USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 31 CYS SG : rot 148:sc= -7.54! USER MOD Set 1.2: A 34 HIS : no HD1:sc= -26.2! C(o=-40!,f=-38!) USER MOD Set 1.3: A 37 THR OG1 : rot 72:sc= -0.622 USER MOD Set 1.4: A 86 CYS SG : rot -105:sc= -5.86 USER MOD Set 1.5: A 88 SER OG : rot 180:sc=-0.00525 USER MOD Set 1.6: A 89 CYS SG : rot 180:sc= 0.258 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -177:sc= -2.31! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0716 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0.536 (180deg=0.522) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -132:sc= -0.0073 (180deg=-1.62!) USER MOD Single : A 78 CYS SG : rot 68:sc= -3.42! USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 2.829 -2.539 -5.907 1.00 0.00 N ATOM 29 CA ALA A 18 4.005 -2.604 -6.758 1.00 0.00 C ATOM 30 C ALA A 18 4.855 -3.811 -6.357 1.00 0.00 C ATOM 31 O ALA A 18 5.546 -4.394 -7.191 1.00 0.00 O ATOM 32 CB ALA A 18 4.780 -1.288 -6.660 1.00 0.00 C ATOM 0 HA ALA A 18 3.716 -2.736 -7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.662 -1.337 -7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.143 -0.465 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.088 -1.123 -5.628 1.00 0.00 H new ATOM 38 N VAL A 19 4.775 -4.152 -5.079 1.00 0.00 N ATOM 39 CA VAL A 19 5.528 -5.279 -4.556 1.00 0.00 C ATOM 40 C VAL A 19 4.844 -6.582 -4.976 1.00 0.00 C ATOM 41 O VAL A 19 5.497 -7.498 -5.472 1.00 0.00 O ATOM 42 CB VAL A 19 5.684 -5.147 -3.040 1.00 0.00 C ATOM 43 CG1 VAL A 19 5.780 -3.678 -2.625 1.00 0.00 C ATOM 44 CG2 VAL A 19 4.538 -5.850 -2.308 1.00 0.00 C ATOM 0 H VAL A 19 4.200 -3.667 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 19 6.535 -5.291 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 19 6.615 -5.637 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.890 -3.612 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.644 -3.220 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.874 -3.154 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.673 -5.741 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.589 -5.402 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.535 -6.908 -2.568 1.00 0.00 H new ATOM 54 N TYR A 20 3.537 -6.622 -4.761 1.00 0.00 N ATOM 55 CA TYR A 20 2.757 -7.797 -5.110 1.00 0.00 C ATOM 56 C TYR A 20 2.768 -8.033 -6.622 1.00 0.00 C ATOM 57 O TYR A 20 2.701 -9.174 -7.077 1.00 0.00 O ATOM 58 CB TYR A 20 1.324 -7.501 -4.662 1.00 0.00 C ATOM 59 CG TYR A 20 0.931 -8.179 -3.348 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.697 -7.987 -2.216 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.190 -8.981 -3.294 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.327 -8.624 -0.979 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.561 -9.619 -2.057 1.00 0.00 C ATOM 64 CZ TYR A 20 0.216 -9.409 -0.961 1.00 0.00 C ATOM 65 OH TYR A 20 -0.134 -10.011 0.207 1.00 0.00 O ATOM 0 H TYR A 20 2.999 -5.860 -4.349 1.00 0.00 H new ATOM 0 HA TYR A 20 3.169 -8.686 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.203 -6.423 -4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.636 -7.821 -5.444 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.574 -7.359 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.790 -9.131 -4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.918 -8.482 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.436 -10.250 -2.001 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.948 -10.539 0.072 1.00 0.00 H new ATOM 75 N ILE A 21 2.852 -6.935 -7.359 1.00 0.00 N ATOM 76 CA ILE A 21 2.872 -7.007 -8.810 1.00 0.00 C ATOM 77 C ILE A 21 4.264 -7.442 -9.275 1.00 0.00 C ATOM 78 O ILE A 21 4.390 -8.256 -10.189 1.00 0.00 O ATOM 79 CB ILE A 21 2.406 -5.684 -9.419 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.540 -5.925 -10.657 1.00 0.00 C ATOM 81 CG2 ILE A 21 3.595 -4.769 -9.720 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.187 -6.954 -11.587 1.00 0.00 C ATOM 0 H ILE A 21 2.907 -5.990 -6.978 1.00 0.00 H new ATOM 0 HA ILE A 21 2.167 -7.759 -9.164 1.00 0.00 H new ATOM 0 HB ILE A 21 1.784 -5.171 -8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.553 -6.274 -10.353 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.395 -4.986 -11.192 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.235 -3.835 -10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.134 -4.557 -8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.264 -5.262 -10.426 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.551 -7.107 -12.459 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.163 -6.591 -11.909 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.308 -7.898 -11.056 1.00 0.00 H new ATOM 94 N ALA A 22 5.272 -6.879 -8.626 1.00 0.00 N ATOM 95 CA ALA A 22 6.649 -7.198 -8.962 1.00 0.00 C ATOM 96 C ALA A 22 6.924 -8.666 -8.628 1.00 0.00 C ATOM 97 O ALA A 22 7.542 -9.381 -9.416 1.00 0.00 O ATOM 98 CB ALA A 22 7.590 -6.246 -8.220 1.00 0.00 C ATOM 0 H ALA A 22 5.163 -6.204 -7.869 1.00 0.00 H new ATOM 0 HA ALA A 22 6.824 -7.064 -10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.623 -6.486 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.374 -5.219 -8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.444 -6.355 -7.145 1.00 0.00 H new ATOM 104 N ILE A 23 6.453 -9.072 -7.458 1.00 0.00 N ATOM 105 CA ILE A 23 6.640 -10.442 -7.010 1.00 0.00 C ATOM 106 C ILE A 23 5.824 -11.381 -7.901 1.00 0.00 C ATOM 107 O ILE A 23 6.245 -12.504 -8.175 1.00 0.00 O ATOM 108 CB ILE A 23 6.313 -10.568 -5.521 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.844 -10.234 -5.252 1.00 0.00 C ATOM 110 CG2 ILE A 23 7.259 -9.711 -4.677 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.970 -11.486 -5.355 1.00 0.00 C ATOM 0 H ILE A 23 5.942 -8.476 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 23 7.685 -10.736 -7.109 1.00 0.00 H new ATOM 0 HB ILE A 23 6.467 -11.605 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.743 -9.796 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.500 -9.486 -5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.005 -9.819 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.287 -10.037 -4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.161 -8.665 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.931 -11.221 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.055 -11.908 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.301 -12.222 -4.622 1.00 0.00 H new ATOM 123 N GLU A 24 4.671 -10.887 -8.328 1.00 0.00 N ATOM 124 CA GLU A 24 3.792 -11.668 -9.181 1.00 0.00 C ATOM 125 C GLU A 24 4.123 -11.417 -10.654 1.00 0.00 C ATOM 126 O GLU A 24 3.528 -12.029 -11.540 1.00 0.00 O ATOM 127 CB GLU A 24 2.324 -11.356 -8.888 1.00 0.00 C ATOM 128 CG GLU A 24 1.811 -10.233 -9.793 1.00 0.00 C ATOM 129 CD GLU A 24 0.585 -9.552 -9.180 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.277 -9.776 -8.000 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.056 -8.765 -9.976 1.00 0.00 O ATOM 0 H GLU A 24 4.325 -9.955 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 24 3.954 -12.724 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.721 -12.252 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.212 -11.066 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.600 -9.497 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.555 -10.638 -10.772 1.00 0.00 H new ATOM 139 N ALA A 25 5.071 -10.517 -10.870 1.00 0.00 N ATOM 140 CA ALA A 25 5.488 -10.179 -12.220 1.00 0.00 C ATOM 141 C ALA A 25 6.155 -11.395 -12.863 1.00 0.00 C ATOM 142 O ALA A 25 6.417 -11.402 -14.065 1.00 0.00 O ATOM 143 CB ALA A 25 6.412 -8.960 -12.178 1.00 0.00 C ATOM 0 H ALA A 25 5.562 -10.012 -10.133 1.00 0.00 H new ATOM 0 HA ALA A 25 4.627 -9.914 -12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.725 -8.706 -13.191 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.880 -8.115 -11.740 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.290 -9.189 -11.574 1.00 0.00 H new ATOM 149 N GLY A 26 6.413 -12.397 -12.035 1.00 0.00 N ATOM 150 CA GLY A 26 7.045 -13.616 -12.508 1.00 0.00 C ATOM 151 C GLY A 26 7.903 -14.250 -11.411 1.00 0.00 C ATOM 152 O GLY A 26 8.305 -15.407 -11.523 1.00 0.00 O ATOM 0 H GLY A 26 6.195 -12.389 -11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.282 -14.323 -12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.665 -13.395 -13.377 1.00 0.00 H new ATOM 156 N THR A 27 8.157 -13.465 -10.375 1.00 0.00 N ATOM 157 CA THR A 27 8.960 -13.935 -9.259 1.00 0.00 C ATOM 158 C THR A 27 8.352 -15.206 -8.663 1.00 0.00 C ATOM 159 O THR A 27 9.051 -16.200 -8.468 1.00 0.00 O ATOM 160 CB THR A 27 9.084 -12.791 -8.250 1.00 0.00 C ATOM 161 OG1 THR A 27 10.437 -12.361 -8.377 1.00 0.00 O ATOM 162 CG2 THR A 27 8.980 -13.273 -6.802 1.00 0.00 C ATOM 0 H THR A 27 7.821 -12.506 -10.285 1.00 0.00 H new ATOM 0 HA THR A 27 9.963 -14.212 -9.583 1.00 0.00 H new ATOM 0 HB THR A 27 8.307 -12.052 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.619 -11.655 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.074 -12.422 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.014 -13.753 -6.647 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.777 -13.988 -6.598 1.00 0.00 H new ATOM 170 N LEU A 28 7.058 -15.134 -8.391 1.00 0.00 N ATOM 171 CA LEU A 28 6.348 -16.267 -7.821 1.00 0.00 C ATOM 172 C LEU A 28 5.045 -16.487 -8.592 1.00 0.00 C ATOM 173 O LEU A 28 4.698 -15.698 -9.470 1.00 0.00 O ATOM 174 CB LEU A 28 6.147 -16.072 -6.317 1.00 0.00 C ATOM 175 CG LEU A 28 5.622 -14.702 -5.882 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.102 -14.625 -6.031 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.077 -14.367 -4.460 1.00 0.00 C ATOM 0 H LEU A 28 6.482 -14.308 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 28 6.938 -17.178 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.454 -16.834 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.099 -16.249 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 28 6.048 -13.947 -6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.755 -13.641 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.830 -14.788 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.636 -15.391 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.690 -13.388 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.699 -15.121 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.166 -14.352 -4.420 1.00 0.00 H new ATOM 189 N ALA A 29 4.359 -17.563 -8.237 1.00 0.00 N ATOM 190 CA ALA A 29 3.102 -17.896 -8.884 1.00 0.00 C ATOM 191 C ALA A 29 2.096 -18.358 -7.828 1.00 0.00 C ATOM 192 O ALA A 29 2.481 -18.754 -6.729 1.00 0.00 O ATOM 193 CB ALA A 29 3.347 -18.957 -9.959 1.00 0.00 C ATOM 0 H ALA A 29 4.650 -18.216 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 29 2.681 -17.021 -9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.404 -19.207 -10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.045 -18.569 -10.700 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.766 -19.851 -9.498 1.00 0.00 H new ATOM 199 N GLU A 30 0.825 -18.291 -8.198 1.00 0.00 N ATOM 200 CA GLU A 30 -0.239 -18.698 -7.296 1.00 0.00 C ATOM 201 C GLU A 30 -1.436 -19.224 -8.090 1.00 0.00 C ATOM 202 O GLU A 30 -1.771 -18.687 -9.145 1.00 0.00 O ATOM 203 CB GLU A 30 -0.654 -17.543 -6.381 1.00 0.00 C ATOM 204 CG GLU A 30 -1.447 -16.489 -7.155 1.00 0.00 C ATOM 205 CD GLU A 30 -0.516 -15.595 -7.977 1.00 0.00 C ATOM 206 OE1 GLU A 30 0.037 -16.045 -8.992 1.00 0.00 O ATOM 207 OE2 GLU A 30 -0.377 -14.394 -7.529 1.00 0.00 O ATOM 0 H GLU A 30 0.509 -17.961 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 30 0.136 -19.503 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.257 -17.925 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.232 -17.086 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.162 -16.979 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.022 -15.878 -6.459 1.00 0.00 H new ATOM 215 N CYS A 31 -2.048 -20.270 -7.553 1.00 0.00 N ATOM 216 CA CYS A 31 -3.201 -20.875 -8.199 1.00 0.00 C ATOM 217 C CYS A 31 -4.269 -19.796 -8.385 1.00 0.00 C ATOM 218 O CYS A 31 -4.722 -19.192 -7.414 1.00 0.00 O ATOM 219 CB CYS A 31 -3.730 -22.071 -7.406 1.00 0.00 C ATOM 220 SG CYS A 31 -3.965 -23.505 -8.518 1.00 0.00 S ATOM 0 H CYS A 31 -1.767 -20.714 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.910 -21.268 -9.173 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.031 -22.328 -6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.675 -21.812 -6.929 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.739 -24.604 -7.862 1.00 0.00 H new ATOM 225 N GLU A 32 -4.641 -19.586 -9.639 1.00 0.00 N ATOM 226 CA GLU A 32 -5.648 -18.590 -9.965 1.00 0.00 C ATOM 227 C GLU A 32 -7.050 -19.156 -9.730 1.00 0.00 C ATOM 228 O GLU A 32 -8.045 -18.459 -9.922 1.00 0.00 O ATOM 229 CB GLU A 32 -5.488 -18.100 -11.405 1.00 0.00 C ATOM 230 CG GLU A 32 -6.362 -16.871 -11.666 1.00 0.00 C ATOM 231 CD GLU A 32 -6.158 -15.813 -10.579 1.00 0.00 C ATOM 232 OE1 GLU A 32 -7.120 -15.138 -10.184 1.00 0.00 O ATOM 233 OE2 GLU A 32 -4.949 -15.705 -10.143 1.00 0.00 O ATOM 0 H GLU A 32 -4.263 -20.089 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.509 -17.732 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.443 -17.855 -11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.760 -18.897 -12.097 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.119 -16.448 -12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.411 -17.166 -11.699 1.00 0.00 H new ATOM 241 N VAL A 33 -7.083 -20.414 -9.317 1.00 0.00 N ATOM 242 CA VAL A 33 -8.347 -21.082 -9.054 1.00 0.00 C ATOM 243 C VAL A 33 -8.528 -21.244 -7.543 1.00 0.00 C ATOM 244 O VAL A 33 -9.599 -21.636 -7.081 1.00 0.00 O ATOM 245 CB VAL A 33 -8.404 -22.411 -9.809 1.00 0.00 C ATOM 246 CG1 VAL A 33 -7.016 -22.816 -10.311 1.00 0.00 C ATOM 247 CG2 VAL A 33 -9.014 -23.511 -8.938 1.00 0.00 C ATOM 0 H VAL A 33 -6.255 -20.989 -9.158 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.180 -20.481 -9.419 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.049 -22.275 -10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.084 -23.764 -10.844 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.634 -22.048 -10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.340 -22.925 -9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.043 -24.445 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.407 -23.644 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.027 -23.228 -8.652 1.00 0.00 H new ATOM 257 N HIS A 34 -7.465 -20.934 -6.815 1.00 0.00 N ATOM 258 CA HIS A 34 -7.494 -21.040 -5.366 1.00 0.00 C ATOM 259 C HIS A 34 -7.010 -19.729 -4.746 1.00 0.00 C ATOM 260 O HIS A 34 -5.807 -19.498 -4.632 1.00 0.00 O ATOM 261 CB HIS A 34 -6.688 -22.252 -4.895 1.00 0.00 C ATOM 262 CG HIS A 34 -6.711 -23.417 -5.856 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.458 -23.277 -7.209 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.958 -24.742 -5.645 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.553 -24.471 -7.778 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.863 -25.377 -6.806 1.00 0.00 N ATOM 0 H HIS A 34 -6.579 -20.610 -7.201 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.518 -21.204 -5.030 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.654 -21.947 -4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.077 -22.582 -3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.191 -25.197 -4.694 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.410 -24.688 -8.826 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.999 -26.378 -6.949 1.00 0.00 H new ATOM 274 N GLU A 35 -7.971 -18.903 -4.361 1.00 0.00 N ATOM 275 CA GLU A 35 -7.658 -17.620 -3.755 1.00 0.00 C ATOM 276 C GLU A 35 -7.112 -17.820 -2.340 1.00 0.00 C ATOM 277 O GLU A 35 -7.766 -18.437 -1.500 1.00 0.00 O ATOM 278 CB GLU A 35 -8.884 -16.704 -3.745 1.00 0.00 C ATOM 279 CG GLU A 35 -9.146 -16.123 -5.135 1.00 0.00 C ATOM 280 CD GLU A 35 -9.733 -17.182 -6.071 1.00 0.00 C ATOM 281 OE1 GLU A 35 -10.935 -17.478 -5.997 1.00 0.00 O ATOM 282 OE2 GLU A 35 -8.892 -17.705 -6.898 1.00 0.00 O ATOM 0 H GLU A 35 -8.968 -19.097 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.888 -17.135 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.758 -17.263 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.731 -15.894 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.833 -15.280 -5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.216 -15.738 -5.553 1.00 0.00 H new ATOM 290 N GLY A 36 -5.919 -17.288 -2.120 1.00 0.00 N ATOM 291 CA GLY A 36 -5.277 -17.401 -0.821 1.00 0.00 C ATOM 292 C GLY A 36 -4.054 -18.318 -0.892 1.00 0.00 C ATOM 293 O GLY A 36 -3.125 -18.182 -0.097 1.00 0.00 O ATOM 0 H GLY A 36 -5.380 -16.777 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.976 -16.413 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.988 -17.792 -0.093 1.00 0.00 H new ATOM 297 N THR A 37 -4.094 -19.231 -1.851 1.00 0.00 N ATOM 298 CA THR A 37 -3.000 -20.170 -2.035 1.00 0.00 C ATOM 299 C THR A 37 -1.952 -19.588 -2.987 1.00 0.00 C ATOM 300 O THR A 37 -2.287 -19.123 -4.075 1.00 0.00 O ATOM 301 CB THR A 37 -3.592 -21.495 -2.520 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.949 -21.180 -2.820 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.689 -22.536 -1.403 1.00 0.00 C ATOM 0 H THR A 37 -4.866 -19.341 -2.509 1.00 0.00 H new ATOM 0 HA THR A 37 -2.475 -20.355 -1.098 1.00 0.00 H new ATOM 0 HB THR A 37 -2.982 -21.890 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.986 -20.631 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.115 -23.457 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.694 -22.738 -1.007 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.327 -22.155 -0.605 1.00 0.00 H new ATOM 311 N TYR A 38 -0.705 -19.633 -2.541 1.00 0.00 N ATOM 312 CA TYR A 38 0.393 -19.117 -3.339 1.00 0.00 C ATOM 313 C TYR A 38 1.625 -20.016 -3.224 1.00 0.00 C ATOM 314 O TYR A 38 1.640 -20.956 -2.431 1.00 0.00 O ATOM 315 CB TYR A 38 0.725 -17.740 -2.759 1.00 0.00 C ATOM 316 CG TYR A 38 -0.235 -16.632 -3.196 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.505 -16.569 -2.661 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.170 -15.696 -4.126 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.409 -15.526 -3.073 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.734 -14.653 -4.538 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.979 -14.620 -3.991 1.00 0.00 C ATOM 322 OH TYR A 38 -2.832 -13.635 -4.380 1.00 0.00 O ATOM 0 H TYR A 38 -0.431 -20.019 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 38 0.114 -19.071 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.718 -17.804 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.738 -17.467 -3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.821 -17.302 -1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.164 -15.746 -4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.406 -15.465 -2.662 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.430 -13.914 -5.265 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.389 -13.060 -5.039 1.00 0.00 H new ATOM 332 N PHE A 39 2.630 -19.696 -4.027 1.00 0.00 N ATOM 333 CA PHE A 39 3.863 -20.464 -4.025 1.00 0.00 C ATOM 334 C PHE A 39 4.960 -19.742 -4.810 1.00 0.00 C ATOM 335 O PHE A 39 4.795 -19.457 -5.995 1.00 0.00 O ATOM 336 CB PHE A 39 3.560 -21.800 -4.706 1.00 0.00 C ATOM 337 CG PHE A 39 3.476 -21.715 -6.232 1.00 0.00 C ATOM 338 CD1 PHE A 39 4.610 -21.786 -6.980 1.00 0.00 C ATOM 339 CD2 PHE A 39 2.269 -21.569 -6.840 1.00 0.00 C ATOM 340 CE1 PHE A 39 4.532 -21.707 -8.396 1.00 0.00 C ATOM 341 CE2 PHE A 39 2.191 -21.491 -8.255 1.00 0.00 C ATOM 342 CZ PHE A 39 3.325 -21.562 -9.003 1.00 0.00 C ATOM 0 H PHE A 39 2.615 -18.915 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 39 4.215 -20.600 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.333 -22.518 -4.434 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.616 -22.187 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.569 -21.902 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.369 -21.512 -6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.432 -21.762 -8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.232 -21.375 -8.738 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.266 -21.503 -10.080 1.00 0.00 H new ATOM 352 N SER A 40 6.055 -19.466 -4.118 1.00 0.00 N ATOM 353 CA SER A 40 7.179 -18.782 -4.736 1.00 0.00 C ATOM 354 C SER A 40 8.235 -19.800 -5.172 1.00 0.00 C ATOM 355 O SER A 40 8.443 -20.809 -4.502 1.00 0.00 O ATOM 356 CB SER A 40 7.793 -17.757 -3.780 1.00 0.00 C ATOM 357 OG SER A 40 8.912 -17.092 -4.358 1.00 0.00 O ATOM 0 H SER A 40 6.188 -19.703 -3.135 1.00 0.00 H new ATOM 0 HA SER A 40 6.814 -18.248 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.038 -17.022 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.103 -18.257 -2.862 1.00 0.00 H new ATOM 0 HG SER A 40 9.275 -16.445 -3.718 1.00 0.00 H new ATOM 363 N ASP A 41 8.873 -19.498 -6.294 1.00 0.00 N ATOM 364 CA ASP A 41 9.902 -20.374 -6.828 1.00 0.00 C ATOM 365 C ASP A 41 10.752 -20.916 -5.677 1.00 0.00 C ATOM 366 O ASP A 41 11.666 -20.242 -5.205 1.00 0.00 O ATOM 367 CB ASP A 41 10.827 -19.618 -7.783 1.00 0.00 C ATOM 368 CG ASP A 41 11.145 -20.349 -9.089 1.00 0.00 C ATOM 369 OD1 ASP A 41 10.775 -19.896 -10.182 1.00 0.00 O ATOM 370 OD2 ASP A 41 11.812 -21.445 -8.951 1.00 0.00 O ATOM 0 H ASP A 41 8.697 -18.659 -6.847 1.00 0.00 H new ATOM 0 HA ASP A 41 9.410 -21.183 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.370 -18.658 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.763 -19.405 -7.266 1.00 0.00 H new ATOM 376 N SER A 42 10.420 -22.128 -5.258 1.00 0.00 N ATOM 377 CA SER A 42 11.141 -22.768 -4.171 1.00 0.00 C ATOM 378 C SER A 42 12.538 -23.181 -4.642 1.00 0.00 C ATOM 379 O SER A 42 12.701 -23.672 -5.757 1.00 0.00 O ATOM 380 CB SER A 42 10.378 -23.985 -3.645 1.00 0.00 C ATOM 381 OG SER A 42 9.838 -24.775 -4.701 1.00 0.00 O ATOM 0 H SER A 42 9.661 -22.684 -5.652 1.00 0.00 H new ATOM 0 HA SER A 42 11.236 -22.052 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.046 -24.597 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.571 -23.652 -2.992 1.00 0.00 H new ATOM 0 HG SER A 42 9.360 -25.543 -4.324 1.00 0.00 H new ATOM 387 N GLY A 43 13.509 -22.966 -3.767 1.00 0.00 N ATOM 388 CA GLY A 43 14.886 -23.309 -4.079 1.00 0.00 C ATOM 389 C GLY A 43 15.731 -22.051 -4.289 1.00 0.00 C ATOM 390 O GLY A 43 16.947 -22.077 -4.106 1.00 0.00 O ATOM 0 H GLY A 43 13.370 -22.559 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.309 -23.904 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.916 -23.926 -4.977 1.00 0.00 H new ATOM 394 N ASP A 44 15.053 -20.979 -4.671 1.00 0.00 N ATOM 395 CA ASP A 44 15.725 -19.713 -4.908 1.00 0.00 C ATOM 396 C ASP A 44 14.826 -18.567 -4.442 1.00 0.00 C ATOM 397 O ASP A 44 14.097 -17.980 -5.240 1.00 0.00 O ATOM 398 CB ASP A 44 16.012 -19.512 -6.398 1.00 0.00 C ATOM 399 CG ASP A 44 16.638 -20.717 -7.104 1.00 0.00 C ATOM 400 OD1 ASP A 44 17.839 -20.989 -6.959 1.00 0.00 O ATOM 401 OD2 ASP A 44 15.827 -21.399 -7.839 1.00 0.00 O ATOM 0 H ASP A 44 14.044 -20.961 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 44 16.665 -19.723 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.079 -19.259 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.678 -18.657 -6.512 1.00 0.00 H new ATOM 407 N ILE A 45 14.906 -18.282 -3.150 1.00 0.00 N ATOM 408 CA ILE A 45 14.108 -17.217 -2.567 1.00 0.00 C ATOM 409 C ILE A 45 14.631 -15.866 -3.059 1.00 0.00 C ATOM 410 O ILE A 45 13.860 -14.925 -3.238 1.00 0.00 O ATOM 411 CB ILE A 45 14.074 -17.346 -1.043 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.962 -18.298 -0.598 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.952 -15.972 -0.380 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.609 -17.585 -0.567 1.00 0.00 C ATOM 0 H ILE A 45 15.512 -18.771 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 45 13.071 -17.295 -2.893 1.00 0.00 H new ATOM 0 HB ILE A 45 15.019 -17.780 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.913 -19.149 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.191 -18.693 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.930 -16.091 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.806 -15.356 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.033 -15.489 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.836 -18.284 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.654 -16.750 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.371 -17.212 -1.563 1.00 0.00 H new ATOM 426 N SER A 46 15.940 -15.814 -3.263 1.00 0.00 N ATOM 427 CA SER A 46 16.575 -14.594 -3.731 1.00 0.00 C ATOM 428 C SER A 46 16.180 -14.321 -5.184 1.00 0.00 C ATOM 429 O SER A 46 16.189 -13.174 -5.628 1.00 0.00 O ATOM 430 CB SER A 46 18.097 -14.682 -3.603 1.00 0.00 C ATOM 431 OG SER A 46 18.522 -14.635 -2.243 1.00 0.00 O ATOM 0 H SER A 46 16.577 -16.596 -3.113 1.00 0.00 H new ATOM 0 HA SER A 46 16.231 -13.769 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.446 -15.608 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.555 -13.861 -4.155 1.00 0.00 H new ATOM 0 HG SER A 46 19.499 -14.696 -2.203 1.00 0.00 H new ATOM 437 N GLU A 47 15.843 -15.395 -5.883 1.00 0.00 N ATOM 438 CA GLU A 47 15.445 -15.286 -7.276 1.00 0.00 C ATOM 439 C GLU A 47 14.235 -14.359 -7.412 1.00 0.00 C ATOM 440 O GLU A 47 14.037 -13.741 -8.457 1.00 0.00 O ATOM 441 CB GLU A 47 15.149 -16.664 -7.872 1.00 0.00 C ATOM 442 CG GLU A 47 14.697 -16.546 -9.328 1.00 0.00 C ATOM 443 CD GLU A 47 15.893 -16.337 -10.259 1.00 0.00 C ATOM 444 OE1 GLU A 47 16.959 -15.892 -9.808 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.686 -16.655 -11.492 1.00 0.00 O ATOM 0 H GLU A 47 15.837 -16.345 -5.511 1.00 0.00 H new ATOM 0 HA GLU A 47 16.274 -14.854 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.041 -17.288 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.374 -17.159 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.158 -17.448 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.002 -15.712 -9.430 1.00 0.00 H new ATOM 453 N ALA A 48 13.459 -14.291 -6.341 1.00 0.00 N ATOM 454 CA ALA A 48 12.274 -13.450 -6.327 1.00 0.00 C ATOM 455 C ALA A 48 12.694 -11.982 -6.428 1.00 0.00 C ATOM 456 O ALA A 48 12.160 -11.235 -7.246 1.00 0.00 O ATOM 457 CB ALA A 48 11.458 -13.738 -5.065 1.00 0.00 C ATOM 0 H ALA A 48 13.627 -14.805 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 48 11.637 -13.670 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.569 -13.107 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.159 -14.786 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.064 -13.526 -4.184 1.00 0.00 H new ATOM 463 N GLU A 49 13.648 -11.614 -5.585 1.00 0.00 N ATOM 464 CA GLU A 49 14.146 -10.249 -5.569 1.00 0.00 C ATOM 465 C GLU A 49 14.840 -9.922 -6.892 1.00 0.00 C ATOM 466 O GLU A 49 14.805 -8.780 -7.350 1.00 0.00 O ATOM 467 CB GLU A 49 15.089 -10.024 -4.385 1.00 0.00 C ATOM 468 CG GLU A 49 16.551 -10.061 -4.834 1.00 0.00 C ATOM 469 CD GLU A 49 17.495 -10.051 -3.630 1.00 0.00 C ATOM 470 OE1 GLU A 49 17.147 -10.582 -2.565 1.00 0.00 O ATOM 471 OE2 GLU A 49 18.627 -9.466 -3.830 1.00 0.00 O ATOM 0 H GLU A 49 14.089 -12.237 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 49 13.298 -9.575 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.872 -9.062 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.918 -10.790 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.729 -10.954 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.761 -9.203 -5.472 1.00 0.00 H new ATOM 479 N GLU A 50 15.454 -10.943 -7.471 1.00 0.00 N ATOM 480 CA GLU A 50 16.154 -10.779 -8.733 1.00 0.00 C ATOM 481 C GLU A 50 15.157 -10.514 -9.863 1.00 0.00 C ATOM 482 O GLU A 50 15.243 -9.494 -10.545 1.00 0.00 O ATOM 483 CB GLU A 50 17.022 -12.000 -9.042 1.00 0.00 C ATOM 484 CG GLU A 50 18.100 -11.660 -10.074 1.00 0.00 C ATOM 485 CD GLU A 50 18.569 -12.916 -10.811 1.00 0.00 C ATOM 486 OE1 GLU A 50 19.781 -13.152 -10.926 1.00 0.00 O ATOM 487 OE2 GLU A 50 17.623 -13.662 -11.273 1.00 0.00 O ATOM 0 H GLU A 50 15.481 -11.888 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 50 16.815 -9.917 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.491 -12.358 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.396 -12.810 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.708 -10.939 -10.791 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.948 -11.187 -9.578 1.00 0.00 H new ATOM 495 N LEU A 51 14.235 -11.451 -10.026 1.00 0.00 N ATOM 496 CA LEU A 51 13.223 -11.332 -11.062 1.00 0.00 C ATOM 497 C LEU A 51 12.484 -10.003 -10.897 1.00 0.00 C ATOM 498 O LEU A 51 12.112 -9.368 -11.883 1.00 0.00 O ATOM 499 CB LEU A 51 12.301 -12.553 -11.053 1.00 0.00 C ATOM 500 CG LEU A 51 12.983 -13.910 -11.244 1.00 0.00 C ATOM 501 CD1 LEU A 51 12.086 -15.048 -10.752 1.00 0.00 C ATOM 502 CD2 LEU A 51 13.413 -14.107 -12.698 1.00 0.00 C ATOM 0 H LEU A 51 14.167 -12.296 -9.458 1.00 0.00 H new ATOM 0 HA LEU A 51 13.687 -11.319 -12.048 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.762 -12.570 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.558 -12.428 -11.840 1.00 0.00 H new ATOM 0 HG LEU A 51 13.887 -13.927 -10.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.594 -16.001 -10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.872 -14.910 -9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.152 -15.044 -11.314 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.895 -15.079 -12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.537 -14.062 -13.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.114 -13.321 -12.980 1.00 0.00 H new ATOM 514 N ALA A 52 12.293 -9.621 -9.642 1.00 0.00 N ATOM 515 CA ALA A 52 11.605 -8.378 -9.335 1.00 0.00 C ATOM 516 C ALA A 52 12.513 -7.197 -9.686 1.00 0.00 C ATOM 517 O ALA A 52 12.045 -6.179 -10.194 1.00 0.00 O ATOM 518 CB ALA A 52 11.188 -8.376 -7.863 1.00 0.00 C ATOM 0 H ALA A 52 12.603 -10.150 -8.827 1.00 0.00 H new ATOM 0 HA ALA A 52 10.697 -8.284 -9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.672 -7.444 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.521 -9.217 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.074 -8.466 -7.234 1.00 0.00 H new ATOM 524 N ARG A 53 13.795 -7.373 -9.402 1.00 0.00 N ATOM 525 CA ARG A 53 14.772 -6.335 -9.681 1.00 0.00 C ATOM 526 C ARG A 53 14.737 -5.957 -11.163 1.00 0.00 C ATOM 527 O ARG A 53 14.689 -4.776 -11.505 1.00 0.00 O ATOM 528 CB ARG A 53 16.184 -6.795 -9.312 1.00 0.00 C ATOM 529 CG ARG A 53 17.109 -5.597 -9.084 1.00 0.00 C ATOM 530 CD ARG A 53 18.517 -6.057 -8.703 1.00 0.00 C ATOM 531 NE ARG A 53 19.013 -7.042 -9.690 1.00 0.00 N ATOM 532 CZ ARG A 53 20.018 -7.897 -9.459 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.642 -7.893 -8.273 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.400 -8.756 -10.414 1.00 0.00 N ATOM 0 H ARG A 53 14.180 -8.219 -8.982 1.00 0.00 H new ATOM 0 HA ARG A 53 14.515 -5.466 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.147 -7.407 -8.411 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.585 -7.423 -10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.153 -4.990 -9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.703 -4.964 -8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.190 -5.200 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.506 -6.501 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 53 18.561 -7.072 -10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.352 -7.239 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.407 -8.544 -8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.926 -8.759 -11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.165 -9.407 -10.238 1.00 0.00 H new ATOM 548 N GLU A 54 14.761 -6.981 -12.003 1.00 0.00 N ATOM 549 CA GLU A 54 14.732 -6.771 -13.440 1.00 0.00 C ATOM 550 C GLU A 54 13.310 -6.439 -13.900 1.00 0.00 C ATOM 551 O GLU A 54 13.108 -5.516 -14.687 1.00 0.00 O ATOM 552 CB GLU A 54 15.277 -7.992 -14.184 1.00 0.00 C ATOM 553 CG GLU A 54 15.722 -7.618 -15.599 1.00 0.00 C ATOM 554 CD GLU A 54 16.960 -6.719 -15.565 1.00 0.00 C ATOM 555 OE1 GLU A 54 17.781 -6.829 -14.643 1.00 0.00 O ATOM 556 OE2 GLU A 54 17.053 -5.883 -16.543 1.00 0.00 O ATOM 0 H GLU A 54 14.800 -7.959 -11.716 1.00 0.00 H new ATOM 0 HA GLU A 54 15.377 -5.924 -13.676 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.119 -8.412 -13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.510 -8.765 -14.232 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.941 -8.523 -16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.910 -7.106 -16.116 1.00 0.00 H new ATOM 564 N LYS A 55 12.362 -7.210 -13.388 1.00 0.00 N ATOM 565 CA LYS A 55 10.966 -7.010 -13.736 1.00 0.00 C ATOM 566 C LYS A 55 10.608 -5.532 -13.562 1.00 0.00 C ATOM 567 O LYS A 55 10.102 -4.900 -14.487 1.00 0.00 O ATOM 568 CB LYS A 55 10.072 -7.957 -12.932 1.00 0.00 C ATOM 569 CG LYS A 55 10.108 -9.371 -13.515 1.00 0.00 C ATOM 570 CD LYS A 55 9.160 -9.496 -14.710 1.00 0.00 C ATOM 571 CE LYS A 55 9.393 -10.809 -15.459 1.00 0.00 C ATOM 572 NZ LYS A 55 8.256 -11.099 -16.362 1.00 0.00 N ATOM 0 H LYS A 55 12.533 -7.974 -12.735 1.00 0.00 H new ATOM 0 HA LYS A 55 10.795 -7.259 -14.783 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.401 -7.980 -11.893 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.047 -7.585 -12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.124 -9.614 -13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.828 -10.092 -12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.127 -9.448 -14.366 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.310 -8.655 -15.387 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.316 -10.747 -16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.516 -11.624 -14.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.460 -11.957 -16.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.394 -11.246 -15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.114 -10.298 -17.010 1.00 0.00 H new ATOM 586 N PHE A 56 10.886 -5.025 -12.370 1.00 0.00 N ATOM 587 CA PHE A 56 10.601 -3.634 -12.063 1.00 0.00 C ATOM 588 C PHE A 56 11.574 -2.702 -12.788 1.00 0.00 C ATOM 589 O PHE A 56 11.193 -1.615 -13.221 1.00 0.00 O ATOM 590 CB PHE A 56 10.778 -3.463 -10.553 1.00 0.00 C ATOM 591 CG PHE A 56 12.086 -2.777 -10.154 1.00 0.00 C ATOM 592 CD1 PHE A 56 12.333 -1.500 -10.550 1.00 0.00 C ATOM 593 CD2 PHE A 56 13.002 -3.445 -9.403 1.00 0.00 C ATOM 594 CE1 PHE A 56 13.547 -0.863 -10.179 1.00 0.00 C ATOM 595 CE2 PHE A 56 14.216 -2.809 -9.032 1.00 0.00 C ATOM 596 CZ PHE A 56 14.463 -1.531 -9.428 1.00 0.00 C ATOM 0 H PHE A 56 11.306 -5.553 -11.605 1.00 0.00 H new ATOM 0 HA PHE A 56 9.591 -3.382 -12.385 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.942 -2.883 -10.163 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.735 -4.444 -10.079 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.606 -0.970 -11.147 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.806 -4.459 -9.089 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.743 0.152 -10.493 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.943 -3.340 -8.435 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.386 -1.047 -9.146 1.00 0.00 H new ATOM 606 N GLU A 57 12.812 -3.160 -12.897 1.00 0.00 N ATOM 607 CA GLU A 57 13.843 -2.381 -13.561 1.00 0.00 C ATOM 608 C GLU A 57 13.595 -2.351 -15.071 1.00 0.00 C ATOM 609 O GLU A 57 14.207 -1.561 -15.788 1.00 0.00 O ATOM 610 CB GLU A 57 15.235 -2.931 -13.245 1.00 0.00 C ATOM 611 CG GLU A 57 16.309 -2.205 -14.058 1.00 0.00 C ATOM 612 CD GLU A 57 16.029 -0.702 -14.118 1.00 0.00 C ATOM 613 OE1 GLU A 57 15.721 -0.087 -13.086 1.00 0.00 O ATOM 614 OE2 GLU A 57 16.142 -0.172 -15.288 1.00 0.00 O ATOM 0 H GLU A 57 13.125 -4.061 -12.536 1.00 0.00 H new ATOM 0 HA GLU A 57 13.798 -1.359 -13.184 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.441 -2.818 -12.181 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.267 -3.998 -13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.288 -2.379 -13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.343 -2.613 -15.068 1.00 0.00 H new ATOM 622 N LYS A 58 12.697 -3.221 -15.509 1.00 0.00 N ATOM 623 CA LYS A 58 12.361 -3.304 -16.920 1.00 0.00 C ATOM 624 C LYS A 58 11.044 -2.568 -17.170 1.00 0.00 C ATOM 625 O LYS A 58 10.708 -2.260 -18.313 1.00 0.00 O ATOM 626 CB LYS A 58 12.349 -4.762 -17.383 1.00 0.00 C ATOM 627 CG LYS A 58 12.588 -4.861 -18.891 1.00 0.00 C ATOM 628 CD LYS A 58 11.369 -4.367 -19.673 1.00 0.00 C ATOM 629 CE LYS A 58 11.077 -5.279 -20.866 1.00 0.00 C ATOM 630 NZ LYS A 58 9.700 -5.058 -21.362 1.00 0.00 N ATOM 0 H LYS A 58 12.192 -3.875 -14.911 1.00 0.00 H new ATOM 0 HA LYS A 58 13.122 -2.809 -17.523 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.118 -5.322 -16.852 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.392 -5.219 -17.132 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.463 -4.271 -19.164 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.804 -5.895 -19.162 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.500 -4.333 -19.016 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.545 -3.350 -20.023 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.793 -5.084 -21.664 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.202 -6.322 -20.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.518 -5.685 -22.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.020 -5.266 -20.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.593 -4.067 -21.660 1.00 0.00 H new ATOM 754 N VAL A 67 16.795 0.371 -5.459 1.00 0.00 N ATOM 755 CA VAL A 67 16.619 -0.893 -6.153 1.00 0.00 C ATOM 756 C VAL A 67 16.810 -2.044 -5.163 1.00 0.00 C ATOM 757 O VAL A 67 15.998 -2.967 -5.114 1.00 0.00 O ATOM 758 CB VAL A 67 17.570 -0.970 -7.349 1.00 0.00 C ATOM 759 CG1 VAL A 67 17.904 0.427 -7.875 1.00 0.00 C ATOM 760 CG2 VAL A 67 18.843 -1.739 -6.990 1.00 0.00 C ATOM 0 HA VAL A 67 15.608 -0.972 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 67 17.063 -1.515 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 67 18.581 0.343 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 67 16.987 0.926 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 67 18.381 1.008 -7.086 1.00 0.00 H new ATOM 0 HG21 VAL A 67 19.501 -1.779 -7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 67 19.354 -1.234 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 67 18.582 -2.753 -6.686 1.00 0.00 H new ATOM 770 N GLU A 68 17.888 -1.952 -4.398 1.00 0.00 N ATOM 771 CA GLU A 68 18.196 -2.973 -3.412 1.00 0.00 C ATOM 772 C GLU A 68 17.049 -3.104 -2.407 1.00 0.00 C ATOM 773 O GLU A 68 16.750 -4.202 -1.940 1.00 0.00 O ATOM 774 CB GLU A 68 19.516 -2.669 -2.701 1.00 0.00 C ATOM 775 CG GLU A 68 19.446 -3.060 -1.223 1.00 0.00 C ATOM 776 CD GLU A 68 20.810 -2.902 -0.549 1.00 0.00 C ATOM 777 OE1 GLU A 68 21.513 -3.899 -0.331 1.00 0.00 O ATOM 778 OE2 GLU A 68 21.132 -1.689 -0.249 1.00 0.00 O ATOM 0 H GLU A 68 18.559 -1.185 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 68 18.311 -3.926 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.328 -3.211 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.745 -1.607 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.710 -2.438 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.109 -4.092 -1.132 1.00 0.00 H new ATOM 786 N GLU A 69 16.438 -1.968 -2.104 1.00 0.00 N ATOM 787 CA GLU A 69 15.331 -1.942 -1.163 1.00 0.00 C ATOM 788 C GLU A 69 14.091 -2.586 -1.785 1.00 0.00 C ATOM 789 O GLU A 69 13.380 -3.340 -1.123 1.00 0.00 O ATOM 790 CB GLU A 69 15.035 -0.512 -0.705 1.00 0.00 C ATOM 791 CG GLU A 69 13.990 -0.500 0.412 1.00 0.00 C ATOM 792 CD GLU A 69 13.473 0.918 0.664 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.953 1.598 1.584 1.00 0.00 O ATOM 794 OE2 GLU A 69 12.541 1.309 -0.136 1.00 0.00 O ATOM 0 H GLU A 69 16.688 -1.059 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 69 15.614 -2.520 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.953 -0.041 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.677 0.077 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.158 -1.152 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.426 -0.900 1.327 1.00 0.00 H new ATOM 802 N LEU A 70 13.868 -2.265 -3.052 1.00 0.00 N ATOM 803 CA LEU A 70 12.726 -2.803 -3.770 1.00 0.00 C ATOM 804 C LEU A 70 12.824 -4.330 -3.805 1.00 0.00 C ATOM 805 O LEU A 70 11.885 -5.024 -3.418 1.00 0.00 O ATOM 806 CB LEU A 70 12.614 -2.163 -5.155 1.00 0.00 C ATOM 807 CG LEU A 70 11.276 -2.349 -5.874 1.00 0.00 C ATOM 808 CD1 LEU A 70 11.283 -3.622 -6.724 1.00 0.00 C ATOM 809 CD2 LEU A 70 10.113 -2.328 -4.882 1.00 0.00 C ATOM 0 H LEU A 70 14.459 -1.639 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 70 11.799 -2.554 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.805 -1.094 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.403 -2.571 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 70 11.133 -1.509 -6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.321 -3.731 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.075 -3.557 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.459 -4.486 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.174 -2.462 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.236 -3.135 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.098 -1.372 -4.359 1.00 0.00 H new ATOM 821 N VAL A 71 13.968 -4.807 -4.273 1.00 0.00 N ATOM 822 CA VAL A 71 14.200 -6.239 -4.363 1.00 0.00 C ATOM 823 C VAL A 71 13.974 -6.875 -2.990 1.00 0.00 C ATOM 824 O VAL A 71 13.309 -7.904 -2.881 1.00 0.00 O ATOM 825 CB VAL A 71 15.598 -6.508 -4.924 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.712 -6.018 -6.369 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.674 -5.871 -4.042 1.00 0.00 C ATOM 0 H VAL A 71 14.744 -4.228 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 71 13.493 -6.698 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 71 15.759 -7.586 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.715 -6.221 -6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.981 -6.538 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.521 -4.945 -6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.658 -6.077 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.517 -4.793 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.615 -6.288 -3.037 1.00 0.00 H new ATOM 837 N LYS A 72 14.541 -6.237 -1.977 1.00 0.00 N ATOM 838 CA LYS A 72 14.409 -6.728 -0.615 1.00 0.00 C ATOM 839 C LYS A 72 12.929 -6.763 -0.231 1.00 0.00 C ATOM 840 O LYS A 72 12.488 -7.670 0.474 1.00 0.00 O ATOM 841 CB LYS A 72 15.273 -5.899 0.338 1.00 0.00 C ATOM 842 CG LYS A 72 14.403 -5.032 1.252 1.00 0.00 C ATOM 843 CD LYS A 72 15.235 -3.936 1.921 1.00 0.00 C ATOM 844 CE LYS A 72 15.694 -4.369 3.314 1.00 0.00 C ATOM 845 NZ LYS A 72 16.988 -3.735 3.653 1.00 0.00 N ATOM 0 H LYS A 72 15.093 -5.384 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 72 14.782 -7.750 -0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.894 -6.561 0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.948 -5.265 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.598 -4.580 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.936 -5.656 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.103 -3.706 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.646 -3.022 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.942 -4.093 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.793 -5.454 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.286 -4.039 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.707 -4.019 2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.882 -2.701 3.639 1.00 0.00 H new ATOM 859 N LYS A 73 12.202 -5.765 -0.711 1.00 0.00 N ATOM 860 CA LYS A 73 10.780 -5.671 -0.427 1.00 0.00 C ATOM 861 C LYS A 73 10.048 -6.824 -1.118 1.00 0.00 C ATOM 862 O LYS A 73 9.026 -7.298 -0.626 1.00 0.00 O ATOM 863 CB LYS A 73 10.247 -4.288 -0.809 1.00 0.00 C ATOM 864 CG LYS A 73 9.153 -3.836 0.159 1.00 0.00 C ATOM 865 CD LYS A 73 8.159 -4.967 0.431 1.00 0.00 C ATOM 866 CE LYS A 73 6.947 -4.455 1.213 1.00 0.00 C ATOM 867 NZ LYS A 73 6.328 -5.555 1.986 1.00 0.00 N ATOM 0 H LYS A 73 12.571 -5.014 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 73 10.598 -5.773 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.063 -3.566 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.851 -4.315 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.604 -3.510 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.627 -2.977 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.830 -5.402 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.651 -5.761 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.253 -3.656 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.216 -4.029 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.300 -5.552 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.723 -6.465 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.526 -5.422 2.998 1.00 0.00 H new ATOM 881 N VAL A 74 10.602 -7.242 -2.247 1.00 0.00 N ATOM 882 CA VAL A 74 10.015 -8.330 -3.009 1.00 0.00 C ATOM 883 C VAL A 74 10.198 -9.642 -2.243 1.00 0.00 C ATOM 884 O VAL A 74 9.224 -10.324 -1.932 1.00 0.00 O ATOM 885 CB VAL A 74 10.619 -8.370 -4.415 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.330 -9.708 -5.098 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.113 -7.201 -5.262 1.00 0.00 C ATOM 0 H VAL A 74 11.451 -6.847 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 74 8.944 -8.173 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 74 11.700 -8.270 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.770 -9.710 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.761 -10.518 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.252 -9.851 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.557 -7.253 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.028 -7.256 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.393 -6.260 -4.788 1.00 0.00 H new ATOM 897 N VAL A 75 11.454 -9.954 -1.960 1.00 0.00 N ATOM 898 CA VAL A 75 11.778 -11.171 -1.236 1.00 0.00 C ATOM 899 C VAL A 75 11.063 -11.160 0.117 1.00 0.00 C ATOM 900 O VAL A 75 10.646 -12.206 0.611 1.00 0.00 O ATOM 901 CB VAL A 75 13.296 -11.317 -1.109 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.793 -10.738 0.217 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.721 -12.779 -1.264 1.00 0.00 C ATOM 0 H VAL A 75 12.260 -9.385 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 75 11.426 -12.046 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 75 13.757 -10.748 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.875 -10.854 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.538 -9.680 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.321 -11.267 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.804 -12.855 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.246 -13.380 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.416 -13.145 -2.244 1.00 0.00 H new ATOM 913 N ALA A 76 10.944 -9.966 0.677 1.00 0.00 N ATOM 914 CA ALA A 76 10.287 -9.804 1.963 1.00 0.00 C ATOM 915 C ALA A 76 8.823 -10.232 1.840 1.00 0.00 C ATOM 916 O ALA A 76 8.352 -11.071 2.606 1.00 0.00 O ATOM 917 CB ALA A 76 10.434 -8.356 2.433 1.00 0.00 C ATOM 0 H ALA A 76 11.292 -9.101 0.264 1.00 0.00 H new ATOM 0 HA ALA A 76 10.754 -10.439 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.941 -8.235 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.492 -8.111 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.974 -7.688 1.704 1.00 0.00 H new ATOM 923 N VAL A 77 8.145 -9.635 0.871 1.00 0.00 N ATOM 924 CA VAL A 77 6.744 -9.944 0.638 1.00 0.00 C ATOM 925 C VAL A 77 6.595 -11.441 0.364 1.00 0.00 C ATOM 926 O VAL A 77 5.713 -12.093 0.921 1.00 0.00 O ATOM 927 CB VAL A 77 6.198 -9.071 -0.494 1.00 0.00 C ATOM 928 CG1 VAL A 77 5.926 -9.906 -1.747 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.940 -8.323 -0.051 1.00 0.00 C ATOM 0 H VAL A 77 8.539 -8.939 0.238 1.00 0.00 H new ATOM 0 HA VAL A 77 6.150 -9.716 1.523 1.00 0.00 H new ATOM 0 HB VAL A 77 6.958 -8.330 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.539 -9.262 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.853 -10.373 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.193 -10.679 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.572 -7.710 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.172 -9.041 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.177 -7.684 0.800 1.00 0.00 H new ATOM 939 N CYS A 78 7.472 -11.944 -0.493 1.00 0.00 N ATOM 940 CA CYS A 78 7.448 -13.353 -0.848 1.00 0.00 C ATOM 941 C CYS A 78 7.468 -14.173 0.443 1.00 0.00 C ATOM 942 O CYS A 78 6.646 -15.070 0.626 1.00 0.00 O ATOM 943 CB CYS A 78 8.607 -13.722 -1.776 1.00 0.00 C ATOM 944 SG CYS A 78 8.505 -12.748 -3.322 1.00 0.00 S ATOM 0 H CYS A 78 8.203 -11.401 -0.952 1.00 0.00 H new ATOM 0 HA CYS A 78 6.538 -13.575 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.558 -13.531 -1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.576 -14.787 -2.005 1.00 0.00 H new ATOM 0 HG CYS A 78 8.744 -11.497 -3.063 1.00 0.00 H new ATOM 950 N GLU A 79 8.416 -13.837 1.306 1.00 0.00 N ATOM 951 CA GLU A 79 8.553 -14.531 2.575 1.00 0.00 C ATOM 952 C GLU A 79 7.337 -14.261 3.463 1.00 0.00 C ATOM 953 O GLU A 79 6.969 -15.094 4.289 1.00 0.00 O ATOM 954 CB GLU A 79 9.849 -14.129 3.283 1.00 0.00 C ATOM 955 CG GLU A 79 11.009 -15.030 2.856 1.00 0.00 C ATOM 956 CD GLU A 79 10.874 -16.426 3.469 1.00 0.00 C ATOM 957 OE1 GLU A 79 10.100 -17.252 2.964 1.00 0.00 O ATOM 958 OE2 GLU A 79 11.609 -16.639 4.507 1.00 0.00 O ATOM 0 H GLU A 79 9.097 -13.093 1.151 1.00 0.00 H new ATOM 0 HA GLU A 79 8.603 -15.602 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.087 -13.090 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.713 -14.193 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.033 -15.107 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.954 -14.583 3.165 1.00 0.00 H new ATOM 966 N GLU A 80 6.746 -13.092 3.262 1.00 0.00 N ATOM 967 CA GLU A 80 5.579 -12.701 4.035 1.00 0.00 C ATOM 968 C GLU A 80 4.351 -13.488 3.575 1.00 0.00 C ATOM 969 O GLU A 80 3.375 -13.609 4.314 1.00 0.00 O ATOM 970 CB GLU A 80 5.334 -11.194 3.933 1.00 0.00 C ATOM 971 CG GLU A 80 6.440 -10.409 4.642 1.00 0.00 C ATOM 972 CD GLU A 80 6.075 -10.148 6.104 1.00 0.00 C ATOM 973 OE1 GLU A 80 6.495 -10.905 6.993 1.00 0.00 O ATOM 974 OE2 GLU A 80 5.329 -9.115 6.304 1.00 0.00 O ATOM 0 H GLU A 80 7.053 -12.403 2.575 1.00 0.00 H new ATOM 0 HA GLU A 80 5.766 -12.935 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.289 -10.899 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.368 -10.948 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.376 -10.965 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.604 -9.461 4.129 1.00 0.00 H new ATOM 982 N LEU A 81 4.439 -14.004 2.358 1.00 0.00 N ATOM 983 CA LEU A 81 3.347 -14.777 1.791 1.00 0.00 C ATOM 984 C LEU A 81 3.461 -16.230 2.257 1.00 0.00 C ATOM 985 O LEU A 81 2.493 -16.986 2.184 1.00 0.00 O ATOM 986 CB LEU A 81 3.312 -14.619 0.270 1.00 0.00 C ATOM 987 CG LEU A 81 1.977 -14.171 -0.328 1.00 0.00 C ATOM 988 CD1 LEU A 81 0.978 -15.329 -0.368 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.419 -12.960 0.422 1.00 0.00 C ATOM 0 H LEU A 81 5.250 -13.902 1.748 1.00 0.00 H new ATOM 0 HA LEU A 81 2.388 -14.402 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.077 -13.898 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.587 -15.572 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 81 2.152 -13.860 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.038 -14.984 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.381 -16.136 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.803 -15.693 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.470 -12.662 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.263 -13.221 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.126 -12.133 0.356 1.00 0.00 H new ATOM 1001 N GLY A 82 4.651 -16.576 2.725 1.00 0.00 N ATOM 1002 CA GLY A 82 4.904 -17.925 3.202 1.00 0.00 C ATOM 1003 C GLY A 82 4.091 -18.949 2.407 1.00 0.00 C ATOM 1004 O GLY A 82 3.301 -19.699 2.979 1.00 0.00 O ATOM 0 H GLY A 82 5.451 -15.946 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.967 -18.152 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.649 -17.995 4.259 1.00 0.00 H new ATOM 1008 N ALA A 83 4.312 -18.948 1.101 1.00 0.00 N ATOM 1009 CA ALA A 83 3.610 -19.867 0.222 1.00 0.00 C ATOM 1010 C ALA A 83 4.621 -20.573 -0.683 1.00 0.00 C ATOM 1011 O ALA A 83 5.522 -19.937 -1.229 1.00 0.00 O ATOM 1012 CB ALA A 83 2.549 -19.104 -0.573 1.00 0.00 C ATOM 0 H ALA A 83 4.968 -18.325 0.630 1.00 0.00 H new ATOM 0 HA ALA A 83 3.095 -20.633 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.022 -19.794 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.838 -18.646 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.029 -18.328 -1.169 1.00 0.00 H new ATOM 1018 N GLU A 84 4.439 -21.879 -0.815 1.00 0.00 N ATOM 1019 CA GLU A 84 5.325 -22.678 -1.645 1.00 0.00 C ATOM 1020 C GLU A 84 4.525 -23.735 -2.410 1.00 0.00 C ATOM 1021 O GLU A 84 5.083 -24.734 -2.861 1.00 0.00 O ATOM 1022 CB GLU A 84 6.427 -23.327 -0.805 1.00 0.00 C ATOM 1023 CG GLU A 84 6.867 -22.401 0.331 1.00 0.00 C ATOM 1024 CD GLU A 84 8.256 -22.785 0.845 1.00 0.00 C ATOM 1025 OE1 GLU A 84 8.403 -23.154 2.019 1.00 0.00 O ATOM 1026 OE2 GLU A 84 9.204 -22.691 -0.025 1.00 0.00 O ATOM 0 H GLU A 84 3.691 -22.404 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 84 5.806 -22.019 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.067 -24.269 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.282 -23.562 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.878 -21.369 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.146 -22.453 1.147 1.00 0.00 H new ATOM 1034 N GLU A 85 3.231 -23.478 -2.533 1.00 0.00 N ATOM 1035 CA GLU A 85 2.349 -24.394 -3.235 1.00 0.00 C ATOM 1036 C GLU A 85 0.888 -24.086 -2.901 1.00 0.00 C ATOM 1037 O GLU A 85 0.601 -23.442 -1.894 1.00 0.00 O ATOM 1038 CB GLU A 85 2.693 -25.848 -2.905 1.00 0.00 C ATOM 1039 CG GLU A 85 2.923 -26.029 -1.403 1.00 0.00 C ATOM 1040 CD GLU A 85 1.817 -25.349 -0.593 1.00 0.00 C ATOM 1041 OE1 GLU A 85 2.094 -24.414 0.173 1.00 0.00 O ATOM 1042 OE2 GLU A 85 0.633 -25.825 -0.782 1.00 0.00 O ATOM 0 H GLU A 85 2.772 -22.648 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 85 2.493 -24.256 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.884 -26.501 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.587 -26.147 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.954 -27.091 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.891 -25.611 -1.127 1.00 0.00 H new ATOM 1050 N CYS A 86 0.004 -24.561 -3.766 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.420 -24.345 -3.575 1.00 0.00 C ATOM 1052 C CYS A 86 -2.038 -25.645 -3.055 1.00 0.00 C ATOM 1053 O CYS A 86 -2.527 -26.460 -3.836 1.00 0.00 O ATOM 1054 CB CYS A 86 -2.097 -23.865 -4.860 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.909 -24.089 -4.735 1.00 0.00 S ATOM 0 H CYS A 86 0.246 -25.095 -4.601 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.575 -23.552 -2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.863 -22.815 -5.033 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.712 -24.422 -5.714 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.271 -25.110 -5.454 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.996 -25.798 -1.740 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.546 -26.985 -1.107 1.00 0.00 C ATOM 1062 C PHE A 87 -4.016 -27.178 -1.487 1.00 0.00 C ATOM 1063 O PHE A 87 -4.513 -28.303 -1.505 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.447 -26.772 0.405 1.00 0.00 C ATOM 1065 CG PHE A 87 -3.315 -27.728 1.226 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -2.842 -28.958 1.561 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -4.559 -27.346 1.621 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -3.648 -29.845 2.323 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -5.365 -28.233 2.384 1.00 0.00 C ATOM 1070 CZ PHE A 87 -4.892 -29.464 2.718 1.00 0.00 C ATOM 0 H PHE A 87 -1.590 -25.120 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.995 -27.868 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.407 -26.888 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.735 -25.747 0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.854 -29.260 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.934 -26.369 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.273 -30.822 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.353 -27.930 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.505 -30.139 3.297 1.00 0.00 H new ATOM 1080 N SER A 88 -4.669 -26.064 -1.782 1.00 0.00 N ATOM 1081 CA SER A 88 -6.071 -26.096 -2.161 1.00 0.00 C ATOM 1082 C SER A 88 -6.259 -26.976 -3.398 1.00 0.00 C ATOM 1083 O SER A 88 -7.377 -27.383 -3.711 1.00 0.00 O ATOM 1084 CB SER A 88 -6.603 -24.687 -2.426 1.00 0.00 C ATOM 1085 OG SER A 88 -6.568 -23.874 -1.257 1.00 0.00 O ATOM 0 H SER A 88 -4.253 -25.133 -1.766 1.00 0.00 H new ATOM 0 HA SER A 88 -6.639 -26.519 -1.332 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.011 -24.218 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.627 -24.750 -2.793 1.00 0.00 H new ATOM 0 HG SER A 88 -6.914 -22.982 -1.468 1.00 0.00 H new ATOM 1091 N CYS A 89 -5.148 -27.245 -4.068 1.00 0.00 N ATOM 1092 CA CYS A 89 -5.176 -28.069 -5.264 1.00 0.00 C ATOM 1093 C CYS A 89 -5.855 -29.395 -4.918 1.00 0.00 C ATOM 1094 O CYS A 89 -6.296 -30.122 -5.807 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.774 -28.279 -5.839 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.438 -27.035 -7.139 1.00 0.00 S ATOM 0 H CYS A 89 -4.222 -26.907 -3.805 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.745 -27.563 -6.044 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -3.031 -28.198 -5.046 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.689 -29.283 -6.254 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.244 -27.221 -7.619 1.00 0.00 H new