG A 54 -8.880 2.356 15.903 1.00 0.00 N ATOM 782 CA ARG A 54 -8.201 2.841 14.713 1.00 0.00 C ATOM 783 C ARG A 54 -8.605 4.288 14.424 1.00 0.00 C ATOM 784 O ARG A 54 -7.754 5.130 14.144 1.00 0.00 O ATOM 785 CB ARG A 54 -8.533 1.973 13.497 1.00 0.00 C ATOM 786 CG ARG A 54 -7.911 2.551 12.225 1.00 0.00 C ATOM 787 CD ARG A 54 -6.401 2.302 12.190 1.00 0.00 C ATOM 788 NE ARG A 54 -5.708 3.279 13.058 1.00 0.00 N ATOM 789 CZ ARG A 54 -4.375 3.391 13.148 1.00 0.00 C ATOM 790 NH1 ARG A 54 -3.585 2.586 12.425 1.00 0.00 N ATOM 791 NH2 ARG A 54 -3.833 4.307 13.962 1.00 0.00 N ATOM 0 H ARG A 54 -9.812 1.975 15.738 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.128 2.790 14.899 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.165 0.960 13.658 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.614 1.905 13.379 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.378 2.099 11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.108 3.622 12.174 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.183 1.288 12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.034 2.387 11.167 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.280 3.907 13.623 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.998 1.888 11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.571 2.671 12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.435 4.919 14.513 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.819 4.392 14.030 1.00 0.00 H new ATOM 802 N LEU A 55 -9.905 4.532 14.501 1.00 0.00 N ATOM 803 CA LEU A 55 -10.433 5.863 14.252 1.00 0.00 C ATOM 804 C LEU A 55 -10.762 6.005 12.765 1.00 0.00 C ATOM 805 O LEU A 55 -10.790 7.115 12.235 1.00 0.00 O ATOM 806 CB LEU A 55 -9.466 6.929 14.772 1.00 0.00 C ATOM 807 CG LEU A 55 -10.096 8.261 15.183 1.00 0.00 C ATOM 808 CD1 LEU A 55 -9.809 8.573 16.654 1.00 0.00 C ATOM 809 CD2 LEU A 55 -9.639 9.392 14.258 1.00 0.00 C ATOM 0 H LEU A 55 -10.608 3.831 14.732 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.362 6.014 14.801 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.934 6.521 15.631 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.722 7.124 14.000 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.177 8.174 15.077 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.268 9.525 16.920 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.222 7.783 17.281 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.732 8.633 16.810 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.101 10.328 14.572 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.554 9.488 14.309 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.936 9.167 13.234 1.00 0.00 H new ATOM 820 N PHE A 56 -11.004 4.866 12.133 1.00 0.00 N ATOM 821 CA PHE A 56 -11.330 4.850 10.717 1.00 0.00 C ATOM 822 C PHE A 56 -12.016 3.539 10.328 1.00 0.00 C ATOM 823 O PHE A 56 -12.988 3.543 9.574 1.00 0.00 O ATOM 824 CB PHE A 56 -10.011 4.969 9.952 1.00 0.00 C ATOM 825 CG PHE A 56 -10.107 5.798 8.670 1.00 0.00 C ATOM 826 CD1 PHE A 56 -10.248 7.148 8.743 1.00 0.00 C ATOM 827 CD2 PHE A 56 -10.051 5.185 7.458 1.00 0.00 C ATOM 828 CE1 PHE A 56 -10.338 7.919 7.553 1.00 0.00 C ATOM 829 CE2 PHE A 56 -10.141 5.954 6.268 1.00 0.00 C ATOM 830 CZ PHE A 56 -10.283 7.305 6.341 1.00 0.00 C ATOM 0 H PHE A 56 -10.981 3.947 12.576 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.010 5.669 10.483 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.263 5.416 10.606 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -9.658 3.969 9.700 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.292 7.635 9.706 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -9.938 4.112 7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.450 8.992 7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.097 5.467 5.305 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.352 7.890 5.436 1.00 0.00 H new ATOM 839 N LEU A 57 -11.482 2.449 10.858 1.00 0.00 N ATOM 840 CA LEU A 57 -12.029 1.133 10.576 1.00 0.00 C ATOM 841 C LEU A 57 -13.553 1.182 10.703 1.00 0.00 C ATOM 842 O LEU A 57 -14.270 0.924 9.737 1.00 0.00 O ATOM 843 CB LEU A 57 -11.371 0.075 11.464 1.00 0.00 C ATOM 844 CG LEU A 57 -11.383 -1.356 10.925 1.00 0.00 C ATOM 845 CD1 LEU A 57 -9.974 -1.806 10.535 1.00 0.00 C ATOM 846 CD2 LEU A 57 -12.035 -2.313 11.925 1.00 0.00 C ATOM 0 H LEU A 57 -10.675 2.450 11.482 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.803 0.839 9.551 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.335 0.368 11.637 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.870 0.081 12.433 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.989 -1.375 10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.010 -2.827 10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.582 -1.145 9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.325 -1.767 11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.031 -3.324 11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.477 -2.297 12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.063 -2.001 12.110 1.00 0.00 H new ATOM 857 N VAL A 58 -14.004 1.514 11.904 1.00 0.00 N ATOM 858 CA VAL A 58 -15.431 1.599 12.170 1.00 0.00 C ATOM 859 C VAL A 58 -16.059 0.215 12.006 1.00 0.00 C ATOM 860 O VAL A 58 -16.233 -0.265 10.888 1.00 0.00 O ATOM 861 CB VAL A 58 -16.069 2.657 11.266 1.00 0.00 C ATOM 862 CG1 VAL A 58 -17.594 2.623 11.377 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.526 4.051 11.586 1.00 0.00 C ATOM 0 H VAL A 58 -13.407 1.727 12.703 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.610 1.917 13.197 1.00 0.00 H new ATOM 0 HB VAL A 58 -15.803 2.423 10.235 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.023 3.384 10.725 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -17.959 1.641 11.077 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.888 2.820 12.408 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.995 4.784 10.930 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.748 4.299 12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.447 4.065 11.433 1.00 0.00 H new ATOM 873 N ASP A 59 -16.383 -0.391 13.141 1.00 0.00 N ATOM 874 CA ASP A 59 -16.990 -1.710 13.138 1.00 0.00 C ATOM 875 C ASP A 59 -16.307 -2.578 12.079 1.00 0.00 C ATOM 876 O ASP A 59 -16.717 -2.590 10.920 1.00 0.00 O ATOM 877 CB ASP A 59 -18.479 -1.633 12.795 1.00 0.00 C ATOM 878 CG ASP A 59 -19.183 -2.984 12.658 1.00 0.00 C ATOM 879 OD1 ASP A 59 -18.465 -3.974 12.399 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.423 -2.997 12.817 1.00 0.00 O ATOM 0 H ASP A 59 -16.236 0.009 14.068 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.871 -2.137 14.134 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.985 -1.054 13.568 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.593 -1.085 11.860 1.00 0.00 H new ATOM 884 N ASP A 60 -15.273 -3.285 12.515 1.00 0.00 N ATOM 885 CA ASP A 60 -14.529 -4.153 11.620 1.00 0.00 C ATOM 886 C ASP A 60 -14.107 -3.361 10.381 1.00 0.00 C ATOM 887 O ASP A 60 -14.462 -2.192 10.238 1.00 0.00 O ATOM 888 CB ASP A 60 -15.386 -5.332 11.156 1.00 0.00 C ATOM 889 CG ASP A 60 -14.987 -5.931 9.807 1.00 0.00 C ATOM 890 OD1 ASP A 60 -15.076 -5.187 8.807 1.00 0.00 O ATOM 891 OD2 ASP A 60 -14.602 -7.121 9.805 1.00 0.00 O ATOM 0 H ASP A 60 -14.934 -3.273 13.477 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.661 -4.529 12.161 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.339 -6.115 11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.425 -5.006 11.099 1.00 0.00 H new