USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 15 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-6.5!) USER MOD Set 1.2: A 20 SER OG : rot -146:sc= 0.0509 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 141:sc= -1.67 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 13 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.013) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.603 (180deg=-1.14) USER MOD Single : A 21 THR OG1 : rot 50:sc= -0.406! USER MOD Single : A 26 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.29) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 33 THR OG1 : rot -80:sc= -0.125 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.57) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 145:sc= 1.64 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -92:sc= 0.0517 USER MOD Single : A 80 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-6.4!) USER MOD Single : A 85 SER OG : rot -14:sc= 0.399 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.497 (180deg=-2.52!) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -2.51 (180deg=-2.51) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -4.79! (180deg=-4.79!) USER MOD Single : A 95 HEM CMD :methyl 150:sc=-0.00289 (180deg=-0.00289) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.870 12.635 -27.278 1.00 0.00 N ATOM 2 CA VAL A 4 14.428 13.610 -26.296 1.00 0.00 C ATOM 3 C VAL A 4 15.599 13.972 -25.381 1.00 0.00 C ATOM 4 O VAL A 4 16.580 13.236 -25.302 1.00 0.00 O ATOM 5 CB VAL A 4 13.216 13.071 -25.532 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.548 12.868 -24.052 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.006 13.992 -25.703 1.00 0.00 C ATOM 0 HA VAL A 4 14.104 14.527 -26.787 1.00 0.00 H new ATOM 0 HB VAL A 4 12.958 12.099 -25.953 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.670 12.485 -23.532 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.367 12.155 -23.957 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.844 13.820 -23.612 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.159 13.586 -25.150 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.247 14.984 -25.321 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.749 14.063 -26.760 1.00 0.00 H new ATOM 17 N LYS A 5 15.457 15.108 -24.713 1.00 0.00 N ATOM 18 CA LYS A 5 16.491 15.577 -23.806 1.00 0.00 C ATOM 19 C LYS A 5 16.308 14.910 -22.441 1.00 0.00 C ATOM 20 O LYS A 5 15.188 14.806 -21.943 1.00 0.00 O ATOM 21 CB LYS A 5 16.498 17.107 -23.747 1.00 0.00 C ATOM 22 CG LYS A 5 17.893 17.659 -24.048 1.00 0.00 C ATOM 23 CD LYS A 5 17.915 18.389 -25.392 1.00 0.00 C ATOM 24 CE LYS A 5 18.528 17.508 -26.484 1.00 0.00 C ATOM 25 NZ LYS A 5 17.475 16.732 -27.176 1.00 0.00 N ATOM 0 H LYS A 5 14.642 15.717 -24.782 1.00 0.00 H new ATOM 0 HA LYS A 5 17.477 15.290 -24.172 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.782 17.506 -24.466 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.177 17.438 -22.759 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.197 18.341 -23.254 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.616 16.843 -24.061 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.900 18.671 -25.674 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.488 19.312 -25.300 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.062 18.129 -27.203 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.259 16.829 -26.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.908 16.140 -27.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.983 16.125 -26.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.793 17.385 -27.612 1.00 0.00 H new ATOM 39 N TYR A 6 17.424 14.476 -21.875 1.00 0.00 N ATOM 40 CA TYR A 6 17.400 13.823 -20.578 1.00 0.00 C ATOM 41 C TYR A 6 17.647 14.829 -19.452 1.00 0.00 C ATOM 42 O TYR A 6 18.794 15.128 -19.123 1.00 0.00 O ATOM 43 CB TYR A 6 18.544 12.805 -20.597 1.00 0.00 C ATOM 44 CG TYR A 6 18.266 11.573 -21.460 1.00 0.00 C ATOM 45 CD1 TYR A 6 17.043 10.938 -21.382 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.238 11.096 -22.315 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.781 9.778 -22.193 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.976 9.935 -23.126 1.00 0.00 C ATOM 49 CZ TYR A 6 17.761 9.333 -23.025 1.00 0.00 C ATOM 50 OH TYR A 6 17.514 8.237 -23.792 1.00 0.00 O ATOM 0 H TYR A 6 18.351 14.564 -22.291 1.00 0.00 H new ATOM 0 HA TYR A 6 16.430 13.359 -20.400 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.447 13.295 -20.962 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.747 12.482 -19.576 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.282 11.312 -20.712 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.195 11.593 -22.376 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.828 9.272 -22.142 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.728 9.551 -23.799 1.00 0.00 H new ATOM 0 HH TYR A 6 18.303 8.035 -24.337 1.00 0.00 H new ATOM 60 N TYR A 7 16.553 15.322 -18.893 1.00 0.00 N ATOM 61 CA TYR A 7 16.636 16.289 -17.811 1.00 0.00 C ATOM 62 C TYR A 7 16.301 15.638 -16.467 1.00 0.00 C ATOM 63 O TYR A 7 15.281 14.963 -16.338 1.00 0.00 O ATOM 64 CB TYR A 7 15.588 17.360 -18.120 1.00 0.00 C ATOM 65 CG TYR A 7 14.691 17.026 -19.314 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.644 16.139 -19.163 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.927 17.612 -20.540 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.799 15.824 -20.287 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.083 17.298 -21.663 1.00 0.00 C ATOM 70 CZ TYR A 7 13.060 16.419 -21.482 1.00 0.00 C ATOM 71 OH TYR A 7 12.263 16.123 -22.543 1.00 0.00 O ATOM 0 H TYR A 7 15.604 15.070 -19.168 1.00 0.00 H new ATOM 0 HA TYR A 7 17.644 16.699 -17.739 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.963 17.507 -17.239 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.095 18.305 -18.313 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.458 15.681 -18.203 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.745 18.307 -20.658 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.977 15.131 -20.183 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.258 17.750 -22.628 1.00 0.00 H new ATOM 0 HH TYR A 7 12.104 16.934 -23.069 1.00 0.00 H new ATOM 81 N THR A 8 17.180 15.862 -15.501 1.00 0.00 N ATOM 82 CA THR A 8 16.990 15.306 -14.173 1.00 0.00 C ATOM 83 C THR A 8 15.932 16.102 -13.408 1.00 0.00 C ATOM 84 O THR A 8 15.640 17.246 -13.752 1.00 0.00 O ATOM 85 CB THR A 8 18.352 15.278 -13.474 1.00 0.00 C ATOM 86 OG1 THR A 8 18.674 16.653 -13.285 1.00 0.00 O ATOM 87 CG2 THR A 8 19.466 14.754 -14.383 1.00 0.00 C ATOM 0 H THR A 8 18.026 16.421 -15.612 1.00 0.00 H new ATOM 0 HA THR A 8 16.611 14.285 -14.222 1.00 0.00 H new ATOM 0 HB THR A 8 18.289 14.655 -12.582 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.542 16.727 -12.836 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.410 14.755 -13.839 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.230 13.738 -14.699 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.552 15.396 -15.260 1.00 0.00 H new ATOM 95 N LEU A 9 15.385 15.464 -12.382 1.00 0.00 N ATOM 96 CA LEU A 9 14.364 16.098 -11.565 1.00 0.00 C ATOM 97 C LEU A 9 14.675 17.591 -11.436 1.00 0.00 C ATOM 98 O LEU A 9 13.775 18.426 -11.512 1.00 0.00 O ATOM 99 CB LEU A 9 14.229 15.379 -10.222 1.00 0.00 C ATOM 100 CG LEU A 9 13.488 14.041 -10.249 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.787 13.273 -11.537 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.803 13.213 -9.001 1.00 0.00 C ATOM 0 H LEU A 9 15.630 14.515 -12.099 1.00 0.00 H new ATOM 0 HA LEU A 9 13.388 16.015 -12.043 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.228 15.210 -9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.714 16.043 -9.527 1.00 0.00 H new ATOM 0 HG LEU A 9 12.417 14.245 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.247 12.326 -11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.469 13.865 -12.396 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.858 13.080 -11.605 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.263 12.267 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.874 13.018 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.496 13.764 -8.112 1.00 0.00 H new ATOM 114 N GLU A 10 15.952 17.881 -11.240 1.00 0.00 N ATOM 115 CA GLU A 10 16.394 19.258 -11.098 1.00 0.00 C ATOM 116 C GLU A 10 15.616 20.166 -12.053 1.00 0.00 C ATOM 117 O GLU A 10 15.430 21.350 -11.776 1.00 0.00 O ATOM 118 CB GLU A 10 17.900 19.378 -11.334 1.00 0.00 C ATOM 119 CG GLU A 10 18.333 20.845 -11.386 1.00 0.00 C ATOM 120 CD GLU A 10 19.822 20.967 -11.712 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.299 20.129 -12.508 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.450 21.897 -11.159 1.00 0.00 O ATOM 0 H GLU A 10 16.696 17.186 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 10 16.193 19.580 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.438 18.864 -10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.166 18.884 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.748 21.374 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.127 21.323 -10.428 1.00 0.00 H new ATOM 129 N GLU A 11 15.181 19.576 -13.157 1.00 0.00 N ATOM 130 CA GLU A 11 14.427 20.316 -14.154 1.00 0.00 C ATOM 131 C GLU A 11 12.925 20.129 -13.931 1.00 0.00 C ATOM 132 O GLU A 11 12.182 21.104 -13.830 1.00 0.00 O ATOM 133 CB GLU A 11 14.828 19.894 -15.569 1.00 0.00 C ATOM 134 CG GLU A 11 13.594 19.670 -16.445 1.00 0.00 C ATOM 135 CD GLU A 11 13.970 19.646 -17.928 1.00 0.00 C ATOM 136 OE1 GLU A 11 15.031 20.224 -18.254 1.00 0.00 O ATOM 137 OE2 GLU A 11 13.190 19.051 -18.702 1.00 0.00 O ATOM 0 H GLU A 11 15.337 18.594 -13.383 1.00 0.00 H new ATOM 0 HA GLU A 11 14.661 21.375 -14.046 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.461 20.661 -16.015 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.419 18.979 -15.526 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.116 18.729 -16.172 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.867 20.461 -16.264 1.00 0.00 H new ATOM 144 N ILE A 12 12.523 18.869 -13.861 1.00 0.00 N ATOM 145 CA ILE A 12 11.123 18.541 -13.652 1.00 0.00 C ATOM 146 C ILE A 12 10.611 19.276 -12.411 1.00 0.00 C ATOM 147 O ILE A 12 9.455 19.692 -12.364 1.00 0.00 O ATOM 148 CB ILE A 12 10.930 17.025 -13.592 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.295 16.371 -14.927 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.509 16.668 -13.150 1.00 0.00 C ATOM 151 CD1 ILE A 12 10.970 14.877 -14.913 1.00 0.00 C ATOM 0 H ILE A 12 13.142 18.063 -13.945 1.00 0.00 H new ATOM 0 HA ILE A 12 10.523 18.882 -14.495 1.00 0.00 H new ATOM 0 HB ILE A 12 11.611 16.626 -12.840 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.750 16.858 -15.735 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.357 16.514 -15.128 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.400 15.584 -13.116 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.321 17.083 -12.160 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.792 17.083 -13.859 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.239 14.437 -15.873 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.536 14.389 -14.119 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.903 14.738 -14.737 1.00 0.00 H new ATOM 163 N GLN A 13 11.498 19.410 -11.436 1.00 0.00 N ATOM 164 CA GLN A 13 11.150 20.088 -10.198 1.00 0.00 C ATOM 165 C GLN A 13 11.263 21.603 -10.372 1.00 0.00 C ATOM 166 O GLN A 13 10.633 22.365 -9.639 1.00 0.00 O ATOM 167 CB GLN A 13 12.028 19.602 -9.043 1.00 0.00 C ATOM 168 CG GLN A 13 13.513 19.766 -9.375 1.00 0.00 C ATOM 169 CD GLN A 13 14.225 20.602 -8.309 1.00 0.00 C ATOM 170 OE1 GLN A 13 14.532 20.139 -7.223 1.00 0.00 O ATOM 171 NE2 GLN A 13 14.466 21.857 -8.679 1.00 0.00 N ATOM 0 H GLN A 13 12.456 19.061 -11.478 1.00 0.00 H new ATOM 0 HA GLN A 13 10.116 19.847 -9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.790 20.163 -8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.812 18.554 -8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.983 18.785 -9.447 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.621 20.244 -10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.182 22.179 -9.604 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.935 22.497 -8.038 1.00 0.00 H new ATOM 180 N LYS A 14 12.071 21.998 -11.346 1.00 0.00 N ATOM 181 CA LYS A 14 12.274 23.408 -11.625 1.00 0.00 C ATOM 182 C LYS A 14 11.044 23.963 -12.345 1.00 0.00 C ATOM 183 O LYS A 14 10.872 25.178 -12.441 1.00 0.00 O ATOM 184 CB LYS A 14 13.582 23.619 -12.391 1.00 0.00 C ATOM 185 CG LYS A 14 14.620 24.329 -11.518 1.00 0.00 C ATOM 186 CD LYS A 14 15.303 25.460 -12.289 1.00 0.00 C ATOM 187 CE LYS A 14 15.368 26.736 -11.446 1.00 0.00 C ATOM 188 NZ LYS A 14 15.511 27.925 -12.317 1.00 0.00 N ATOM 0 H LYS A 14 12.593 21.364 -11.952 1.00 0.00 H new ATOM 0 HA LYS A 14 12.381 23.969 -10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.975 22.657 -12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.391 24.208 -13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.137 24.731 -10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.368 23.612 -11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.310 25.155 -12.573 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.758 25.657 -13.212 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.465 26.827 -10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.209 26.680 -10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.554 28.782 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.385 27.844 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.695 27.985 -12.959 1.00 0.00 H new ATOM 202 N HIS A 15 10.219 23.047 -12.832 1.00 0.00 N ATOM 203 CA HIS A 15 9.009 23.431 -13.540 1.00 0.00 C ATOM 204 C HIS A 15 7.784 22.945 -12.762 1.00 0.00 C ATOM 205 O HIS A 15 6.935 22.244 -13.310 1.00 0.00 O ATOM 206 CB HIS A 15 9.038 22.919 -14.981 1.00 0.00 C ATOM 207 CG HIS A 15 10.238 23.381 -15.772 1.00 0.00 C ATOM 208 ND1 HIS A 15 10.144 23.856 -17.070 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.560 23.438 -15.437 1.00 0.00 C ATOM 210 CE1 HIS A 15 11.360 24.179 -17.486 1.00 0.00 C ATOM 211 NE2 HIS A 15 12.235 23.919 -16.473 1.00 0.00 N ATOM 0 H HIS A 15 10.365 22.041 -12.750 1.00 0.00 H new ATOM 0 HA HIS A 15 8.949 24.517 -13.603 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.021 21.829 -14.969 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.132 23.246 -15.491 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.985 23.142 -14.489 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.614 24.578 -18.457 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.243 24.070 -16.506 1.00 0.00 H new ATOM 219 N LYS A 16 7.731 23.337 -11.498 1.00 0.00 N ATOM 220 CA LYS A 16 6.625 22.949 -10.640 1.00 0.00 C ATOM 221 C LYS A 16 5.750 24.174 -10.359 1.00 0.00 C ATOM 222 O LYS A 16 5.680 24.643 -9.224 1.00 0.00 O ATOM 223 CB LYS A 16 7.142 22.260 -9.376 1.00 0.00 C ATOM 224 CG LYS A 16 5.997 21.963 -8.406 1.00 0.00 C ATOM 225 CD LYS A 16 6.454 22.121 -6.954 1.00 0.00 C ATOM 226 CE LYS A 16 6.528 20.765 -6.252 1.00 0.00 C ATOM 227 NZ LYS A 16 5.730 20.781 -5.006 1.00 0.00 N ATOM 0 H LYS A 16 8.436 23.920 -11.047 1.00 0.00 H new ATOM 0 HA LYS A 16 5.995 22.213 -11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.646 21.332 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.881 22.895 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.164 22.637 -8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.632 20.949 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.432 22.602 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.763 22.773 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.159 19.984 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.566 20.524 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.792 19.852 -4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.100 21.513 -4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.737 20.990 -5.233 1.00 0.00 H new ATOM 241 N ASP A 17 5.107 24.655 -11.411 1.00 0.00 N ATOM 242 CA ASP A 17 4.240 25.816 -11.292 1.00 0.00 C ATOM 243 C ASP A 17 3.125 25.723 -12.335 1.00 0.00 C ATOM 244 O ASP A 17 3.266 25.030 -13.341 1.00 0.00 O ATOM 245 CB ASP A 17 5.016 27.111 -11.543 1.00 0.00 C ATOM 246 CG ASP A 17 5.664 27.726 -10.302 1.00 0.00 C ATOM 247 OD1 ASP A 17 5.679 27.030 -9.264 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.129 28.881 -10.418 1.00 0.00 O ATOM 0 H ASP A 17 5.168 24.263 -12.351 1.00 0.00 H new ATOM 0 HA ASP A 17 3.832 25.830 -10.281 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.794 26.914 -12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.339 27.844 -11.982 1.00 0.00 H new ATOM 253 N SER A 18 2.039 26.432 -12.059 1.00 0.00 N ATOM 254 CA SER A 18 0.901 26.439 -12.960 1.00 0.00 C ATOM 255 C SER A 18 1.370 26.692 -14.395 1.00 0.00 C ATOM 256 O SER A 18 0.926 26.021 -15.325 1.00 0.00 O ATOM 257 CB SER A 18 -0.126 27.494 -12.544 1.00 0.00 C ATOM 258 OG SER A 18 -1.319 27.415 -13.321 1.00 0.00 O ATOM 0 H SER A 18 1.925 27.005 -11.223 1.00 0.00 H new ATOM 0 HA SER A 18 0.419 25.462 -12.909 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.371 27.365 -11.490 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.311 28.487 -12.651 1.00 0.00 H new ATOM 0 HG SER A 18 -1.949 28.104 -13.023 1.00 0.00 H new ATOM 264 N LYS A 19 2.261 27.664 -14.529 1.00 0.00 N ATOM 265 CA LYS A 19 2.796 28.014 -15.834 1.00 0.00 C ATOM 266 C LYS A 19 3.496 26.795 -16.437 1.00 0.00 C ATOM 267 O LYS A 19 3.361 26.524 -17.630 1.00 0.00 O ATOM 268 CB LYS A 19 3.690 29.250 -15.732 1.00 0.00 C ATOM 269 CG LYS A 19 4.717 29.093 -14.608 1.00 0.00 C ATOM 270 CD LYS A 19 6.142 29.089 -15.163 1.00 0.00 C ATOM 271 CE LYS A 19 7.021 28.090 -14.411 1.00 0.00 C ATOM 272 NZ LYS A 19 7.368 28.611 -13.070 1.00 0.00 N ATOM 0 H LYS A 19 2.626 28.220 -13.755 1.00 0.00 H new ATOM 0 HA LYS A 19 1.991 28.288 -16.515 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.204 29.410 -16.680 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.077 30.132 -15.549 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.604 29.907 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.531 28.165 -14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.122 28.835 -16.223 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.570 30.088 -15.082 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.499 27.138 -14.314 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.931 27.898 -14.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.725 27.834 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.102 29.342 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.522 29.023 -12.628 1.00 0.00 H new ATOM 286 N SER A 20 4.230 26.093 -15.586 1.00 0.00 N ATOM 287 CA SER A 20 4.952 24.909 -16.021 1.00 0.00 C ATOM 288 C SER A 20 4.861 23.819 -14.952 1.00 0.00 C ATOM 289 O SER A 20 5.370 23.985 -13.846 1.00 0.00 O ATOM 290 CB SER A 20 6.416 25.237 -16.321 1.00 0.00 C ATOM 291 OG SER A 20 6.858 24.640 -17.537 1.00 0.00 O ATOM 0 H SER A 20 4.340 26.321 -14.598 1.00 0.00 H new ATOM 0 HA SER A 20 4.493 24.546 -16.941 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.540 26.318 -16.382 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.041 24.890 -15.498 1.00 0.00 H new ATOM 0 HG SER A 20 7.804 24.395 -17.457 1.00 0.00 H new ATOM 297 N THR A 21 4.207 22.726 -15.321 1.00 0.00 N ATOM 298 CA THR A 21 4.042 21.609 -14.407 1.00 0.00 C ATOM 299 C THR A 21 3.958 20.294 -15.183 1.00 0.00 C ATOM 300 O THR A 21 3.143 20.157 -16.094 1.00 0.00 O ATOM 301 CB THR A 21 2.810 21.884 -13.541 1.00 0.00 C ATOM 302 OG1 THR A 21 3.279 22.793 -12.549 1.00 0.00 O ATOM 303 CG2 THR A 21 2.371 20.655 -12.743 1.00 0.00 C ATOM 0 H THR A 21 3.786 22.591 -16.240 1.00 0.00 H new ATOM 0 HA THR A 21 4.904 21.507 -13.748 1.00 0.00 H new ATOM 0 HB THR A 21 1.988 22.219 -14.174 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.753 23.534 -12.982 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.494 20.903 -12.146 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.125 19.844 -13.429 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.181 20.340 -12.085 1.00 0.00 H new ATOM 311 N TRP A 22 4.813 19.359 -14.795 1.00 0.00 N ATOM 312 CA TRP A 22 4.845 18.059 -15.443 1.00 0.00 C ATOM 313 C TRP A 22 4.666 16.988 -14.365 1.00 0.00 C ATOM 314 O TRP A 22 4.426 17.308 -13.202 1.00 0.00 O ATOM 315 CB TRP A 22 6.131 17.882 -16.254 1.00 0.00 C ATOM 316 CG TRP A 22 6.609 19.159 -16.948 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.864 20.126 -17.501 1.00 0.00 C ATOM 318 CD2 TRP A 22 7.979 19.571 -17.142 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.650 21.127 -18.036 1.00 0.00 N ATOM 320 CE2 TRP A 22 7.976 20.779 -17.810 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.179 18.944 -16.766 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.146 21.463 -18.160 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.340 19.641 -17.122 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.354 20.857 -17.795 1.00 0.00 C ATOM 0 H TRP A 22 5.489 19.476 -14.040 1.00 0.00 H new ATOM 0 HA TRP A 22 4.032 17.967 -16.163 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.919 17.523 -15.592 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.971 17.110 -17.006 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.784 20.123 -17.525 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.318 21.967 -18.510 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.204 17.999 -16.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.118 22.407 -18.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.291 19.203 -16.855 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.293 21.333 -18.035 1.00 0.00 H new ATOM 335 N VAL A 23 4.791 15.739 -14.790 1.00 0.00 N ATOM 336 CA VAL A 23 4.647 14.620 -13.875 1.00 0.00 C ATOM 337 C VAL A 23 5.310 13.382 -14.482 1.00 0.00 C ATOM 338 O VAL A 23 4.830 12.842 -15.478 1.00 0.00 O ATOM 339 CB VAL A 23 3.169 14.403 -13.542 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.682 15.430 -12.517 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.310 14.443 -14.807 1.00 0.00 C ATOM 0 H VAL A 23 4.990 15.478 -15.756 1.00 0.00 H new ATOM 0 HA VAL A 23 5.152 14.831 -12.932 1.00 0.00 H new ATOM 0 HB VAL A 23 3.068 13.412 -13.099 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.629 15.254 -12.298 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.265 15.334 -11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.805 16.435 -12.922 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.264 14.286 -14.542 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.420 15.413 -15.291 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.633 13.658 -15.491 1.00 0.00 H new ATOM 351 N ILE A 24 6.402 12.969 -13.857 1.00 0.00 N ATOM 352 CA ILE A 24 7.136 11.804 -14.322 1.00 0.00 C ATOM 353 C ILE A 24 6.302 10.546 -14.071 1.00 0.00 C ATOM 354 O ILE A 24 6.265 10.036 -12.952 1.00 0.00 O ATOM 355 CB ILE A 24 8.527 11.757 -13.687 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.277 10.489 -14.101 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.440 11.901 -12.166 1.00 0.00 C ATOM 358 CD1 ILE A 24 10.713 10.813 -14.516 1.00 0.00 C ATOM 0 H ILE A 24 6.797 13.420 -13.032 1.00 0.00 H new ATOM 0 HA ILE A 24 7.304 11.865 -15.397 1.00 0.00 H new ATOM 0 HB ILE A 24 9.101 12.606 -14.059 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.285 9.780 -13.273 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.755 10.007 -14.928 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.442 11.864 -11.739 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.974 12.854 -11.917 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.842 11.087 -11.757 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.224 9.895 -14.806 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.701 11.503 -15.360 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.239 11.272 -13.679 1.00 0.00 H new ATOM 370 N LEU A 25 5.654 10.083 -15.129 1.00 0.00 N ATOM 371 CA LEU A 25 4.823 8.894 -15.037 1.00 0.00 C ATOM 372 C LEU A 25 5.371 7.820 -15.978 1.00 0.00 C ATOM 373 O LEU A 25 5.532 8.060 -17.173 1.00 0.00 O ATOM 374 CB LEU A 25 3.356 9.246 -15.293 1.00 0.00 C ATOM 375 CG LEU A 25 3.034 9.812 -16.677 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.615 8.700 -17.641 1.00 0.00 C ATOM 377 CD2 LEU A 25 1.980 10.918 -16.585 1.00 0.00 C ATOM 0 H LEU A 25 5.687 10.509 -16.055 1.00 0.00 H new ATOM 0 HA LEU A 25 4.857 8.482 -14.029 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.756 8.349 -15.141 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.041 9.972 -14.543 1.00 0.00 H new ATOM 0 HG LEU A 25 3.940 10.263 -17.081 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.392 9.130 -18.617 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.426 7.979 -17.739 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.728 8.198 -17.254 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.769 11.303 -17.583 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.065 10.514 -16.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.354 11.726 -15.956 1.00 0.00 H new ATOM 389 N HIS A 26 5.643 6.658 -15.402 1.00 0.00 N ATOM 390 CA HIS A 26 6.170 5.545 -16.174 1.00 0.00 C ATOM 391 C HIS A 26 7.567 5.894 -16.688 1.00 0.00 C ATOM 392 O HIS A 26 7.932 5.528 -17.805 1.00 0.00 O ATOM 393 CB HIS A 26 5.204 5.157 -17.296 1.00 0.00 C ATOM 394 CG HIS A 26 3.912 4.545 -16.810 1.00 0.00 C ATOM 395 ND1 HIS A 26 2.781 5.296 -16.543 1.00 0.00 N ATOM 396 CD2 HIS A 26 3.584 3.248 -16.547 1.00 0.00 C ATOM 397 CE1 HIS A 26 1.821 4.478 -16.138 1.00 0.00 C ATOM 398 NE2 HIS A 26 2.321 3.209 -16.139 1.00 0.00 N ATOM 0 H HIS A 26 5.508 6.463 -14.410 1.00 0.00 H new ATOM 0 HA HIS A 26 6.265 4.667 -15.536 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.974 6.044 -17.887 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.701 4.451 -17.961 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.240 2.397 -16.653 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.819 4.765 -15.857 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.809 2.369 -15.871 1.00 0.00 H new ATOM 406 N HIS A 27 8.313 6.598 -15.851 1.00 0.00 N ATOM 407 CA HIS A 27 9.663 7.002 -16.207 1.00 0.00 C ATOM 408 C HIS A 27 9.612 8.004 -17.361 1.00 0.00 C ATOM 409 O HIS A 27 10.635 8.305 -17.973 1.00 0.00 O ATOM 410 CB HIS A 27 10.529 5.780 -16.520 1.00 0.00 C ATOM 411 CG HIS A 27 10.533 4.734 -15.431 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.559 3.376 -15.696 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.516 4.861 -14.073 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.556 2.725 -14.542 1.00 0.00 C ATOM 415 NE2 HIS A 27 10.529 3.647 -13.538 1.00 0.00 N ATOM 0 H HIS A 27 8.008 6.900 -14.926 1.00 0.00 H new ATOM 0 HA HIS A 27 10.133 7.502 -15.360 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.176 5.325 -17.445 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.553 6.109 -16.697 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.495 5.792 -13.526 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.572 1.652 -14.418 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.520 3.438 -12.540 1.00 0.00 H new ATOM 423 N LYS A 28 8.409 8.494 -17.625 1.00 0.00 N ATOM 424 CA LYS A 28 8.210 9.455 -18.696 1.00 0.00 C ATOM 425 C LYS A 28 7.485 10.684 -18.143 1.00 0.00 C ATOM 426 O LYS A 28 6.386 10.569 -17.602 1.00 0.00 O ATOM 427 CB LYS A 28 7.496 8.800 -19.880 1.00 0.00 C ATOM 428 CG LYS A 28 8.318 7.638 -20.440 1.00 0.00 C ATOM 429 CD LYS A 28 7.408 6.512 -20.935 1.00 0.00 C ATOM 430 CE LYS A 28 6.686 6.917 -22.222 1.00 0.00 C ATOM 431 NZ LYS A 28 5.725 5.867 -22.630 1.00 0.00 N ATOM 0 H LYS A 28 7.562 8.243 -17.115 1.00 0.00 H new ATOM 0 HA LYS A 28 9.169 9.797 -19.084 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.517 8.439 -19.565 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.326 9.540 -20.662 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.943 7.992 -21.260 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.988 7.257 -19.669 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.999 5.613 -21.112 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.677 6.266 -20.165 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.161 7.860 -22.070 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.413 7.082 -23.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.244 6.158 -23.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.234 4.975 -22.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.021 5.729 -21.877 1.00 0.00 H new ATOM 445 N VAL A 29 8.129 11.831 -18.298 1.00 0.00 N ATOM 446 CA VAL A 29 7.559 13.081 -17.822 1.00 0.00 C ATOM 447 C VAL A 29 6.718 13.710 -18.935 1.00 0.00 C ATOM 448 O VAL A 29 7.159 13.790 -20.080 1.00 0.00 O ATOM 449 CB VAL A 29 8.669 14.003 -17.317 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.652 14.343 -18.437 1.00 0.00 C ATOM 451 CG2 VAL A 29 8.085 15.273 -16.694 1.00 0.00 C ATOM 0 H VAL A 29 9.041 11.922 -18.747 1.00 0.00 H new ATOM 0 HA VAL A 29 6.895 12.901 -16.976 1.00 0.00 H new ATOM 0 HB VAL A 29 9.219 13.471 -16.540 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.431 15.000 -18.050 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.105 13.426 -18.814 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.122 14.846 -19.246 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.895 15.912 -16.343 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.499 15.808 -17.441 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.444 15.005 -15.854 1.00 0.00 H new ATOM 461 N TYR A 30 5.523 14.140 -18.559 1.00 0.00 N ATOM 462 CA TYR A 30 4.617 14.759 -19.510 1.00 0.00 C ATOM 463 C TYR A 30 4.244 16.177 -19.069 1.00 0.00 C ATOM 464 O TYR A 30 3.911 16.401 -17.907 1.00 0.00 O ATOM 465 CB TYR A 30 3.357 13.893 -19.519 1.00 0.00 C ATOM 466 CG TYR A 30 3.599 12.448 -19.961 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.247 11.569 -19.118 1.00 0.00 C ATOM 468 CD2 TYR A 30 3.169 12.023 -21.201 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.475 10.209 -19.532 1.00 0.00 C ATOM 470 CE2 TYR A 30 3.397 10.664 -21.617 1.00 0.00 C ATOM 471 CZ TYR A 30 4.039 9.824 -20.762 1.00 0.00 C ATOM 472 OH TYR A 30 4.254 8.539 -21.154 1.00 0.00 O ATOM 0 H TYR A 30 5.161 14.072 -17.608 1.00 0.00 H new ATOM 0 HA TYR A 30 5.083 14.829 -20.493 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.924 13.889 -18.519 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.621 14.347 -20.183 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.583 11.901 -18.147 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.661 12.711 -21.860 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.980 9.511 -18.881 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.066 10.320 -22.586 1.00 0.00 H new ATOM 0 HH TYR A 30 3.889 8.406 -22.054 1.00 0.00 H new ATOM 482 N ASP A 31 4.312 17.096 -20.021 1.00 0.00 N ATOM 483 CA ASP A 31 3.986 18.485 -19.746 1.00 0.00 C ATOM 484 C ASP A 31 2.501 18.721 -20.030 1.00 0.00 C ATOM 485 O ASP A 31 2.123 19.032 -21.159 1.00 0.00 O ATOM 486 CB ASP A 31 4.794 19.428 -20.638 1.00 0.00 C ATOM 487 CG ASP A 31 4.334 20.887 -20.621 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.665 21.259 -19.634 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.662 21.597 -21.596 1.00 0.00 O ATOM 0 H ASP A 31 4.588 16.906 -20.984 1.00 0.00 H new ATOM 0 HA ASP A 31 4.223 18.687 -18.701 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.839 19.389 -20.330 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.750 19.061 -21.663 1.00 0.00 H new ATOM 494 N LEU A 32 1.699 18.564 -18.987 1.00 0.00 N ATOM 495 CA LEU A 32 0.264 18.756 -19.111 1.00 0.00 C ATOM 496 C LEU A 32 -0.110 20.135 -18.566 1.00 0.00 C ATOM 497 O LEU A 32 -1.266 20.382 -18.227 1.00 0.00 O ATOM 498 CB LEU A 32 -0.490 17.606 -18.440 1.00 0.00 C ATOM 499 CG LEU A 32 0.269 16.855 -17.344 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.700 16.188 -16.365 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.254 15.852 -17.947 1.00 0.00 C ATOM 0 H LEU A 32 2.016 18.306 -18.052 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.034 18.735 -20.159 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.410 18.003 -18.011 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.780 16.890 -19.209 1.00 0.00 H new ATOM 0 HG LEU A 32 0.854 17.579 -16.777 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.135 15.661 -15.596 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.326 16.948 -15.898 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.330 15.479 -16.903 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.780 15.332 -17.146 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.710 15.128 -18.554 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.975 16.380 -18.571 1.00 0.00 H new ATOM 513 N THR A 33 0.891 21.002 -18.500 1.00 0.00 N ATOM 514 CA THR A 33 0.682 22.351 -18.003 1.00 0.00 C ATOM 515 C THR A 33 -0.219 23.137 -18.958 1.00 0.00 C ATOM 516 O THR A 33 -0.839 24.122 -18.561 1.00 0.00 O ATOM 517 CB THR A 33 2.054 22.995 -17.793 1.00 0.00 C ATOM 518 OG1 THR A 33 1.967 23.584 -16.498 1.00 0.00 O ATOM 519 CG2 THR A 33 2.292 24.184 -18.727 1.00 0.00 C ATOM 0 H THR A 33 1.849 20.796 -18.783 1.00 0.00 H new ATOM 0 HA THR A 33 0.160 22.344 -17.046 1.00 0.00 H new ATOM 0 HB THR A 33 2.833 22.248 -17.949 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.491 24.438 -16.559 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.280 24.604 -18.537 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.233 23.850 -19.763 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.533 24.945 -18.547 1.00 0.00 H new ATOM 527 N LYS A 34 -0.263 22.671 -20.197 1.00 0.00 N ATOM 528 CA LYS A 34 -1.077 23.319 -21.212 1.00 0.00 C ATOM 529 C LYS A 34 -2.521 22.829 -21.088 1.00 0.00 C ATOM 530 O LYS A 34 -3.450 23.633 -21.030 1.00 0.00 O ATOM 531 CB LYS A 34 -0.472 23.106 -22.601 1.00 0.00 C ATOM 532 CG LYS A 34 -1.318 23.788 -23.677 1.00 0.00 C ATOM 533 CD LYS A 34 -1.315 25.307 -23.496 1.00 0.00 C ATOM 534 CE LYS A 34 -0.680 26.002 -24.703 1.00 0.00 C ATOM 535 NZ LYS A 34 -1.338 27.303 -24.958 1.00 0.00 N ATOM 0 H LYS A 34 0.252 21.852 -20.522 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.091 24.398 -21.059 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.543 23.504 -22.625 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.401 22.039 -22.811 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.930 23.535 -24.664 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.341 23.415 -23.631 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.337 25.663 -23.363 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.766 25.568 -22.591 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.384 26.155 -24.524 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.766 25.365 -25.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.895 27.761 -25.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.348 27.149 -25.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.234 27.914 -24.123 1.00 0.00 H new ATOM 549 N PHE A 35 -2.665 21.512 -21.053 1.00 0.00 N ATOM 550 CA PHE A 35 -3.980 20.905 -20.938 1.00 0.00 C ATOM 551 C PHE A 35 -4.385 20.749 -19.470 1.00 0.00 C ATOM 552 O PHE A 35 -5.406 20.135 -19.167 1.00 0.00 O ATOM 553 CB PHE A 35 -3.892 19.520 -21.581 1.00 0.00 C ATOM 554 CG PHE A 35 -4.222 18.369 -20.628 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.343 18.024 -19.650 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.394 17.693 -20.759 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.648 16.956 -18.765 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.700 16.625 -19.875 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.821 16.278 -18.897 1.00 0.00 C ATOM 0 H PHE A 35 -1.892 20.848 -21.102 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.724 21.533 -21.428 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.574 19.481 -22.431 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.885 19.376 -21.973 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.412 18.562 -19.546 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.092 17.968 -21.535 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.950 16.682 -17.988 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.631 16.088 -19.979 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.054 15.465 -18.225 1.00 0.00 H new ATOM 569 N LEU A 36 -3.563 21.315 -18.599 1.00 0.00 N ATOM 570 CA LEU A 36 -3.823 21.246 -17.172 1.00 0.00 C ATOM 571 C LEU A 36 -5.221 21.797 -16.884 1.00 0.00 C ATOM 572 O LEU A 36 -5.931 21.280 -16.024 1.00 0.00 O ATOM 573 CB LEU A 36 -2.712 21.949 -16.390 1.00 0.00 C ATOM 574 CG LEU A 36 -2.215 21.229 -15.135 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.695 21.345 -15.001 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.940 21.738 -13.887 1.00 0.00 C ATOM 0 H LEU A 36 -2.716 21.823 -18.854 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.813 20.210 -16.834 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.864 22.099 -17.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.069 22.937 -16.100 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.450 20.169 -15.235 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.368 20.825 -14.101 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.218 20.897 -15.873 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.415 22.396 -14.934 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.568 21.210 -13.009 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.759 22.807 -13.771 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.011 21.561 -13.990 1.00 0.00 H new ATOM 588 N GLU A 37 -5.574 22.839 -17.622 1.00 0.00 N ATOM 589 CA GLU A 37 -6.874 23.466 -17.458 1.00 0.00 C ATOM 590 C GLU A 37 -7.943 22.676 -18.214 1.00 0.00 C ATOM 591 O GLU A 37 -9.130 22.776 -17.904 1.00 0.00 O ATOM 592 CB GLU A 37 -6.842 24.925 -17.918 1.00 0.00 C ATOM 593 CG GLU A 37 -7.881 25.760 -17.166 1.00 0.00 C ATOM 594 CD GLU A 37 -8.985 26.240 -18.112 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.727 25.366 -18.607 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.060 27.472 -18.315 1.00 0.00 O ATOM 0 H GLU A 37 -4.982 23.265 -18.335 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.127 23.460 -16.398 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.848 25.340 -17.753 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.035 24.977 -18.990 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.318 25.167 -16.362 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.396 26.618 -16.701 1.00 0.00 H new ATOM 603 N GLU A 38 -7.486 21.909 -19.193 1.00 0.00 N ATOM 604 CA GLU A 38 -8.389 21.103 -19.997 1.00 0.00 C ATOM 605 C GLU A 38 -8.650 19.758 -19.313 1.00 0.00 C ATOM 606 O GLU A 38 -9.497 18.986 -19.760 1.00 0.00 O ATOM 607 CB GLU A 38 -7.836 20.901 -21.408 1.00 0.00 C ATOM 608 CG GLU A 38 -7.895 22.202 -22.211 1.00 0.00 C ATOM 609 CD GLU A 38 -7.305 22.010 -23.610 1.00 0.00 C ATOM 610 OE1 GLU A 38 -6.186 21.458 -23.683 1.00 0.00 O ATOM 611 OE2 GLU A 38 -7.985 22.422 -24.574 1.00 0.00 O ATOM 0 H GLU A 38 -6.502 21.829 -19.448 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.336 21.634 -20.087 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.805 20.550 -21.352 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.408 20.127 -21.920 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.929 22.537 -22.291 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.346 22.983 -21.685 1.00 0.00 H new ATOM 618 N HIS A 39 -7.909 19.521 -18.242 1.00 0.00 N ATOM 619 CA HIS A 39 -8.050 18.284 -17.493 1.00 0.00 C ATOM 620 C HIS A 39 -9.210 18.413 -16.504 1.00 0.00 C ATOM 621 O HIS A 39 -9.317 19.411 -15.793 1.00 0.00 O ATOM 622 CB HIS A 39 -6.732 17.906 -16.815 1.00 0.00 C ATOM 623 CG HIS A 39 -6.745 16.544 -16.163 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.645 16.366 -14.795 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.848 15.297 -16.708 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.686 15.067 -14.538 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.810 14.405 -15.725 1.00 0.00 N ATOM 0 H HIS A 39 -7.208 20.165 -17.874 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.288 17.467 -18.174 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.933 17.935 -17.556 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.495 18.656 -16.061 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.555 17.109 -14.102 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.944 15.074 -17.760 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.631 14.612 -13.560 1.00 0.00 H new ATOM 635 N PRO A 40 -10.072 17.360 -16.489 1.00 0.00 N ATOM 636 CA PRO A 40 -11.220 17.347 -15.599 1.00 0.00 C ATOM 637 C PRO A 40 -10.793 17.061 -14.157 1.00 0.00 C ATOM 638 O PRO A 40 -11.561 17.286 -13.223 1.00 0.00 O ATOM 639 CB PRO A 40 -12.144 16.281 -16.166 1.00 0.00 C ATOM 640 CG PRO A 40 -11.280 15.419 -17.072 1.00 0.00 C ATOM 641 CD PRO A 40 -9.976 16.161 -17.316 1.00 0.00 C ATOM 0 HA PRO A 40 -11.726 18.311 -15.551 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.589 15.686 -15.369 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.965 16.732 -16.723 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.088 14.451 -16.608 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.791 15.225 -18.015 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.116 15.553 -17.034 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.856 16.415 -18.369 1.00 0.00 H new ATOM 649 N GLY A 41 -9.569 16.571 -14.023 1.00 0.00 N ATOM 650 CA GLY A 41 -9.031 16.253 -12.710 1.00 0.00 C ATOM 651 C GLY A 41 -9.076 17.474 -11.789 1.00 0.00 C ATOM 652 O GLY A 41 -9.978 17.599 -10.962 1.00 0.00 O ATOM 0 H GLY A 41 -8.935 16.387 -14.800 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.602 15.437 -12.267 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.003 15.905 -12.809 1.00 0.00 H new ATOM 656 N GLY A 42 -8.091 18.343 -11.962 1.00 0.00 N ATOM 657 CA GLY A 42 -8.007 19.549 -11.156 1.00 0.00 C ATOM 658 C GLY A 42 -6.874 20.455 -11.642 1.00 0.00 C ATOM 659 O GLY A 42 -6.363 20.279 -12.747 1.00 0.00 O ATOM 0 H GLY A 42 -7.344 18.236 -12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.953 20.088 -11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.842 19.282 -10.112 1.00 0.00 H new ATOM 663 N GLU A 43 -6.513 21.405 -10.791 1.00 0.00 N ATOM 664 CA GLU A 43 -5.450 22.339 -11.120 1.00 0.00 C ATOM 665 C GLU A 43 -4.353 22.290 -10.054 1.00 0.00 C ATOM 666 O GLU A 43 -3.263 22.824 -10.255 1.00 0.00 O ATOM 667 CB GLU A 43 -5.996 23.758 -11.280 1.00 0.00 C ATOM 668 CG GLU A 43 -4.909 24.799 -11.005 1.00 0.00 C ATOM 669 CD GLU A 43 -5.478 26.218 -11.071 1.00 0.00 C ATOM 670 OE1 GLU A 43 -5.888 26.613 -12.184 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.490 26.875 -10.008 1.00 0.00 O ATOM 0 H GLU A 43 -6.938 21.548 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.016 22.043 -12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.384 23.890 -12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.831 23.909 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.473 24.624 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.105 24.692 -11.733 1.00 0.00 H new ATOM 678 N GLU A 44 -4.680 21.647 -8.944 1.00 0.00 N ATOM 679 CA GLU A 44 -3.735 21.521 -7.846 1.00 0.00 C ATOM 680 C GLU A 44 -3.440 20.047 -7.565 1.00 0.00 C ATOM 681 O GLU A 44 -2.640 19.727 -6.688 1.00 0.00 O ATOM 682 CB GLU A 44 -4.258 22.225 -6.591 1.00 0.00 C ATOM 683 CG GLU A 44 -5.402 21.433 -5.955 1.00 0.00 C ATOM 684 CD GLU A 44 -6.729 22.183 -6.090 1.00 0.00 C ATOM 685 OE1 GLU A 44 -6.940 23.114 -5.284 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.503 21.808 -6.998 1.00 0.00 O ATOM 0 H GLU A 44 -5.586 21.207 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.804 22.008 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.448 22.342 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.603 23.226 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.482 20.456 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.185 21.257 -4.901 1.00 0.00 H new ATOM 693 N VAL A 45 -4.103 19.188 -8.326 1.00 0.00 N ATOM 694 CA VAL A 45 -3.921 17.755 -8.170 1.00 0.00 C ATOM 695 C VAL A 45 -2.972 17.245 -9.255 1.00 0.00 C ATOM 696 O VAL A 45 -2.289 16.239 -9.065 1.00 0.00 O ATOM 697 CB VAL A 45 -5.280 17.051 -8.185 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.320 17.882 -8.939 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.163 15.647 -8.780 1.00 0.00 C ATOM 0 H VAL A 45 -4.767 19.457 -9.052 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.464 17.530 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.617 16.950 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.276 17.359 -8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.434 18.851 -8.452 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.992 18.029 -9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.142 15.169 -8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.793 15.715 -9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.470 15.055 -8.182 1.00 0.00 H new ATOM 709 N LEU A 46 -2.957 17.961 -10.370 1.00 0.00 N ATOM 710 CA LEU A 46 -2.102 17.593 -11.484 1.00 0.00 C ATOM 711 C LEU A 46 -0.675 18.066 -11.205 1.00 0.00 C ATOM 712 O LEU A 46 0.289 17.411 -11.601 1.00 0.00 O ATOM 713 CB LEU A 46 -2.679 18.123 -12.799 1.00 0.00 C ATOM 714 CG LEU A 46 -4.204 18.215 -12.874 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.657 18.714 -14.247 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.853 16.878 -12.508 1.00 0.00 C ATOM 0 H LEU A 46 -3.524 18.795 -10.525 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.063 16.509 -11.592 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.266 19.115 -12.980 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.333 17.481 -13.609 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.538 18.947 -12.139 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.745 18.770 -14.273 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.238 19.703 -14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.311 18.025 -15.017 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.937 16.971 -12.569 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.515 16.108 -13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.569 16.602 -11.492 1.00 0.00 H new ATOM 728 N ARG A 47 -0.583 19.200 -10.524 1.00 0.00 N ATOM 729 CA ARG A 47 0.711 19.767 -10.187 1.00 0.00 C ATOM 730 C ARG A 47 1.172 19.262 -8.818 1.00 0.00 C ATOM 731 O ARG A 47 2.353 19.350 -8.485 1.00 0.00 O ATOM 732 CB ARG A 47 0.652 21.296 -10.164 1.00 0.00 C ATOM 733 CG ARG A 47 -0.602 21.786 -9.440 1.00 0.00 C ATOM 734 CD ARG A 47 -0.489 23.272 -9.090 1.00 0.00 C ATOM 735 NE ARG A 47 0.624 23.483 -8.137 1.00 0.00 N ATOM 736 CZ ARG A 47 0.549 23.220 -6.825 1.00 0.00 C ATOM 737 NH1 ARG A 47 -0.585 22.734 -6.303 1.00 0.00 N ATOM 738 NH2 ARG A 47 1.609 23.444 -6.036 1.00 0.00 N ATOM 0 H ARG A 47 -1.384 19.741 -10.197 1.00 0.00 H new ATOM 0 HA ARG A 47 1.420 19.452 -10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.539 21.690 -9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.660 21.679 -11.184 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.477 21.623 -10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.751 21.205 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.320 23.856 -9.995 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.424 23.624 -8.654 1.00 0.00 H new ATOM 0 HE ARG A 47 1.503 23.851 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.391 22.564 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.642 22.534 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.472 23.814 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.553 23.244 -5.037 1.00 0.00 H new ATOM 752 N GLU A 48 0.216 18.742 -8.062 1.00 0.00 N ATOM 753 CA GLU A 48 0.510 18.222 -6.738 1.00 0.00 C ATOM 754 C GLU A 48 1.587 17.139 -6.819 1.00 0.00 C ATOM 755 O GLU A 48 2.194 16.785 -5.809 1.00 0.00 O ATOM 756 CB GLU A 48 -0.756 17.686 -6.066 1.00 0.00 C ATOM 757 CG GLU A 48 -1.012 18.393 -4.733 1.00 0.00 C ATOM 758 CD GLU A 48 0.114 18.108 -3.737 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.556 16.939 -3.699 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.508 19.066 -3.036 1.00 0.00 O ATOM 0 H GLU A 48 -0.762 18.670 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 48 0.890 19.039 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.611 17.828 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.657 16.613 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.094 19.467 -4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.963 18.060 -4.317 1.00 0.00 H new ATOM 767 N GLN A 49 1.792 16.643 -8.030 1.00 0.00 N ATOM 768 CA GLN A 49 2.786 15.607 -8.256 1.00 0.00 C ATOM 769 C GLN A 49 3.828 16.085 -9.271 1.00 0.00 C ATOM 770 O GLN A 49 4.394 15.280 -10.010 1.00 0.00 O ATOM 771 CB GLN A 49 2.127 14.307 -8.718 1.00 0.00 C ATOM 772 CG GLN A 49 1.404 13.617 -7.560 1.00 0.00 C ATOM 773 CD GLN A 49 2.344 13.416 -6.369 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.344 14.172 -5.410 1.00 0.00 O ATOM 775 NE2 GLN A 49 3.143 12.359 -6.483 1.00 0.00 N ATOM 0 H GLN A 49 1.287 16.939 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 49 3.292 15.403 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.419 14.519 -9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.883 13.638 -9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.546 14.216 -7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.018 12.653 -7.890 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.091 11.768 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.808 12.140 -5.741 1.00 0.00 H new ATOM 784 N ALA A 50 4.050 17.391 -9.275 1.00 0.00 N ATOM 785 CA ALA A 50 5.013 17.984 -10.185 1.00 0.00 C ATOM 786 C ALA A 50 6.403 17.949 -9.545 1.00 0.00 C ATOM 787 O ALA A 50 7.076 18.975 -9.458 1.00 0.00 O ATOM 788 CB ALA A 50 4.572 19.406 -10.542 1.00 0.00 C ATOM 0 H ALA A 50 3.578 18.055 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 50 5.063 17.415 -11.113 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.296 19.851 -11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.593 19.374 -11.020 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.513 20.007 -9.635 1.00 0.00 H new ATOM 794 N GLY A 51 6.790 16.757 -9.115 1.00 0.00 N ATOM 795 CA GLY A 51 8.087 16.574 -8.487 1.00 0.00 C ATOM 796 C GLY A 51 8.402 15.088 -8.300 1.00 0.00 C ATOM 797 O GLY A 51 9.554 14.674 -8.419 1.00 0.00 O ATOM 0 H GLY A 51 6.228 15.909 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.860 17.039 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.101 17.077 -7.520 1.00 0.00 H new ATOM 801 N GLY A 52 7.357 14.327 -8.011 1.00 0.00 N ATOM 802 CA GLY A 52 7.508 12.896 -7.808 1.00 0.00 C ATOM 803 C GLY A 52 6.876 12.110 -8.958 1.00 0.00 C ATOM 804 O GLY A 52 7.009 12.487 -10.121 1.00 0.00 O ATOM 0 H GLY A 52 6.403 14.674 -7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.566 12.646 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.042 12.607 -6.866 1.00 0.00 H new ATOM 808 N ASP A 53 6.201 11.029 -8.593 1.00 0.00 N ATOM 809 CA ASP A 53 5.548 10.186 -9.579 1.00 0.00 C ATOM 810 C ASP A 53 4.031 10.343 -9.455 1.00 0.00 C ATOM 811 O ASP A 53 3.460 10.072 -8.400 1.00 0.00 O ATOM 812 CB ASP A 53 5.890 8.711 -9.357 1.00 0.00 C ATOM 813 CG ASP A 53 6.555 8.397 -8.014 1.00 0.00 C ATOM 814 OD1 ASP A 53 6.002 8.849 -6.987 1.00 0.00 O ATOM 815 OD2 ASP A 53 7.600 7.713 -8.045 1.00 0.00 O ATOM 0 H ASP A 53 6.093 10.718 -7.628 1.00 0.00 H new ATOM 0 HA ASP A 53 5.895 10.492 -10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.975 8.125 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.551 8.382 -10.159 1.00 0.00 H new ATOM 820 N ALA A 54 3.422 10.781 -10.547 1.00 0.00 N ATOM 821 CA ALA A 54 1.983 10.977 -10.574 1.00 0.00 C ATOM 822 C ALA A 54 1.301 9.668 -10.975 1.00 0.00 C ATOM 823 O ALA A 54 0.105 9.491 -10.745 1.00 0.00 O ATOM 824 CB ALA A 54 1.643 12.127 -11.524 1.00 0.00 C ATOM 0 H ALA A 54 3.899 11.006 -11.420 1.00 0.00 H new ATOM 0 HA ALA A 54 1.614 11.250 -9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.563 12.275 -11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.128 13.040 -11.178 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.996 11.887 -12.527 1.00 0.00 H new ATOM 830 N THR A 55 2.090 8.784 -11.567 1.00 0.00 N ATOM 831 CA THR A 55 1.578 7.496 -12.002 1.00 0.00 C ATOM 832 C THR A 55 0.794 6.824 -10.872 1.00 0.00 C ATOM 833 O THR A 55 -0.338 6.386 -11.071 1.00 0.00 O ATOM 834 CB THR A 55 2.758 6.661 -12.501 1.00 0.00 C ATOM 835 OG1 THR A 55 2.259 5.326 -12.516 1.00 0.00 O ATOM 836 CG2 THR A 55 3.911 6.617 -11.496 1.00 0.00 C ATOM 0 H THR A 55 3.081 8.935 -11.756 1.00 0.00 H new ATOM 0 HA THR A 55 0.871 7.610 -12.824 1.00 0.00 H new ATOM 0 HB THR A 55 3.116 7.069 -13.446 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.961 4.718 -12.829 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.723 6.011 -11.900 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.271 7.629 -11.311 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.562 6.179 -10.561 1.00 0.00 H new ATOM 844 N GLU A 56 1.427 6.766 -9.709 1.00 0.00 N ATOM 845 CA GLU A 56 0.804 6.155 -8.548 1.00 0.00 C ATOM 846 C GLU A 56 -0.654 6.606 -8.429 1.00 0.00 C ATOM 847 O GLU A 56 -1.507 5.848 -7.972 1.00 0.00 O ATOM 848 CB GLU A 56 1.583 6.480 -7.272 1.00 0.00 C ATOM 849 CG GLU A 56 1.922 7.970 -7.201 1.00 0.00 C ATOM 850 CD GLU A 56 1.786 8.496 -5.770 1.00 0.00 C ATOM 851 OE1 GLU A 56 0.654 8.889 -5.414 1.00 0.00 O ATOM 852 OE2 GLU A 56 2.818 8.492 -5.064 1.00 0.00 O ATOM 0 H GLU A 56 2.365 7.132 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 56 0.821 5.073 -8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.994 6.195 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.501 5.893 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.939 8.132 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.260 8.529 -7.862 1.00 0.00 H new ATOM 859 N ASN A 57 -0.894 7.840 -8.848 1.00 0.00 N ATOM 860 CA ASN A 57 -2.233 8.401 -8.795 1.00 0.00 C ATOM 861 C ASN A 57 -2.881 8.296 -10.177 1.00 0.00 C ATOM 862 O ASN A 57 -4.005 7.810 -10.304 1.00 0.00 O ATOM 863 CB ASN A 57 -2.196 9.879 -8.402 1.00 0.00 C ATOM 864 CG ASN A 57 -1.981 10.041 -6.896 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.598 9.120 -6.195 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.247 11.262 -6.440 1.00 0.00 N ATOM 0 H ASN A 57 -0.184 8.467 -9.226 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.802 7.844 -8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.395 10.383 -8.943 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.130 10.360 -8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.133 11.472 -5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.565 11.988 -7.082 1.00 0.00 H new ATOM 873 N PHE A 58 -2.145 8.757 -11.177 1.00 0.00 N ATOM 874 CA PHE A 58 -2.634 8.720 -12.545 1.00 0.00 C ATOM 875 C PHE A 58 -3.122 7.318 -12.916 1.00 0.00 C ATOM 876 O PHE A 58 -4.137 7.169 -13.594 1.00 0.00 O ATOM 877 CB PHE A 58 -1.460 9.095 -13.451 1.00 0.00 C ATOM 878 CG PHE A 58 -1.703 8.812 -14.934 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.799 7.528 -15.375 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.822 9.843 -15.813 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.024 7.265 -16.752 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.048 9.580 -17.190 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.144 8.297 -17.630 1.00 0.00 C ATOM 0 H PHE A 58 -1.214 9.158 -11.068 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.471 9.409 -12.659 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.242 10.155 -13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.575 8.547 -13.127 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.704 6.709 -14.677 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.745 10.862 -15.464 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.100 6.246 -17.102 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.144 10.399 -17.888 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.316 8.097 -18.677 1.00 0.00 H new ATOM 893 N GLU A 59 -2.374 6.326 -12.455 1.00 0.00 N ATOM 894 CA GLU A 59 -2.718 4.941 -12.730 1.00 0.00 C ATOM 895 C GLU A 59 -3.846 4.479 -11.804 1.00 0.00 C ATOM 896 O GLU A 59 -4.574 3.541 -12.126 1.00 0.00 O ATOM 897 CB GLU A 59 -1.492 4.034 -12.594 1.00 0.00 C ATOM 898 CG GLU A 59 -1.005 3.561 -13.965 1.00 0.00 C ATOM 899 CD GLU A 59 -1.002 2.033 -14.049 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.106 1.472 -14.213 1.00 0.00 O ATOM 901 OE2 GLU A 59 0.105 1.463 -13.946 1.00 0.00 O ATOM 0 H GLU A 59 -1.532 6.454 -11.894 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.069 4.872 -13.760 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.692 4.572 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.740 3.172 -11.975 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.648 3.970 -14.744 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.000 3.941 -14.149 1.00 0.00 H new ATOM 908 N ASP A 60 -3.955 5.160 -10.673 1.00 0.00 N ATOM 909 CA ASP A 60 -4.981 4.832 -9.698 1.00 0.00 C ATOM 910 C ASP A 60 -6.361 5.089 -10.310 1.00 0.00 C ATOM 911 O ASP A 60 -7.198 4.189 -10.365 1.00 0.00 O ATOM 912 CB ASP A 60 -4.851 5.701 -8.447 1.00 0.00 C ATOM 913 CG ASP A 60 -5.928 5.472 -7.385 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.436 4.331 -7.328 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.220 6.444 -6.654 1.00 0.00 O ATOM 0 H ASP A 60 -3.350 5.938 -10.410 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.861 3.784 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.875 5.520 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.875 6.749 -8.747 1.00 0.00 H new ATOM 920 N VAL A 61 -6.553 6.322 -10.756 1.00 0.00 N ATOM 921 CA VAL A 61 -7.816 6.710 -11.362 1.00 0.00 C ATOM 922 C VAL A 61 -8.076 5.837 -12.591 1.00 0.00 C ATOM 923 O VAL A 61 -9.205 5.757 -13.072 1.00 0.00 O ATOM 924 CB VAL A 61 -7.806 8.205 -11.682 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.409 8.665 -12.107 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.844 8.544 -12.755 1.00 0.00 C ATOM 0 H VAL A 61 -5.856 7.065 -10.710 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.639 6.546 -10.667 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.075 8.744 -10.773 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.429 9.732 -12.329 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.702 8.476 -11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.100 8.115 -12.996 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.816 9.613 -12.964 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.619 7.990 -13.667 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.837 8.270 -12.400 1.00 0.00 H new ATOM 936 N GLY A 62 -7.012 5.204 -13.063 1.00 0.00 N ATOM 937 CA GLY A 62 -7.112 4.339 -14.228 1.00 0.00 C ATOM 938 C GLY A 62 -7.455 5.145 -15.481 1.00 0.00 C ATOM 939 O GLY A 62 -8.608 5.174 -15.909 1.00 0.00 O ATOM 0 H GLY A 62 -6.077 5.272 -12.661 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.169 3.813 -14.377 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.877 3.581 -14.058 1.00 0.00 H new ATOM 943 N HIS A 63 -6.434 5.781 -16.036 1.00 0.00 N ATOM 944 CA HIS A 63 -6.613 6.586 -17.232 1.00 0.00 C ATOM 945 C HIS A 63 -6.753 5.670 -18.450 1.00 0.00 C ATOM 946 O HIS A 63 -6.042 4.673 -18.567 1.00 0.00 O ATOM 947 CB HIS A 63 -5.478 7.600 -17.381 1.00 0.00 C ATOM 948 CG HIS A 63 -5.583 8.780 -16.445 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.948 8.822 -15.216 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.253 9.962 -16.572 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.232 9.979 -14.637 1.00 0.00 C ATOM 952 NE2 HIS A 63 -6.041 10.684 -15.479 1.00 0.00 N ATOM 0 H HIS A 63 -5.479 5.755 -15.679 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.531 7.167 -17.149 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.528 7.095 -17.207 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.462 7.964 -18.408 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.361 8.087 -14.823 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.854 10.259 -17.419 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.884 10.307 -13.668 1.00 0.00 H new ATOM 960 N SER A 64 -7.675 6.041 -19.326 1.00 0.00 N ATOM 961 CA SER A 64 -7.918 5.266 -20.532 1.00 0.00 C ATOM 962 C SER A 64 -6.609 5.066 -21.298 1.00 0.00 C ATOM 963 O SER A 64 -5.643 5.798 -21.085 1.00 0.00 O ATOM 964 CB SER A 64 -8.958 5.947 -21.424 1.00 0.00 C ATOM 965 OG SER A 64 -10.287 5.561 -21.085 1.00 0.00 O ATOM 0 H SER A 64 -8.263 6.868 -19.225 1.00 0.00 H new ATOM 0 HA SER A 64 -8.312 4.293 -20.240 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.861 7.029 -21.334 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.762 5.695 -22.466 1.00 0.00 H new ATOM 0 HG SER A 64 -10.921 6.018 -21.676 1.00 0.00 H new ATOM 971 N THR A 65 -6.619 4.073 -22.175 1.00 0.00 N ATOM 972 CA THR A 65 -5.445 3.768 -22.974 1.00 0.00 C ATOM 973 C THR A 65 -5.323 4.752 -24.139 1.00 0.00 C ATOM 974 O THR A 65 -4.307 4.775 -24.834 1.00 0.00 O ATOM 975 CB THR A 65 -5.541 2.308 -23.420 1.00 0.00 C ATOM 976 OG1 THR A 65 -5.177 1.566 -22.260 1.00 0.00 O ATOM 977 CG2 THR A 65 -4.473 1.939 -24.451 1.00 0.00 C ATOM 0 H THR A 65 -7.422 3.469 -22.350 1.00 0.00 H new ATOM 0 HA THR A 65 -4.530 3.885 -22.393 1.00 0.00 H new ATOM 0 HB THR A 65 -6.529 2.121 -23.840 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.214 0.607 -22.460 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.586 0.892 -24.733 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.587 2.568 -25.334 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.483 2.094 -24.021 1.00 0.00 H new ATOM 985 N ASP A 66 -6.371 5.543 -24.317 1.00 0.00 N ATOM 986 CA ASP A 66 -6.393 6.527 -25.385 1.00 0.00 C ATOM 987 C ASP A 66 -6.055 7.904 -24.812 1.00 0.00 C ATOM 988 O ASP A 66 -6.151 8.913 -25.510 1.00 0.00 O ATOM 989 CB ASP A 66 -7.780 6.610 -26.028 1.00 0.00 C ATOM 990 CG ASP A 66 -8.334 5.281 -26.545 1.00 0.00 C ATOM 991 OD1 ASP A 66 -7.502 4.430 -26.928 1.00 0.00 O ATOM 992 OD2 ASP A 66 -9.576 5.145 -26.545 1.00 0.00 O ATOM 0 H ASP A 66 -7.211 5.522 -23.739 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.664 6.225 -26.137 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.479 7.018 -25.298 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.738 7.316 -26.857 1.00 0.00 H new ATOM 997 N VAL A 67 -5.667 7.904 -23.545 1.00 0.00 N ATOM 998 CA VAL A 67 -5.314 9.140 -22.869 1.00 0.00 C ATOM 999 C VAL A 67 -3.942 9.610 -23.358 1.00 0.00 C ATOM 1000 O VAL A 67 -3.669 10.809 -23.396 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.373 8.945 -21.353 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.973 8.995 -20.739 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.296 9.977 -20.702 1.00 0.00 C ATOM 0 H VAL A 67 -5.589 7.066 -22.969 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.032 9.924 -23.110 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.788 7.956 -21.159 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.043 8.854 -19.660 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.359 8.204 -21.169 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.518 9.963 -20.949 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.320 9.815 -19.624 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.924 10.980 -20.911 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.303 9.871 -21.107 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.115 8.641 -23.722 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.779 8.939 -24.207 1.00 0.00 C ATOM 1015 C ARG A 68 -1.853 9.770 -25.489 1.00 0.00 C ATOM 1016 O ARG A 68 -0.969 10.581 -25.760 1.00 0.00 O ATOM 1017 CB ARG A 68 -0.993 7.656 -24.482 1.00 0.00 C ATOM 1018 CG ARG A 68 -1.779 6.720 -25.403 1.00 0.00 C ATOM 1019 CD ARG A 68 -0.863 6.089 -26.454 1.00 0.00 C ATOM 1020 NE ARG A 68 -1.369 4.750 -26.829 1.00 0.00 N ATOM 1021 CZ ARG A 68 -2.370 4.540 -27.695 1.00 0.00 C ATOM 1022 NH1 ARG A 68 -2.977 5.580 -28.281 1.00 0.00 N ATOM 1023 NH2 ARG A 68 -2.763 3.290 -27.975 1.00 0.00 N ATOM 0 H ARG A 68 -3.345 7.648 -23.691 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.264 9.506 -23.432 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.035 7.903 -24.940 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.776 7.149 -23.542 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.254 5.937 -24.812 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.577 7.275 -25.897 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.813 6.728 -27.336 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.151 6.007 -26.062 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.928 3.936 -26.401 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.677 6.531 -28.068 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.739 5.421 -28.940 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.300 2.498 -27.529 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.525 3.131 -28.634 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.916 9.539 -26.245 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.118 10.256 -27.493 1.00 0.00 C ATOM 1039 C GLU A 69 -3.267 11.755 -27.226 1.00 0.00 C ATOM 1040 O GLU A 69 -3.128 12.568 -28.138 1.00 0.00 O ATOM 1041 CB GLU A 69 -4.330 9.709 -28.249 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.623 10.366 -27.760 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.820 9.435 -27.960 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.642 8.427 -28.678 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.886 9.751 -27.390 1.00 0.00 O ATOM 0 H GLU A 69 -3.647 8.865 -26.017 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.241 10.105 -28.123 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.208 9.888 -29.317 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.392 8.629 -28.112 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.529 10.622 -26.705 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.788 11.298 -28.300 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.549 12.075 -25.971 1.00 0.00 N ATOM 1053 CA LEU A 70 -3.719 13.462 -25.572 1.00 0.00 C ATOM 1054 C LEU A 70 -2.367 14.033 -25.140 1.00 0.00 C ATOM 1055 O LEU A 70 -2.041 15.175 -25.458 1.00 0.00 O ATOM 1056 CB LEU A 70 -4.809 13.582 -24.505 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.196 13.987 -25.005 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -7.173 14.153 -23.840 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -6.121 15.245 -25.874 1.00 0.00 C ATOM 0 H LEU A 70 -3.664 11.397 -25.217 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.063 14.062 -26.414 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.895 12.624 -23.993 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.485 14.312 -23.763 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.579 13.184 -25.634 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.152 14.441 -24.224 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.259 13.210 -23.300 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.806 14.926 -23.165 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.121 15.511 -26.216 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.707 16.067 -25.290 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.481 15.054 -26.736 1.00 0.00 H new ATOM 1071 N SER A 71 -1.618 13.211 -24.420 1.00 0.00 N ATOM 1072 CA SER A 71 -0.308 13.621 -23.940 1.00 0.00 C ATOM 1073 C SER A 71 0.651 13.794 -25.119 1.00 0.00 C ATOM 1074 O SER A 71 1.575 14.605 -25.059 1.00 0.00 O ATOM 1075 CB SER A 71 0.255 12.606 -22.943 1.00 0.00 C ATOM 1076 OG SER A 71 1.184 11.716 -23.555 1.00 0.00 O ATOM 0 H SER A 71 -1.892 12.264 -24.157 1.00 0.00 H new ATOM 0 HA SER A 71 -0.416 14.575 -23.425 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.744 13.134 -22.125 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.564 12.033 -22.508 1.00 0.00 H new ATOM 0 HG SER A 71 1.892 11.492 -22.916 1.00 0.00 H new ATOM 1082 N LYS A 72 0.399 13.019 -26.165 1.00 0.00 N ATOM 1083 CA LYS A 72 1.228 13.077 -27.356 1.00 0.00 C ATOM 1084 C LYS A 72 1.601 14.534 -27.643 1.00 0.00 C ATOM 1085 O LYS A 72 2.731 14.824 -28.033 1.00 0.00 O ATOM 1086 CB LYS A 72 0.535 12.378 -28.527 1.00 0.00 C ATOM 1087 CG LYS A 72 0.954 10.909 -28.614 1.00 0.00 C ATOM 1088 CD LYS A 72 2.415 10.780 -29.048 1.00 0.00 C ATOM 1089 CE LYS A 72 3.139 9.712 -28.226 1.00 0.00 C ATOM 1090 NZ LYS A 72 4.117 8.986 -29.066 1.00 0.00 N ATOM 0 H LYS A 72 -0.368 12.348 -26.211 1.00 0.00 H new ATOM 0 HA LYS A 72 2.160 12.534 -27.197 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.546 12.445 -28.407 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.784 12.887 -29.458 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.815 10.430 -27.645 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.313 10.386 -29.323 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.462 10.524 -30.106 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.919 11.739 -28.930 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.650 10.178 -27.383 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.415 9.010 -27.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.599 8.265 -28.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.622 8.526 -29.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.818 9.657 -29.441 1.00 0.00 H new ATOM 1104 N THR A 73 0.629 15.410 -27.439 1.00 0.00 N ATOM 1105 CA THR A 73 0.840 16.828 -27.671 1.00 0.00 C ATOM 1106 C THR A 73 1.408 17.495 -26.417 1.00 0.00 C ATOM 1107 O THR A 73 2.218 18.417 -26.512 1.00 0.00 O ATOM 1108 CB THR A 73 -0.487 17.435 -28.133 1.00 0.00 C ATOM 1109 OG1 THR A 73 -0.646 16.949 -29.463 1.00 0.00 O ATOM 1110 CG2 THR A 73 -0.410 18.954 -28.298 1.00 0.00 C ATOM 0 H THR A 73 -0.307 15.165 -27.116 1.00 0.00 H new ATOM 0 HA THR A 73 1.580 16.994 -28.454 1.00 0.00 H new ATOM 0 HB THR A 73 -1.269 17.187 -27.415 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.483 17.293 -29.839 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.377 19.334 -28.627 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.146 19.411 -27.344 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.349 19.201 -29.041 1.00 0.00 H new ATOM 1118 N TYR A 74 0.962 17.005 -25.270 1.00 0.00 N ATOM 1119 CA TYR A 74 1.416 17.541 -23.998 1.00 0.00 C ATOM 1120 C TYR A 74 2.499 16.652 -23.384 1.00 0.00 C ATOM 1121 O TYR A 74 2.347 16.166 -22.264 1.00 0.00 O ATOM 1122 CB TYR A 74 0.193 17.542 -23.080 1.00 0.00 C ATOM 1123 CG TYR A 74 -1.090 18.035 -23.753 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -1.062 19.160 -24.553 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -2.275 17.354 -23.560 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -2.269 19.622 -25.186 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -3.483 17.818 -24.194 1.00 0.00 C ATOM 1128 CZ TYR A 74 -3.420 18.929 -24.976 1.00 0.00 C ATOM 1129 OH TYR A 74 -4.561 19.367 -25.574 1.00 0.00 O ATOM 0 H TYR A 74 0.290 16.241 -25.195 1.00 0.00 H new ATOM 0 HA TYR A 74 1.840 18.536 -24.130 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.030 16.531 -22.708 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.402 18.171 -22.214 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.135 19.693 -24.704 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.297 16.474 -22.934 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.261 20.500 -25.814 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.417 17.295 -24.051 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.032 19.980 -24.971 1.00 0.00 H new ATOM 1139 N ILE A 75 3.569 16.467 -24.143 1.00 0.00 N ATOM 1140 CA ILE A 75 4.677 15.645 -23.687 1.00 0.00 C ATOM 1141 C ILE A 75 5.967 16.467 -23.729 1.00 0.00 C ATOM 1142 O ILE A 75 6.029 17.498 -24.398 1.00 0.00 O ATOM 1143 CB ILE A 75 4.748 14.346 -24.493 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.473 14.606 -25.976 1.00 0.00 C ATOM 1145 CG2 ILE A 75 3.809 13.288 -23.912 1.00 0.00 C ATOM 1146 CD1 ILE A 75 5.679 15.262 -26.651 1.00 0.00 C ATOM 0 H ILE A 75 3.692 16.872 -25.071 1.00 0.00 H new ATOM 0 HA ILE A 75 4.526 15.342 -22.651 1.00 0.00 H new ATOM 0 HB ILE A 75 5.761 13.952 -24.418 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.239 13.666 -26.476 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.599 15.249 -26.080 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.879 12.375 -24.503 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.094 13.075 -22.881 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.784 13.658 -23.936 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.457 15.436 -27.704 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.896 16.213 -26.164 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.545 14.605 -26.566 1.00 0.00 H new ATOM 1158 N ILE A 76 6.965 15.979 -23.008 1.00 0.00 N ATOM 1159 CA ILE A 76 8.250 16.656 -22.955 1.00 0.00 C ATOM 1160 C ILE A 76 9.355 15.675 -23.351 1.00 0.00 C ATOM 1161 O ILE A 76 10.247 16.018 -24.126 1.00 0.00 O ATOM 1162 CB ILE A 76 8.462 17.298 -21.581 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.543 16.559 -20.792 1.00 0.00 C ATOM 1164 CG2 ILE A 76 7.145 17.384 -20.808 1.00 0.00 C ATOM 1165 CD1 ILE A 76 10.072 17.423 -19.645 1.00 0.00 C ATOM 0 H ILE A 76 6.910 15.123 -22.456 1.00 0.00 H new ATOM 0 HA ILE A 76 8.278 17.476 -23.673 1.00 0.00 H new ATOM 0 HB ILE A 76 8.815 18.318 -21.731 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.136 15.629 -20.394 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.363 16.289 -21.457 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.323 17.844 -19.836 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.432 17.988 -21.370 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.740 16.382 -20.667 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.840 16.874 -19.100 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.500 18.341 -20.048 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.254 17.671 -18.969 1.00 0.00 H new ATOM 1177 N GLY A 77 9.260 14.473 -22.802 1.00 0.00 N ATOM 1178 CA GLY A 77 10.241 13.439 -23.088 1.00 0.00 C ATOM 1179 C GLY A 77 10.346 12.447 -21.929 1.00 0.00 C ATOM 1180 O GLY A 77 9.396 11.720 -21.641 1.00 0.00 O ATOM 0 H GLY A 77 8.519 14.192 -22.160 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.962 12.910 -24.000 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.214 13.896 -23.269 1.00 0.00 H new ATOM 1184 N GLU A 78 11.509 12.447 -21.294 1.00 0.00 N ATOM 1185 CA GLU A 78 11.751 11.556 -20.174 1.00 0.00 C ATOM 1186 C GLU A 78 13.000 11.995 -19.405 1.00 0.00 C ATOM 1187 O GLU A 78 14.094 12.040 -19.966 1.00 0.00 O ATOM 1188 CB GLU A 78 11.878 10.106 -20.644 1.00 0.00 C ATOM 1189 CG GLU A 78 12.856 9.993 -21.814 1.00 0.00 C ATOM 1190 CD GLU A 78 12.794 8.601 -22.448 1.00 0.00 C ATOM 1191 OE1 GLU A 78 13.554 7.728 -21.976 1.00 0.00 O ATOM 1192 OE2 GLU A 78 11.989 8.442 -23.390 1.00 0.00 O ATOM 0 H GLU A 78 12.295 13.051 -21.535 1.00 0.00 H new ATOM 0 HA GLU A 78 10.896 11.611 -19.500 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.219 9.481 -19.819 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.900 9.731 -20.945 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.621 10.749 -22.563 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.869 10.193 -21.466 1.00 0.00 H new ATOM 1199 N LEU A 79 12.793 12.308 -18.134 1.00 0.00 N ATOM 1200 CA LEU A 79 13.889 12.742 -17.284 1.00 0.00 C ATOM 1201 C LEU A 79 15.069 11.782 -17.450 1.00 0.00 C ATOM 1202 O LEU A 79 14.902 10.666 -17.940 1.00 0.00 O ATOM 1203 CB LEU A 79 13.416 12.893 -15.837 1.00 0.00 C ATOM 1204 CG LEU A 79 13.573 11.657 -14.948 1.00 0.00 C ATOM 1205 CD1 LEU A 79 13.276 10.377 -15.731 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.957 11.622 -14.296 1.00 0.00 C ATOM 0 H LEU A 79 11.884 12.270 -17.673 1.00 0.00 H new ATOM 0 HA LEU A 79 14.238 13.730 -17.585 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.965 13.717 -15.380 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.364 13.178 -15.847 1.00 0.00 H new ATOM 0 HG LEU A 79 12.840 11.720 -14.144 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.395 9.514 -15.076 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.253 10.409 -16.107 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.968 10.294 -16.569 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.042 10.734 -13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.723 11.595 -15.071 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.093 12.513 -13.683 1.00 0.00 H new ATOM 1218 N HIS A 80 16.236 12.250 -17.030 1.00 0.00 N ATOM 1219 CA HIS A 80 17.442 11.446 -17.125 1.00 0.00 C ATOM 1220 C HIS A 80 17.124 9.997 -16.753 1.00 0.00 C ATOM 1221 O HIS A 80 16.313 9.743 -15.864 1.00 0.00 O ATOM 1222 CB HIS A 80 18.562 12.046 -16.273 1.00 0.00 C ATOM 1223 CG HIS A 80 19.949 11.793 -16.814 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.797 10.835 -16.287 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.625 12.382 -17.842 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.930 10.856 -16.973 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.822 11.816 -17.936 1.00 0.00 N ATOM 0 H HIS A 80 16.371 13.176 -16.623 1.00 0.00 H new ATOM 0 HA HIS A 80 17.805 11.448 -18.153 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.406 13.122 -16.191 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.496 11.637 -15.265 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.250 13.175 -18.473 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.789 10.224 -16.800 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.542 12.059 -18.616 1.00 0.00 H new ATOM 1235 N PRO A 81 17.797 9.059 -17.471 1.00 0.00 N ATOM 1236 CA PRO A 81 17.595 7.641 -17.225 1.00 0.00 C ATOM 1237 C PRO A 81 18.292 7.203 -15.935 1.00 0.00 C ATOM 1238 O PRO A 81 17.856 6.257 -15.281 1.00 0.00 O ATOM 1239 CB PRO A 81 18.144 6.945 -18.461 1.00 0.00 C ATOM 1240 CG PRO A 81 19.049 7.958 -19.143 1.00 0.00 C ATOM 1241 CD PRO A 81 18.766 9.322 -18.532 1.00 0.00 C ATOM 0 HA PRO A 81 16.546 7.386 -17.073 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.698 6.047 -18.189 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.337 6.633 -19.124 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.096 7.688 -19.006 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.862 7.975 -20.217 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.675 9.774 -18.135 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.364 10.012 -19.273 1.00 0.00 H new ATOM 1249 N ASP A 82 19.361 7.913 -15.607 1.00 0.00 N ATOM 1250 CA ASP A 82 20.122 7.610 -14.407 1.00 0.00 C ATOM 1251 C ASP A 82 19.310 8.023 -13.177 1.00 0.00 C ATOM 1252 O ASP A 82 19.256 7.291 -12.190 1.00 0.00 O ATOM 1253 CB ASP A 82 21.443 8.380 -14.382 1.00 0.00 C ATOM 1254 CG ASP A 82 22.593 7.668 -13.669 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.331 6.577 -13.118 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.710 8.230 -13.691 1.00 0.00 O ATOM 0 H ASP A 82 19.718 8.698 -16.152 1.00 0.00 H new ATOM 0 HA ASP A 82 20.330 6.540 -14.400 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.745 8.587 -15.409 1.00 0.00 H new ATOM 0 HB3 ASP A 82 21.276 9.342 -13.898 1.00 0.00 H new ATOM 1261 N ASP A 83 18.700 9.195 -13.277 1.00 0.00 N ATOM 1262 CA ASP A 83 17.894 9.714 -12.184 1.00 0.00 C ATOM 1263 C ASP A 83 16.599 8.907 -12.083 1.00 0.00 C ATOM 1264 O ASP A 83 16.048 8.743 -10.996 1.00 0.00 O ATOM 1265 CB ASP A 83 17.523 11.179 -12.423 1.00 0.00 C ATOM 1266 CG ASP A 83 18.583 12.194 -11.993 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.693 12.132 -12.566 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.262 13.009 -11.101 1.00 0.00 O ATOM 0 H ASP A 83 18.747 9.800 -14.097 1.00 0.00 H new ATOM 0 HA ASP A 83 18.477 9.635 -11.266 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.319 11.318 -13.485 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.597 11.395 -11.890 1.00 0.00 H new ATOM 1273 N ARG A 84 16.149 8.425 -13.232 1.00 0.00 N ATOM 1274 CA ARG A 84 14.928 7.639 -13.288 1.00 0.00 C ATOM 1275 C ARG A 84 15.066 6.383 -12.425 1.00 0.00 C ATOM 1276 O ARG A 84 14.093 5.928 -11.824 1.00 0.00 O ATOM 1277 CB ARG A 84 14.601 7.228 -14.725 1.00 0.00 C ATOM 1278 CG ARG A 84 13.885 5.877 -14.760 1.00 0.00 C ATOM 1279 CD ARG A 84 14.891 4.728 -14.867 1.00 0.00 C ATOM 1280 NE ARG A 84 14.345 3.657 -15.732 1.00 0.00 N ATOM 1281 CZ ARG A 84 15.095 2.734 -16.348 1.00 0.00 C ATOM 1282 NH1 ARG A 84 16.427 2.744 -16.198 1.00 0.00 N ATOM 1283 NH2 ARG A 84 14.514 1.799 -17.113 1.00 0.00 N ATOM 0 H ARG A 84 16.608 8.564 -14.132 1.00 0.00 H new ATOM 0 HA ARG A 84 14.117 8.260 -12.907 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.974 7.988 -15.190 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.520 7.172 -15.309 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.284 5.756 -13.859 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.200 5.846 -15.607 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.832 5.094 -15.278 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.109 4.331 -13.876 1.00 0.00 H new ATOM 0 HE ARG A 84 13.335 3.620 -15.867 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.869 3.454 -15.615 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.998 2.041 -16.667 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.500 1.790 -17.226 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.086 1.096 -17.582 1.00 0.00 H new ATOM 1297 N SER A 85 16.281 5.858 -12.391 1.00 0.00 N ATOM 1298 CA SER A 85 16.559 4.662 -11.613 1.00 0.00 C ATOM 1299 C SER A 85 16.814 5.038 -10.151 1.00 0.00 C ATOM 1300 O SER A 85 16.907 4.166 -9.289 1.00 0.00 O ATOM 1301 CB SER A 85 17.758 3.900 -12.182 1.00 0.00 C ATOM 1302 OG SER A 85 18.127 2.795 -11.360 1.00 0.00 O ATOM 0 H SER A 85 17.085 6.239 -12.890 1.00 0.00 H new ATOM 0 HA SER A 85 15.689 4.008 -11.668 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.519 3.543 -13.184 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.606 4.578 -12.280 1.00 0.00 H new ATOM 0 HG SER A 85 17.687 2.875 -10.488 1.00 0.00 H new ATOM 1308 N LYS A 86 16.920 6.338 -9.917 1.00 0.00 N ATOM 1309 CA LYS A 86 17.162 6.840 -8.575 1.00 0.00 C ATOM 1310 C LYS A 86 15.822 7.074 -7.874 1.00 0.00 C ATOM 1311 O LYS A 86 15.751 7.065 -6.646 1.00 0.00 O ATOM 1312 CB LYS A 86 18.057 8.079 -8.620 1.00 0.00 C ATOM 1313 CG LYS A 86 19.425 7.746 -9.222 1.00 0.00 C ATOM 1314 CD LYS A 86 20.416 7.330 -8.134 1.00 0.00 C ATOM 1315 CE LYS A 86 21.697 8.164 -8.211 1.00 0.00 C ATOM 1316 NZ LYS A 86 22.657 7.736 -7.170 1.00 0.00 N ATOM 0 H LYS A 86 16.843 7.059 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 86 17.707 6.103 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.576 8.858 -9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 86 18.186 8.476 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.320 6.942 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.811 8.613 -9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.957 7.452 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.659 6.273 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 86 22.149 8.057 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.459 9.220 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 23.520 8.312 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 22.229 7.861 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.898 6.734 -7.310 1.00 0.00 H new ATOM 1330 N ILE A 87 14.794 7.278 -8.684 1.00 0.00 N ATOM 1331 CA ILE A 87 13.461 7.514 -8.156 1.00 0.00 C ATOM 1332 C ILE A 87 13.006 6.288 -7.363 1.00 0.00 C ATOM 1333 O ILE A 87 12.026 6.351 -6.623 1.00 0.00 O ATOM 1334 CB ILE A 87 12.502 7.909 -9.281 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.683 9.379 -9.666 1.00 0.00 C ATOM 1336 CG2 ILE A 87 11.054 7.590 -8.904 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.454 9.907 -10.409 1.00 0.00 C ATOM 0 H ILE A 87 14.857 7.285 -9.702 1.00 0.00 H new ATOM 0 HA ILE A 87 13.469 8.356 -7.464 1.00 0.00 H new ATOM 0 HB ILE A 87 12.745 7.314 -10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.854 9.975 -8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.567 9.488 -10.295 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.393 7.880 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.953 6.521 -8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.782 8.141 -8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.609 10.954 -10.671 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.300 9.325 -11.317 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.576 9.819 -9.769 1.00 0.00 H new ATOM 1349 N ALA A 88 13.741 5.200 -7.543 1.00 0.00 N ATOM 1350 CA ALA A 88 13.425 3.961 -6.854 1.00 0.00 C ATOM 1351 C ALA A 88 13.368 4.221 -5.347 1.00 0.00 C ATOM 1352 O ALA A 88 14.362 4.041 -4.645 1.00 0.00 O ATOM 1353 CB ALA A 88 14.458 2.894 -7.223 1.00 0.00 C ATOM 0 H ALA A 88 14.555 5.151 -8.156 1.00 0.00 H new ATOM 0 HA ALA A 88 12.448 3.589 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.221 1.964 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.439 2.726 -8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.451 3.231 -6.926 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.217 12.515 -15.768 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.565 12.247 -15.698 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.294 12.641 -19.162 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.852 12.808 -15.819 1.00 0.00 C HETATM 1364 CHD HEM A 95 -6.123 12.411 -12.358 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.667 12.442 -17.140 1.00 0.00 N HETATM 1366 C1A HEM A 95 -9.008 12.340 -16.897 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.711 12.327 -18.177 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.786 12.445 -19.144 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.509 12.528 -18.495 1.00 0.00 C HETATM 1370 CMA HEM A 95 -9.071 12.436 -20.638 1.00 0.00 C HETATM 1371 CAA HEM A 95 -11.073 11.618 -18.507 1.00 0.00 C HETATM 1372 CBA HEM A 95 -11.411 10.191 -18.015 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.175 9.369 -17.674 1.00 0.00 C HETATM 1374 O1A HEM A 95 -9.653 9.499 -16.539 1.00 0.00 O HETATM 1375 O2A HEM A 95 -9.717 8.570 -18.531 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.838 12.680 -17.196 1.00 0.00 N HETATM 1377 C1B HEM A 95 -5.067 12.709 -18.538 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.813 12.849 -19.261 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.846 12.896 -18.332 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.485 12.808 -17.018 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.596 12.905 -20.764 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.367 13.023 -18.601 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.675 12.669 -19.543 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.766 12.609 -14.366 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.425 12.721 -14.596 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.705 12.725 -13.343 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.658 12.633 -12.343 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.927 12.535 -12.996 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.236 12.847 -13.102 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.347 12.618 -10.882 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.627 11.998 -10.325 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.595 12.365 -14.318 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.359 12.335 -12.957 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.645 12.204 -12.244 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.570 12.159 -13.189 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.931 12.263 -14.480 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.820 12.149 -10.757 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.177 12.276 -13.127 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.828 10.990 -13.693 1.00 0.00 C HETATM 1400 CGD HEM A 95 -13.239 11.257 -14.216 1.00 0.00 C HETATM 1401 O1D HEM A 95 -13.649 12.337 -14.638 1.00 0.00 O HETATM 1402 O2D HEM A 95 -14.017 10.244 -13.860 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.302 13.007 -21.158 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -10.046 12.885 -20.825 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -9.069 11.409 -21.003 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.718 13.513 -20.982 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.471 13.346 -21.242 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.444 11.896 -21.147 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -1.064 13.332 -12.141 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -0.785 13.444 -13.895 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -0.785 11.855 -13.094 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -9.787 12.573 -10.489 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -8.027 12.721 -10.276 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.773 11.112 -10.423 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.397 12.864 -19.535 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -1.130 12.158 -20.392 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -2.525 12.117 -9.246 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -2.016 11.265 -10.852 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -11.983 9.674 -18.785 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -12.050 10.258 -17.134 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.160 11.601 -19.593 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.862 12.271 -18.134 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -11.866 10.228 -12.915 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -11.210 10.593 -14.498 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.508 13.143 -13.699 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.498 12.432 -12.097 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.640 12.147 -15.676 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.313 12.678 -20.241 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.775 12.886 -15.842 1.00 0.00 H new HETATM 0 HHD HEM A 95 -6.099 12.368 -11.279 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.813 13.524 -17.807 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.916 13.325 -10.278 1.00 0.00 H new