USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 121:sc= 0.987 USER MOD Single : A 3 GLN : amide:sc=-0.00262 X(o=-0.0026,f=0) USER MOD Single : A 7 TYR OH : rot -80:sc= -3.66! USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= -1.99 (180deg=-6.38!) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -0.0255 (180deg=-0.251) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= -0.0422 (180deg=-0.272) USER MOD Single : A 25 TYR OH : rot 78:sc= -5.16! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -167:sc= 0.116 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0342 (180deg=-0.295) USER MOD Single : A 42 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 1.12 (180deg=-0.267) USER MOD Single : A 51 TYR OH : rot 113:sc= 1.01 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.614 5.216 8.246 1.00 8.06 N ATOM 2 CA GLY A 1 -14.137 6.612 8.439 1.00 7.57 C ATOM 3 C GLY A 1 -15.227 7.635 8.193 1.00 6.85 C ATOM 4 O GLY A 1 -16.363 7.462 8.638 1.00 7.15 O ATOM 0 H1 GLY A 1 -13.832 4.554 8.426 1.00 8.06 H new ATOM 0 H2 GLY A 1 -15.392 5.020 8.908 1.00 8.06 H new ATOM 0 H3 GLY A 1 -14.951 5.096 7.270 1.00 8.06 H new ATOM 0 HA2 GLY A 1 -13.758 6.726 9.455 1.00 7.57 H new ATOM 0 HA3 GLY A 1 -13.303 6.805 7.764 1.00 7.57 H new ATOM 10 N SER A 2 -14.888 8.702 7.478 1.00 6.18 N ATOM 11 CA SER A 2 -15.852 9.750 7.172 1.00 5.72 C ATOM 12 C SER A 2 -16.975 9.217 6.287 1.00 4.72 C ATOM 13 O SER A 2 -18.150 9.497 6.522 1.00 4.80 O ATOM 14 CB SER A 2 -15.162 10.932 6.487 1.00 6.23 C ATOM 15 OG SER A 2 -14.227 11.549 7.354 1.00 6.61 O ATOM 0 H SER A 2 -13.954 8.863 7.100 1.00 6.18 H new ATOM 0 HA SER A 2 -16.285 10.091 8.112 1.00 5.72 H new ATOM 0 HB2 SER A 2 -14.655 10.588 5.585 1.00 6.23 H new ATOM 0 HB3 SER A 2 -15.909 11.662 6.174 1.00 6.23 H new ATOM 0 HG SER A 2 -13.335 11.519 6.948 1.00 6.61 H new ATOM 21 N GLN A 3 -16.605 8.450 5.266 1.00 4.14 N ATOM 22 CA GLN A 3 -17.583 7.881 4.344 1.00 3.35 C ATOM 23 C GLN A 3 -18.340 8.989 3.616 1.00 2.59 C ATOM 24 O GLN A 3 -18.621 10.041 4.191 1.00 2.90 O ATOM 25 CB GLN A 3 -18.565 6.975 5.092 1.00 3.86 C ATOM 26 CG GLN A 3 -17.901 5.798 5.787 1.00 4.58 C ATOM 27 CD GLN A 3 -18.894 4.904 6.507 1.00 5.22 C ATOM 28 OE1 GLN A 3 -19.597 5.341 7.418 1.00 5.66 O ATOM 29 NE2 GLN A 3 -18.953 3.641 6.100 1.00 5.68 N ATOM 0 H GLN A 3 -15.637 8.208 5.056 1.00 4.14 H new ATOM 0 HA GLN A 3 -17.048 7.281 3.608 1.00 3.35 H new ATOM 0 HB2 GLN A 3 -19.101 7.568 5.833 1.00 3.86 H new ATOM 0 HB3 GLN A 3 -19.307 6.599 4.388 1.00 3.86 H new ATOM 0 HG2 GLN A 3 -17.355 5.208 5.051 1.00 4.58 H new ATOM 0 HG3 GLN A 3 -17.169 6.171 6.503 1.00 4.58 H new ATOM 0 HE21 GLN A 3 -18.352 3.321 5.341 1.00 5.68 H new ATOM 0 HE22 GLN A 3 -19.600 2.991 6.547 1.00 5.68 H new ATOM 38 N VAL A 4 -18.672 8.749 2.350 1.00 1.80 N ATOM 39 CA VAL A 4 -19.395 9.732 1.560 1.00 1.52 C ATOM 40 C VAL A 4 -20.154 9.097 0.395 1.00 1.35 C ATOM 41 O VAL A 4 -21.262 9.522 0.068 1.00 1.75 O ATOM 42 CB VAL A 4 -18.437 10.819 1.007 1.00 1.48 C ATOM 43 CG1 VAL A 4 -19.182 11.798 0.108 1.00 2.08 C ATOM 44 CG2 VAL A 4 -17.766 11.561 2.151 1.00 1.97 C ATOM 0 H VAL A 4 -18.451 7.885 1.854 1.00 1.80 H new ATOM 0 HA VAL A 4 -20.119 10.190 2.234 1.00 1.52 H new ATOM 0 HB VAL A 4 -17.671 10.324 0.409 1.00 1.48 H new ATOM 0 HG11 VAL A 4 -18.487 12.550 -0.266 1.00 2.08 H new ATOM 0 HG12 VAL A 4 -19.621 11.259 -0.732 1.00 2.08 H new ATOM 0 HG13 VAL A 4 -19.972 12.286 0.678 1.00 2.08 H new ATOM 0 HG21 VAL A 4 -17.096 12.321 1.749 1.00 1.97 H new ATOM 0 HG22 VAL A 4 -18.526 12.038 2.771 1.00 1.97 H new ATOM 0 HG23 VAL A 4 -17.194 10.857 2.756 1.00 1.97 H new ATOM 54 N PHE A 5 -19.550 8.105 -0.259 1.00 1.32 N ATOM 55 CA PHE A 5 -20.184 7.482 -1.392 1.00 1.88 C ATOM 56 C PHE A 5 -21.060 6.341 -0.904 1.00 1.68 C ATOM 57 O PHE A 5 -21.526 6.350 0.235 1.00 1.78 O ATOM 58 CB PHE A 5 -19.124 7.004 -2.388 1.00 2.50 C ATOM 59 CG PHE A 5 -19.597 7.028 -3.812 1.00 2.99 C ATOM 60 CD1 PHE A 5 -20.202 8.157 -4.336 1.00 3.34 C ATOM 61 CD2 PHE A 5 -19.431 5.919 -4.626 1.00 3.37 C ATOM 62 CE1 PHE A 5 -20.634 8.181 -5.649 1.00 4.01 C ATOM 63 CE2 PHE A 5 -19.862 5.935 -5.938 1.00 3.96 C ATOM 64 CZ PHE A 5 -20.483 7.072 -6.444 1.00 4.27 C ATOM 0 H PHE A 5 -18.633 7.728 -0.018 1.00 1.32 H new ATOM 0 HA PHE A 5 -20.817 8.200 -1.913 1.00 1.88 H new ATOM 0 HB2 PHE A 5 -18.238 7.633 -2.296 1.00 2.50 H new ATOM 0 HB3 PHE A 5 -18.823 5.989 -2.129 1.00 2.50 H new ATOM 0 HD1 PHE A 5 -20.338 9.028 -3.713 1.00 3.34 H new ATOM 0 HD2 PHE A 5 -18.959 5.032 -4.230 1.00 3.37 H new ATOM 0 HE1 PHE A 5 -21.091 9.074 -6.050 1.00 4.01 H new ATOM 0 HE2 PHE A 5 -19.718 5.069 -6.568 1.00 3.96 H new ATOM 0 HZ PHE A 5 -20.846 7.082 -7.461 1.00 4.27 H new ATOM 74 N GLU A 6 -21.256 5.344 -1.747 1.00 1.60 N ATOM 75 CA GLU A 6 -22.037 4.192 -1.381 1.00 1.52 C ATOM 76 C GLU A 6 -21.151 3.234 -0.588 1.00 1.24 C ATOM 77 O GLU A 6 -21.578 2.613 0.385 1.00 1.24 O ATOM 78 CB GLU A 6 -22.587 3.567 -2.646 1.00 1.66 C ATOM 79 CG GLU A 6 -21.596 2.687 -3.381 1.00 2.10 C ATOM 80 CD GLU A 6 -22.085 2.271 -4.755 1.00 2.44 C ATOM 81 OE1 GLU A 6 -23.150 1.628 -4.835 1.00 2.84 O ATOM 82 OE2 GLU A 6 -21.396 2.585 -5.749 1.00 2.75 O ATOM 0 H GLU A 6 -20.879 5.316 -2.695 1.00 1.60 H new ATOM 0 HA GLU A 6 -22.882 4.459 -0.747 1.00 1.52 H new ATOM 0 HB2 GLU A 6 -23.466 2.974 -2.393 1.00 1.66 H new ATOM 0 HB3 GLU A 6 -22.919 4.360 -3.316 1.00 1.66 H new ATOM 0 HG2 GLU A 6 -20.650 3.219 -3.483 1.00 2.10 H new ATOM 0 HG3 GLU A 6 -21.398 1.796 -2.786 1.00 2.10 H new ATOM 89 N TYR A 7 -19.894 3.171 -1.013 1.00 1.11 N ATOM 90 CA TYR A 7 -18.872 2.351 -0.367 1.00 0.94 C ATOM 91 C TYR A 7 -19.265 0.878 -0.261 1.00 0.89 C ATOM 92 O TYR A 7 -19.055 0.244 0.773 1.00 1.24 O ATOM 93 CB TYR A 7 -18.577 2.930 1.016 1.00 1.04 C ATOM 94 CG TYR A 7 -17.214 3.585 1.203 1.00 0.98 C ATOM 95 CD1 TYR A 7 -16.221 3.610 0.211 1.00 0.85 C ATOM 96 CD2 TYR A 7 -16.923 4.179 2.420 1.00 1.26 C ATOM 97 CE1 TYR A 7 -14.992 4.200 0.459 1.00 1.02 C ATOM 98 CE2 TYR A 7 -15.707 4.771 2.662 1.00 1.37 C ATOM 99 CZ TYR A 7 -14.747 4.774 1.688 1.00 1.27 C ATOM 100 OH TYR A 7 -13.520 5.332 1.951 1.00 1.49 O ATOM 0 H TYR A 7 -19.552 3.691 -1.821 1.00 1.11 H new ATOM 0 HA TYR A 7 -17.978 2.379 -0.990 1.00 0.94 H new ATOM 0 HB2 TYR A 7 -19.345 3.668 1.247 1.00 1.04 H new ATOM 0 HB3 TYR A 7 -18.674 2.129 1.749 1.00 1.04 H new ATOM 0 HD1 TYR A 7 -16.417 3.166 -0.754 1.00 0.85 H new ATOM 0 HD2 TYR A 7 -17.671 4.177 3.199 1.00 1.26 H new ATOM 0 HE1 TYR A 7 -14.230 4.210 -0.306 1.00 1.02 H new ATOM 0 HE2 TYR A 7 -15.510 5.232 3.618 1.00 1.37 H new ATOM 0 HH TYR A 7 -12.881 4.625 2.178 1.00 1.49 H new ATOM 110 N ALA A 8 -19.799 0.331 -1.339 1.00 0.77 N ATOM 111 CA ALA A 8 -20.178 -1.067 -1.383 1.00 0.72 C ATOM 112 C ALA A 8 -19.424 -1.711 -2.522 1.00 0.62 C ATOM 113 O ALA A 8 -19.972 -2.498 -3.293 1.00 0.69 O ATOM 114 CB ALA A 8 -21.682 -1.217 -1.558 1.00 0.89 C ATOM 0 H ALA A 8 -19.981 0.842 -2.203 1.00 0.77 H new ATOM 0 HA ALA A 8 -19.923 -1.559 -0.444 1.00 0.72 H new ATOM 0 HB1 ALA A 8 -21.941 -2.275 -1.588 1.00 0.89 H new ATOM 0 HB2 ALA A 8 -22.195 -0.742 -0.722 1.00 0.89 H new ATOM 0 HB3 ALA A 8 -21.989 -0.742 -2.490 1.00 0.89 H new ATOM 120 N GLU A 9 -18.158 -1.327 -2.642 1.00 0.57 N ATOM 121 CA GLU A 9 -17.309 -1.803 -3.699 1.00 0.59 C ATOM 122 C GLU A 9 -17.350 -3.315 -3.755 1.00 0.51 C ATOM 123 O GLU A 9 -17.466 -3.909 -4.826 1.00 0.56 O ATOM 124 CB GLU A 9 -15.856 -1.349 -3.523 1.00 0.71 C ATOM 125 CG GLU A 9 -15.596 -0.229 -2.530 1.00 0.64 C ATOM 126 CD GLU A 9 -16.372 1.053 -2.817 1.00 0.75 C ATOM 127 OE1 GLU A 9 -17.613 1.029 -2.675 1.00 1.28 O ATOM 128 OE2 GLU A 9 -15.755 2.071 -3.185 1.00 1.19 O ATOM 0 H GLU A 9 -17.702 -0.676 -2.003 1.00 0.57 H new ATOM 0 HA GLU A 9 -17.687 -1.378 -4.629 1.00 0.59 H new ATOM 0 HB2 GLU A 9 -15.266 -2.214 -3.220 1.00 0.71 H new ATOM 0 HB3 GLU A 9 -15.480 -1.032 -4.496 1.00 0.71 H new ATOM 0 HG2 GLU A 9 -15.851 -0.579 -1.530 1.00 0.64 H new ATOM 0 HG3 GLU A 9 -14.530 -0.002 -2.526 1.00 0.64 H new ATOM 135 N VAL A 10 -17.256 -3.931 -2.572 1.00 0.43 N ATOM 136 CA VAL A 10 -17.282 -5.387 -2.449 1.00 0.42 C ATOM 137 C VAL A 10 -16.458 -6.020 -3.550 1.00 0.46 C ATOM 138 O VAL A 10 -16.797 -7.074 -4.083 1.00 0.53 O ATOM 139 CB VAL A 10 -18.727 -5.871 -2.518 1.00 0.52 C ATOM 140 CG1 VAL A 10 -19.313 -5.692 -3.916 1.00 0.94 C ATOM 141 CG2 VAL A 10 -18.850 -7.309 -2.038 1.00 1.06 C ATOM 0 H VAL A 10 -17.161 -3.439 -1.684 1.00 0.43 H new ATOM 0 HA VAL A 10 -16.851 -5.679 -1.491 1.00 0.42 H new ATOM 0 HB VAL A 10 -19.314 -5.249 -1.842 1.00 0.52 H new ATOM 0 HG11 VAL A 10 -20.343 -6.048 -3.927 1.00 0.94 H new ATOM 0 HG12 VAL A 10 -19.290 -4.637 -4.188 1.00 0.94 H new ATOM 0 HG13 VAL A 10 -18.724 -6.264 -4.633 1.00 0.94 H new ATOM 0 HG21 VAL A 10 -19.891 -7.625 -2.099 1.00 1.06 H new ATOM 0 HG22 VAL A 10 -18.237 -7.956 -2.666 1.00 1.06 H new ATOM 0 HG23 VAL A 10 -18.510 -7.378 -1.005 1.00 1.06 H new ATOM 151 N ASP A 11 -15.386 -5.317 -3.884 1.00 0.45 N ATOM 152 CA ASP A 11 -14.464 -5.714 -4.956 1.00 0.53 C ATOM 153 C ASP A 11 -13.610 -4.524 -5.452 1.00 0.54 C ATOM 154 O ASP A 11 -12.565 -4.732 -6.068 1.00 0.68 O ATOM 155 CB ASP A 11 -15.243 -6.290 -6.146 1.00 0.64 C ATOM 156 CG ASP A 11 -14.374 -6.537 -7.367 1.00 1.20 C ATOM 157 OD1 ASP A 11 -13.432 -7.351 -7.268 1.00 1.69 O ATOM 158 OD2 ASP A 11 -14.639 -5.919 -8.418 1.00 1.94 O ATOM 0 H ASP A 11 -15.123 -4.448 -3.420 1.00 0.45 H new ATOM 0 HA ASP A 11 -13.800 -6.471 -4.539 1.00 0.53 H new ATOM 0 HB2 ASP A 11 -15.711 -7.227 -5.846 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -16.046 -5.603 -6.413 1.00 0.64 H new ATOM 163 N GLU A 12 -14.071 -3.290 -5.226 1.00 0.49 N ATOM 164 CA GLU A 12 -13.343 -2.102 -5.711 1.00 0.54 C ATOM 165 C GLU A 12 -12.931 -1.123 -4.595 1.00 0.50 C ATOM 166 O GLU A 12 -13.552 -0.083 -4.432 1.00 0.60 O ATOM 167 CB GLU A 12 -14.218 -1.366 -6.719 1.00 0.64 C ATOM 168 CG GLU A 12 -13.574 -1.224 -8.085 1.00 1.27 C ATOM 169 CD GLU A 12 -14.440 -0.456 -9.063 1.00 1.74 C ATOM 170 OE1 GLU A 12 -15.551 -0.038 -8.672 1.00 2.23 O ATOM 171 OE2 GLU A 12 -14.007 -0.273 -10.221 1.00 2.26 O ATOM 0 H GLU A 12 -14.931 -3.084 -4.719 1.00 0.49 H new ATOM 0 HA GLU A 12 -12.419 -2.463 -6.163 1.00 0.54 H new ATOM 0 HB2 GLU A 12 -15.164 -1.898 -6.825 1.00 0.64 H new ATOM 0 HB3 GLU A 12 -14.452 -0.375 -6.331 1.00 0.64 H new ATOM 0 HG2 GLU A 12 -12.615 -0.717 -7.979 1.00 1.27 H new ATOM 0 HG3 GLU A 12 -13.367 -2.215 -8.489 1.00 1.27 H new ATOM 178 N ILE A 13 -11.876 -1.473 -3.850 1.00 0.42 N ATOM 179 CA ILE A 13 -11.330 -0.677 -2.733 1.00 0.38 C ATOM 180 C ILE A 13 -12.290 0.338 -2.068 1.00 0.39 C ATOM 181 O ILE A 13 -12.815 1.245 -2.710 1.00 0.52 O ATOM 182 CB ILE A 13 -10.060 0.075 -3.139 1.00 0.48 C ATOM 183 CG1 ILE A 13 -10.337 1.163 -4.177 1.00 1.00 C ATOM 184 CG2 ILE A 13 -9.019 -0.889 -3.679 1.00 0.95 C ATOM 185 CD1 ILE A 13 -10.842 0.639 -5.503 1.00 1.56 C ATOM 0 H ILE A 13 -11.362 -2.340 -4.008 1.00 0.42 H new ATOM 0 HA ILE A 13 -11.127 -1.444 -1.986 1.00 0.38 H new ATOM 0 HB ILE A 13 -9.680 0.560 -2.240 1.00 0.48 H new ATOM 0 HG12 ILE A 13 -11.071 1.859 -3.771 1.00 1.00 H new ATOM 0 HG13 ILE A 13 -9.421 1.729 -4.347 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -8.123 -0.336 -3.962 1.00 0.95 H new ATOM 0 HG22 ILE A 13 -8.766 -1.620 -2.911 1.00 0.95 H new ATOM 0 HG23 ILE A 13 -9.419 -1.404 -4.552 1.00 0.95 H new ATOM 0 HD11 ILE A 13 -11.014 1.474 -6.183 1.00 1.56 H new ATOM 0 HD12 ILE A 13 -10.101 -0.034 -5.935 1.00 1.56 H new ATOM 0 HD13 ILE A 13 -11.776 0.099 -5.349 1.00 1.56 H new ATOM 197 N VAL A 14 -12.458 0.200 -0.742 1.00 0.33 N ATOM 198 CA VAL A 14 -13.292 1.100 0.048 1.00 0.37 C ATOM 199 C VAL A 14 -12.416 1.946 0.964 1.00 0.37 C ATOM 200 O VAL A 14 -12.820 3.016 1.387 1.00 0.48 O ATOM 201 CB VAL A 14 -14.388 0.339 0.878 1.00 0.38 C ATOM 202 CG1 VAL A 14 -14.295 0.578 2.389 1.00 0.44 C ATOM 203 CG2 VAL A 14 -15.774 0.737 0.406 1.00 0.51 C ATOM 0 H VAL A 14 -12.017 -0.540 -0.195 1.00 0.33 H new ATOM 0 HA VAL A 14 -13.824 1.747 -0.649 1.00 0.37 H new ATOM 0 HB VAL A 14 -14.205 -0.722 0.706 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -15.083 0.021 2.895 1.00 0.44 H new ATOM 0 HG12 VAL A 14 -13.323 0.242 2.751 1.00 0.44 H new ATOM 0 HG13 VAL A 14 -14.412 1.642 2.597 1.00 0.44 H new ATOM 0 HG21 VAL A 14 -16.524 0.203 0.989 1.00 0.51 H new ATOM 0 HG22 VAL A 14 -15.909 1.811 0.538 1.00 0.51 H new ATOM 0 HG23 VAL A 14 -15.886 0.484 -0.648 1.00 0.51 H new ATOM 213 N GLU A 15 -11.222 1.470 1.293 1.00 0.28 N ATOM 214 CA GLU A 15 -10.370 2.269 2.173 1.00 0.30 C ATOM 215 C GLU A 15 -8.956 2.377 1.637 1.00 0.31 C ATOM 216 O GLU A 15 -8.634 1.800 0.598 1.00 0.56 O ATOM 217 CB GLU A 15 -10.352 1.747 3.607 1.00 0.33 C ATOM 218 CG GLU A 15 -10.642 2.848 4.613 1.00 0.77 C ATOM 219 CD GLU A 15 -10.549 2.369 6.049 1.00 1.01 C ATOM 220 OE1 GLU A 15 -9.458 1.921 6.457 1.00 1.44 O ATOM 221 OE2 GLU A 15 -11.571 2.442 6.764 1.00 1.34 O ATOM 0 H GLU A 15 -10.832 0.579 0.984 1.00 0.28 H new ATOM 0 HA GLU A 15 -10.811 3.265 2.192 1.00 0.30 H new ATOM 0 HB2 GLU A 15 -11.091 0.953 3.714 1.00 0.33 H new ATOM 0 HB3 GLU A 15 -9.378 1.307 3.821 1.00 0.33 H new ATOM 0 HG2 GLU A 15 -9.939 3.667 4.461 1.00 0.77 H new ATOM 0 HG3 GLU A 15 -11.640 3.247 4.431 1.00 0.77 H new ATOM 228 N LYS A 16 -8.114 3.159 2.330 1.00 0.26 N ATOM 229 CA LYS A 16 -6.742 3.376 1.874 1.00 0.29 C ATOM 230 C LYS A 16 -5.961 4.357 2.755 1.00 0.47 C ATOM 231 O LYS A 16 -6.396 4.700 3.854 1.00 0.82 O ATOM 232 CB LYS A 16 -6.819 3.918 0.465 1.00 0.45 C ATOM 233 CG LYS A 16 -7.824 5.058 0.295 1.00 0.89 C ATOM 234 CD LYS A 16 -7.442 6.301 1.087 1.00 1.44 C ATOM 235 CE LYS A 16 -8.252 6.418 2.370 1.00 2.23 C ATOM 236 NZ LYS A 16 -7.800 7.559 3.211 1.00 3.04 N ATOM 0 H LYS A 16 -8.358 3.643 3.194 1.00 0.26 H new ATOM 0 HA LYS A 16 -6.207 2.428 1.925 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -5.831 4.270 0.167 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -7.086 3.107 -0.212 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -7.901 5.315 -0.762 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -8.810 4.718 0.613 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -6.380 6.267 1.328 1.00 1.44 H new ATOM 0 HD3 LYS A 16 -7.601 7.188 0.473 1.00 1.44 H new ATOM 0 HE2 LYS A 16 -9.306 6.544 2.123 1.00 2.23 H new ATOM 0 HE3 LYS A 16 -8.167 5.492 2.939 1.00 2.23 H new ATOM 0 HZ1 LYS A 16 -7.344 7.196 4.072 1.00 3.04 H new ATOM 0 HZ2 LYS A 16 -7.120 8.136 2.676 1.00 3.04 H new ATOM 0 HZ3 LYS A 16 -8.620 8.143 3.473 1.00 3.04 H new ATOM 250 N ARG A 17 -4.797 4.821 2.252 1.00 0.44 N ATOM 251 CA ARG A 17 -3.969 5.772 2.969 1.00 0.63 C ATOM 252 C ARG A 17 -3.204 5.084 4.091 1.00 1.08 C ATOM 253 O ARG A 17 -3.779 4.344 4.886 1.00 1.89 O ATOM 254 CB ARG A 17 -4.812 6.914 3.529 1.00 1.24 C ATOM 255 CG ARG A 17 -3.976 8.085 4.003 1.00 2.28 C ATOM 256 CD ARG A 17 -4.833 9.312 4.235 1.00 3.13 C ATOM 257 NE ARG A 17 -4.049 10.444 4.716 1.00 3.73 N ATOM 258 CZ ARG A 17 -4.559 11.648 4.938 1.00 4.40 C ATOM 259 NH1 ARG A 17 -5.843 11.880 4.698 1.00 4.67 N ATOM 260 NH2 ARG A 17 -3.786 12.623 5.394 1.00 5.19 N ATOM 0 H ARG A 17 -4.421 4.541 1.346 1.00 0.44 H new ATOM 0 HA ARG A 17 -3.250 6.188 2.263 1.00 0.63 H new ATOM 0 HB2 ARG A 17 -5.506 7.257 2.762 1.00 1.24 H new ATOM 0 HB3 ARG A 17 -5.412 6.543 4.360 1.00 1.24 H new ATOM 0 HG2 ARG A 17 -3.462 7.818 4.926 1.00 2.28 H new ATOM 0 HG3 ARG A 17 -3.208 8.310 3.263 1.00 2.28 H new ATOM 0 HD2 ARG A 17 -5.333 9.586 3.306 1.00 3.13 H new ATOM 0 HD3 ARG A 17 -5.613 9.078 4.959 1.00 3.13 H new ATOM 0 HE ARG A 17 -3.054 10.302 4.891 1.00 3.73 H new ATOM 0 HH11 ARG A 17 -6.439 11.132 4.343 1.00 4.67 H new ATOM 0 HH12 ARG A 17 -6.235 12.806 4.869 1.00 4.67 H new ATOM 0 HH21 ARG A 17 -2.798 12.448 5.575 1.00 5.19 H new ATOM 0 HH22 ARG A 17 -4.180 13.549 5.564 1.00 5.19 H new ATOM 274 N GLY A 18 -1.903 5.334 4.150 1.00 1.31 N ATOM 275 CA GLY A 18 -1.085 4.735 5.172 1.00 2.00 C ATOM 276 C GLY A 18 0.339 5.270 5.202 1.00 2.22 C ATOM 277 O GLY A 18 0.594 6.439 4.912 1.00 2.45 O ATOM 0 H GLY A 18 -1.403 5.944 3.503 1.00 1.31 H new ATOM 0 HA2 GLY A 18 -1.549 4.905 6.144 1.00 2.00 H new ATOM 0 HA3 GLY A 18 -1.056 3.656 5.017 1.00 2.00 H new ATOM 281 N LYS A 19 1.261 4.379 5.584 1.00 2.48 N ATOM 282 CA LYS A 19 2.676 4.710 5.694 1.00 2.97 C ATOM 283 C LYS A 19 3.126 5.589 4.529 1.00 2.66 C ATOM 284 O LYS A 19 2.572 5.512 3.435 1.00 2.54 O ATOM 285 CB LYS A 19 3.522 3.439 5.744 1.00 3.46 C ATOM 286 CG LYS A 19 3.268 2.589 6.979 1.00 4.17 C ATOM 287 CD LYS A 19 4.216 1.401 7.052 1.00 4.98 C ATOM 288 CE LYS A 19 3.986 0.582 8.314 1.00 5.96 C ATOM 289 NZ LYS A 19 4.214 1.379 9.554 1.00 6.54 N ATOM 0 H LYS A 19 1.042 3.412 5.824 1.00 2.48 H new ATOM 0 HA LYS A 19 2.817 5.266 6.621 1.00 2.97 H new ATOM 0 HB2 LYS A 19 3.320 2.842 4.854 1.00 3.46 H new ATOM 0 HB3 LYS A 19 4.577 3.713 5.712 1.00 3.46 H new ATOM 0 HG2 LYS A 19 3.384 3.202 7.873 1.00 4.17 H new ATOM 0 HG3 LYS A 19 2.238 2.232 6.969 1.00 4.17 H new ATOM 0 HD2 LYS A 19 4.076 0.768 6.176 1.00 4.98 H new ATOM 0 HD3 LYS A 19 5.247 1.755 7.029 1.00 4.98 H new ATOM 0 HE2 LYS A 19 2.966 0.197 8.314 1.00 5.96 H new ATOM 0 HE3 LYS A 19 4.652 -0.281 8.311 1.00 5.96 H new ATOM 0 HZ1 LYS A 19 4.297 0.738 10.368 1.00 6.54 H new ATOM 0 HZ2 LYS A 19 5.090 1.930 9.456 1.00 6.54 H new ATOM 0 HZ3 LYS A 19 3.413 2.026 9.703 1.00 6.54 H new ATOM 303 N GLY A 20 4.137 6.422 4.763 1.00 2.95 N ATOM 304 CA GLY A 20 4.639 7.293 3.713 1.00 3.08 C ATOM 305 C GLY A 20 4.800 6.578 2.378 1.00 2.93 C ATOM 306 O GLY A 20 4.769 7.209 1.321 1.00 3.38 O ATOM 0 H GLY A 20 4.617 6.510 5.659 1.00 2.95 H new ATOM 0 HA2 GLY A 20 3.958 8.135 3.589 1.00 3.08 H new ATOM 0 HA3 GLY A 20 5.601 7.704 4.018 1.00 3.08 H new ATOM 310 N LYS A 21 4.993 5.259 2.426 1.00 2.71 N ATOM 311 CA LYS A 21 5.182 4.472 1.213 1.00 2.99 C ATOM 312 C LYS A 21 4.251 3.253 1.151 1.00 2.67 C ATOM 313 O LYS A 21 3.775 2.887 0.075 1.00 3.19 O ATOM 314 CB LYS A 21 6.638 4.009 1.131 1.00 3.64 C ATOM 315 CG LYS A 21 7.074 3.169 2.320 1.00 4.42 C ATOM 316 CD LYS A 21 8.512 2.705 2.182 1.00 5.23 C ATOM 317 CE LYS A 21 8.944 1.877 3.381 1.00 5.87 C ATOM 318 NZ LYS A 21 8.860 2.653 4.649 1.00 6.40 N ATOM 0 H LYS A 21 5.022 4.718 3.290 1.00 2.71 H new ATOM 0 HA LYS A 21 4.935 5.112 0.366 1.00 2.99 H new ATOM 0 HB2 LYS A 21 6.776 3.431 0.217 1.00 3.64 H new ATOM 0 HB3 LYS A 21 7.285 4.883 1.056 1.00 3.64 H new ATOM 0 HG2 LYS A 21 6.965 3.750 3.236 1.00 4.42 H new ATOM 0 HG3 LYS A 21 6.419 2.302 2.413 1.00 4.42 H new ATOM 0 HD2 LYS A 21 8.620 2.115 1.272 1.00 5.23 H new ATOM 0 HD3 LYS A 21 9.167 3.570 2.080 1.00 5.23 H new ATOM 0 HE2 LYS A 21 8.315 0.990 3.456 1.00 5.87 H new ATOM 0 HE3 LYS A 21 9.967 1.531 3.234 1.00 5.87 H new ATOM 0 HZ1 LYS A 21 9.377 2.150 5.399 1.00 6.40 H new ATOM 0 HZ2 LYS A 21 9.281 3.594 4.509 1.00 6.40 H new ATOM 0 HZ3 LYS A 21 7.863 2.758 4.926 1.00 6.40 H new ATOM 332 N ASP A 22 4.016 2.607 2.292 1.00 2.05 N ATOM 333 CA ASP A 22 3.170 1.412 2.337 1.00 1.82 C ATOM 334 C ASP A 22 1.688 1.747 2.312 1.00 1.49 C ATOM 335 O ASP A 22 0.924 1.344 3.189 1.00 1.91 O ATOM 336 CB ASP A 22 3.495 0.550 3.560 1.00 2.35 C ATOM 337 CG ASP A 22 2.893 -0.838 3.470 1.00 2.77 C ATOM 338 OD1 ASP A 22 1.649 -0.945 3.428 1.00 3.28 O ATOM 339 OD2 ASP A 22 3.661 -1.820 3.443 1.00 3.13 O ATOM 0 H ASP A 22 4.397 2.888 3.195 1.00 2.05 H new ATOM 0 HA ASP A 22 3.393 0.843 1.434 1.00 1.82 H new ATOM 0 HB2 ASP A 22 4.577 0.467 3.664 1.00 2.35 H new ATOM 0 HB3 ASP A 22 3.125 1.045 4.458 1.00 2.35 H new ATOM 344 N VAL A 23 1.293 2.438 1.261 1.00 0.98 N ATOM 345 CA VAL A 23 -0.098 2.785 1.041 1.00 0.77 C ATOM 346 C VAL A 23 -0.770 1.628 0.336 1.00 0.57 C ATOM 347 O VAL A 23 -0.117 0.868 -0.378 1.00 0.70 O ATOM 348 CB VAL A 23 -0.232 3.996 0.125 1.00 0.90 C ATOM 349 CG1 VAL A 23 -1.639 4.566 0.185 1.00 1.50 C ATOM 350 CG2 VAL A 23 0.816 5.052 0.443 1.00 1.54 C ATOM 0 H VAL A 23 1.926 2.775 0.536 1.00 0.98 H new ATOM 0 HA VAL A 23 -0.549 3.007 2.008 1.00 0.77 H new ATOM 0 HB VAL A 23 -0.052 3.665 -0.898 1.00 0.90 H new ATOM 0 HG11 VAL A 23 -1.710 5.429 -0.477 1.00 1.50 H new ATOM 0 HG12 VAL A 23 -2.353 3.806 -0.132 1.00 1.50 H new ATOM 0 HG13 VAL A 23 -1.864 4.872 1.207 1.00 1.50 H new ATOM 0 HG21 VAL A 23 0.692 5.902 -0.229 1.00 1.54 H new ATOM 0 HG22 VAL A 23 0.697 5.384 1.474 1.00 1.54 H new ATOM 0 HG23 VAL A 23 1.811 4.628 0.311 1.00 1.54 H new ATOM 360 N GLU A 24 -2.064 1.491 0.516 1.00 0.53 N ATOM 361 CA GLU A 24 -2.778 0.426 -0.133 1.00 0.45 C ATOM 362 C GLU A 24 -4.285 0.640 -0.109 1.00 0.44 C ATOM 363 O GLU A 24 -4.815 1.408 0.686 1.00 0.47 O ATOM 364 CB GLU A 24 -2.325 -0.916 0.431 1.00 0.66 C ATOM 365 CG GLU A 24 -2.154 -0.906 1.931 1.00 1.82 C ATOM 366 CD GLU A 24 -1.701 -2.230 2.516 1.00 2.49 C ATOM 367 OE1 GLU A 24 -0.995 -2.985 1.818 1.00 2.95 O ATOM 368 OE2 GLU A 24 -2.016 -2.493 3.695 1.00 3.03 O ATOM 0 H GLU A 24 -2.635 2.100 1.102 1.00 0.53 H new ATOM 0 HA GLU A 24 -2.530 0.424 -1.194 1.00 0.45 H new ATOM 0 HB2 GLU A 24 -3.053 -1.681 0.160 1.00 0.66 H new ATOM 0 HB3 GLU A 24 -1.380 -1.197 -0.034 1.00 0.66 H new ATOM 0 HG2 GLU A 24 -1.429 -0.137 2.197 1.00 1.82 H new ATOM 0 HG3 GLU A 24 -3.101 -0.624 2.391 1.00 1.82 H new ATOM 375 N TYR A 25 -4.931 0.001 -1.089 1.00 0.44 N ATOM 376 CA TYR A 25 -6.361 0.133 -1.329 1.00 0.46 C ATOM 377 C TYR A 25 -6.971 -1.218 -1.554 1.00 0.50 C ATOM 378 O TYR A 25 -6.558 -1.942 -2.446 1.00 0.76 O ATOM 379 CB TYR A 25 -6.610 1.032 -2.565 1.00 0.46 C ATOM 380 CG TYR A 25 -5.949 2.364 -2.425 1.00 0.41 C ATOM 381 CD1 TYR A 25 -4.584 2.474 -2.318 1.00 0.42 C ATOM 382 CD2 TYR A 25 -6.699 3.517 -2.469 1.00 0.48 C ATOM 383 CE1 TYR A 25 -3.988 3.723 -2.271 1.00 0.46 C ATOM 384 CE2 TYR A 25 -6.130 4.745 -2.422 1.00 0.56 C ATOM 385 CZ TYR A 25 -4.687 4.782 -2.004 1.00 0.49 C ATOM 386 OH TYR A 25 -4.197 6.107 -2.294 1.00 0.67 O ATOM 0 H TYR A 25 -4.465 -0.629 -1.743 1.00 0.44 H new ATOM 0 HA TYR A 25 -6.823 0.592 -0.455 1.00 0.46 H new ATOM 0 HB2 TYR A 25 -6.236 0.533 -3.459 1.00 0.46 H new ATOM 0 HB3 TYR A 25 -7.682 1.171 -2.703 1.00 0.46 H new ATOM 0 HD1 TYR A 25 -3.974 1.584 -2.270 1.00 0.42 H new ATOM 0 HD2 TYR A 25 -7.774 3.440 -2.543 1.00 0.48 H new ATOM 0 HE1 TYR A 25 -2.929 3.816 -2.459 1.00 0.46 H new ATOM 0 HE2 TYR A 25 -6.679 5.642 -2.669 1.00 0.56 H new ATOM 0 HH TYR A 25 -4.297 6.291 -3.251 1.00 0.67 H new ATOM 396 N LEU A 26 -7.946 -1.547 -0.717 1.00 0.29 N ATOM 397 CA LEU A 26 -8.627 -2.836 -0.778 1.00 0.30 C ATOM 398 C LEU A 26 -9.416 -3.078 0.512 1.00 0.25 C ATOM 399 O LEU A 26 -9.106 -3.990 1.228 1.00 0.35 O ATOM 400 CB LEU A 26 -7.590 -3.971 -0.962 1.00 0.43 C ATOM 401 CG LEU A 26 -7.237 -4.455 -2.391 1.00 0.86 C ATOM 402 CD1 LEU A 26 -7.079 -5.967 -2.409 1.00 1.45 C ATOM 403 CD2 LEU A 26 -8.246 -4.014 -3.448 1.00 1.65 C ATOM 0 H LEU A 26 -8.287 -0.931 0.021 1.00 0.29 H new ATOM 0 HA LEU A 26 -9.314 -2.828 -1.624 1.00 0.30 H new ATOM 0 HB2 LEU A 26 -6.663 -3.647 -0.488 1.00 0.43 H new ATOM 0 HB3 LEU A 26 -7.949 -4.835 -0.403 1.00 0.43 H new ATOM 0 HG LEU A 26 -6.291 -3.981 -2.654 1.00 0.86 H new ATOM 0 HD11 LEU A 26 -6.831 -6.295 -3.419 1.00 1.45 H new ATOM 0 HD12 LEU A 26 -6.280 -6.258 -1.727 1.00 1.45 H new ATOM 0 HD13 LEU A 26 -8.012 -6.434 -2.095 1.00 1.45 H new ATOM 0 HD21 LEU A 26 -7.937 -4.387 -4.424 1.00 1.65 H new ATOM 0 HD22 LEU A 26 -9.230 -4.414 -3.201 1.00 1.65 H new ATOM 0 HD23 LEU A 26 -8.293 -2.925 -3.474 1.00 1.65 H new ATOM 415 N VAL A 27 -10.428 -2.265 0.812 1.00 0.22 N ATOM 416 CA VAL A 27 -11.214 -2.455 2.046 1.00 0.23 C ATOM 417 C VAL A 27 -12.712 -2.573 1.741 1.00 0.22 C ATOM 418 O VAL A 27 -13.534 -1.911 2.360 1.00 0.33 O ATOM 419 CB VAL A 27 -11.009 -1.305 3.052 1.00 0.30 C ATOM 420 CG1 VAL A 27 -11.870 -1.490 4.297 1.00 0.39 C ATOM 421 CG2 VAL A 27 -9.562 -1.190 3.472 1.00 0.41 C ATOM 0 H VAL A 27 -10.725 -1.479 0.233 1.00 0.22 H new ATOM 0 HA VAL A 27 -10.852 -3.382 2.491 1.00 0.23 H new ATOM 0 HB VAL A 27 -11.310 -0.390 2.541 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -11.700 -0.661 4.984 1.00 0.39 H new ATOM 0 HG12 VAL A 27 -12.922 -1.514 4.012 1.00 0.39 H new ATOM 0 HG13 VAL A 27 -11.605 -2.427 4.787 1.00 0.39 H new ATOM 0 HG21 VAL A 27 -9.453 -0.370 4.181 1.00 0.41 H new ATOM 0 HG22 VAL A 27 -9.245 -2.121 3.942 1.00 0.41 H new ATOM 0 HG23 VAL A 27 -8.943 -0.997 2.596 1.00 0.41 H new ATOM 431 N ARG A 28 -13.069 -3.361 0.752 1.00 0.17 N ATOM 432 CA ARG A 28 -14.470 -3.459 0.356 1.00 0.23 C ATOM 433 C ARG A 28 -14.966 -4.859 0.091 1.00 0.29 C ATOM 434 O ARG A 28 -16.079 -5.226 0.464 1.00 0.51 O ATOM 435 CB ARG A 28 -14.667 -2.653 -0.911 1.00 0.30 C ATOM 436 CG ARG A 28 -13.402 -2.377 -1.721 1.00 0.32 C ATOM 437 CD ARG A 28 -12.900 -3.617 -2.442 1.00 0.44 C ATOM 438 NE ARG A 28 -11.646 -4.118 -1.895 1.00 0.66 N ATOM 439 CZ ARG A 28 -11.029 -5.208 -2.335 1.00 0.88 C ATOM 440 NH1 ARG A 28 -11.484 -5.868 -3.378 1.00 0.60 N ATOM 441 NH2 ARG A 28 -9.955 -5.636 -1.720 1.00 1.56 N ATOM 0 H ARG A 28 -12.426 -3.938 0.210 1.00 0.17 H new ATOM 0 HA ARG A 28 -15.043 -3.083 1.203 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -15.377 -3.180 -1.548 1.00 0.30 H new ATOM 0 HB3 ARG A 28 -15.123 -1.699 -0.646 1.00 0.30 H new ATOM 0 HG2 ARG A 28 -13.603 -1.592 -2.450 1.00 0.32 H new ATOM 0 HG3 ARG A 28 -12.622 -2.004 -1.057 1.00 0.32 H new ATOM 0 HD2 ARG A 28 -13.657 -4.399 -2.380 1.00 0.44 H new ATOM 0 HD3 ARG A 28 -12.764 -3.388 -3.499 1.00 0.44 H new ATOM 0 HE ARG A 28 -11.217 -3.600 -1.128 1.00 0.66 H new ATOM 0 HH11 ARG A 28 -12.322 -5.544 -3.861 1.00 0.60 H new ATOM 0 HH12 ARG A 28 -10.999 -6.704 -3.704 1.00 0.60 H new ATOM 0 HH21 ARG A 28 -9.597 -5.133 -0.908 1.00 1.56 H new ATOM 0 HH22 ARG A 28 -9.476 -6.473 -2.053 1.00 1.56 H new ATOM 455 N TRP A 29 -14.137 -5.620 -0.568 1.00 0.30 N ATOM 456 CA TRP A 29 -14.467 -6.956 -0.920 1.00 0.36 C ATOM 457 C TRP A 29 -15.026 -7.761 0.263 1.00 0.37 C ATOM 458 O TRP A 29 -16.233 -7.784 0.510 1.00 0.52 O ATOM 459 CB TRP A 29 -13.258 -7.635 -1.612 1.00 0.44 C ATOM 460 CG TRP A 29 -11.894 -7.592 -0.909 1.00 0.43 C ATOM 461 CD1 TRP A 29 -10.784 -8.273 -1.330 1.00 0.58 C ATOM 462 CD2 TRP A 29 -11.476 -6.881 0.297 1.00 0.37 C ATOM 463 NE1 TRP A 29 -9.723 -8.045 -0.486 1.00 0.60 N ATOM 464 CE2 TRP A 29 -10.112 -7.205 0.511 1.00 0.45 C ATOM 465 CE3 TRP A 29 -12.099 -6.016 1.218 1.00 0.42 C ATOM 466 CZ2 TRP A 29 -9.375 -6.702 1.583 1.00 0.45 C ATOM 467 CZ3 TRP A 29 -11.367 -5.531 2.275 1.00 0.47 C ATOM 468 CH2 TRP A 29 -10.024 -5.875 2.450 1.00 0.44 C ATOM 0 H TRP A 29 -13.211 -5.321 -0.874 1.00 0.30 H new ATOM 0 HA TRP A 29 -15.285 -6.929 -1.640 1.00 0.36 H new ATOM 0 HB2 TRP A 29 -13.514 -8.682 -1.775 1.00 0.44 H new ATOM 0 HB3 TRP A 29 -13.139 -7.179 -2.595 1.00 0.44 H new ATOM 0 HD1 TRP A 29 -10.747 -8.904 -2.206 1.00 0.58 H new ATOM 0 HE1 TRP A 29 -8.790 -8.443 -0.591 1.00 0.60 H new ATOM 0 HE3 TRP A 29 -13.135 -5.738 1.095 1.00 0.42 H new ATOM 0 HZ2 TRP A 29 -8.335 -6.957 1.720 1.00 0.45 H new ATOM 0 HZ3 TRP A 29 -11.840 -4.870 2.986 1.00 0.47 H new ATOM 0 HH2 TRP A 29 -9.485 -5.474 3.296 1.00 0.44 H new ATOM 479 N LYS A 30 -14.131 -8.415 0.957 1.00 0.35 N ATOM 480 CA LYS A 30 -14.453 -9.247 2.100 1.00 0.43 C ATOM 481 C LYS A 30 -14.538 -8.376 3.357 1.00 0.45 C ATOM 482 O LYS A 30 -15.471 -7.586 3.496 1.00 0.84 O ATOM 483 CB LYS A 30 -13.425 -10.378 2.240 1.00 0.52 C ATOM 484 CG LYS A 30 -13.387 -11.316 1.044 1.00 1.24 C ATOM 485 CD LYS A 30 -14.722 -12.011 0.837 1.00 1.88 C ATOM 486 CE LYS A 30 -15.122 -12.821 2.057 1.00 2.53 C ATOM 487 NZ LYS A 30 -16.417 -13.527 1.854 1.00 3.39 N ATOM 0 H LYS A 30 -13.134 -8.387 0.743 1.00 0.35 H new ATOM 0 HA LYS A 30 -15.425 -9.718 1.956 1.00 0.43 H new ATOM 0 HB2 LYS A 30 -12.436 -9.943 2.382 1.00 0.52 H new ATOM 0 HB3 LYS A 30 -13.651 -10.955 3.137 1.00 0.52 H new ATOM 0 HG2 LYS A 30 -13.126 -10.753 0.148 1.00 1.24 H new ATOM 0 HG3 LYS A 30 -12.606 -12.062 1.191 1.00 1.24 H new ATOM 0 HD2 LYS A 30 -15.491 -11.268 0.624 1.00 1.88 H new ATOM 0 HD3 LYS A 30 -14.662 -12.666 -0.032 1.00 1.88 H new ATOM 0 HE2 LYS A 30 -14.343 -13.549 2.281 1.00 2.53 H new ATOM 0 HE3 LYS A 30 -15.200 -12.161 2.921 1.00 2.53 H new ATOM 0 HZ1 LYS A 30 -16.655 -14.069 2.709 1.00 3.39 H new ATOM 0 HZ2 LYS A 30 -17.166 -12.831 1.666 1.00 3.39 H new ATOM 0 HZ3 LYS A 30 -16.336 -14.176 1.045 1.00 3.39 H new ATOM 501 N ASP A 31 -13.539 -8.480 4.245 1.00 0.56 N ATOM 502 CA ASP A 31 -13.499 -7.661 5.445 1.00 0.58 C ATOM 503 C ASP A 31 -14.753 -7.811 6.306 1.00 0.89 C ATOM 504 O ASP A 31 -15.848 -8.076 5.810 1.00 1.45 O ATOM 505 CB ASP A 31 -13.297 -6.201 5.041 1.00 0.73 C ATOM 506 CG ASP A 31 -13.398 -5.241 6.215 1.00 1.49 C ATOM 507 OD1 ASP A 31 -14.464 -5.210 6.866 1.00 2.01 O ATOM 508 OD2 ASP A 31 -12.417 -4.519 6.478 1.00 2.14 O ATOM 0 H ASP A 31 -12.754 -9.124 4.147 1.00 0.56 H new ATOM 0 HA ASP A 31 -12.665 -8.003 6.058 1.00 0.58 H new ATOM 0 HB2 ASP A 31 -12.319 -6.091 4.572 1.00 0.73 H new ATOM 0 HB3 ASP A 31 -14.042 -5.930 4.292 1.00 0.73 H new ATOM 513 N GLY A 32 -14.569 -7.618 7.606 1.00 1.01 N ATOM 514 CA GLY A 32 -15.667 -7.704 8.543 1.00 1.34 C ATOM 515 C GLY A 32 -15.299 -7.088 9.877 1.00 1.55 C ATOM 516 O GLY A 32 -15.918 -6.119 10.315 1.00 1.78 O ATOM 0 H GLY A 32 -13.667 -7.401 8.030 1.00 1.01 H new ATOM 0 HA2 GLY A 32 -16.539 -7.195 8.133 1.00 1.34 H new ATOM 0 HA3 GLY A 32 -15.945 -8.748 8.686 1.00 1.34 H new ATOM 520 N GLY A 33 -14.271 -7.643 10.510 1.00 1.72 N ATOM 521 CA GLY A 33 -13.821 -7.117 11.780 1.00 2.06 C ATOM 522 C GLY A 33 -12.756 -6.054 11.597 1.00 1.90 C ATOM 523 O GLY A 33 -12.838 -4.970 12.173 1.00 2.08 O ATOM 0 H GLY A 33 -13.744 -8.446 10.165 1.00 1.72 H new ATOM 0 HA2 GLY A 33 -14.668 -6.695 12.321 1.00 2.06 H new ATOM 0 HA3 GLY A 33 -13.425 -7.928 12.391 1.00 2.06 H new ATOM 527 N ASP A 34 -11.745 -6.386 10.796 1.00 1.71 N ATOM 528 CA ASP A 34 -10.634 -5.480 10.527 1.00 1.59 C ATOM 529 C ASP A 34 -10.375 -5.358 9.027 1.00 1.24 C ATOM 530 O ASP A 34 -10.763 -6.228 8.249 1.00 1.42 O ATOM 531 CB ASP A 34 -9.368 -5.968 11.229 1.00 1.74 C ATOM 532 CG ASP A 34 -9.547 -6.079 12.730 1.00 2.18 C ATOM 533 OD1 ASP A 34 -9.846 -5.047 13.371 1.00 2.53 O ATOM 534 OD2 ASP A 34 -9.393 -7.196 13.268 1.00 2.74 O ATOM 0 H ASP A 34 -11.674 -7.285 10.319 1.00 1.71 H new ATOM 0 HA ASP A 34 -10.904 -4.497 10.913 1.00 1.59 H new ATOM 0 HB2 ASP A 34 -9.084 -6.940 10.827 1.00 1.74 H new ATOM 0 HB3 ASP A 34 -8.549 -5.282 11.013 1.00 1.74 H new ATOM 539 N CYS A 35 -9.711 -4.277 8.631 1.00 1.02 N ATOM 540 CA CYS A 35 -9.389 -4.045 7.227 1.00 0.90 C ATOM 541 C CYS A 35 -8.331 -5.038 6.739 1.00 0.76 C ATOM 542 O CYS A 35 -7.343 -5.294 7.431 1.00 0.96 O ATOM 543 CB CYS A 35 -8.909 -2.606 7.037 1.00 1.24 C ATOM 544 SG CYS A 35 -10.143 -1.360 7.473 1.00 1.85 S ATOM 0 H CYS A 35 -9.385 -3.546 9.264 1.00 1.02 H new ATOM 0 HA CYS A 35 -10.289 -4.198 6.631 1.00 0.90 H new ATOM 0 HB2 CYS A 35 -8.017 -2.448 7.643 1.00 1.24 H new ATOM 0 HB3 CYS A 35 -8.616 -2.465 5.996 1.00 1.24 H new ATOM 0 HG CYS A 35 -9.758 -0.197 7.037 1.00 1.85 H new ATOM 550 N GLU A 36 -8.554 -5.601 5.553 1.00 0.54 N ATOM 551 CA GLU A 36 -7.635 -6.583 4.971 1.00 0.50 C ATOM 552 C GLU A 36 -6.909 -6.040 3.738 1.00 0.41 C ATOM 553 O GLU A 36 -6.063 -6.718 3.160 1.00 0.54 O ATOM 554 CB GLU A 36 -8.391 -7.852 4.560 1.00 0.53 C ATOM 555 CG GLU A 36 -9.730 -8.065 5.257 1.00 0.65 C ATOM 556 CD GLU A 36 -9.575 -8.356 6.737 1.00 1.34 C ATOM 557 OE1 GLU A 36 -8.913 -7.558 7.431 1.00 2.09 O ATOM 558 OE2 GLU A 36 -10.118 -9.382 7.201 1.00 1.76 O ATOM 0 H GLU A 36 -9.367 -5.394 4.972 1.00 0.54 H new ATOM 0 HA GLU A 36 -6.899 -6.808 5.743 1.00 0.50 H new ATOM 0 HB2 GLU A 36 -8.561 -7.822 3.484 1.00 0.53 H new ATOM 0 HB3 GLU A 36 -7.755 -8.715 4.758 1.00 0.53 H new ATOM 0 HG2 GLU A 36 -10.349 -7.177 5.128 1.00 0.65 H new ATOM 0 HG3 GLU A 36 -10.256 -8.892 4.781 1.00 0.65 H new ATOM 565 N TRP A 37 -7.250 -4.827 3.341 1.00 0.43 N ATOM 566 CA TRP A 37 -6.649 -4.182 2.172 1.00 0.45 C ATOM 567 C TRP A 37 -5.146 -4.348 2.140 1.00 0.52 C ATOM 568 O TRP A 37 -4.492 -4.213 3.163 1.00 0.93 O ATOM 569 CB TRP A 37 -7.013 -2.717 2.171 1.00 0.82 C ATOM 570 CG TRP A 37 -6.168 -1.844 3.041 1.00 0.51 C ATOM 571 CD1 TRP A 37 -5.475 -0.778 2.608 1.00 0.78 C ATOM 572 CD2 TRP A 37 -5.905 -1.960 4.448 1.00 0.85 C ATOM 573 NE1 TRP A 37 -4.819 -0.179 3.653 1.00 1.38 N ATOM 574 CE2 TRP A 37 -5.055 -0.898 4.792 1.00 1.36 C ATOM 575 CE3 TRP A 37 -6.301 -2.841 5.455 1.00 1.05 C ATOM 576 CZ2 TRP A 37 -4.600 -0.701 6.087 1.00 1.88 C ATOM 577 CZ3 TRP A 37 -5.846 -2.643 6.736 1.00 1.44 C ATOM 578 CH2 TRP A 37 -5.004 -1.583 7.043 1.00 1.83 C ATOM 0 H TRP A 37 -7.950 -4.256 3.815 1.00 0.43 H new ATOM 0 HA TRP A 37 -7.043 -4.666 1.278 1.00 0.45 H new ATOM 0 HB2 TRP A 37 -6.954 -2.346 1.148 1.00 0.82 H new ATOM 0 HB3 TRP A 37 -8.052 -2.618 2.486 1.00 0.82 H new ATOM 0 HD1 TRP A 37 -5.439 -0.441 1.583 1.00 0.78 H new ATOM 0 HE1 TRP A 37 -4.249 0.664 3.591 1.00 1.38 H new ATOM 0 HE3 TRP A 37 -6.957 -3.669 5.230 1.00 1.05 H new ATOM 0 HZ2 TRP A 37 -3.947 0.124 6.329 1.00 1.88 H new ATOM 0 HZ3 TRP A 37 -6.149 -3.324 7.518 1.00 1.44 H new ATOM 0 HH2 TRP A 37 -4.663 -1.455 8.060 1.00 1.83 H new ATOM 589 N VAL A 38 -4.600 -4.607 0.961 1.00 0.44 N ATOM 590 CA VAL A 38 -3.184 -4.756 0.823 1.00 0.55 C ATOM 591 C VAL A 38 -2.735 -4.050 -0.464 1.00 0.56 C ATOM 592 O VAL A 38 -3.494 -4.031 -1.390 1.00 1.64 O ATOM 593 CB VAL A 38 -2.764 -6.235 0.748 1.00 0.99 C ATOM 594 CG1 VAL A 38 -2.684 -6.851 2.135 1.00 1.83 C ATOM 595 CG2 VAL A 38 -3.727 -7.011 -0.132 1.00 1.37 C ATOM 0 H VAL A 38 -5.127 -4.716 0.095 1.00 0.44 H new ATOM 0 HA VAL A 38 -2.712 -4.315 1.701 1.00 0.55 H new ATOM 0 HB VAL A 38 -1.770 -6.286 0.304 1.00 0.99 H new ATOM 0 HG11 VAL A 38 -2.385 -7.896 2.052 1.00 1.83 H new ATOM 0 HG12 VAL A 38 -1.950 -6.310 2.732 1.00 1.83 H new ATOM 0 HG13 VAL A 38 -3.660 -6.790 2.617 1.00 1.83 H new ATOM 0 HG21 VAL A 38 -3.418 -8.055 -0.176 1.00 1.37 H new ATOM 0 HG22 VAL A 38 -4.732 -6.947 0.284 1.00 1.37 H new ATOM 0 HG23 VAL A 38 -3.723 -6.588 -1.137 1.00 1.37 H new ATOM 605 N LYS A 39 -1.520 -3.499 -0.554 1.00 0.48 N ATOM 606 CA LYS A 39 -1.079 -2.849 -1.795 1.00 0.37 C ATOM 607 C LYS A 39 -1.996 -1.730 -2.276 1.00 0.42 C ATOM 608 O LYS A 39 -3.217 -1.798 -2.177 1.00 1.01 O ATOM 609 CB LYS A 39 -0.922 -3.908 -2.907 1.00 0.93 C ATOM 610 CG LYS A 39 -0.090 -5.116 -2.492 1.00 1.70 C ATOM 611 CD LYS A 39 1.219 -4.692 -1.853 1.00 2.26 C ATOM 612 CE LYS A 39 2.058 -5.894 -1.444 1.00 2.93 C ATOM 613 NZ LYS A 39 2.381 -6.770 -2.602 1.00 3.46 N ATOM 0 H LYS A 39 -0.835 -3.489 0.202 1.00 0.48 H new ATOM 0 HA LYS A 39 -0.123 -2.377 -1.567 1.00 0.37 H new ATOM 0 HB2 LYS A 39 -1.911 -4.248 -3.215 1.00 0.93 H new ATOM 0 HB3 LYS A 39 -0.460 -3.442 -3.777 1.00 0.93 H new ATOM 0 HG2 LYS A 39 -0.658 -5.728 -1.791 1.00 1.70 H new ATOM 0 HG3 LYS A 39 0.113 -5.737 -3.364 1.00 1.70 H new ATOM 0 HD2 LYS A 39 1.783 -4.075 -2.553 1.00 2.26 H new ATOM 0 HD3 LYS A 39 1.014 -4.076 -0.978 1.00 2.26 H new ATOM 0 HE2 LYS A 39 2.983 -5.550 -0.981 1.00 2.93 H new ATOM 0 HE3 LYS A 39 1.521 -6.472 -0.692 1.00 2.93 H new ATOM 0 HZ1 LYS A 39 3.136 -7.433 -2.335 1.00 3.46 H new ATOM 0 HZ2 LYS A 39 1.533 -7.304 -2.880 1.00 3.46 H new ATOM 0 HZ3 LYS A 39 2.700 -6.186 -3.401 1.00 3.46 H new ATOM 627 N GLY A 40 -1.356 -0.697 -2.804 1.00 0.34 N ATOM 628 CA GLY A 40 -2.046 0.453 -3.319 1.00 0.25 C ATOM 629 C GLY A 40 -1.491 0.807 -4.656 1.00 0.40 C ATOM 630 O GLY A 40 -2.195 0.830 -5.663 1.00 0.49 O ATOM 0 H GLY A 40 -0.340 -0.643 -2.883 1.00 0.34 H new ATOM 0 HA2 GLY A 40 -3.113 0.244 -3.400 1.00 0.25 H new ATOM 0 HA3 GLY A 40 -1.936 1.293 -2.634 1.00 0.25 H new ATOM 634 N VAL A 41 -0.191 1.043 -4.651 1.00 0.54 N ATOM 635 CA VAL A 41 0.538 1.372 -5.874 1.00 0.73 C ATOM 636 C VAL A 41 0.146 0.409 -6.982 1.00 0.78 C ATOM 637 O VAL A 41 -0.091 0.807 -8.122 1.00 0.95 O ATOM 638 CB VAL A 41 2.063 1.311 -5.663 1.00 0.90 C ATOM 639 CG1 VAL A 41 2.490 -0.092 -5.255 1.00 1.46 C ATOM 640 CG2 VAL A 41 2.796 1.753 -6.918 1.00 1.53 C ATOM 0 H VAL A 41 0.388 1.014 -3.812 1.00 0.54 H new ATOM 0 HA VAL A 41 0.274 2.392 -6.152 1.00 0.73 H new ATOM 0 HB VAL A 41 2.326 1.996 -4.857 1.00 0.90 H new ATOM 0 HG11 VAL A 41 3.570 -0.116 -5.110 1.00 1.46 H new ATOM 0 HG12 VAL A 41 1.993 -0.367 -4.325 1.00 1.46 H new ATOM 0 HG13 VAL A 41 2.213 -0.799 -6.037 1.00 1.46 H new ATOM 0 HG21 VAL A 41 3.871 1.703 -6.748 1.00 1.53 H new ATOM 0 HG22 VAL A 41 2.528 1.097 -7.746 1.00 1.53 H new ATOM 0 HG23 VAL A 41 2.515 2.777 -7.162 1.00 1.53 H new ATOM 650 N HIS A 42 0.037 -0.856 -6.607 1.00 0.68 N ATOM 651 CA HIS A 42 -0.376 -1.897 -7.529 1.00 0.76 C ATOM 652 C HIS A 42 -1.895 -1.883 -7.632 1.00 0.71 C ATOM 653 O HIS A 42 -2.469 -2.111 -8.696 1.00 0.84 O ATOM 654 CB HIS A 42 0.094 -3.264 -7.029 1.00 0.78 C ATOM 655 CG HIS A 42 1.498 -3.261 -6.510 1.00 1.62 C ATOM 656 ND1 HIS A 42 2.597 -3.011 -7.307 1.00 2.42 N ATOM 657 CD2 HIS A 42 1.979 -3.463 -5.260 1.00 2.23 C ATOM 658 CE1 HIS A 42 3.691 -3.061 -6.570 1.00 3.43 C ATOM 659 NE2 HIS A 42 3.346 -3.331 -5.324 1.00 3.33 N ATOM 0 H HIS A 42 0.231 -1.186 -5.662 1.00 0.68 H new ATOM 0 HA HIS A 42 0.068 -1.714 -8.508 1.00 0.76 H new ATOM 0 HB2 HIS A 42 -0.576 -3.603 -6.239 1.00 0.78 H new ATOM 0 HB3 HIS A 42 0.018 -3.985 -7.843 1.00 0.78 H new ATOM 0 HD2 HIS A 42 1.397 -3.686 -4.378 1.00 2.23 H new ATOM 0 HE1 HIS A 42 4.699 -2.907 -6.926 1.00 3.43 H new ATOM 0 HE2 HIS A 42 3.989 -3.426 -4.538 1.00 3.33 H new ATOM 668 N VAL A 43 -2.530 -1.619 -6.492 1.00 0.57 N ATOM 669 CA VAL A 43 -3.984 -1.576 -6.402 1.00 0.58 C ATOM 670 C VAL A 43 -4.530 -0.170 -6.638 1.00 0.56 C ATOM 671 O VAL A 43 -5.454 0.265 -5.951 1.00 0.55 O ATOM 672 CB VAL A 43 -4.478 -2.079 -5.028 1.00 0.53 C ATOM 673 CG1 VAL A 43 -5.976 -2.297 -5.064 1.00 0.62 C ATOM 674 CG2 VAL A 43 -3.761 -3.363 -4.639 1.00 0.56 C ATOM 0 H VAL A 43 -2.053 -1.430 -5.611 1.00 0.57 H new ATOM 0 HA VAL A 43 -4.357 -2.235 -7.186 1.00 0.58 H new ATOM 0 HB VAL A 43 -4.252 -1.322 -4.277 1.00 0.53 H new ATOM 0 HG11 VAL A 43 -6.316 -2.652 -4.091 1.00 0.62 H new ATOM 0 HG12 VAL A 43 -6.475 -1.358 -5.302 1.00 0.62 H new ATOM 0 HG13 VAL A 43 -6.218 -3.039 -5.825 1.00 0.62 H new ATOM 0 HG21 VAL A 43 -4.123 -3.702 -3.668 1.00 0.56 H new ATOM 0 HG22 VAL A 43 -3.958 -4.131 -5.387 1.00 0.56 H new ATOM 0 HG23 VAL A 43 -2.688 -3.178 -4.582 1.00 0.56 H new ATOM 684 N ALA A 44 -3.965 0.539 -7.613 1.00 0.62 N ATOM 685 CA ALA A 44 -4.417 1.891 -7.922 1.00 0.63 C ATOM 686 C ALA A 44 -4.324 2.786 -6.691 1.00 0.50 C ATOM 687 O ALA A 44 -5.338 3.194 -6.126 1.00 0.51 O ATOM 688 CB ALA A 44 -5.844 1.852 -8.451 1.00 0.75 C ATOM 0 H ALA A 44 -3.200 0.202 -8.197 1.00 0.62 H new ATOM 0 HA ALA A 44 -3.768 2.310 -8.691 1.00 0.63 H new ATOM 0 HB1 ALA A 44 -6.175 2.865 -8.680 1.00 0.75 H new ATOM 0 HB2 ALA A 44 -5.880 1.245 -9.356 1.00 0.75 H new ATOM 0 HB3 ALA A 44 -6.500 1.418 -7.697 1.00 0.75 H new ATOM 694 N GLU A 45 -3.095 3.063 -6.267 1.00 0.46 N ATOM 695 CA GLU A 45 -2.858 3.884 -5.086 1.00 0.37 C ATOM 696 C GLU A 45 -3.442 5.281 -5.239 1.00 0.35 C ATOM 697 O GLU A 45 -4.357 5.663 -4.510 1.00 0.39 O ATOM 698 CB GLU A 45 -1.345 3.963 -4.786 1.00 0.48 C ATOM 699 CG GLU A 45 -0.893 5.235 -4.069 1.00 0.57 C ATOM 700 CD GLU A 45 0.476 5.095 -3.431 1.00 0.76 C ATOM 701 OE1 GLU A 45 1.445 4.806 -4.163 1.00 1.21 O ATOM 702 OE2 GLU A 45 0.578 5.279 -2.202 1.00 1.28 O ATOM 0 H GLU A 45 -2.247 2.730 -6.725 1.00 0.46 H new ATOM 0 HA GLU A 45 -3.366 3.409 -4.247 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -1.065 3.103 -4.178 1.00 0.48 H new ATOM 0 HB3 GLU A 45 -0.799 3.880 -5.726 1.00 0.48 H new ATOM 0 HG2 GLU A 45 -0.875 6.061 -4.780 1.00 0.57 H new ATOM 0 HG3 GLU A 45 -1.622 5.492 -3.301 1.00 0.57 H new ATOM 709 N ASP A 46 -2.896 6.045 -6.176 1.00 0.38 N ATOM 710 CA ASP A 46 -3.356 7.407 -6.397 1.00 0.43 C ATOM 711 C ASP A 46 -4.595 7.453 -7.297 1.00 0.45 C ATOM 712 O ASP A 46 -4.858 8.465 -7.944 1.00 0.67 O ATOM 713 CB ASP A 46 -2.230 8.247 -7.009 1.00 0.57 C ATOM 714 CG ASP A 46 -2.618 9.703 -7.190 1.00 1.40 C ATOM 715 OD1 ASP A 46 -2.947 10.358 -6.178 1.00 2.07 O ATOM 716 OD2 ASP A 46 -2.590 10.185 -8.340 1.00 2.14 O ATOM 0 H ASP A 46 -2.139 5.746 -6.791 1.00 0.38 H new ATOM 0 HA ASP A 46 -3.637 7.822 -5.429 1.00 0.43 H new ATOM 0 HB2 ASP A 46 -1.349 8.187 -6.370 1.00 0.57 H new ATOM 0 HB3 ASP A 46 -1.952 7.826 -7.975 1.00 0.57 H new ATOM 721 N VAL A 47 -5.358 6.363 -7.331 1.00 0.35 N ATOM 722 CA VAL A 47 -6.560 6.295 -8.142 1.00 0.41 C ATOM 723 C VAL A 47 -7.788 6.235 -7.252 1.00 0.41 C ATOM 724 O VAL A 47 -8.832 6.807 -7.567 1.00 0.51 O ATOM 725 CB VAL A 47 -6.545 5.046 -9.045 1.00 0.50 C ATOM 726 CG1 VAL A 47 -7.801 4.983 -9.904 1.00 0.59 C ATOM 727 CG2 VAL A 47 -5.296 5.026 -9.911 1.00 0.56 C ATOM 0 H VAL A 47 -5.160 5.514 -6.802 1.00 0.35 H new ATOM 0 HA VAL A 47 -6.592 7.189 -8.765 1.00 0.41 H new ATOM 0 HB VAL A 47 -6.530 4.164 -8.405 1.00 0.50 H new ATOM 0 HG11 VAL A 47 -7.768 4.093 -10.533 1.00 0.59 H new ATOM 0 HG12 VAL A 47 -8.680 4.940 -9.261 1.00 0.59 H new ATOM 0 HG13 VAL A 47 -7.856 5.871 -10.534 1.00 0.59 H new ATOM 0 HG21 VAL A 47 -5.304 4.137 -10.541 1.00 0.56 H new ATOM 0 HG22 VAL A 47 -5.275 5.916 -10.540 1.00 0.56 H new ATOM 0 HG23 VAL A 47 -4.412 5.011 -9.274 1.00 0.56 H new ATOM 737 N ALA A 48 -7.651 5.531 -6.138 1.00 0.38 N ATOM 738 CA ALA A 48 -8.746 5.386 -5.200 1.00 0.44 C ATOM 739 C ALA A 48 -8.642 6.395 -4.075 1.00 0.39 C ATOM 740 O ALA A 48 -9.634 6.711 -3.422 1.00 0.46 O ATOM 741 CB ALA A 48 -8.781 3.978 -4.651 1.00 0.52 C ATOM 0 H ALA A 48 -6.792 5.053 -5.865 1.00 0.38 H new ATOM 0 HA ALA A 48 -9.677 5.578 -5.733 1.00 0.44 H new ATOM 0 HB1 ALA A 48 -9.608 3.882 -3.948 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -8.917 3.272 -5.470 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -7.843 3.764 -4.139 1.00 0.52 H new ATOM 747 N LYS A 49 -7.438 6.891 -3.828 1.00 0.35 N ATOM 748 CA LYS A 49 -7.251 7.854 -2.757 1.00 0.41 C ATOM 749 C LYS A 49 -8.155 9.048 -2.969 1.00 0.43 C ATOM 750 O LYS A 49 -8.841 9.501 -2.064 1.00 0.59 O ATOM 751 CB LYS A 49 -5.776 8.281 -2.651 1.00 0.49 C ATOM 752 CG LYS A 49 -5.318 9.369 -3.620 1.00 1.19 C ATOM 753 CD LYS A 49 -5.637 10.772 -3.111 1.00 1.51 C ATOM 754 CE LYS A 49 -4.991 11.833 -3.986 1.00 1.95 C ATOM 755 NZ LYS A 49 -3.507 11.716 -3.994 1.00 2.65 N ATOM 0 H LYS A 49 -6.592 6.648 -4.344 1.00 0.35 H new ATOM 0 HA LYS A 49 -7.522 7.382 -1.812 1.00 0.41 H new ATOM 0 HB2 LYS A 49 -5.592 8.628 -1.634 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -5.152 7.400 -2.805 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -4.244 9.279 -3.782 1.00 1.19 H new ATOM 0 HG3 LYS A 49 -5.799 9.218 -4.586 1.00 1.19 H new ATOM 0 HD2 LYS A 49 -6.717 10.919 -3.094 1.00 1.51 H new ATOM 0 HD3 LYS A 49 -5.284 10.879 -2.085 1.00 1.51 H new ATOM 0 HE2 LYS A 49 -5.368 11.743 -5.005 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -5.275 12.822 -3.627 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -3.090 12.612 -4.318 1.00 2.65 H new ATOM 0 HZ2 LYS A 49 -3.170 11.505 -3.033 1.00 2.65 H new ATOM 0 HZ3 LYS A 49 -3.223 10.949 -4.637 1.00 2.65 H new ATOM 769 N ASP A 50 -8.174 9.559 -4.172 1.00 0.41 N ATOM 770 CA ASP A 50 -8.999 10.702 -4.453 1.00 0.50 C ATOM 771 C ASP A 50 -10.456 10.388 -4.160 1.00 0.51 C ATOM 772 O ASP A 50 -11.215 11.239 -3.698 1.00 0.68 O ATOM 773 CB ASP A 50 -8.814 11.137 -5.907 1.00 0.58 C ATOM 774 CG ASP A 50 -9.352 12.528 -6.172 1.00 1.27 C ATOM 775 OD1 ASP A 50 -9.888 13.147 -5.229 1.00 1.69 O ATOM 776 OD2 ASP A 50 -9.235 13.001 -7.323 1.00 1.96 O ATOM 0 H ASP A 50 -7.635 9.207 -4.963 1.00 0.41 H new ATOM 0 HA ASP A 50 -8.696 11.526 -3.807 1.00 0.50 H new ATOM 0 HB2 ASP A 50 -7.754 11.107 -6.159 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -9.317 10.426 -6.562 1.00 0.58 H new ATOM 781 N TYR A 51 -10.820 9.153 -4.416 1.00 0.51 N ATOM 782 CA TYR A 51 -12.165 8.676 -4.172 1.00 0.57 C ATOM 783 C TYR A 51 -12.429 8.528 -2.677 1.00 0.52 C ATOM 784 O TYR A 51 -13.451 8.963 -2.159 1.00 0.58 O ATOM 785 CB TYR A 51 -12.315 7.323 -4.832 1.00 0.66 C ATOM 786 CG TYR A 51 -13.494 6.514 -4.327 1.00 0.68 C ATOM 787 CD1 TYR A 51 -14.789 6.880 -4.661 1.00 1.08 C ATOM 788 CD2 TYR A 51 -13.308 5.386 -3.540 1.00 0.72 C ATOM 789 CE1 TYR A 51 -15.872 6.142 -4.223 1.00 1.16 C ATOM 790 CE2 TYR A 51 -14.384 4.642 -3.098 1.00 0.78 C ATOM 791 CZ TYR A 51 -15.640 5.040 -3.359 1.00 0.86 C ATOM 792 OH TYR A 51 -16.739 4.284 -3.005 1.00 0.99 O ATOM 0 H TYR A 51 -10.192 8.448 -4.800 1.00 0.51 H new ATOM 0 HA TYR A 51 -12.877 9.394 -4.579 1.00 0.57 H new ATOM 0 HB2 TYR A 51 -12.420 7.465 -5.908 1.00 0.66 H new ATOM 0 HB3 TYR A 51 -11.401 6.750 -4.674 1.00 0.66 H new ATOM 0 HD1 TYR A 51 -14.954 7.755 -5.273 1.00 1.08 H new ATOM 0 HD2 TYR A 51 -12.307 5.086 -3.269 1.00 0.72 H new ATOM 0 HE1 TYR A 51 -16.875 6.398 -4.532 1.00 1.16 H new ATOM 0 HE2 TYR A 51 -14.215 3.734 -2.539 1.00 0.78 H new ATOM 0 HH TYR A 51 -16.658 3.388 -3.393 1.00 0.99 H new ATOM 802 N GLU A 52 -11.506 7.859 -2.016 1.00 0.49 N ATOM 803 CA GLU A 52 -11.615 7.581 -0.594 1.00 0.58 C ATOM 804 C GLU A 52 -10.997 8.690 0.233 1.00 0.57 C ATOM 805 O GLU A 52 -11.695 9.444 0.913 1.00 0.66 O ATOM 806 CB GLU A 52 -10.925 6.257 -0.313 1.00 0.78 C ATOM 807 CG GLU A 52 -11.792 5.051 -0.566 1.00 1.39 C ATOM 808 CD GLU A 52 -10.993 3.885 -1.107 1.00 2.19 C ATOM 809 OE1 GLU A 52 -9.762 4.018 -1.238 1.00 2.76 O ATOM 810 OE2 GLU A 52 -11.602 2.833 -1.395 1.00 2.81 O ATOM 0 H GLU A 52 -10.658 7.492 -2.448 1.00 0.49 H new ATOM 0 HA GLU A 52 -12.667 7.523 -0.316 1.00 0.58 H new ATOM 0 HB2 GLU A 52 -10.031 6.186 -0.932 1.00 0.78 H new ATOM 0 HB3 GLU A 52 -10.595 6.244 0.726 1.00 0.78 H new ATOM 0 HG2 GLU A 52 -12.283 4.756 0.361 1.00 1.39 H new ATOM 0 HG3 GLU A 52 -12.579 5.312 -1.274 1.00 1.39 H new ATOM 817 N ASP A 53 -9.684 8.803 0.137 1.00 0.57 N ATOM 818 CA ASP A 53 -8.954 9.841 0.836 1.00 0.66 C ATOM 819 C ASP A 53 -9.575 11.211 0.541 1.00 0.78 C ATOM 820 O ASP A 53 -9.429 12.152 1.321 1.00 0.99 O ATOM 821 CB ASP A 53 -7.471 9.798 0.420 1.00 0.69 C ATOM 822 CG ASP A 53 -6.697 11.030 0.847 1.00 1.27 C ATOM 823 OD1 ASP A 53 -6.628 11.294 2.067 1.00 2.12 O ATOM 824 OD2 ASP A 53 -6.159 11.729 -0.036 1.00 1.61 O ATOM 0 H ASP A 53 -9.100 8.183 -0.423 1.00 0.57 H new ATOM 0 HA ASP A 53 -9.015 9.671 1.911 1.00 0.66 H new ATOM 0 HB2 ASP A 53 -7.004 8.914 0.854 1.00 0.69 H new ATOM 0 HB3 ASP A 53 -7.407 9.693 -0.663 1.00 0.69 H new ATOM 829 N GLY A 54 -10.260 11.311 -0.601 1.00 0.76 N ATOM 830 CA GLY A 54 -10.887 12.562 -0.992 1.00 0.99 C ATOM 831 C GLY A 54 -12.331 12.715 -0.525 1.00 1.06 C ATOM 832 O GLY A 54 -12.726 13.802 -0.101 1.00 1.27 O ATOM 0 H GLY A 54 -10.390 10.545 -1.261 1.00 0.76 H new ATOM 0 HA2 GLY A 54 -10.299 13.389 -0.594 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -10.858 12.645 -2.078 1.00 0.99 H new ATOM 836 N LEU A 55 -13.136 11.649 -0.611 1.00 0.96 N ATOM 837 CA LEU A 55 -14.537 11.730 -0.197 1.00 1.08 C ATOM 838 C LEU A 55 -14.735 11.110 1.169 1.00 1.17 C ATOM 839 O LEU A 55 -15.113 11.783 2.127 1.00 1.46 O ATOM 840 CB LEU A 55 -15.431 11.037 -1.226 1.00 1.14 C ATOM 841 CG LEU A 55 -15.468 11.698 -2.608 1.00 1.50 C ATOM 842 CD1 LEU A 55 -14.073 11.803 -3.209 1.00 2.32 C ATOM 843 CD2 LEU A 55 -16.394 10.928 -3.537 1.00 2.04 C ATOM 0 H LEU A 55 -12.845 10.735 -0.958 1.00 0.96 H new ATOM 0 HA LEU A 55 -14.814 12.782 -0.136 1.00 1.08 H new ATOM 0 HB2 LEU A 55 -15.093 10.007 -1.342 1.00 1.14 H new ATOM 0 HB3 LEU A 55 -16.447 10.997 -0.833 1.00 1.14 H new ATOM 0 HG LEU A 55 -15.854 12.710 -2.487 1.00 1.50 H new ATOM 0 HD11 LEU A 55 -14.134 12.276 -4.189 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -13.439 12.402 -2.555 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -13.646 10.806 -3.314 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -16.410 11.409 -4.515 1.00 2.04 H new ATOM 0 HD22 LEU A 55 -16.035 9.904 -3.642 1.00 2.04 H new ATOM 0 HD23 LEU A 55 -17.401 10.918 -3.121 1.00 2.04 H new ATOM 855 N GLU A 56 -14.474 9.824 1.242 1.00 1.14 N ATOM 856 CA GLU A 56 -14.619 9.079 2.474 1.00 1.35 C ATOM 857 C GLU A 56 -13.358 9.164 3.334 1.00 1.40 C ATOM 858 O GLU A 56 -12.828 8.142 3.770 1.00 1.53 O ATOM 859 CB GLU A 56 -14.917 7.634 2.131 1.00 1.50 C ATOM 860 CG GLU A 56 -16.171 7.453 1.292 1.00 2.03 C ATOM 861 CD GLU A 56 -15.882 6.966 -0.116 1.00 2.47 C ATOM 862 OE1 GLU A 56 -14.694 6.760 -0.439 1.00 2.88 O ATOM 863 OE2 GLU A 56 -16.840 6.798 -0.900 1.00 2.96 O ATOM 0 H GLU A 56 -14.156 9.265 0.450 1.00 1.14 H new ATOM 0 HA GLU A 56 -15.437 9.509 3.052 1.00 1.35 H new ATOM 0 HB2 GLU A 56 -14.067 7.214 1.593 1.00 1.50 H new ATOM 0 HB3 GLU A 56 -15.023 7.065 3.054 1.00 1.50 H new ATOM 0 HG2 GLU A 56 -16.832 6.742 1.787 1.00 2.03 H new ATOM 0 HG3 GLU A 56 -16.705 8.402 1.239 1.00 2.03 H new ATOM 870 N TYR A 57 -12.879 10.380 3.571 1.00 1.40 N ATOM 871 CA TYR A 57 -11.678 10.584 4.377 1.00 1.54 C ATOM 872 C TYR A 57 -11.820 9.936 5.749 1.00 1.86 C ATOM 873 O TYR A 57 -11.685 8.695 5.836 1.00 2.28 O ATOM 874 CB TYR A 57 -11.389 12.077 4.537 1.00 1.67 C ATOM 875 CG TYR A 57 -10.236 12.374 5.470 1.00 2.04 C ATOM 876 CD1 TYR A 57 -9.129 11.538 5.529 1.00 2.75 C ATOM 877 CD2 TYR A 57 -10.256 13.495 6.292 1.00 2.29 C ATOM 878 CE1 TYR A 57 -8.075 11.807 6.378 1.00 3.60 C ATOM 879 CE2 TYR A 57 -9.203 13.772 7.145 1.00 3.06 C ATOM 880 CZ TYR A 57 -8.116 12.925 7.185 1.00 3.70 C ATOM 881 OH TYR A 57 -7.068 13.197 8.033 1.00 4.67 O ATOM 882 OXT TYR A 57 -12.056 10.672 6.729 1.00 2.26 O ATOM 0 H TYR A 57 -13.302 11.239 3.218 1.00 1.40 H new ATOM 0 HA TYR A 57 -10.844 10.112 3.857 1.00 1.54 H new ATOM 0 HB2 TYR A 57 -11.172 12.504 3.558 1.00 1.67 H new ATOM 0 HB3 TYR A 57 -12.285 12.574 4.910 1.00 1.67 H new ATOM 0 HD1 TYR A 57 -9.092 10.661 4.899 1.00 2.75 H new ATOM 0 HD2 TYR A 57 -11.107 14.160 6.264 1.00 2.29 H new ATOM 0 HE1 TYR A 57 -7.222 11.145 6.411 1.00 3.60 H new ATOM 0 HE2 TYR A 57 -9.232 14.648 7.777 1.00 3.06 H new ATOM 0 HH TYR A 57 -7.255 14.021 8.530 1.00 4.67 H new TER 892 TYR A 57