USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 675 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 73 GLN : amide:sc= 0.211 X(o=0.21,f=0) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.181 K(o=0.043,f=-9.3!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.224 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.904 USER MOD Set 3.2: A 27 SER OG : rot 50:sc= 1.13 USER MOD Single : A 4 THR OG1 : rot 147:sc= 0.276 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 80:sc= 0.755 USER MOD Single : A 16 CYS SG : rot 113:sc= -0.872 USER MOD Single : A 22 THR OG1 : rot 0:sc= -0.634 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 82:sc= 0.625 USER MOD Single : A 62 GLN : amide:sc= 0.0931 X(o=0.093,f=-0.019) USER MOD Single : A 65 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.65) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.154 (180deg=-0.565) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.434 K(o=-0.43,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.647 10.980 3.447 1.00 0.00 N ATOM 46 CA THR A 4 0.804 9.783 2.602 1.00 0.00 C ATOM 47 C THR A 4 -0.276 8.722 2.931 1.00 0.00 C ATOM 48 O THR A 4 -0.775 8.052 2.030 1.00 0.00 O ATOM 49 CB THR A 4 2.235 9.180 2.755 1.00 0.00 C ATOM 50 OG1 THR A 4 3.216 10.203 2.491 1.00 0.00 O ATOM 51 CG2 THR A 4 2.476 7.985 1.810 1.00 0.00 C ATOM 0 HA THR A 4 0.671 10.087 1.564 1.00 0.00 H new ATOM 0 HB THR A 4 2.327 8.813 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.009 10.046 3.044 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.486 7.603 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.755 7.197 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.357 8.309 0.776 1.00 0.00 H new ATOM 59 N PHE A 5 -0.682 8.656 4.220 1.00 0.00 N ATOM 60 CA PHE A 5 -1.744 7.733 4.669 1.00 0.00 C ATOM 61 C PHE A 5 -3.102 8.096 4.045 1.00 0.00 C ATOM 62 O PHE A 5 -3.841 7.208 3.638 1.00 0.00 O ATOM 63 CB PHE A 5 -1.871 7.696 6.222 1.00 0.00 C ATOM 64 CG PHE A 5 -3.056 6.842 6.713 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.045 5.454 6.558 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.201 7.428 7.270 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.134 4.688 6.938 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.283 6.654 7.659 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.250 5.287 7.487 1.00 0.00 C ATOM 0 H PHE A 5 -0.289 9.231 4.965 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.453 6.739 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.947 7.303 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.985 8.714 6.595 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.176 4.972 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.241 8.500 7.398 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.110 3.617 6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.152 7.122 8.097 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.097 4.685 7.782 1.00 0.00 H new ATOM 79 N ASP A 6 -3.407 9.402 3.984 1.00 0.00 N ATOM 80 CA ASP A 6 -4.697 9.912 3.455 1.00 0.00 C ATOM 81 C ASP A 6 -4.904 9.481 1.996 1.00 0.00 C ATOM 82 O ASP A 6 -6.006 9.071 1.588 1.00 0.00 O ATOM 83 CB ASP A 6 -4.732 11.456 3.538 1.00 0.00 C ATOM 84 CG ASP A 6 -6.126 12.050 3.266 1.00 0.00 C ATOM 85 OD1 ASP A 6 -6.942 12.089 4.203 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.412 12.456 2.121 1.00 0.00 O ATOM 0 H ASP A 6 -2.774 10.138 4.297 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.498 9.491 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.399 11.767 4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.023 11.868 2.820 1.00 0.00 H new ATOM 91 N ARG A 7 -3.809 9.589 1.236 1.00 0.00 N ATOM 92 CA ARG A 7 -3.767 9.245 -0.184 1.00 0.00 C ATOM 93 C ARG A 7 -3.849 7.713 -0.395 1.00 0.00 C ATOM 94 O ARG A 7 -4.601 7.257 -1.248 1.00 0.00 O ATOM 95 CB ARG A 7 -2.490 9.830 -0.821 1.00 0.00 C ATOM 96 CG ARG A 7 -2.378 11.367 -0.749 1.00 0.00 C ATOM 97 CD ARG A 7 -3.454 12.088 -1.582 1.00 0.00 C ATOM 98 NE ARG A 7 -3.365 13.557 -1.415 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.768 14.478 -2.299 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.343 14.138 -3.443 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.607 15.762 -2.014 1.00 0.00 N ATOM 0 H ARG A 7 -2.916 9.923 1.598 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.636 9.681 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.622 9.393 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.450 9.525 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.459 11.683 0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.391 11.671 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.336 11.831 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.443 11.744 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.958 13.899 -0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.488 13.154 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.641 14.860 -4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.180 16.039 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.910 16.474 -2.679 1.00 0.00 H new ATOM 115 N VAL A 8 -3.083 6.925 0.399 1.00 0.00 N ATOM 116 CA VAL A 8 -3.171 5.437 0.386 1.00 0.00 C ATOM 117 C VAL A 8 -4.612 4.976 0.710 1.00 0.00 C ATOM 118 O VAL A 8 -5.158 4.076 0.065 1.00 0.00 O ATOM 119 CB VAL A 8 -2.164 4.781 1.415 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.369 3.249 1.544 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.700 5.095 1.035 1.00 0.00 C ATOM 0 H VAL A 8 -2.396 7.292 1.058 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.899 5.107 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.378 5.223 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.655 2.845 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.383 3.045 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.214 2.778 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.029 4.632 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.489 4.700 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.547 6.174 1.037 1.00 0.00 H new ATOM 131 N ALA A 9 -5.209 5.655 1.699 1.00 0.00 N ATOM 132 CA ALA A 9 -6.556 5.361 2.198 1.00 0.00 C ATOM 133 C ALA A 9 -7.618 5.594 1.107 1.00 0.00 C ATOM 134 O ALA A 9 -8.545 4.796 0.980 1.00 0.00 O ATOM 135 CB ALA A 9 -6.854 6.200 3.453 1.00 0.00 C ATOM 0 H ALA A 9 -4.762 6.435 2.181 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.598 4.307 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.857 5.972 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.127 5.963 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.789 7.260 3.206 1.00 0.00 H new ATOM 141 N THR A 10 -7.476 6.682 0.309 1.00 0.00 N ATOM 142 CA THR A 10 -8.424 6.979 -0.789 1.00 0.00 C ATOM 143 C THR A 10 -8.194 6.051 -1.997 1.00 0.00 C ATOM 144 O THR A 10 -9.143 5.744 -2.720 1.00 0.00 O ATOM 145 CB THR A 10 -8.399 8.488 -1.239 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.565 8.785 -2.035 1.00 0.00 O ATOM 147 CG2 THR A 10 -7.142 8.874 -2.040 1.00 0.00 C ATOM 0 H THR A 10 -6.721 7.361 0.405 1.00 0.00 H new ATOM 0 HA THR A 10 -9.418 6.787 -0.384 1.00 0.00 H new ATOM 0 HB THR A 10 -8.390 9.074 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.543 9.725 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.195 9.927 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.255 8.703 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.085 8.266 -2.943 1.00 0.00 H new ATOM 155 N ILE A 11 -6.930 5.608 -2.208 1.00 0.00 N ATOM 156 CA ILE A 11 -6.583 4.646 -3.276 1.00 0.00 C ATOM 157 C ILE A 11 -7.325 3.328 -3.037 1.00 0.00 C ATOM 158 O ILE A 11 -8.027 2.837 -3.909 1.00 0.00 O ATOM 159 CB ILE A 11 -5.021 4.377 -3.361 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.254 5.646 -3.860 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.689 3.140 -4.244 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.671 6.143 -5.229 1.00 0.00 C ATOM 0 H ILE A 11 -6.132 5.906 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.888 5.083 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.681 4.152 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.400 6.449 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.187 5.424 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.609 2.994 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.164 2.254 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.061 3.305 -5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.086 7.025 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.498 5.361 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.730 6.402 -5.215 1.00 0.00 H new ATOM 174 N ILE A 12 -7.176 2.790 -1.829 1.00 0.00 N ATOM 175 CA ILE A 12 -7.783 1.513 -1.439 1.00 0.00 C ATOM 176 C ILE A 12 -9.322 1.646 -1.318 1.00 0.00 C ATOM 177 O ILE A 12 -10.056 0.697 -1.622 1.00 0.00 O ATOM 178 CB ILE A 12 -7.113 0.994 -0.116 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.577 0.801 -0.369 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.765 -0.304 0.412 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.792 0.225 0.785 1.00 0.00 C ATOM 0 H ILE A 12 -6.629 3.227 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.601 0.770 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.267 1.740 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.449 0.149 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.146 1.767 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.263 -0.617 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.819 -0.123 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.673 -1.089 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.743 0.134 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.879 0.884 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.186 -0.759 1.038 1.00 0.00 H new ATOM 193 N ALA A 13 -9.801 2.842 -0.914 1.00 0.00 N ATOM 194 CA ALA A 13 -11.239 3.168 -0.855 1.00 0.00 C ATOM 195 C ALA A 13 -11.896 3.072 -2.248 1.00 0.00 C ATOM 196 O ALA A 13 -12.916 2.411 -2.408 1.00 0.00 O ATOM 197 CB ALA A 13 -11.462 4.571 -0.253 1.00 0.00 C ATOM 0 H ALA A 13 -9.198 3.610 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.714 2.432 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.530 4.787 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.054 4.602 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.960 5.316 -0.870 1.00 0.00 H new ATOM 203 N GLU A 14 -11.300 3.740 -3.244 1.00 0.00 N ATOM 204 CA GLU A 14 -11.845 3.808 -4.610 1.00 0.00 C ATOM 205 C GLU A 14 -11.599 2.513 -5.412 1.00 0.00 C ATOM 206 O GLU A 14 -12.553 1.920 -5.938 1.00 0.00 O ATOM 207 CB GLU A 14 -11.267 5.049 -5.340 1.00 0.00 C ATOM 208 CG GLU A 14 -11.691 6.400 -4.721 1.00 0.00 C ATOM 209 CD GLU A 14 -13.214 6.602 -4.723 1.00 0.00 C ATOM 210 OE1 GLU A 14 -13.768 7.018 -5.761 1.00 0.00 O ATOM 211 OE2 GLU A 14 -13.876 6.318 -3.698 1.00 0.00 O ATOM 0 H GLU A 14 -10.425 4.250 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.928 3.911 -4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.179 4.985 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.584 5.024 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.323 6.457 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.220 7.212 -5.275 1.00 0.00 H new ATOM 218 N THR A 15 -10.330 2.081 -5.485 1.00 0.00 N ATOM 219 CA THR A 15 -9.895 0.941 -6.324 1.00 0.00 C ATOM 220 C THR A 15 -10.549 -0.379 -5.860 1.00 0.00 C ATOM 221 O THR A 15 -11.157 -1.101 -6.663 1.00 0.00 O ATOM 222 CB THR A 15 -8.331 0.793 -6.305 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.715 2.057 -6.598 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.825 -0.247 -7.316 1.00 0.00 C ATOM 0 H THR A 15 -9.568 2.512 -4.962 1.00 0.00 H new ATOM 0 HA THR A 15 -10.218 1.149 -7.344 1.00 0.00 H new ATOM 0 HB THR A 15 -8.060 0.453 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.708 2.612 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.738 -0.309 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.256 -1.221 -7.083 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.121 0.050 -8.322 1.00 0.00 H new ATOM 232 N CYS A 16 -10.434 -0.667 -4.552 1.00 0.00 N ATOM 233 CA CYS A 16 -10.971 -1.892 -3.940 1.00 0.00 C ATOM 234 C CYS A 16 -12.421 -1.695 -3.437 1.00 0.00 C ATOM 235 O CYS A 16 -13.002 -2.615 -2.856 1.00 0.00 O ATOM 236 CB CYS A 16 -10.033 -2.340 -2.790 1.00 0.00 C ATOM 237 SG CYS A 16 -10.475 -3.910 -2.008 1.00 0.00 S ATOM 0 H CYS A 16 -9.963 -0.053 -3.888 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.010 -2.674 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.018 -2.419 -3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.022 -1.562 -2.027 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.558 -4.795 -2.263 1.00 0.00 H new ATOM 243 N ASP A 17 -12.994 -0.481 -3.663 1.00 0.00 N ATOM 244 CA ASP A 17 -14.408 -0.141 -3.317 1.00 0.00 C ATOM 245 C ASP A 17 -14.684 -0.215 -1.802 1.00 0.00 C ATOM 246 O ASP A 17 -15.843 -0.300 -1.383 1.00 0.00 O ATOM 247 CB ASP A 17 -15.417 -1.017 -4.116 1.00 0.00 C ATOM 248 CG ASP A 17 -15.330 -0.774 -5.632 1.00 0.00 C ATOM 249 OD1 ASP A 17 -14.480 -1.403 -6.299 1.00 0.00 O ATOM 250 OD2 ASP A 17 -16.113 0.042 -6.163 1.00 0.00 O ATOM 0 H ASP A 17 -12.488 0.294 -4.092 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.555 0.898 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.225 -2.070 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.430 -0.804 -3.774 1.00 0.00 H new ATOM 255 N ILE A 18 -13.617 -0.113 -0.994 1.00 0.00 N ATOM 256 CA ILE A 18 -13.705 -0.243 0.472 1.00 0.00 C ATOM 257 C ILE A 18 -14.255 1.061 1.104 1.00 0.00 C ATOM 258 O ILE A 18 -13.818 2.155 0.729 1.00 0.00 O ATOM 259 CB ILE A 18 -12.296 -0.621 1.085 1.00 0.00 C ATOM 260 CG1 ILE A 18 -11.859 -2.034 0.575 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.290 -0.558 2.638 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.554 -2.564 1.156 1.00 0.00 C ATOM 0 H ILE A 18 -12.672 0.061 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.400 -1.050 0.705 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.574 0.121 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.653 -2.745 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.765 -1.997 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.301 -0.826 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.538 0.453 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.027 -1.257 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.343 -3.548 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.741 -1.882 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.643 -2.642 2.240 1.00 0.00 H new ATOM 274 N PRO A 19 -15.263 0.963 2.041 1.00 0.00 N ATOM 275 CA PRO A 19 -15.729 2.112 2.845 1.00 0.00 C ATOM 276 C PRO A 19 -14.574 2.801 3.619 1.00 0.00 C ATOM 277 O PRO A 19 -13.870 2.168 4.415 1.00 0.00 O ATOM 278 CB PRO A 19 -16.795 1.494 3.805 1.00 0.00 C ATOM 279 CG PRO A 19 -16.603 0.007 3.715 1.00 0.00 C ATOM 280 CD PRO A 19 -16.071 -0.254 2.330 1.00 0.00 C ATOM 0 HA PRO A 19 -16.141 2.908 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.654 1.847 4.827 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.804 1.778 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.905 -0.344 4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.543 -0.519 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.463 -1.158 2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.876 -0.384 1.607 1.00 0.00 H new ATOM 288 N ARG A 20 -14.405 4.108 3.353 1.00 0.00 N ATOM 289 CA ARG A 20 -13.385 4.975 3.978 1.00 0.00 C ATOM 290 C ARG A 20 -13.590 5.072 5.512 1.00 0.00 C ATOM 291 O ARG A 20 -12.623 5.216 6.273 1.00 0.00 O ATOM 292 CB ARG A 20 -13.451 6.386 3.312 1.00 0.00 C ATOM 293 CG ARG A 20 -12.452 7.434 3.850 1.00 0.00 C ATOM 294 CD ARG A 20 -10.981 7.069 3.602 1.00 0.00 C ATOM 295 NE ARG A 20 -10.089 8.080 4.200 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.214 8.850 3.535 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.054 8.742 2.221 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.502 9.738 4.199 1.00 0.00 N ATOM 0 H ARG A 20 -14.988 4.606 2.680 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.398 4.542 3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.284 6.269 2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.461 6.778 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.662 8.396 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.611 7.558 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.767 6.089 4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.794 6.998 2.531 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.142 8.205 5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.603 8.062 1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.382 9.339 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.619 9.834 5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.834 10.329 3.704 1.00 0.00 H new ATOM 312 N GLU A 21 -14.862 4.958 5.939 1.00 0.00 N ATOM 313 CA GLU A 21 -15.275 5.014 7.363 1.00 0.00 C ATOM 314 C GLU A 21 -14.682 3.851 8.194 1.00 0.00 C ATOM 315 O GLU A 21 -14.457 3.988 9.404 1.00 0.00 O ATOM 316 CB GLU A 21 -16.824 5.003 7.441 1.00 0.00 C ATOM 317 CG GLU A 21 -17.485 3.733 6.859 1.00 0.00 C ATOM 318 CD GLU A 21 -19.010 3.828 6.764 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.511 4.480 5.821 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.718 3.266 7.626 1.00 0.00 O ATOM 0 H GLU A 21 -15.645 4.823 5.300 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.885 5.936 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.124 5.108 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.208 5.874 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.078 3.544 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.220 2.878 7.480 1.00 0.00 H new ATOM 327 N THR A 22 -14.434 2.707 7.531 1.00 0.00 N ATOM 328 CA THR A 22 -13.896 1.494 8.168 1.00 0.00 C ATOM 329 C THR A 22 -12.380 1.350 7.914 1.00 0.00 C ATOM 330 O THR A 22 -11.752 0.413 8.420 1.00 0.00 O ATOM 331 CB THR A 22 -14.665 0.237 7.642 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.656 0.237 6.212 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.125 0.197 8.121 1.00 0.00 C ATOM 0 H THR A 22 -14.603 2.599 6.531 1.00 0.00 H new ATOM 0 HA THR A 22 -14.040 1.578 9.245 1.00 0.00 H new ATOM 0 HB THR A 22 -14.155 -0.640 8.039 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.168 1.022 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.613 -0.695 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.150 0.174 9.210 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.649 1.084 7.765 1.00 0.00 H new ATOM 341 N ILE A 23 -11.795 2.286 7.139 1.00 0.00 N ATOM 342 CA ILE A 23 -10.344 2.316 6.869 1.00 0.00 C ATOM 343 C ILE A 23 -9.608 2.992 8.042 1.00 0.00 C ATOM 344 O ILE A 23 -9.791 4.190 8.293 1.00 0.00 O ATOM 345 CB ILE A 23 -10.034 3.063 5.506 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.504 2.191 4.296 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.537 3.460 5.379 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.280 2.801 2.923 1.00 0.00 C ATOM 0 H ILE A 23 -12.313 3.039 6.685 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.987 1.291 6.772 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.598 3.996 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.985 1.233 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.568 1.983 4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.375 3.969 4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.267 4.126 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.918 2.564 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.641 2.115 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.822 3.744 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.216 2.983 2.775 1.00 0.00 H new ATOM 360 N THR A 24 -8.792 2.205 8.762 1.00 0.00 N ATOM 361 CA THR A 24 -7.955 2.682 9.877 1.00 0.00 C ATOM 362 C THR A 24 -6.468 2.413 9.541 1.00 0.00 C ATOM 363 O THR A 24 -6.187 1.578 8.670 1.00 0.00 O ATOM 364 CB THR A 24 -8.355 1.966 11.221 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.145 0.553 11.126 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.822 2.233 11.601 1.00 0.00 C ATOM 0 H THR A 24 -8.693 1.206 8.584 1.00 0.00 H new ATOM 0 HA THR A 24 -8.111 3.752 10.012 1.00 0.00 H new ATOM 0 HB THR A 24 -7.715 2.381 12.000 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.398 0.127 11.972 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.055 1.720 12.534 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.976 3.305 11.727 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.476 1.863 10.811 1.00 0.00 H new ATOM 374 N PRO A 25 -5.482 3.108 10.205 1.00 0.00 N ATOM 375 CA PRO A 25 -4.033 2.805 10.026 1.00 0.00 C ATOM 376 C PRO A 25 -3.687 1.370 10.479 1.00 0.00 C ATOM 377 O PRO A 25 -2.744 0.758 9.977 1.00 0.00 O ATOM 378 CB PRO A 25 -3.323 3.881 10.902 1.00 0.00 C ATOM 379 CG PRO A 25 -4.365 4.315 11.888 1.00 0.00 C ATOM 380 CD PRO A 25 -5.676 4.251 11.140 1.00 0.00 C ATOM 0 HA PRO A 25 -3.720 2.843 8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.449 3.468 11.405 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.977 4.719 10.297 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.378 3.661 12.760 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.168 5.324 12.250 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.516 4.081 11.814 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.879 5.178 10.605 1.00 0.00 H new ATOM 388 N GLU A 26 -4.505 0.837 11.402 1.00 0.00 N ATOM 389 CA GLU A 26 -4.304 -0.485 12.012 1.00 0.00 C ATOM 390 C GLU A 26 -4.834 -1.619 11.099 1.00 0.00 C ATOM 391 O GLU A 26 -4.551 -2.789 11.349 1.00 0.00 O ATOM 392 CB GLU A 26 -5.015 -0.522 13.388 1.00 0.00 C ATOM 393 CG GLU A 26 -4.678 0.663 14.315 1.00 0.00 C ATOM 394 CD GLU A 26 -5.407 0.597 15.669 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.655 0.687 15.683 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.743 0.463 16.722 1.00 0.00 O ATOM 0 H GLU A 26 -5.334 1.319 11.749 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.235 -0.649 12.144 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.093 -0.544 13.225 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.750 -1.450 13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.602 0.686 14.489 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.940 1.595 13.813 1.00 0.00 H new ATOM 403 N SER A 27 -5.617 -1.257 10.061 1.00 0.00 N ATOM 404 CA SER A 27 -6.166 -2.215 9.083 1.00 0.00 C ATOM 405 C SER A 27 -5.047 -2.886 8.254 1.00 0.00 C ATOM 406 O SER A 27 -4.356 -2.219 7.492 1.00 0.00 O ATOM 407 CB SER A 27 -7.156 -1.496 8.135 1.00 0.00 C ATOM 408 OG SER A 27 -8.266 -0.971 8.841 1.00 0.00 O ATOM 0 H SER A 27 -5.886 -0.290 9.879 1.00 0.00 H new ATOM 0 HA SER A 27 -6.689 -2.993 9.639 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.641 -0.689 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.505 -2.195 7.375 1.00 0.00 H new ATOM 0 HG SER A 27 -7.949 -0.453 9.610 1.00 0.00 H new ATOM 414 N HIS A 28 -4.842 -4.199 8.451 1.00 0.00 N ATOM 415 CA HIS A 28 -3.994 -5.020 7.563 1.00 0.00 C ATOM 416 C HIS A 28 -4.787 -5.320 6.279 1.00 0.00 C ATOM 417 O HIS A 28 -5.923 -5.767 6.370 1.00 0.00 O ATOM 418 CB HIS A 28 -3.591 -6.336 8.270 1.00 0.00 C ATOM 419 CG HIS A 28 -2.528 -7.136 7.550 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.778 -7.788 6.373 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.245 -7.363 7.903 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.644 -8.383 6.045 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.692 -8.154 6.945 1.00 0.00 N ATOM 0 H HIS A 28 -5.255 -4.721 9.224 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.080 -4.480 7.316 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.233 -6.100 9.272 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.479 -6.958 8.386 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.749 -6.986 8.785 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.508 -8.981 5.156 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.266 -8.503 6.921 1.00 0.00 H new ATOM 431 N ALA A 29 -4.209 -5.032 5.099 1.00 0.00 N ATOM 432 CA ALA A 29 -4.875 -5.271 3.798 1.00 0.00 C ATOM 433 C ALA A 29 -5.429 -6.709 3.678 1.00 0.00 C ATOM 434 O ALA A 29 -6.608 -6.895 3.401 1.00 0.00 O ATOM 435 CB ALA A 29 -3.933 -4.943 2.626 1.00 0.00 C ATOM 0 H ALA A 29 -3.275 -4.630 5.016 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.729 -4.596 3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.448 -5.127 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.637 -3.895 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.046 -5.574 2.685 1.00 0.00 H new ATOM 441 N ILE A 30 -4.595 -7.714 3.969 1.00 0.00 N ATOM 442 CA ILE A 30 -4.985 -9.134 3.840 1.00 0.00 C ATOM 443 C ILE A 30 -5.886 -9.577 5.017 1.00 0.00 C ATOM 444 O ILE A 30 -7.003 -10.060 4.809 1.00 0.00 O ATOM 445 CB ILE A 30 -3.720 -10.068 3.746 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.835 -9.672 2.518 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.110 -11.568 3.696 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.542 -10.464 2.375 1.00 0.00 C ATOM 0 H ILE A 30 -3.639 -7.575 4.298 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.553 -9.229 2.915 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.134 -9.923 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.423 -9.798 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.588 -8.613 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.208 -12.177 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.661 -11.831 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.735 -11.752 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.998 -10.117 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.927 -10.319 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.774 -11.523 2.264 1.00 0.00 H new ATOM 460 N ASP A 31 -5.385 -9.376 6.245 1.00 0.00 N ATOM 461 CA ASP A 31 -6.003 -9.919 7.479 1.00 0.00 C ATOM 462 C ASP A 31 -7.327 -9.211 7.841 1.00 0.00 C ATOM 463 O ASP A 31 -8.306 -9.867 8.215 1.00 0.00 O ATOM 464 CB ASP A 31 -4.993 -9.812 8.656 1.00 0.00 C ATOM 465 CG ASP A 31 -5.572 -10.255 10.018 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.727 -11.470 10.236 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.886 -9.385 10.866 1.00 0.00 O ATOM 0 H ASP A 31 -4.539 -8.833 6.418 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.248 -10.965 7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.118 -10.421 8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.651 -8.780 8.736 1.00 0.00 H new ATOM 472 N ASP A 32 -7.335 -7.879 7.732 1.00 0.00 N ATOM 473 CA ASP A 32 -8.464 -7.035 8.183 1.00 0.00 C ATOM 474 C ASP A 32 -9.407 -6.685 7.011 1.00 0.00 C ATOM 475 O ASP A 32 -10.612 -6.961 7.073 1.00 0.00 O ATOM 476 CB ASP A 32 -7.904 -5.750 8.844 1.00 0.00 C ATOM 477 CG ASP A 32 -8.982 -4.874 9.497 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.379 -5.173 10.640 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.429 -3.879 8.881 1.00 0.00 O ATOM 0 H ASP A 32 -6.563 -7.348 7.330 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.052 -7.591 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.169 -6.030 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.379 -5.163 8.090 1.00 0.00 H new ATOM 484 N LEU A 33 -8.842 -6.087 5.944 1.00 0.00 N ATOM 485 CA LEU A 33 -9.619 -5.590 4.785 1.00 0.00 C ATOM 486 C LEU A 33 -10.074 -6.746 3.868 1.00 0.00 C ATOM 487 O LEU A 33 -11.054 -6.600 3.133 1.00 0.00 O ATOM 488 CB LEU A 33 -8.785 -4.561 3.973 1.00 0.00 C ATOM 489 CG LEU A 33 -8.279 -3.304 4.752 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.438 -2.388 3.842 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.448 -2.522 5.388 1.00 0.00 C ATOM 0 H LEU A 33 -7.837 -5.934 5.859 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.511 -5.099 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.919 -5.076 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.388 -4.221 3.131 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.640 -3.659 5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.100 -1.522 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.574 -2.939 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.045 -2.055 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.058 -1.655 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.132 -2.190 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.981 -3.168 6.086 1.00 0.00 H new ATOM 503 N GLY A 34 -9.348 -7.881 3.908 1.00 0.00 N ATOM 504 CA GLY A 34 -9.691 -9.067 3.100 1.00 0.00 C ATOM 505 C GLY A 34 -9.094 -9.050 1.697 1.00 0.00 C ATOM 506 O GLY A 34 -9.397 -9.934 0.887 1.00 0.00 O ATOM 0 H GLY A 34 -8.520 -8.001 4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.347 -9.961 3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.776 -9.141 3.022 1.00 0.00 H new ATOM 510 N ILE A 35 -8.248 -8.047 1.420 1.00 0.00 N ATOM 511 CA ILE A 35 -7.560 -7.870 0.124 1.00 0.00 C ATOM 512 C ILE A 35 -6.583 -9.033 -0.141 1.00 0.00 C ATOM 513 O ILE A 35 -5.767 -9.381 0.718 1.00 0.00 O ATOM 514 CB ILE A 35 -6.767 -6.508 0.097 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.734 -5.300 0.293 1.00 0.00 C ATOM 516 CG2 ILE A 35 -5.934 -6.344 -1.203 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.042 -3.961 0.469 1.00 0.00 C ATOM 0 H ILE A 35 -8.016 -7.322 2.099 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.321 -7.859 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.064 -6.527 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.399 -5.240 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.359 -5.489 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.404 -5.392 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.213 -7.158 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.599 -6.367 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.790 -3.179 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.398 -3.997 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.440 -3.744 -0.413 1.00 0.00 H new ATOM 529 N ASP A 36 -6.686 -9.616 -1.337 1.00 0.00 N ATOM 530 CA ASP A 36 -5.769 -10.656 -1.828 1.00 0.00 C ATOM 531 C ASP A 36 -4.706 -9.998 -2.730 1.00 0.00 C ATOM 532 O ASP A 36 -4.890 -8.861 -3.178 1.00 0.00 O ATOM 533 CB ASP A 36 -6.579 -11.735 -2.607 1.00 0.00 C ATOM 534 CG ASP A 36 -5.708 -12.853 -3.200 1.00 0.00 C ATOM 535 OD1 ASP A 36 -5.242 -13.721 -2.446 1.00 0.00 O ATOM 536 OD2 ASP A 36 -5.455 -12.845 -4.419 1.00 0.00 O ATOM 0 H ASP A 36 -7.419 -9.378 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.266 -11.146 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.316 -12.178 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.131 -11.251 -3.413 1.00 0.00 H new ATOM 541 N SER A 37 -3.598 -10.721 -2.970 1.00 0.00 N ATOM 542 CA SER A 37 -2.508 -10.332 -3.888 1.00 0.00 C ATOM 543 C SER A 37 -3.009 -9.827 -5.263 1.00 0.00 C ATOM 544 O SER A 37 -2.427 -8.899 -5.821 1.00 0.00 O ATOM 545 CB SER A 37 -1.574 -11.543 -4.089 1.00 0.00 C ATOM 546 OG SER A 37 -2.299 -12.678 -4.548 1.00 0.00 O ATOM 0 H SER A 37 -3.429 -11.620 -2.518 1.00 0.00 H new ATOM 0 HA SER A 37 -1.980 -9.496 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.795 -11.290 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.075 -11.782 -3.150 1.00 0.00 H new ATOM 0 HG SER A 37 -1.684 -13.432 -4.669 1.00 0.00 H new ATOM 552 N LEU A 38 -4.127 -10.400 -5.764 1.00 0.00 N ATOM 553 CA LEU A 38 -4.679 -10.091 -7.101 1.00 0.00 C ATOM 554 C LEU A 38 -5.427 -8.753 -7.087 1.00 0.00 C ATOM 555 O LEU A 38 -5.389 -7.992 -8.062 1.00 0.00 O ATOM 556 CB LEU A 38 -5.617 -11.228 -7.594 1.00 0.00 C ATOM 557 CG LEU A 38 -4.986 -12.657 -7.670 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.969 -13.679 -8.285 1.00 0.00 C ATOM 559 CD2 LEU A 38 -3.630 -12.646 -8.413 1.00 0.00 C ATOM 0 H LEU A 38 -4.673 -11.092 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.842 -10.012 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.482 -11.270 -6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.986 -10.963 -8.585 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.786 -12.977 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.497 -14.661 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.869 -13.732 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.235 -13.366 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.224 -13.657 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.775 -12.281 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.933 -11.992 -7.889 1.00 0.00 H new ATOM 571 N ASP A 39 -6.108 -8.486 -5.967 1.00 0.00 N ATOM 572 CA ASP A 39 -6.817 -7.214 -5.742 1.00 0.00 C ATOM 573 C ASP A 39 -5.800 -6.071 -5.546 1.00 0.00 C ATOM 574 O ASP A 39 -5.962 -4.966 -6.090 1.00 0.00 O ATOM 575 CB ASP A 39 -7.752 -7.335 -4.511 1.00 0.00 C ATOM 576 CG ASP A 39 -8.583 -6.067 -4.247 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.696 -5.952 -4.800 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.114 -5.173 -3.510 1.00 0.00 O ATOM 0 H ASP A 39 -6.185 -9.142 -5.190 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.428 -6.986 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.427 -8.178 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.152 -7.557 -3.629 1.00 0.00 H new ATOM 583 N PHE A 40 -4.730 -6.388 -4.804 1.00 0.00 N ATOM 584 CA PHE A 40 -3.684 -5.429 -4.419 1.00 0.00 C ATOM 585 C PHE A 40 -2.853 -4.979 -5.646 1.00 0.00 C ATOM 586 O PHE A 40 -2.206 -3.933 -5.596 1.00 0.00 O ATOM 587 CB PHE A 40 -2.775 -6.021 -3.305 1.00 0.00 C ATOM 588 CG PHE A 40 -2.073 -4.953 -2.457 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.720 -4.378 -1.362 1.00 0.00 C ATOM 590 CD2 PHE A 40 -0.789 -4.509 -2.764 1.00 0.00 C ATOM 591 CE1 PHE A 40 -2.103 -3.401 -0.608 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.174 -3.529 -2.011 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.832 -2.978 -0.933 1.00 0.00 C ATOM 0 H PHE A 40 -4.564 -7.330 -4.449 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.173 -4.542 -4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.378 -6.653 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.022 -6.662 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.717 -4.702 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.266 -4.939 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.616 -2.967 0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.821 -3.195 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.351 -2.213 -0.341 1.00 0.00 H new ATOM 603 N LEU A 41 -2.869 -5.786 -6.734 1.00 0.00 N ATOM 604 CA LEU A 41 -2.195 -5.444 -8.012 1.00 0.00 C ATOM 605 C LEU A 41 -2.684 -4.075 -8.547 1.00 0.00 C ATOM 606 O LEU A 41 -1.882 -3.195 -8.892 1.00 0.00 O ATOM 607 CB LEU A 41 -2.469 -6.541 -9.086 1.00 0.00 C ATOM 608 CG LEU A 41 -1.888 -7.960 -8.795 1.00 0.00 C ATOM 609 CD1 LEU A 41 -2.324 -8.978 -9.876 1.00 0.00 C ATOM 610 CD2 LEU A 41 -0.349 -7.923 -8.642 1.00 0.00 C ATOM 0 H LEU A 41 -3.346 -6.687 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.124 -5.387 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.548 -6.633 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.065 -6.195 -10.038 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.301 -8.293 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.903 -9.957 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.412 -9.046 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.965 -8.650 -10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.021 -8.928 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.099 -7.549 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.081 -7.265 -7.815 1.00 0.00 H new ATOM 622 N ASP A 42 -4.015 -3.921 -8.578 1.00 0.00 N ATOM 623 CA ASP A 42 -4.697 -2.698 -9.049 1.00 0.00 C ATOM 624 C ASP A 42 -4.479 -1.528 -8.084 1.00 0.00 C ATOM 625 O ASP A 42 -4.444 -0.365 -8.506 1.00 0.00 O ATOM 626 CB ASP A 42 -6.213 -2.965 -9.231 1.00 0.00 C ATOM 627 CG ASP A 42 -6.493 -3.979 -10.342 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.291 -5.189 -10.122 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.875 -3.567 -11.458 1.00 0.00 O ATOM 0 H ASP A 42 -4.661 -4.650 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.264 -2.424 -10.011 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.631 -3.332 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.720 -2.028 -9.461 1.00 0.00 H new ATOM 634 N ILE A 43 -4.349 -1.844 -6.786 1.00 0.00 N ATOM 635 CA ILE A 43 -4.058 -0.839 -5.746 1.00 0.00 C ATOM 636 C ILE A 43 -2.651 -0.241 -5.964 1.00 0.00 C ATOM 637 O ILE A 43 -2.486 0.977 -5.959 1.00 0.00 O ATOM 638 CB ILE A 43 -4.178 -1.461 -4.303 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.655 -1.895 -4.033 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.658 -0.504 -3.198 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.894 -2.552 -2.687 1.00 0.00 C ATOM 0 H ILE A 43 -4.441 -2.795 -6.428 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.797 -0.041 -5.827 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.537 -2.342 -4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.296 -1.017 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.964 -2.586 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.764 -0.982 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.607 -0.276 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.237 0.419 -3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.947 -2.817 -2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.285 -3.453 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.622 -1.859 -1.891 1.00 0.00 H new ATOM 653 N ALA A 44 -1.671 -1.131 -6.219 1.00 0.00 N ATOM 654 CA ALA A 44 -0.264 -0.746 -6.462 1.00 0.00 C ATOM 655 C ALA A 44 -0.140 0.111 -7.735 1.00 0.00 C ATOM 656 O ALA A 44 0.652 1.053 -7.782 1.00 0.00 O ATOM 657 CB ALA A 44 0.625 -1.996 -6.560 1.00 0.00 C ATOM 0 H ALA A 44 -1.832 -2.137 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 44 0.076 -0.145 -5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.657 -1.695 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.567 -2.558 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.282 -2.623 -7.383 1.00 0.00 H new ATOM 663 N PHE A 45 -0.985 -0.214 -8.735 1.00 0.00 N ATOM 664 CA PHE A 45 -1.065 0.514 -10.020 1.00 0.00 C ATOM 665 C PHE A 45 -1.536 1.963 -9.800 1.00 0.00 C ATOM 666 O PHE A 45 -0.944 2.911 -10.328 1.00 0.00 O ATOM 667 CB PHE A 45 -2.028 -0.235 -10.982 1.00 0.00 C ATOM 668 CG PHE A 45 -2.032 0.289 -12.426 1.00 0.00 C ATOM 669 CD1 PHE A 45 -1.016 -0.064 -13.308 1.00 0.00 C ATOM 670 CD2 PHE A 45 -3.047 1.120 -12.902 1.00 0.00 C ATOM 671 CE1 PHE A 45 -1.008 0.392 -14.612 1.00 0.00 C ATOM 672 CE2 PHE A 45 -3.041 1.574 -14.209 1.00 0.00 C ATOM 673 CZ PHE A 45 -2.021 1.210 -15.064 1.00 0.00 C ATOM 0 H PHE A 45 -1.637 -0.996 -8.674 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.072 0.552 -10.467 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.758 -1.291 -10.994 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.041 -0.169 -10.584 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.218 -0.707 -12.967 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.849 1.413 -12.241 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.207 0.107 -15.278 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.836 2.215 -14.561 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.016 1.565 -16.084 1.00 0.00 H new ATOM 683 N ALA A 46 -2.609 2.108 -9.002 1.00 0.00 N ATOM 684 CA ALA A 46 -3.193 3.417 -8.651 1.00 0.00 C ATOM 685 C ALA A 46 -2.223 4.257 -7.794 1.00 0.00 C ATOM 686 O ALA A 46 -2.237 5.486 -7.862 1.00 0.00 O ATOM 687 CB ALA A 46 -4.529 3.223 -7.921 1.00 0.00 C ATOM 0 H ALA A 46 -3.098 1.318 -8.580 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.373 3.964 -9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.950 4.196 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.222 2.685 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.365 2.650 -7.009 1.00 0.00 H new ATOM 693 N ILE A 47 -1.391 3.572 -6.990 1.00 0.00 N ATOM 694 CA ILE A 47 -0.362 4.213 -6.145 1.00 0.00 C ATOM 695 C ILE A 47 0.790 4.781 -7.014 1.00 0.00 C ATOM 696 O ILE A 47 1.267 5.900 -6.770 1.00 0.00 O ATOM 697 CB ILE A 47 0.177 3.195 -5.063 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.943 2.873 -4.018 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.452 3.709 -4.352 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.648 1.710 -3.085 1.00 0.00 C ATOM 0 H ILE A 47 -1.411 2.556 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.818 5.051 -5.618 1.00 0.00 H new ATOM 0 HB ILE A 47 0.453 2.281 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.122 3.764 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.867 2.661 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.781 2.973 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.241 3.866 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.233 4.650 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.486 1.570 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.502 0.802 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.255 1.922 -2.513 1.00 0.00 H new ATOM 712 N ASP A 48 1.212 4.002 -8.033 1.00 0.00 N ATOM 713 CA ASP A 48 2.242 4.421 -9.021 1.00 0.00 C ATOM 714 C ASP A 48 1.863 5.741 -9.704 1.00 0.00 C ATOM 715 O ASP A 48 2.708 6.615 -9.926 1.00 0.00 O ATOM 716 CB ASP A 48 2.449 3.342 -10.125 1.00 0.00 C ATOM 717 CG ASP A 48 3.030 2.024 -9.607 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.989 2.063 -8.826 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.574 0.943 -10.029 1.00 0.00 O ATOM 0 H ASP A 48 0.850 3.063 -8.198 1.00 0.00 H new ATOM 0 HA ASP A 48 3.167 4.552 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.492 3.141 -10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.113 3.743 -10.891 1.00 0.00 H new ATOM 724 N LYS A 49 0.574 5.857 -10.025 1.00 0.00 N ATOM 725 CA LYS A 49 0.016 7.006 -10.744 1.00 0.00 C ATOM 726 C LYS A 49 -0.188 8.210 -9.805 1.00 0.00 C ATOM 727 O LYS A 49 0.286 9.311 -10.095 1.00 0.00 O ATOM 728 CB LYS A 49 -1.325 6.589 -11.398 1.00 0.00 C ATOM 729 CG LYS A 49 -1.186 5.457 -12.444 1.00 0.00 C ATOM 730 CD LYS A 49 -2.538 4.955 -12.993 1.00 0.00 C ATOM 731 CE LYS A 49 -3.370 6.063 -13.657 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.566 5.517 -14.341 1.00 0.00 N ATOM 0 H LYS A 49 -0.121 5.148 -9.791 1.00 0.00 H new ATOM 0 HA LYS A 49 0.720 7.315 -11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.014 6.267 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.771 7.461 -11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.576 5.813 -13.274 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.653 4.620 -11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.356 4.162 -13.718 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.114 4.516 -12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.681 6.786 -12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.752 6.599 -14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.102 6.295 -14.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.268 4.846 -15.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.168 5.027 -13.649 1.00 0.00 H new ATOM 746 N ALA A 50 -0.867 7.973 -8.667 1.00 0.00 N ATOM 747 CA ALA A 50 -1.318 9.046 -7.746 1.00 0.00 C ATOM 748 C ALA A 50 -0.140 9.722 -7.034 1.00 0.00 C ATOM 749 O ALA A 50 -0.077 10.953 -6.941 1.00 0.00 O ATOM 750 CB ALA A 50 -2.307 8.489 -6.712 1.00 0.00 C ATOM 0 H ALA A 50 -1.121 7.035 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.819 9.801 -8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.626 9.290 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.175 8.076 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.822 7.705 -6.130 1.00 0.00 H new ATOM 756 N PHE A 51 0.785 8.902 -6.521 1.00 0.00 N ATOM 757 CA PHE A 51 1.994 9.386 -5.828 1.00 0.00 C ATOM 758 C PHE A 51 3.107 9.728 -6.832 1.00 0.00 C ATOM 759 O PHE A 51 4.066 10.418 -6.480 1.00 0.00 O ATOM 760 CB PHE A 51 2.498 8.332 -4.816 1.00 0.00 C ATOM 761 CG PHE A 51 1.525 8.039 -3.676 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.508 7.097 -3.826 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.638 8.691 -2.449 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.354 6.808 -2.789 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.773 8.405 -1.417 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.220 7.461 -1.587 1.00 0.00 C ATOM 0 H PHE A 51 0.721 7.885 -6.572 1.00 0.00 H new ATOM 0 HA PHE A 51 1.728 10.295 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.705 7.404 -5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.442 8.674 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.393 6.585 -4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.413 9.429 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.132 6.071 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.871 8.920 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.893 7.235 -0.773 1.00 0.00 H new ATOM 776 N GLY A 52 2.978 9.221 -8.080 1.00 0.00 N ATOM 777 CA GLY A 52 3.978 9.435 -9.126 1.00 0.00 C ATOM 778 C GLY A 52 5.287 8.724 -8.810 1.00 0.00 C ATOM 779 O GLY A 52 6.367 9.325 -8.885 1.00 0.00 O ATOM 0 H GLY A 52 2.181 8.658 -8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.590 9.076 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.163 10.503 -9.239 1.00 0.00 H new ATOM 783 N ILE A 53 5.179 7.441 -8.418 1.00 0.00 N ATOM 784 CA ILE A 53 6.317 6.637 -7.915 1.00 0.00 C ATOM 785 C ILE A 53 6.416 5.272 -8.617 1.00 0.00 C ATOM 786 O ILE A 53 5.660 4.970 -9.546 1.00 0.00 O ATOM 787 CB ILE A 53 6.203 6.388 -6.359 1.00 0.00 C ATOM 788 CG1 ILE A 53 4.890 5.615 -6.002 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.319 7.707 -5.570 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.798 5.197 -4.548 1.00 0.00 C ATOM 0 H ILE A 53 4.298 6.927 -8.440 1.00 0.00 H new ATOM 0 HA ILE A 53 7.213 7.217 -8.133 1.00 0.00 H new ATOM 0 HB ILE A 53 7.042 5.758 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.033 6.244 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.821 4.727 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.237 7.501 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.283 8.171 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.519 8.383 -5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.860 4.667 -4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.634 4.541 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.834 6.082 -3.912 1.00 0.00 H new ATOM 802 N LYS A 54 7.376 4.467 -8.138 1.00 0.00 N ATOM 803 CA LYS A 54 7.580 3.078 -8.535 1.00 0.00 C ATOM 804 C LYS A 54 7.497 2.191 -7.273 1.00 0.00 C ATOM 805 O LYS A 54 8.466 2.081 -6.507 1.00 0.00 O ATOM 806 CB LYS A 54 8.955 2.964 -9.252 1.00 0.00 C ATOM 807 CG LYS A 54 9.355 1.545 -9.703 1.00 0.00 C ATOM 808 CD LYS A 54 10.696 1.530 -10.481 1.00 0.00 C ATOM 809 CE LYS A 54 11.878 2.100 -9.662 1.00 0.00 C ATOM 810 NZ LYS A 54 13.159 2.047 -10.409 1.00 0.00 N ATOM 0 H LYS A 54 8.051 4.782 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 54 6.813 2.740 -9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.944 3.614 -10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.726 3.344 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.437 0.898 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.568 1.131 -10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.926 0.506 -10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.584 2.109 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.662 3.133 -9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.978 1.538 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.921 2.440 -9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.380 1.060 -10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.075 2.605 -11.283 1.00 0.00 H new ATOM 824 N LEU A 55 6.295 1.649 -7.026 1.00 0.00 N ATOM 825 CA LEU A 55 6.035 0.674 -5.961 1.00 0.00 C ATOM 826 C LEU A 55 6.386 -0.728 -6.500 1.00 0.00 C ATOM 827 O LEU A 55 5.690 -1.226 -7.399 1.00 0.00 O ATOM 828 CB LEU A 55 4.536 0.766 -5.506 1.00 0.00 C ATOM 829 CG LEU A 55 4.120 -0.061 -4.224 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.858 0.519 -3.558 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.901 -1.567 -4.512 1.00 0.00 C ATOM 0 H LEU A 55 5.464 1.881 -7.571 1.00 0.00 H new ATOM 0 HA LEU A 55 6.649 0.881 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.302 1.815 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.910 0.440 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 55 4.965 0.027 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.603 -0.076 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.047 1.549 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.029 0.495 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.618 -2.076 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.108 -1.685 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.823 -2.001 -4.898 1.00 0.00 H new ATOM 843 N PRO A 56 7.464 -1.398 -5.980 1.00 0.00 N ATOM 844 CA PRO A 56 7.846 -2.737 -6.442 1.00 0.00 C ATOM 845 C PRO A 56 7.096 -3.846 -5.673 1.00 0.00 C ATOM 846 O PRO A 56 7.643 -4.472 -4.757 1.00 0.00 O ATOM 847 CB PRO A 56 9.374 -2.740 -6.180 1.00 0.00 C ATOM 848 CG PRO A 56 9.556 -1.880 -4.954 1.00 0.00 C ATOM 849 CD PRO A 56 8.384 -0.905 -4.916 1.00 0.00 C ATOM 0 HA PRO A 56 7.592 -2.941 -7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.745 -3.751 -6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.922 -2.336 -7.031 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.577 -2.493 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.503 -1.343 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.899 -0.903 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.709 0.117 -5.113 1.00 0.00 H new ATOM 857 N LEU A 57 5.843 -4.120 -6.094 1.00 0.00 N ATOM 858 CA LEU A 57 4.992 -5.149 -5.465 1.00 0.00 C ATOM 859 C LEU A 57 5.516 -6.553 -5.795 1.00 0.00 C ATOM 860 O LEU A 57 5.383 -7.476 -4.991 1.00 0.00 O ATOM 861 CB LEU A 57 3.509 -5.003 -5.910 1.00 0.00 C ATOM 862 CG LEU A 57 2.497 -5.967 -5.206 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.524 -5.791 -3.663 1.00 0.00 C ATOM 864 CD2 LEU A 57 1.069 -5.794 -5.776 1.00 0.00 C ATOM 0 H LEU A 57 5.397 -3.637 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 57 5.033 -5.005 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.193 -3.976 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.453 -5.168 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 57 2.811 -6.989 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.809 -6.476 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.525 -6.008 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.257 -4.765 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.389 -6.477 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.737 -4.768 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.074 -6.015 -6.843 1.00 0.00 H new ATOM 876 N GLU A 58 6.139 -6.676 -6.985 1.00 0.00 N ATOM 877 CA GLU A 58 6.839 -7.895 -7.430 1.00 0.00 C ATOM 878 C GLU A 58 7.893 -8.346 -6.396 1.00 0.00 C ATOM 879 O GLU A 58 8.049 -9.541 -6.128 1.00 0.00 O ATOM 880 CB GLU A 58 7.520 -7.634 -8.804 1.00 0.00 C ATOM 881 CG GLU A 58 8.475 -6.413 -8.824 1.00 0.00 C ATOM 882 CD GLU A 58 9.214 -6.216 -10.155 1.00 0.00 C ATOM 883 OE1 GLU A 58 10.321 -6.775 -10.325 1.00 0.00 O ATOM 884 OE2 GLU A 58 8.701 -5.498 -11.040 1.00 0.00 O ATOM 0 H GLU A 58 6.170 -5.922 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 58 6.104 -8.694 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.081 -8.523 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.746 -7.487 -9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.901 -5.513 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.209 -6.527 -8.027 1.00 0.00 H new ATOM 891 N LYS A 59 8.580 -7.353 -5.805 1.00 0.00 N ATOM 892 CA LYS A 59 9.644 -7.574 -4.828 1.00 0.00 C ATOM 893 C LYS A 59 9.044 -7.840 -3.443 1.00 0.00 C ATOM 894 O LYS A 59 9.454 -8.775 -2.767 1.00 0.00 O ATOM 895 CB LYS A 59 10.582 -6.343 -4.780 1.00 0.00 C ATOM 896 CG LYS A 59 11.808 -6.507 -3.857 1.00 0.00 C ATOM 897 CD LYS A 59 12.696 -5.244 -3.828 1.00 0.00 C ATOM 898 CE LYS A 59 11.995 -4.021 -3.216 1.00 0.00 C ATOM 899 NZ LYS A 59 12.807 -2.793 -3.371 1.00 0.00 N ATOM 0 H LYS A 59 8.405 -6.367 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 59 10.224 -8.446 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.930 -6.128 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.008 -5.477 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.470 -6.734 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.401 -7.357 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.601 -5.458 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.008 -5.004 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.026 -3.880 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.805 -4.201 -2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.303 -1.988 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.722 -2.919 -2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.967 -2.608 -4.382 1.00 0.00 H new ATOM 913 N TRP A 60 8.061 -7.002 -3.049 1.00 0.00 N ATOM 914 CA TRP A 60 7.393 -7.077 -1.731 1.00 0.00 C ATOM 915 C TRP A 60 6.795 -8.473 -1.496 1.00 0.00 C ATOM 916 O TRP A 60 7.073 -9.114 -0.479 1.00 0.00 O ATOM 917 CB TRP A 60 6.286 -5.988 -1.607 1.00 0.00 C ATOM 918 CG TRP A 60 6.793 -4.558 -1.556 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.076 -4.108 -1.747 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.012 -3.393 -1.273 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.121 -2.746 -1.619 1.00 0.00 N ATOM 922 CE2 TRP A 60 6.876 -2.282 -1.318 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.664 -3.181 -0.985 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.440 -0.989 -1.087 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.230 -1.897 -0.756 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.117 -0.810 -0.804 1.00 0.00 C ATOM 0 H TRP A 60 7.706 -6.250 -3.640 1.00 0.00 H new ATOM 0 HA TRP A 60 8.147 -6.893 -0.966 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.605 -6.086 -2.453 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.705 -6.184 -0.706 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.926 -4.737 -1.966 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.955 -2.170 -1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.974 -4.011 -0.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.122 -0.152 -1.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.188 -1.721 -0.535 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.746 0.186 -0.613 1.00 0.00 H new ATOM 937 N THR A 61 6.016 -8.939 -2.484 1.00 0.00 N ATOM 938 CA THR A 61 5.408 -10.276 -2.501 1.00 0.00 C ATOM 939 C THR A 61 6.471 -11.396 -2.374 1.00 0.00 C ATOM 940 O THR A 61 6.334 -12.292 -1.537 1.00 0.00 O ATOM 941 CB THR A 61 4.568 -10.469 -3.814 1.00 0.00 C ATOM 942 OG1 THR A 61 3.564 -9.437 -3.893 1.00 0.00 O ATOM 943 CG2 THR A 61 3.878 -11.845 -3.887 1.00 0.00 C ATOM 0 H THR A 61 5.787 -8.385 -3.309 1.00 0.00 H new ATOM 0 HA THR A 61 4.749 -10.351 -1.636 1.00 0.00 H new ATOM 0 HB THR A 61 5.263 -10.407 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.963 -8.620 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.313 -11.920 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.632 -12.632 -3.856 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.201 -11.958 -3.040 1.00 0.00 H new ATOM 951 N GLN A 62 7.554 -11.281 -3.172 1.00 0.00 N ATOM 952 CA GLN A 62 8.631 -12.290 -3.249 1.00 0.00 C ATOM 953 C GLN A 62 9.363 -12.440 -1.907 1.00 0.00 C ATOM 954 O GLN A 62 9.592 -13.560 -1.434 1.00 0.00 O ATOM 955 CB GLN A 62 9.640 -11.907 -4.370 1.00 0.00 C ATOM 956 CG GLN A 62 10.782 -12.922 -4.599 1.00 0.00 C ATOM 957 CD GLN A 62 10.278 -14.310 -4.999 1.00 0.00 C ATOM 958 OE1 GLN A 62 10.078 -14.594 -6.180 1.00 0.00 O ATOM 959 NE2 GLN A 62 10.063 -15.188 -4.027 1.00 0.00 N ATOM 0 H GLN A 62 7.706 -10.480 -3.785 1.00 0.00 H new ATOM 0 HA GLN A 62 8.173 -13.250 -3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.092 -11.784 -5.304 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.078 -10.939 -4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.445 -12.544 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.374 -13.005 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.237 -14.927 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.724 -16.124 -4.251 1.00 0.00 H new ATOM 968 N GLU A 63 9.689 -11.296 -1.292 1.00 0.00 N ATOM 969 CA GLU A 63 10.483 -11.247 -0.062 1.00 0.00 C ATOM 970 C GLU A 63 9.679 -11.772 1.133 1.00 0.00 C ATOM 971 O GLU A 63 10.227 -12.466 1.987 1.00 0.00 O ATOM 972 CB GLU A 63 11.013 -9.808 0.199 1.00 0.00 C ATOM 973 CG GLU A 63 11.945 -9.257 -0.910 1.00 0.00 C ATOM 974 CD GLU A 63 13.128 -10.181 -1.252 1.00 0.00 C ATOM 975 OE1 GLU A 63 14.137 -10.176 -0.513 1.00 0.00 O ATOM 976 OE2 GLU A 63 13.049 -10.931 -2.255 1.00 0.00 O ATOM 0 H GLU A 63 9.408 -10.378 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 63 11.346 -11.900 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.162 -9.135 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.551 -9.799 1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.358 -9.087 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.333 -8.288 -0.595 1.00 0.00 H new ATOM 983 N VAL A 64 8.370 -11.475 1.172 1.00 0.00 N ATOM 984 CA VAL A 64 7.482 -11.989 2.229 1.00 0.00 C ATOM 985 C VAL A 64 7.324 -13.521 2.100 1.00 0.00 C ATOM 986 O VAL A 64 7.403 -14.246 3.099 1.00 0.00 O ATOM 987 CB VAL A 64 6.077 -11.283 2.215 1.00 0.00 C ATOM 988 CG1 VAL A 64 5.115 -11.922 3.243 1.00 0.00 C ATOM 989 CG2 VAL A 64 6.223 -9.764 2.479 1.00 0.00 C ATOM 0 H VAL A 64 7.903 -10.883 0.485 1.00 0.00 H new ATOM 0 HA VAL A 64 7.947 -11.760 3.188 1.00 0.00 H new ATOM 0 HB VAL A 64 5.647 -11.422 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.153 -11.411 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.975 -12.976 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.538 -11.830 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.239 -9.296 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.685 -9.607 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.848 -9.319 1.705 1.00 0.00 H new ATOM 999 N ASN A 65 7.149 -13.995 0.853 1.00 0.00 N ATOM 1000 CA ASN A 65 7.028 -15.436 0.535 1.00 0.00 C ATOM 1001 C ASN A 65 8.350 -16.199 0.770 1.00 0.00 C ATOM 1002 O ASN A 65 8.344 -17.421 0.920 1.00 0.00 O ATOM 1003 CB ASN A 65 6.541 -15.639 -0.933 1.00 0.00 C ATOM 1004 CG ASN A 65 5.111 -15.144 -1.188 1.00 0.00 C ATOM 1005 OD1 ASN A 65 4.278 -15.106 -0.287 1.00 0.00 O ATOM 1006 ND2 ASN A 65 4.809 -14.784 -2.429 1.00 0.00 N ATOM 0 H ASN A 65 7.087 -13.391 0.033 1.00 0.00 H new ATOM 0 HA ASN A 65 6.285 -15.850 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.221 -15.117 -1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.598 -16.699 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.866 -14.466 -2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.520 -14.825 -3.159 1.00 0.00 H new ATOM 1013 N ASP A 66 9.479 -15.475 0.788 1.00 0.00 N ATOM 1014 CA ASP A 66 10.818 -16.057 1.034 1.00 0.00 C ATOM 1015 C ASP A 66 11.191 -15.961 2.534 1.00 0.00 C ATOM 1016 O ASP A 66 12.200 -16.522 2.973 1.00 0.00 O ATOM 1017 CB ASP A 66 11.867 -15.329 0.150 1.00 0.00 C ATOM 1018 CG ASP A 66 13.223 -16.056 0.099 1.00 0.00 C ATOM 1019 OD1 ASP A 66 13.353 -17.024 -0.672 1.00 0.00 O ATOM 1020 OD2 ASP A 66 14.160 -15.667 0.820 1.00 0.00 O ATOM 0 H ASP A 66 9.495 -14.467 0.633 1.00 0.00 H new ATOM 0 HA ASP A 66 10.804 -17.114 0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.475 -15.232 -0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.017 -14.319 0.532 1.00 0.00 H new ATOM 1025 N GLY A 67 10.349 -15.249 3.314 1.00 0.00 N ATOM 1026 CA GLY A 67 10.581 -15.055 4.755 1.00 0.00 C ATOM 1027 C GLY A 67 11.549 -13.915 5.070 1.00 0.00 C ATOM 1028 O GLY A 67 11.931 -13.724 6.229 1.00 0.00 O ATOM 0 H GLY A 67 9.502 -14.800 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.628 -14.857 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.971 -15.980 5.180 1.00 0.00 H new ATOM 1032 N LYS A 68 11.931 -13.158 4.029 1.00 0.00 N ATOM 1033 CA LYS A 68 12.784 -11.958 4.150 1.00 0.00 C ATOM 1034 C LYS A 68 12.030 -10.815 4.862 1.00 0.00 C ATOM 1035 O LYS A 68 12.651 -9.931 5.448 1.00 0.00 O ATOM 1036 CB LYS A 68 13.210 -11.461 2.750 1.00 0.00 C ATOM 1037 CG LYS A 68 14.041 -12.441 1.898 1.00 0.00 C ATOM 1038 CD LYS A 68 15.501 -12.597 2.387 1.00 0.00 C ATOM 1039 CE LYS A 68 16.420 -13.201 1.309 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.477 -12.338 0.094 1.00 0.00 N ATOM 0 H LYS A 68 11.655 -13.361 3.068 1.00 0.00 H new ATOM 0 HA LYS A 68 13.661 -12.235 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.311 -11.201 2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.785 -10.543 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.557 -13.418 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.047 -12.096 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.887 -11.622 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.519 -13.232 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.424 -13.327 1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.059 -14.193 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.337 -12.558 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.640 -12.516 -0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.494 -11.338 0.379 1.00 0.00 H new ATOM 1054 N ALA A 69 10.690 -10.851 4.774 1.00 0.00 N ATOM 1055 CA ALA A 69 9.806 -9.814 5.331 1.00 0.00 C ATOM 1056 C ALA A 69 8.459 -10.428 5.746 1.00 0.00 C ATOM 1057 O ALA A 69 8.148 -11.573 5.393 1.00 0.00 O ATOM 1058 CB ALA A 69 9.601 -8.687 4.297 1.00 0.00 C ATOM 0 H ALA A 69 10.186 -11.607 4.310 1.00 0.00 H new ATOM 0 HA ALA A 69 10.272 -9.388 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.946 -7.923 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.564 -8.242 4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.148 -9.099 3.395 1.00 0.00 H new ATOM 1064 N THR A 70 7.682 -9.659 6.523 1.00 0.00 N ATOM 1065 CA THR A 70 6.307 -10.022 6.926 1.00 0.00 C ATOM 1066 C THR A 70 5.287 -9.185 6.124 1.00 0.00 C ATOM 1067 O THR A 70 5.604 -8.067 5.685 1.00 0.00 O ATOM 1068 CB THR A 70 6.092 -9.836 8.482 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.736 -10.137 8.848 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.432 -8.425 8.977 1.00 0.00 C ATOM 0 H THR A 70 7.989 -8.760 6.894 1.00 0.00 H new ATOM 0 HA THR A 70 6.151 -11.077 6.703 1.00 0.00 H new ATOM 0 HB THR A 70 6.781 -10.533 8.959 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.624 -10.018 9.814 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.262 -8.366 10.052 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.478 -8.206 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.798 -7.699 8.469 1.00 0.00 H new ATOM 1078 N THR A 71 4.071 -9.753 5.913 1.00 0.00 N ATOM 1079 CA THR A 71 2.938 -9.046 5.266 1.00 0.00 C ATOM 1080 C THR A 71 2.580 -7.774 6.053 1.00 0.00 C ATOM 1081 O THR A 71 2.193 -6.762 5.476 1.00 0.00 O ATOM 1082 CB THR A 71 1.645 -9.936 5.174 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.244 -10.354 6.492 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.825 -11.171 4.289 1.00 0.00 C ATOM 0 H THR A 71 3.851 -10.711 6.186 1.00 0.00 H new ATOM 0 HA THR A 71 3.269 -8.801 4.257 1.00 0.00 H new ATOM 0 HB THR A 71 0.875 -9.317 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.437 -10.907 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.897 -11.742 4.268 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.082 -10.859 3.277 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.625 -11.793 4.691 1.00 0.00 H new ATOM 1092 N GLU A 72 2.732 -7.872 7.382 1.00 0.00 N ATOM 1093 CA GLU A 72 2.472 -6.784 8.333 1.00 0.00 C ATOM 1094 C GLU A 72 3.287 -5.513 7.989 1.00 0.00 C ATOM 1095 O GLU A 72 2.757 -4.402 8.008 1.00 0.00 O ATOM 1096 CB GLU A 72 2.812 -7.299 9.755 1.00 0.00 C ATOM 1097 CG GLU A 72 2.613 -6.292 10.899 1.00 0.00 C ATOM 1098 CD GLU A 72 3.032 -6.869 12.262 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.232 -6.805 12.599 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.169 -7.413 12.985 1.00 0.00 O ATOM 0 H GLU A 72 3.046 -8.730 7.835 1.00 0.00 H new ATOM 0 HA GLU A 72 1.422 -6.497 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.199 -8.177 9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.851 -7.627 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.193 -5.392 10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.565 -5.993 10.940 1.00 0.00 H new ATOM 1107 N GLN A 73 4.561 -5.721 7.620 1.00 0.00 N ATOM 1108 CA GLN A 73 5.521 -4.635 7.321 1.00 0.00 C ATOM 1109 C GLN A 73 5.062 -3.780 6.120 1.00 0.00 C ATOM 1110 O GLN A 73 5.379 -2.589 6.028 1.00 0.00 O ATOM 1111 CB GLN A 73 6.916 -5.256 7.048 1.00 0.00 C ATOM 1112 CG GLN A 73 8.057 -4.256 6.783 1.00 0.00 C ATOM 1113 CD GLN A 73 9.411 -4.945 6.617 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.150 -5.133 7.584 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.742 -5.337 5.398 1.00 0.00 N ATOM 0 H GLN A 73 4.961 -6.654 7.519 1.00 0.00 H new ATOM 0 HA GLN A 73 5.574 -3.970 8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.191 -5.873 7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.834 -5.921 6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.832 -3.683 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.113 -3.546 7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.108 -5.166 4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.632 -5.810 5.238 1.00 0.00 H new ATOM 1124 N TYR A 74 4.329 -4.411 5.193 1.00 0.00 N ATOM 1125 CA TYR A 74 3.771 -3.723 4.021 1.00 0.00 C ATOM 1126 C TYR A 74 2.259 -3.488 4.217 1.00 0.00 C ATOM 1127 O TYR A 74 1.854 -2.414 4.629 1.00 0.00 O ATOM 1128 CB TYR A 74 4.073 -4.538 2.732 1.00 0.00 C ATOM 1129 CG TYR A 74 5.575 -4.800 2.538 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.451 -3.748 2.268 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.118 -6.079 2.656 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.803 -3.963 2.119 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.476 -6.294 2.502 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.310 -5.231 2.237 1.00 0.00 C ATOM 1135 OH TYR A 74 9.662 -5.436 2.100 1.00 0.00 O ATOM 0 H TYR A 74 4.107 -5.406 5.233 1.00 0.00 H new ATOM 0 HA TYR A 74 4.243 -2.747 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.544 -5.490 2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.687 -3.999 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.061 -2.745 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.468 -6.915 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.463 -3.134 1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.880 -7.292 2.589 1.00 0.00 H new ATOM 0 HH TYR A 74 9.861 -6.389 2.212 1.00 0.00 H new ATOM 1145 N PHE A 75 1.464 -4.548 4.005 1.00 0.00 N ATOM 1146 CA PHE A 75 -0.010 -4.511 3.843 1.00 0.00 C ATOM 1147 C PHE A 75 -0.800 -3.743 4.947 1.00 0.00 C ATOM 1148 O PHE A 75 -1.880 -3.224 4.638 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.539 -5.962 3.699 1.00 0.00 C ATOM 1150 CG PHE A 75 -0.096 -6.673 2.413 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.156 -7.290 2.316 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.933 -6.722 1.298 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.551 -7.926 1.151 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.540 -7.358 0.134 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.701 -7.960 0.058 1.00 0.00 C ATOM 0 H PHE A 75 1.838 -5.494 3.938 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.192 -3.928 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.203 -6.545 4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.628 -5.944 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.825 -7.270 3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.906 -6.255 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.522 -8.396 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.205 -7.384 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.008 -8.456 -0.851 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.304 -3.679 6.215 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.952 -2.827 7.261 1.00 0.00 C ATOM 1167 C VAL A 76 -0.878 -1.361 6.807 1.00 0.00 C ATOM 1168 O VAL A 76 0.202 -0.886 6.567 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.287 -2.946 8.685 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.998 -2.036 9.715 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.274 -4.396 9.183 1.00 0.00 C ATOM 0 H VAL A 76 0.519 -4.190 6.534 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.979 -3.179 7.364 1.00 0.00 H new ATOM 0 HB VAL A 76 0.746 -2.612 8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.516 -2.141 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.934 -0.998 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.045 -2.327 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.192 -4.438 10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.297 -4.767 9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.292 -5.015 8.487 1.00 0.00 H new ATOM 1181 N LEU A 77 -2.021 -0.656 6.753 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.147 0.629 6.019 1.00 0.00 C ATOM 1183 C LEU A 77 -1.188 1.729 6.522 1.00 0.00 C ATOM 1184 O LEU A 77 -0.727 2.540 5.722 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.609 1.137 6.041 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.677 0.167 5.445 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.028 0.875 5.238 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.181 -0.513 4.150 1.00 0.00 C ATOM 0 H LEU A 77 -2.882 -0.953 7.212 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.853 0.413 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.881 1.356 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.655 2.078 5.493 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.835 -0.626 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.748 0.170 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.395 1.246 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.899 1.711 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.955 -1.179 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.957 0.248 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.280 -1.088 4.363 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.921 1.763 7.845 1.00 0.00 N ATOM 1201 CA LYS A 78 0.086 2.688 8.433 1.00 0.00 C ATOM 1202 C LYS A 78 1.508 2.385 7.905 1.00 0.00 C ATOM 1203 O LYS A 78 2.288 3.301 7.625 1.00 0.00 O ATOM 1204 CB LYS A 78 0.069 2.631 9.993 1.00 0.00 C ATOM 1205 CG LYS A 78 0.438 1.261 10.616 1.00 0.00 C ATOM 1206 CD LYS A 78 0.419 1.278 12.161 1.00 0.00 C ATOM 1207 CE LYS A 78 0.827 -0.072 12.781 1.00 0.00 C ATOM 1208 NZ LYS A 78 0.854 -0.015 14.264 1.00 0.00 N ATOM 0 H LYS A 78 -1.384 1.165 8.529 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.188 3.696 8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.761 3.382 10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.926 2.911 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.260 0.505 10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.430 0.967 10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.094 2.055 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.581 1.542 12.504 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.128 -0.845 12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.811 -0.359 12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.133 -0.943 14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.539 0.704 14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.091 0.233 14.619 1.00 0.00 H new ATOM 1222 N ASN A 79 1.816 1.085 7.773 1.00 0.00 N ATOM 1223 CA ASN A 79 3.143 0.584 7.372 1.00 0.00 C ATOM 1224 C ASN A 79 3.318 0.687 5.854 1.00 0.00 C ATOM 1225 O ASN A 79 4.396 1.004 5.372 1.00 0.00 O ATOM 1226 CB ASN A 79 3.318 -0.881 7.851 1.00 0.00 C ATOM 1227 CG ASN A 79 3.260 -1.019 9.374 1.00 0.00 C ATOM 1228 OD1 ASN A 79 3.630 -0.105 10.102 1.00 0.00 O ATOM 1229 ND2 ASN A 79 2.802 -2.155 9.867 1.00 0.00 N ATOM 0 H ASN A 79 1.141 0.340 7.944 1.00 0.00 H new ATOM 0 HA ASN A 79 3.912 1.198 7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.539 -1.500 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.273 -1.264 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.749 -2.288 10.877 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.501 -2.899 9.238 1.00 0.00 H new ATOM 1236 N LEU A 80 2.249 0.361 5.122 1.00 0.00 N ATOM 1237 CA LEU A 80 2.106 0.585 3.677 1.00 0.00 C ATOM 1238 C LEU A 80 2.347 2.059 3.342 1.00 0.00 C ATOM 1239 O LEU A 80 3.134 2.377 2.453 1.00 0.00 O ATOM 1240 CB LEU A 80 0.680 0.148 3.238 1.00 0.00 C ATOM 1241 CG LEU A 80 0.349 0.226 1.717 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.347 -0.600 0.874 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.106 -0.223 1.454 1.00 0.00 C ATOM 0 H LEU A 80 1.428 -0.083 5.533 1.00 0.00 H new ATOM 0 HA LEU A 80 2.846 -0.007 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.526 -0.880 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.042 0.764 3.773 1.00 0.00 H new ATOM 0 HG LEU A 80 0.448 1.266 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.084 -0.522 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.356 -0.217 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.305 -1.645 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.318 -0.162 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.236 -1.251 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.791 0.427 1.998 1.00 0.00 H new ATOM 1255 N ALA A 81 1.698 2.942 4.121 1.00 0.00 N ATOM 1256 CA ALA A 81 1.844 4.399 3.998 1.00 0.00 C ATOM 1257 C ALA A 81 3.280 4.833 4.326 1.00 0.00 C ATOM 1258 O ALA A 81 3.762 5.800 3.767 1.00 0.00 O ATOM 1259 CB ALA A 81 0.845 5.127 4.912 1.00 0.00 C ATOM 0 H ALA A 81 1.053 2.660 4.859 1.00 0.00 H new ATOM 0 HA ALA A 81 1.629 4.672 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.972 6.204 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.172 4.851 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.026 4.842 5.948 1.00 0.00 H new ATOM 1265 N ALA A 82 3.944 4.094 5.235 1.00 0.00 N ATOM 1266 CA ALA A 82 5.348 4.362 5.607 1.00 0.00 C ATOM 1267 C ALA A 82 6.308 3.978 4.463 1.00 0.00 C ATOM 1268 O ALA A 82 7.239 4.721 4.155 1.00 0.00 O ATOM 1269 CB ALA A 82 5.708 3.612 6.895 1.00 0.00 C ATOM 0 H ALA A 82 3.529 3.303 5.728 1.00 0.00 H new ATOM 0 HA ALA A 82 5.456 5.432 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.745 3.818 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.056 3.943 7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.579 2.541 6.740 1.00 0.00 H new ATOM 1275 N ARG A 83 6.068 2.801 3.848 1.00 0.00 N ATOM 1276 CA ARG A 83 6.853 2.299 2.694 1.00 0.00 C ATOM 1277 C ARG A 83 6.722 3.229 1.483 1.00 0.00 C ATOM 1278 O ARG A 83 7.700 3.506 0.801 1.00 0.00 O ATOM 1279 CB ARG A 83 6.392 0.866 2.293 1.00 0.00 C ATOM 1280 CG ARG A 83 6.596 -0.221 3.373 1.00 0.00 C ATOM 1281 CD ARG A 83 8.057 -0.327 3.837 1.00 0.00 C ATOM 1282 NE ARG A 83 8.994 -0.493 2.708 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.228 0.040 2.641 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.722 0.768 3.637 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.968 -0.169 1.575 1.00 0.00 N ATOM 0 H ARG A 83 5.322 2.168 4.137 1.00 0.00 H new ATOM 0 HA ARG A 83 7.898 2.270 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.334 0.902 2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.931 0.567 1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.962 0.001 4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.273 -1.185 2.979 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.323 0.569 4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.159 -1.172 4.518 1.00 0.00 H new ATOM 0 HE ARG A 83 8.682 -1.056 1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.163 0.933 4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.660 1.162 3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.606 -0.732 0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.904 0.232 1.517 1.00 0.00 H new ATOM 1299 N ILE A 84 5.494 3.685 1.235 1.00 0.00 N ATOM 1300 CA ILE A 84 5.176 4.588 0.122 1.00 0.00 C ATOM 1301 C ILE A 84 5.721 6.004 0.402 1.00 0.00 C ATOM 1302 O ILE A 84 6.180 6.679 -0.511 1.00 0.00 O ATOM 1303 CB ILE A 84 3.629 4.595 -0.150 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.155 3.164 -0.570 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.217 5.653 -1.207 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.651 2.987 -0.632 1.00 0.00 C ATOM 0 H ILE A 84 4.684 3.438 1.804 1.00 0.00 H new ATOM 0 HA ILE A 84 5.666 4.226 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 84 3.132 4.878 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.575 2.930 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.564 2.440 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.138 5.616 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.501 6.646 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.722 5.442 -2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.417 1.965 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.221 3.185 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.232 3.683 -1.359 1.00 0.00 H new ATOM 1318 N ASP A 85 5.643 6.442 1.669 1.00 0.00 N ATOM 1319 CA ASP A 85 6.308 7.682 2.143 1.00 0.00 C ATOM 1320 C ASP A 85 7.829 7.620 1.918 1.00 0.00 C ATOM 1321 O ASP A 85 8.455 8.622 1.589 1.00 0.00 O ATOM 1322 CB ASP A 85 6.005 7.937 3.634 1.00 0.00 C ATOM 1323 CG ASP A 85 6.551 9.287 4.147 1.00 0.00 C ATOM 1324 OD1 ASP A 85 5.959 10.338 3.809 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.549 9.308 4.904 1.00 0.00 O ATOM 0 H ASP A 85 5.121 5.954 2.397 1.00 0.00 H new ATOM 0 HA ASP A 85 5.907 8.510 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.926 7.907 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.435 7.130 4.228 1.00 0.00 H new ATOM 1330 N GLU A 86 8.394 6.422 2.095 1.00 0.00 N ATOM 1331 CA GLU A 86 9.816 6.158 1.837 1.00 0.00 C ATOM 1332 C GLU A 86 10.095 6.311 0.318 1.00 0.00 C ATOM 1333 O GLU A 86 11.071 6.948 -0.072 1.00 0.00 O ATOM 1334 CB GLU A 86 10.171 4.729 2.373 1.00 0.00 C ATOM 1335 CG GLU A 86 11.659 4.473 2.723 1.00 0.00 C ATOM 1336 CD GLU A 86 12.607 4.541 1.521 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.444 3.737 0.592 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.522 5.390 1.497 1.00 0.00 O ATOM 0 H GLU A 86 7.878 5.605 2.422 1.00 0.00 H new ATOM 0 HA GLU A 86 10.451 6.874 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.573 4.541 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.866 3.998 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.977 5.205 3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.748 3.491 3.187 1.00 0.00 H new ATOM 1345 N LEU A 87 9.204 5.739 -0.515 1.00 0.00 N ATOM 1346 CA LEU A 87 9.290 5.812 -1.994 1.00 0.00 C ATOM 1347 C LEU A 87 9.195 7.269 -2.520 1.00 0.00 C ATOM 1348 O LEU A 87 9.989 7.672 -3.377 1.00 0.00 O ATOM 1349 CB LEU A 87 8.183 4.928 -2.651 1.00 0.00 C ATOM 1350 CG LEU A 87 8.246 3.390 -2.337 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.002 2.644 -2.868 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.548 2.750 -2.874 1.00 0.00 C ATOM 0 H LEU A 87 8.398 5.209 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 87 10.271 5.429 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.211 5.303 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.236 5.059 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 87 8.251 3.290 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.085 1.583 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.106 3.052 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.936 2.770 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.555 1.686 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.599 2.882 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.409 3.231 -2.409 1.00 0.00 H new ATOM 1364 N VAL A 88 8.226 8.054 -1.989 1.00 0.00 N ATOM 1365 CA VAL A 88 7.983 9.450 -2.438 1.00 0.00 C ATOM 1366 C VAL A 88 9.118 10.388 -1.966 1.00 0.00 C ATOM 1367 O VAL A 88 9.475 11.345 -2.665 1.00 0.00 O ATOM 1368 CB VAL A 88 6.577 10.036 -1.974 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.399 9.161 -2.463 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.496 10.246 -0.444 1.00 0.00 C ATOM 0 H VAL A 88 7.598 7.744 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 88 7.965 9.407 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 88 6.492 11.016 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.458 9.596 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.407 9.115 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.500 8.155 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.517 10.647 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.644 9.292 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.270 10.947 -0.131 1.00 0.00 H new ATOM 1380 N ALA A 89 9.669 10.108 -0.772 1.00 0.00 N ATOM 1381 CA ALA A 89 10.772 10.899 -0.200 1.00 0.00 C ATOM 1382 C ALA A 89 12.088 10.614 -0.944 1.00 0.00 C ATOM 1383 O ALA A 89 12.825 11.540 -1.280 1.00 0.00 O ATOM 1384 CB ALA A 89 10.906 10.628 1.310 1.00 0.00 C ATOM 0 H ALA A 89 9.365 9.334 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 89 10.544 11.957 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.726 11.221 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.978 10.901 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.109 9.570 1.473 1.00 0.00 H new ATOM 1390 N ALA A 90 12.354 9.318 -1.200 1.00 0.00 N ATOM 1391 CA ALA A 90 13.576 8.856 -1.898 1.00 0.00 C ATOM 1392 C ALA A 90 13.630 9.300 -3.367 1.00 0.00 C ATOM 1393 O ALA A 90 14.720 9.598 -3.876 1.00 0.00 O ATOM 1394 CB ALA A 90 13.710 7.332 -1.799 1.00 0.00 C ATOM 0 H ALA A 90 11.729 8.559 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 90 14.419 9.328 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.614 7.012 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.770 7.039 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.841 6.860 -2.258 1.00 0.00 H new