USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 657 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 13 LYS NZ :NH3+ 143:sc= -6.74! (180deg=0) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 175:sc= -7.07! (180deg=-0.361) USER MOD Single : A 1 SER N :NH3+ -147:sc= 0.0479 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -87:sc= -4.09! USER MOD Single : A 21 ASN : amide:sc= -5.79! C(o=-5.8!,f=-4.2!) USER MOD Single : A 22 ASN : amide:sc= -12.1! C(o=-12!,f=-4.8!) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.0113 (180deg=-0.265) USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.302 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.000628) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0268) USER MOD Single : A 35 MET CE :methyl -129:sc= -2.79 (180deg=-6.71!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= -0.133 (180deg=-0.987) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -57:sc= -0.33 USER MOD Single : A 48 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.022 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -42:sc= 0.329 USER MOD Single : A 67 SER OG : rot 180:sc= 0.00444 USER MOD Single : A 73 SER OG : rot -170:sc=-0.00811 USER MOD Single : A 74 MET CE :methyl -155:sc= -1.47 (180deg=-3.38!) USER MOD Single : A 76 HIS : no HE2:sc= -6.46! C(o=-6.5!,f=-7.5!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.432 5.822 5.702 1.00 0.00 N ATOM 2 CA SER A 1 22.420 4.882 6.858 1.00 0.00 C ATOM 3 C SER A 1 21.431 3.748 6.582 1.00 0.00 C ATOM 4 O SER A 1 21.218 3.358 5.451 1.00 0.00 O ATOM 5 CB SER A 1 21.994 5.632 8.121 1.00 0.00 C ATOM 6 OG SER A 1 20.635 6.030 7.995 1.00 0.00 O ATOM 0 H1 SER A 1 23.386 6.219 5.588 1.00 0.00 H new ATOM 0 H2 SER A 1 22.163 5.311 4.837 1.00 0.00 H new ATOM 0 H3 SER A 1 21.755 6.592 5.874 1.00 0.00 H new ATOM 0 HA SER A 1 23.418 4.468 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 1 22.118 4.994 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 1 22.628 6.506 8.271 1.00 0.00 H new ATOM 0 HG SER A 1 20.358 6.510 8.804 1.00 0.00 H new ATOM 14 N ASP A 2 20.825 3.215 7.607 1.00 0.00 N ATOM 15 CA ASP A 2 19.850 2.108 7.404 1.00 0.00 C ATOM 16 C ASP A 2 19.125 1.820 8.721 1.00 0.00 C ATOM 17 O ASP A 2 19.184 0.728 9.248 1.00 0.00 O ATOM 18 CB ASP A 2 20.592 0.852 6.941 1.00 0.00 C ATOM 19 CG ASP A 2 21.772 0.580 7.874 1.00 0.00 C ATOM 20 OD1 ASP A 2 21.730 1.041 9.002 1.00 0.00 O ATOM 21 OD2 ASP A 2 22.700 -0.087 7.445 1.00 0.00 O ATOM 0 H ASP A 2 20.963 3.499 8.577 1.00 0.00 H new ATOM 0 HA ASP A 2 19.123 2.398 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.915 -0.002 6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.946 0.983 5.919 1.00 0.00 H new ATOM 26 N VAL A 3 18.443 2.799 9.259 1.00 0.00 N ATOM 27 CA VAL A 3 17.714 2.596 10.546 1.00 0.00 C ATOM 28 C VAL A 3 16.258 2.216 10.267 1.00 0.00 C ATOM 29 O VAL A 3 15.721 1.304 10.861 1.00 0.00 O ATOM 30 CB VAL A 3 17.749 3.887 11.354 1.00 0.00 C ATOM 31 CG1 VAL A 3 16.953 3.709 12.650 1.00 0.00 C ATOM 32 CG2 VAL A 3 19.199 4.242 11.688 1.00 0.00 C ATOM 0 H VAL A 3 18.360 3.734 8.860 1.00 0.00 H new ATOM 0 HA VAL A 3 18.194 1.794 11.107 1.00 0.00 H new ATOM 0 HB VAL A 3 17.304 4.691 10.767 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.981 4.635 13.224 1.00 0.00 H new ATOM 0 HG12 VAL A 3 15.919 3.462 12.411 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.392 2.903 13.239 1.00 0.00 H new ATOM 0 HG21 VAL A 3 19.224 5.166 12.266 1.00 0.00 H new ATOM 0 HG22 VAL A 3 19.646 3.437 12.271 1.00 0.00 H new ATOM 0 HG23 VAL A 3 19.763 4.377 10.765 1.00 0.00 H new ATOM 42 N TYR A 4 15.609 2.917 9.377 1.00 0.00 N ATOM 43 CA TYR A 4 14.182 2.604 9.073 1.00 0.00 C ATOM 44 C TYR A 4 14.100 1.336 8.213 1.00 0.00 C ATOM 45 O TYR A 4 13.282 0.471 8.453 1.00 0.00 O ATOM 46 CB TYR A 4 13.550 3.795 8.324 1.00 0.00 C ATOM 47 CG TYR A 4 12.962 4.783 9.312 1.00 0.00 C ATOM 48 CD1 TYR A 4 13.643 5.081 10.499 1.00 0.00 C ATOM 49 CD2 TYR A 4 11.735 5.399 9.039 1.00 0.00 C ATOM 50 CE1 TYR A 4 13.099 5.991 11.410 1.00 0.00 C ATOM 51 CE2 TYR A 4 11.190 6.310 9.949 1.00 0.00 C ATOM 52 CZ TYR A 4 11.871 6.607 11.136 1.00 0.00 C ATOM 53 OH TYR A 4 11.333 7.506 12.034 1.00 0.00 O ATOM 0 H TYR A 4 16.005 3.693 8.847 1.00 0.00 H new ATOM 0 HA TYR A 4 13.638 2.432 10.002 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.303 4.289 7.710 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.772 3.438 7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 4 14.590 4.607 10.711 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.209 5.170 8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 4 13.625 6.219 12.325 1.00 0.00 H new ATOM 0 HE2 TYR A 4 10.244 6.785 9.736 1.00 0.00 H new ATOM 0 HH TYR A 4 10.479 7.841 11.690 1.00 0.00 H new ATOM 63 N CYS A 5 14.938 1.220 7.216 1.00 0.00 N ATOM 64 CA CYS A 5 14.903 0.006 6.345 1.00 0.00 C ATOM 65 C CYS A 5 14.803 -1.250 7.222 1.00 0.00 C ATOM 66 O CYS A 5 14.198 -2.235 6.846 1.00 0.00 O ATOM 67 CB CYS A 5 16.181 -0.042 5.499 1.00 0.00 C ATOM 68 SG CYS A 5 15.988 1.008 4.031 1.00 0.00 S ATOM 0 H CYS A 5 15.645 1.912 6.967 1.00 0.00 H new ATOM 0 HA CYS A 5 14.036 0.047 5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 5 17.032 0.297 6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 5 16.390 -1.069 5.198 1.00 0.00 H new ATOM 73 N GLU A 6 15.382 -1.216 8.392 1.00 0.00 N ATOM 74 CA GLU A 6 15.312 -2.400 9.295 1.00 0.00 C ATOM 75 C GLU A 6 13.997 -2.361 10.079 1.00 0.00 C ATOM 76 O GLU A 6 13.249 -3.319 10.106 1.00 0.00 O ATOM 77 CB GLU A 6 16.489 -2.364 10.273 1.00 0.00 C ATOM 78 CG GLU A 6 17.804 -2.397 9.491 1.00 0.00 C ATOM 79 CD GLU A 6 17.971 -3.766 8.831 1.00 0.00 C ATOM 80 OE1 GLU A 6 17.552 -4.745 9.428 1.00 0.00 O ATOM 81 OE2 GLU A 6 18.515 -3.814 7.741 1.00 0.00 O ATOM 0 H GLU A 6 15.901 -0.419 8.761 1.00 0.00 H new ATOM 0 HA GLU A 6 15.358 -3.315 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.440 -1.463 10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.437 -3.214 10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.809 -1.613 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.642 -2.199 10.159 1.00 0.00 H new ATOM 88 N VAL A 7 13.711 -1.260 10.718 1.00 0.00 N ATOM 89 CA VAL A 7 12.445 -1.157 11.500 1.00 0.00 C ATOM 90 C VAL A 7 11.256 -1.481 10.595 1.00 0.00 C ATOM 91 O VAL A 7 10.466 -2.358 10.880 1.00 0.00 O ATOM 92 CB VAL A 7 12.295 0.267 12.043 1.00 0.00 C ATOM 93 CG1 VAL A 7 10.997 0.372 12.847 1.00 0.00 C ATOM 94 CG2 VAL A 7 13.486 0.602 12.949 1.00 0.00 C ATOM 0 H VAL A 7 14.299 -0.427 10.733 1.00 0.00 H new ATOM 0 HA VAL A 7 12.474 -1.864 12.329 1.00 0.00 H new ATOM 0 HB VAL A 7 12.266 0.970 11.210 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.890 1.385 13.234 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.150 0.138 12.202 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.026 -0.332 13.678 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.377 1.616 13.334 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.519 -0.101 13.782 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.411 0.529 12.376 1.00 0.00 H new ATOM 104 N CYS A 8 11.120 -0.775 9.505 1.00 0.00 N ATOM 105 CA CYS A 8 9.979 -1.038 8.585 1.00 0.00 C ATOM 106 C CYS A 8 9.932 -2.530 8.235 1.00 0.00 C ATOM 107 O CYS A 8 8.907 -3.169 8.365 1.00 0.00 O ATOM 108 CB CYS A 8 10.150 -0.211 7.308 1.00 0.00 C ATOM 109 SG CYS A 8 11.599 -0.795 6.394 1.00 0.00 S ATOM 0 H CYS A 8 11.750 -0.028 9.213 1.00 0.00 H new ATOM 0 HA CYS A 8 9.047 -0.756 9.074 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.258 -0.294 6.687 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.267 0.843 7.559 1.00 0.00 H new ATOM 114 N GLU A 9 11.031 -3.080 7.781 1.00 0.00 N ATOM 115 CA GLU A 9 11.051 -4.546 7.402 1.00 0.00 C ATOM 116 C GLU A 9 10.262 -5.361 8.433 1.00 0.00 C ATOM 117 O GLU A 9 9.580 -6.309 8.097 1.00 0.00 O ATOM 118 CB GLU A 9 12.492 -5.106 7.334 1.00 0.00 C ATOM 119 CG GLU A 9 12.435 -6.610 7.042 1.00 0.00 C ATOM 120 CD GLU A 9 13.827 -7.110 6.652 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.703 -6.282 6.457 1.00 0.00 O ATOM 122 OE2 GLU A 9 13.996 -8.314 6.555 1.00 0.00 O ATOM 0 H GLU A 9 11.916 -2.589 7.653 1.00 0.00 H new ATOM 0 HA GLU A 9 10.598 -4.630 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.058 -4.594 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.010 -4.926 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.077 -7.148 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.728 -6.808 6.237 1.00 0.00 H new ATOM 129 N PHE A 10 10.354 -5.007 9.685 1.00 0.00 N ATOM 130 CA PHE A 10 9.615 -5.770 10.730 1.00 0.00 C ATOM 131 C PHE A 10 8.144 -5.352 10.741 1.00 0.00 C ATOM 132 O PHE A 10 7.272 -6.129 11.077 1.00 0.00 O ATOM 133 CB PHE A 10 10.238 -5.487 12.099 1.00 0.00 C ATOM 134 CG PHE A 10 9.447 -6.199 13.171 1.00 0.00 C ATOM 135 CD1 PHE A 10 9.673 -7.559 13.421 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.490 -5.501 13.916 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.941 -8.219 14.415 1.00 0.00 C ATOM 138 CE2 PHE A 10 7.759 -6.161 14.910 1.00 0.00 C ATOM 139 CZ PHE A 10 7.984 -7.519 15.161 1.00 0.00 C ATOM 0 H PHE A 10 10.908 -4.223 10.030 1.00 0.00 H new ATOM 0 HA PHE A 10 9.680 -6.836 10.510 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.275 -5.822 12.114 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.247 -4.414 12.291 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.412 -8.098 12.847 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.316 -4.453 13.724 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.114 -9.268 14.607 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.020 -5.622 15.484 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.420 -8.027 15.929 1.00 0.00 H new ATOM 149 N LEU A 11 7.858 -4.131 10.385 1.00 0.00 N ATOM 150 CA LEU A 11 6.441 -3.669 10.386 1.00 0.00 C ATOM 151 C LEU A 11 5.746 -4.112 9.099 1.00 0.00 C ATOM 152 O LEU A 11 4.622 -4.572 9.121 1.00 0.00 O ATOM 153 CB LEU A 11 6.405 -2.142 10.475 1.00 0.00 C ATOM 154 CG LEU A 11 6.951 -1.687 11.833 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.068 -0.160 11.837 1.00 0.00 C ATOM 156 CD2 LEU A 11 6.010 -2.145 12.969 1.00 0.00 C ATOM 0 H LEU A 11 8.543 -3.433 10.094 1.00 0.00 H new ATOM 0 HA LEU A 11 5.925 -4.104 11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.998 -1.708 9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.383 -1.785 10.346 1.00 0.00 H new ATOM 0 HG LEU A 11 7.932 -2.133 11.996 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.456 0.173 12.800 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.746 0.155 11.044 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.085 0.281 11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.410 -1.815 13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.021 -1.711 12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.934 -3.232 12.962 1.00 0.00 H new ATOM 168 N VAL A 12 6.393 -3.968 7.977 1.00 0.00 N ATOM 169 CA VAL A 12 5.744 -4.374 6.702 1.00 0.00 C ATOM 170 C VAL A 12 5.511 -5.885 6.689 1.00 0.00 C ATOM 171 O VAL A 12 4.591 -6.354 6.059 1.00 0.00 O ATOM 172 CB VAL A 12 6.626 -3.991 5.513 1.00 0.00 C ATOM 173 CG1 VAL A 12 5.823 -4.145 4.219 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.084 -2.536 5.657 1.00 0.00 C ATOM 0 H VAL A 12 7.336 -3.590 7.888 1.00 0.00 H new ATOM 0 HA VAL A 12 4.787 -3.857 6.623 1.00 0.00 H new ATOM 0 HB VAL A 12 7.499 -4.642 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.448 -3.873 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.497 -5.180 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.951 -3.492 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.712 -2.267 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.213 -1.882 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.653 -2.423 6.580 1.00 0.00 H new ATOM 184 N LYS A 13 6.336 -6.654 7.364 1.00 0.00 N ATOM 185 CA LYS A 13 6.141 -8.140 7.359 1.00 0.00 C ATOM 186 C LYS A 13 5.036 -8.533 8.356 1.00 0.00 C ATOM 187 O LYS A 13 4.315 -9.490 8.150 1.00 0.00 O ATOM 188 CB LYS A 13 7.485 -8.845 7.666 1.00 0.00 C ATOM 189 CG LYS A 13 7.829 -8.877 9.181 1.00 0.00 C ATOM 190 CD LYS A 13 7.873 -10.316 9.732 1.00 0.00 C ATOM 191 CE LYS A 13 6.457 -10.816 9.991 1.00 0.00 C ATOM 192 NZ LYS A 13 6.516 -12.146 10.659 1.00 0.00 N ATOM 0 H LYS A 13 7.128 -6.320 7.913 1.00 0.00 H new ATOM 0 HA LYS A 13 5.815 -8.467 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.447 -9.866 7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.286 -8.336 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.794 -8.397 9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.088 -8.300 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.375 -10.972 9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.452 -10.344 10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.918 -10.106 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.909 -10.893 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.750 -12.217 11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.406 -12.897 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.433 -12.254 11.137 1.00 0.00 H new ATOM 206 N GLU A 14 4.889 -7.791 9.424 1.00 0.00 N ATOM 207 CA GLU A 14 3.827 -8.113 10.426 1.00 0.00 C ATOM 208 C GLU A 14 2.471 -7.700 9.859 1.00 0.00 C ATOM 209 O GLU A 14 1.584 -8.512 9.680 1.00 0.00 O ATOM 210 CB GLU A 14 4.100 -7.344 11.724 1.00 0.00 C ATOM 211 CG GLU A 14 3.175 -7.849 12.838 1.00 0.00 C ATOM 212 CD GLU A 14 1.759 -7.315 12.612 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.548 -6.136 12.841 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.910 -8.096 12.214 1.00 0.00 O ATOM 0 H GLU A 14 5.459 -6.975 9.646 1.00 0.00 H new ATOM 0 HA GLU A 14 3.827 -9.182 10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.141 -7.471 12.019 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.942 -6.277 11.564 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.166 -8.939 12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.547 -7.522 13.809 1.00 0.00 H new ATOM 221 N VAL A 15 2.306 -6.444 9.551 1.00 0.00 N ATOM 222 CA VAL A 15 1.014 -5.980 8.967 1.00 0.00 C ATOM 223 C VAL A 15 0.591 -6.989 7.907 1.00 0.00 C ATOM 224 O VAL A 15 -0.557 -7.354 7.811 1.00 0.00 O ATOM 225 CB VAL A 15 1.193 -4.590 8.343 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.090 -4.686 7.107 1.00 0.00 C ATOM 227 CG2 VAL A 15 -0.176 -4.031 7.943 1.00 0.00 C ATOM 0 H VAL A 15 3.010 -5.717 9.678 1.00 0.00 H new ATOM 0 HA VAL A 15 0.248 -5.907 9.739 1.00 0.00 H new ATOM 0 HB VAL A 15 1.659 -3.926 9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.213 -3.696 6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.065 -5.079 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.632 -5.352 6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.050 -3.043 7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.643 -4.697 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.810 -3.954 8.826 1.00 0.00 H new ATOM 237 N THR A 16 1.536 -7.476 7.149 1.00 0.00 N ATOM 238 CA THR A 16 1.221 -8.499 6.124 1.00 0.00 C ATOM 239 C THR A 16 0.502 -9.677 6.794 1.00 0.00 C ATOM 240 O THR A 16 -0.499 -10.157 6.311 1.00 0.00 O ATOM 241 CB THR A 16 2.544 -8.971 5.492 1.00 0.00 C ATOM 242 OG1 THR A 16 3.599 -8.332 6.163 1.00 0.00 O ATOM 243 CG2 THR A 16 2.577 -8.599 4.006 1.00 0.00 C ATOM 0 H THR A 16 2.518 -7.204 7.200 1.00 0.00 H new ATOM 0 HA THR A 16 0.572 -8.086 5.351 1.00 0.00 H new ATOM 0 HB THR A 16 2.637 -10.053 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.773 -7.463 5.745 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.516 -8.937 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.744 -9.078 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.495 -7.517 3.900 1.00 0.00 H new ATOM 251 N LYS A 17 1.014 -10.152 7.901 1.00 0.00 N ATOM 252 CA LYS A 17 0.361 -11.303 8.591 1.00 0.00 C ATOM 253 C LYS A 17 -1.145 -11.048 8.681 1.00 0.00 C ATOM 254 O LYS A 17 -1.946 -11.952 8.550 1.00 0.00 O ATOM 255 CB LYS A 17 0.946 -11.468 10.003 1.00 0.00 C ATOM 256 CG LYS A 17 2.346 -12.110 9.928 1.00 0.00 C ATOM 257 CD LYS A 17 2.231 -13.640 9.925 1.00 0.00 C ATOM 258 CE LYS A 17 3.570 -14.251 9.509 1.00 0.00 C ATOM 259 NZ LYS A 17 4.646 -13.745 10.408 1.00 0.00 N ATOM 0 H LYS A 17 1.854 -9.793 8.355 1.00 0.00 H new ATOM 0 HA LYS A 17 0.544 -12.216 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.009 -10.497 10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.285 -12.089 10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.859 -11.775 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.948 -11.785 10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.949 -13.996 10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.446 -13.955 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.518 -15.338 9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.794 -13.993 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.541 -14.223 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.757 -12.720 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.391 -13.938 11.398 1.00 0.00 H new ATOM 273 N LEU A 18 -1.537 -9.819 8.893 1.00 0.00 N ATOM 274 CA LEU A 18 -2.998 -9.499 8.982 1.00 0.00 C ATOM 275 C LEU A 18 -3.506 -9.081 7.590 1.00 0.00 C ATOM 276 O LEU A 18 -4.613 -9.388 7.202 1.00 0.00 O ATOM 277 CB LEU A 18 -3.186 -8.393 10.059 1.00 0.00 C ATOM 278 CG LEU A 18 -3.514 -7.020 9.440 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.966 -7.010 8.901 1.00 0.00 C ATOM 280 CD2 LEU A 18 -3.332 -5.940 10.516 1.00 0.00 C ATOM 0 H LEU A 18 -0.911 -9.022 9.009 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.587 -10.364 9.287 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.988 -8.683 10.738 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.277 -8.312 10.655 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.843 -6.820 8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.186 -6.035 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.076 -7.781 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.659 -7.207 9.719 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.561 -4.962 10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.004 -6.140 11.350 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.301 -5.950 10.871 1.00 0.00 H new ATOM 292 N ILE A 19 -2.703 -8.396 6.836 1.00 0.00 N ATOM 293 CA ILE A 19 -3.122 -7.973 5.475 1.00 0.00 C ATOM 294 C ILE A 19 -3.114 -9.211 4.571 1.00 0.00 C ATOM 295 O ILE A 19 -3.644 -9.203 3.478 1.00 0.00 O ATOM 296 CB ILE A 19 -2.102 -6.910 4.996 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.728 -5.512 4.994 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.552 -7.203 3.595 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.635 -4.441 4.953 1.00 0.00 C ATOM 0 H ILE A 19 -1.763 -8.107 7.106 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.123 -7.543 5.457 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.274 -6.951 5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.387 -5.402 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.343 -5.380 5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.843 -6.425 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.049 -8.170 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.373 -7.223 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.094 -3.452 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.993 -4.542 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.038 -4.565 4.049 1.00 0.00 H new ATOM 311 N ASP A 20 -2.497 -10.268 5.024 1.00 0.00 N ATOM 312 CA ASP A 20 -2.424 -11.509 4.205 1.00 0.00 C ATOM 313 C ASP A 20 -3.792 -11.797 3.580 1.00 0.00 C ATOM 314 O ASP A 20 -3.930 -11.854 2.375 1.00 0.00 O ATOM 315 CB ASP A 20 -2.013 -12.682 5.096 1.00 0.00 C ATOM 316 CG ASP A 20 -1.798 -13.927 4.232 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.922 -13.892 3.385 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.515 -14.894 4.433 1.00 0.00 O ATOM 0 H ASP A 20 -2.037 -10.324 5.933 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.687 -11.376 3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.098 -12.439 5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.784 -12.873 5.843 1.00 0.00 H new ATOM 323 N ASN A 21 -4.809 -11.975 4.388 1.00 0.00 N ATOM 324 CA ASN A 21 -6.162 -12.254 3.825 1.00 0.00 C ATOM 325 C ASN A 21 -7.245 -11.944 4.849 1.00 0.00 C ATOM 326 O ASN A 21 -8.355 -12.429 4.755 1.00 0.00 O ATOM 327 CB ASN A 21 -6.261 -13.726 3.434 1.00 0.00 C ATOM 328 CG ASN A 21 -5.394 -14.001 2.205 1.00 0.00 C ATOM 329 OD1 ASN A 21 -5.870 -13.953 1.088 1.00 0.00 O ATOM 330 ND2 ASN A 21 -4.131 -14.290 2.364 1.00 0.00 N ATOM 0 H ASN A 21 -4.759 -11.939 5.406 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.306 -11.621 2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.938 -14.354 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.298 -13.986 3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.544 -14.475 1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.731 -14.330 3.301 1.00 0.00 H new ATOM 337 N ASN A 22 -6.949 -11.130 5.808 1.00 0.00 N ATOM 338 CA ASN A 22 -7.980 -10.785 6.810 1.00 0.00 C ATOM 339 C ASN A 22 -8.984 -9.870 6.127 1.00 0.00 C ATOM 340 O ASN A 22 -10.182 -10.038 6.246 1.00 0.00 O ATOM 341 CB ASN A 22 -7.316 -10.087 7.988 1.00 0.00 C ATOM 342 CG ASN A 22 -6.190 -10.979 8.522 1.00 0.00 C ATOM 343 OD1 ASN A 22 -6.024 -11.113 9.718 1.00 0.00 O ATOM 344 ND2 ASN A 22 -5.399 -11.600 7.678 1.00 0.00 N ATOM 0 H ASN A 22 -6.040 -10.688 5.943 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.488 -11.672 7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.917 -9.121 7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.047 -9.893 8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.647 -12.194 8.027 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.537 -11.489 6.674 1.00 0.00 H new ATOM 351 N LYS A 23 -8.493 -8.923 5.369 1.00 0.00 N ATOM 352 CA LYS A 23 -9.397 -8.005 4.617 1.00 0.00 C ATOM 353 C LYS A 23 -9.447 -8.500 3.161 1.00 0.00 C ATOM 354 O LYS A 23 -8.635 -9.305 2.749 1.00 0.00 O ATOM 355 CB LYS A 23 -8.849 -6.554 4.723 1.00 0.00 C ATOM 356 CG LYS A 23 -8.080 -6.115 3.455 1.00 0.00 C ATOM 357 CD LYS A 23 -6.927 -7.106 3.125 1.00 0.00 C ATOM 358 CE LYS A 23 -5.580 -6.429 3.355 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.353 -5.397 2.304 1.00 0.00 N ATOM 0 H LYS A 23 -7.497 -8.746 5.239 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.408 -8.001 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.678 -5.868 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.189 -6.481 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.767 -6.059 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.673 -5.115 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.009 -7.995 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.005 -7.437 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.557 -5.968 4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.781 -7.170 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.332 -5.241 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.760 -5.722 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.808 -4.506 2.588 1.00 0.00 H new ATOM 373 N THR A 24 -10.384 -8.029 2.387 1.00 0.00 N ATOM 374 CA THR A 24 -10.493 -8.463 0.957 1.00 0.00 C ATOM 375 C THR A 24 -10.567 -7.221 0.068 1.00 0.00 C ATOM 376 O THR A 24 -10.374 -6.115 0.527 1.00 0.00 O ATOM 377 CB THR A 24 -11.752 -9.315 0.777 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.855 -8.664 1.393 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.536 -10.686 1.427 1.00 0.00 C ATOM 0 H THR A 24 -11.089 -7.354 2.683 1.00 0.00 H new ATOM 0 HA THR A 24 -9.623 -9.058 0.679 1.00 0.00 H new ATOM 0 HB THR A 24 -11.956 -9.446 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.566 -9.316 1.563 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.432 -11.294 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.689 -11.184 0.954 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.333 -10.557 2.490 1.00 0.00 H new ATOM 387 N GLU A 25 -10.826 -7.387 -1.201 1.00 0.00 N ATOM 388 CA GLU A 25 -10.887 -6.201 -2.112 1.00 0.00 C ATOM 389 C GLU A 25 -12.283 -5.578 -2.081 1.00 0.00 C ATOM 390 O GLU A 25 -12.562 -4.635 -2.794 1.00 0.00 O ATOM 391 CB GLU A 25 -10.556 -6.632 -3.544 1.00 0.00 C ATOM 392 CG GLU A 25 -9.361 -7.594 -3.533 1.00 0.00 C ATOM 393 CD GLU A 25 -8.760 -7.682 -4.938 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.510 -7.549 -5.891 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.560 -7.883 -5.036 1.00 0.00 O ATOM 0 H GLU A 25 -10.998 -8.288 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.160 -5.463 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.421 -7.117 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.325 -5.758 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.608 -7.247 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.679 -8.582 -3.200 1.00 0.00 H new ATOM 402 N LYS A 26 -13.158 -6.080 -1.257 1.00 0.00 N ATOM 403 CA LYS A 26 -14.522 -5.493 -1.181 1.00 0.00 C ATOM 404 C LYS A 26 -14.475 -4.327 -0.204 1.00 0.00 C ATOM 405 O LYS A 26 -15.107 -3.305 -0.395 1.00 0.00 O ATOM 406 CB LYS A 26 -15.505 -6.554 -0.676 1.00 0.00 C ATOM 407 CG LYS A 26 -15.822 -7.552 -1.808 1.00 0.00 C ATOM 408 CD LYS A 26 -16.285 -8.898 -1.216 1.00 0.00 C ATOM 409 CE LYS A 26 -15.072 -9.779 -0.887 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.597 -10.449 -2.130 1.00 0.00 N ATOM 0 H LYS A 26 -12.988 -6.870 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.849 -5.150 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.079 -7.081 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.423 -6.078 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.599 -7.145 -2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.938 -7.704 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.872 -8.724 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.934 -9.411 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.273 -9.173 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.342 -10.524 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.613 -10.761 -2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.199 -11.273 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.647 -9.781 -2.925 1.00 0.00 H new ATOM 424 N GLU A 27 -13.706 -4.472 0.838 1.00 0.00 N ATOM 425 CA GLU A 27 -13.589 -3.381 1.836 1.00 0.00 C ATOM 426 C GLU A 27 -12.731 -2.258 1.253 1.00 0.00 C ATOM 427 O GLU A 27 -12.725 -1.150 1.748 1.00 0.00 O ATOM 428 CB GLU A 27 -12.923 -3.913 3.107 1.00 0.00 C ATOM 429 CG GLU A 27 -13.765 -5.044 3.703 1.00 0.00 C ATOM 430 CD GLU A 27 -15.086 -4.478 4.227 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.037 -3.584 5.055 1.00 0.00 O ATOM 432 OE2 GLU A 27 -16.123 -4.946 3.789 1.00 0.00 O ATOM 0 H GLU A 27 -13.152 -5.304 1.040 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.582 -3.004 2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.921 -4.276 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.812 -3.108 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.958 -5.805 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.219 -5.530 4.512 1.00 0.00 H new ATOM 439 N ILE A 28 -11.990 -2.540 0.214 1.00 0.00 N ATOM 440 CA ILE A 28 -11.117 -1.500 -0.391 1.00 0.00 C ATOM 441 C ILE A 28 -11.870 -0.731 -1.471 1.00 0.00 C ATOM 442 O ILE A 28 -12.223 0.418 -1.296 1.00 0.00 O ATOM 443 CB ILE A 28 -9.916 -2.177 -1.043 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.164 -3.043 -0.020 1.00 0.00 C ATOM 445 CG2 ILE A 28 -8.993 -1.104 -1.599 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.831 -2.231 1.231 1.00 0.00 C ATOM 0 H ILE A 28 -11.954 -3.452 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.801 -0.812 0.393 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.258 -2.826 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.772 -3.906 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.246 -3.427 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.129 -1.575 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.530 -0.510 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.658 -0.457 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.299 -2.862 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.203 -1.383 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.753 -1.869 1.686 1.00 0.00 H new ATOM 458 N LEU A 29 -12.094 -1.350 -2.599 1.00 0.00 N ATOM 459 CA LEU A 29 -12.800 -0.649 -3.707 1.00 0.00 C ATOM 460 C LEU A 29 -14.018 0.091 -3.149 1.00 0.00 C ATOM 461 O LEU A 29 -14.399 1.140 -3.635 1.00 0.00 O ATOM 462 CB LEU A 29 -13.244 -1.664 -4.768 1.00 0.00 C ATOM 463 CG LEU A 29 -12.046 -2.516 -5.213 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.534 -3.628 -6.146 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.021 -1.642 -5.952 1.00 0.00 C ATOM 0 H LEU A 29 -11.818 -2.311 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.123 0.070 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.027 -2.306 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.669 -1.143 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.572 -2.952 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.686 -4.235 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.252 -4.256 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.012 -3.186 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.176 -2.256 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.488 -1.197 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.670 -0.852 -5.288 1.00 0.00 H new ATOM 477 N ASP A 30 -14.613 -0.426 -2.110 1.00 0.00 N ATOM 478 CA ASP A 30 -15.779 0.276 -1.517 1.00 0.00 C ATOM 479 C ASP A 30 -15.261 1.508 -0.772 1.00 0.00 C ATOM 480 O ASP A 30 -15.743 2.611 -0.954 1.00 0.00 O ATOM 481 CB ASP A 30 -16.507 -0.660 -0.549 1.00 0.00 C ATOM 482 CG ASP A 30 -17.074 -1.852 -1.323 1.00 0.00 C ATOM 483 OD1 ASP A 30 -16.392 -2.334 -2.211 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.181 -2.261 -1.014 1.00 0.00 O ATOM 0 H ASP A 30 -14.344 -1.296 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.480 0.578 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.821 -1.007 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.311 -0.125 -0.044 1.00 0.00 H new ATOM 489 N ALA A 31 -14.262 1.332 0.054 1.00 0.00 N ATOM 490 CA ALA A 31 -13.695 2.492 0.797 1.00 0.00 C ATOM 491 C ALA A 31 -13.492 3.655 -0.166 1.00 0.00 C ATOM 492 O ALA A 31 -14.010 4.728 0.037 1.00 0.00 O ATOM 493 CB ALA A 31 -12.358 2.110 1.416 1.00 0.00 C ATOM 0 H ALA A 31 -13.816 0.435 0.245 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.385 2.783 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.950 2.964 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.501 1.278 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.664 1.814 0.629 1.00 0.00 H new ATOM 499 N PHE A 32 -12.757 3.456 -1.222 1.00 0.00 N ATOM 500 CA PHE A 32 -12.555 4.571 -2.187 1.00 0.00 C ATOM 501 C PHE A 32 -13.922 5.147 -2.562 1.00 0.00 C ATOM 502 O PHE A 32 -14.069 6.333 -2.779 1.00 0.00 O ATOM 503 CB PHE A 32 -11.835 4.054 -3.436 1.00 0.00 C ATOM 504 CG PHE A 32 -10.376 3.816 -3.111 1.00 0.00 C ATOM 505 CD1 PHE A 32 -9.484 4.896 -3.068 1.00 0.00 C ATOM 506 CD2 PHE A 32 -9.917 2.519 -2.852 1.00 0.00 C ATOM 507 CE1 PHE A 32 -8.134 4.677 -2.768 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.566 2.303 -2.554 1.00 0.00 C ATOM 509 CZ PHE A 32 -7.675 3.379 -2.512 1.00 0.00 C ATOM 0 H PHE A 32 -12.291 2.580 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.942 5.350 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.298 3.129 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.925 4.777 -4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.838 5.897 -3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.604 1.686 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.447 5.509 -2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.212 1.302 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.633 3.210 -2.282 1.00 0.00 H new ATOM 519 N ASP A 33 -14.935 4.323 -2.616 1.00 0.00 N ATOM 520 CA ASP A 33 -16.286 4.849 -2.949 1.00 0.00 C ATOM 521 C ASP A 33 -16.789 5.679 -1.764 1.00 0.00 C ATOM 522 O ASP A 33 -17.839 6.287 -1.819 1.00 0.00 O ATOM 523 CB ASP A 33 -17.248 3.687 -3.221 1.00 0.00 C ATOM 524 CG ASP A 33 -18.477 4.203 -3.973 1.00 0.00 C ATOM 525 OD1 ASP A 33 -19.388 4.686 -3.321 1.00 0.00 O ATOM 526 OD2 ASP A 33 -18.487 4.105 -5.189 1.00 0.00 O ATOM 0 H ASP A 33 -14.884 3.319 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.234 5.470 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.747 2.917 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.551 3.225 -2.281 1.00 0.00 H new ATOM 531 N LYS A 34 -16.035 5.695 -0.689 1.00 0.00 N ATOM 532 CA LYS A 34 -16.434 6.479 0.530 1.00 0.00 C ATOM 533 C LYS A 34 -15.528 7.708 0.689 1.00 0.00 C ATOM 534 O LYS A 34 -15.971 8.835 0.575 1.00 0.00 O ATOM 535 CB LYS A 34 -16.277 5.604 1.781 1.00 0.00 C ATOM 536 CG LYS A 34 -17.102 4.324 1.632 1.00 0.00 C ATOM 537 CD LYS A 34 -16.849 3.389 2.839 1.00 0.00 C ATOM 538 CE LYS A 34 -17.006 1.923 2.421 1.00 0.00 C ATOM 539 NZ LYS A 34 -18.430 1.653 2.072 1.00 0.00 N ATOM 0 H LYS A 34 -15.151 5.194 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.471 6.794 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.227 5.354 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.602 6.155 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.162 4.570 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.836 3.816 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.846 3.556 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.549 3.622 3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.364 1.707 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.689 1.267 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.556 0.637 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.042 1.939 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.688 2.194 1.222 1.00 0.00 H new ATOM 553 N MET A 35 -14.267 7.503 0.973 1.00 0.00 N ATOM 554 CA MET A 35 -13.343 8.666 1.162 1.00 0.00 C ATOM 555 C MET A 35 -13.221 9.419 -0.159 1.00 0.00 C ATOM 556 O MET A 35 -13.342 10.623 -0.215 1.00 0.00 O ATOM 557 CB MET A 35 -11.933 8.204 1.589 1.00 0.00 C ATOM 558 CG MET A 35 -11.992 7.056 2.617 1.00 0.00 C ATOM 559 SD MET A 35 -10.528 6.001 2.415 1.00 0.00 S ATOM 560 CE MET A 35 -10.931 5.356 0.767 1.00 0.00 C ATOM 0 H MET A 35 -13.837 6.585 1.082 1.00 0.00 H new ATOM 0 HA MET A 35 -13.754 9.303 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 35 -11.376 7.877 0.711 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.389 9.046 2.016 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.028 7.459 3.629 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.900 6.470 2.475 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.861 4.268 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.945 5.652 0.498 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.230 5.760 0.037 1.00 0.00 H new ATOM 570 N CYS A 36 -12.972 8.713 -1.222 1.00 0.00 N ATOM 571 CA CYS A 36 -12.835 9.383 -2.538 1.00 0.00 C ATOM 572 C CYS A 36 -14.236 9.774 -3.028 1.00 0.00 C ATOM 573 O CYS A 36 -14.445 10.072 -4.187 1.00 0.00 O ATOM 574 CB CYS A 36 -12.133 8.413 -3.518 1.00 0.00 C ATOM 575 SG CYS A 36 -10.480 9.039 -3.930 1.00 0.00 S ATOM 0 H CYS A 36 -12.857 7.700 -1.235 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.230 10.287 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.055 7.423 -3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.727 8.306 -4.425 1.00 0.00 H new ATOM 580 N SER A 37 -15.193 9.787 -2.133 1.00 0.00 N ATOM 581 CA SER A 37 -16.584 10.171 -2.511 1.00 0.00 C ATOM 582 C SER A 37 -16.734 11.688 -2.363 1.00 0.00 C ATOM 583 O SER A 37 -17.157 12.376 -3.271 1.00 0.00 O ATOM 584 CB SER A 37 -17.577 9.463 -1.582 1.00 0.00 C ATOM 585 OG SER A 37 -18.844 9.385 -2.221 1.00 0.00 O ATOM 0 H SER A 37 -15.067 9.546 -1.150 1.00 0.00 H new ATOM 0 HA SER A 37 -16.785 9.879 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.217 8.463 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.664 10.007 -0.641 1.00 0.00 H new ATOM 0 HG SER A 37 -19.481 8.931 -1.630 1.00 0.00 H new ATOM 591 N LYS A 38 -16.375 12.209 -1.221 1.00 0.00 N ATOM 592 CA LYS A 38 -16.478 13.677 -0.997 1.00 0.00 C ATOM 593 C LYS A 38 -15.496 14.392 -1.925 1.00 0.00 C ATOM 594 O LYS A 38 -15.643 15.560 -2.225 1.00 0.00 O ATOM 595 CB LYS A 38 -16.126 13.992 0.463 1.00 0.00 C ATOM 596 CG LYS A 38 -14.719 13.468 0.780 1.00 0.00 C ATOM 597 CD LYS A 38 -14.533 13.352 2.295 1.00 0.00 C ATOM 598 CE LYS A 38 -13.058 13.088 2.608 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.234 14.226 2.113 1.00 0.00 N ATOM 0 H LYS A 38 -16.013 11.677 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.493 14.015 -1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.171 15.068 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.855 13.532 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.570 12.495 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.969 14.141 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.861 14.269 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.150 12.543 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.919 12.965 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.736 12.160 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.375 14.311 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.968 14.056 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.784 15.107 2.178 1.00 0.00 H new ATOM 613 N LEU A 39 -14.495 13.692 -2.384 1.00 0.00 N ATOM 614 CA LEU A 39 -13.497 14.325 -3.300 1.00 0.00 C ATOM 615 C LEU A 39 -14.273 15.014 -4.449 1.00 0.00 C ATOM 616 O LEU A 39 -15.228 14.446 -4.940 1.00 0.00 O ATOM 617 CB LEU A 39 -12.560 13.222 -3.896 1.00 0.00 C ATOM 618 CG LEU A 39 -11.058 13.489 -3.577 1.00 0.00 C ATOM 619 CD1 LEU A 39 -10.611 12.672 -2.356 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.203 13.099 -4.788 1.00 0.00 C ATOM 0 H LEU A 39 -14.323 12.710 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.891 15.051 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.847 12.249 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.697 13.176 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.931 14.549 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.560 12.872 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.211 12.953 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.745 11.610 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.152 13.285 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.346 12.041 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.503 13.693 -5.651 1.00 0.00 H new ATOM 632 N PRO A 40 -13.852 16.190 -4.882 1.00 0.00 N ATOM 633 CA PRO A 40 -14.539 16.856 -5.995 1.00 0.00 C ATOM 634 C PRO A 40 -14.596 15.885 -7.180 1.00 0.00 C ATOM 635 O PRO A 40 -13.613 15.256 -7.516 1.00 0.00 O ATOM 636 CB PRO A 40 -13.677 18.102 -6.310 1.00 0.00 C ATOM 637 CG PRO A 40 -12.528 18.152 -5.265 1.00 0.00 C ATOM 638 CD PRO A 40 -12.700 16.936 -4.331 1.00 0.00 C ATOM 0 HA PRO A 40 -15.564 17.149 -5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.273 18.043 -7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.281 19.008 -6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.557 18.121 -5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.567 19.081 -4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.801 16.320 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.888 17.250 -3.304 1.00 0.00 H new ATOM 646 N LYS A 41 -15.740 15.750 -7.796 1.00 0.00 N ATOM 647 CA LYS A 41 -15.888 14.812 -8.950 1.00 0.00 C ATOM 648 C LYS A 41 -14.641 14.829 -9.831 1.00 0.00 C ATOM 649 O LYS A 41 -14.160 13.805 -10.275 1.00 0.00 O ATOM 650 CB LYS A 41 -17.082 15.253 -9.781 1.00 0.00 C ATOM 651 CG LYS A 41 -17.368 14.213 -10.861 1.00 0.00 C ATOM 652 CD LYS A 41 -18.685 14.568 -11.583 1.00 0.00 C ATOM 653 CE LYS A 41 -18.606 14.136 -13.047 1.00 0.00 C ATOM 654 NZ LYS A 41 -19.901 14.428 -13.726 1.00 0.00 N ATOM 0 H LYS A 41 -16.590 16.256 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.030 13.801 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.956 15.378 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.881 16.221 -10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.546 14.181 -11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.441 13.221 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.524 14.073 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.867 15.641 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.794 14.663 -13.549 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.383 13.071 -13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.845 14.133 -14.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.666 13.906 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.096 15.448 -13.677 1.00 0.00 H new ATOM 668 N SER A 42 -14.124 15.987 -10.087 1.00 0.00 N ATOM 669 CA SER A 42 -12.913 16.099 -10.943 1.00 0.00 C ATOM 670 C SER A 42 -11.813 15.181 -10.415 1.00 0.00 C ATOM 671 O SER A 42 -11.364 14.271 -11.087 1.00 0.00 O ATOM 672 CB SER A 42 -12.409 17.535 -10.889 1.00 0.00 C ATOM 673 OG SER A 42 -13.377 18.399 -11.471 1.00 0.00 O ATOM 0 H SER A 42 -14.489 16.874 -9.738 1.00 0.00 H new ATOM 0 HA SER A 42 -13.166 15.815 -11.964 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.220 17.827 -9.856 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.462 17.620 -11.423 1.00 0.00 H new ATOM 0 HG SER A 42 -13.054 19.324 -11.435 1.00 0.00 H new ATOM 679 N LEU A 43 -11.366 15.424 -9.218 1.00 0.00 N ATOM 680 CA LEU A 43 -10.285 14.586 -8.644 1.00 0.00 C ATOM 681 C LEU A 43 -10.874 13.275 -8.117 1.00 0.00 C ATOM 682 O LEU A 43 -10.152 12.391 -7.707 1.00 0.00 O ATOM 683 CB LEU A 43 -9.614 15.334 -7.489 1.00 0.00 C ATOM 684 CG LEU A 43 -8.839 16.566 -7.990 1.00 0.00 C ATOM 685 CD1 LEU A 43 -7.768 16.162 -9.018 1.00 0.00 C ATOM 686 CD2 LEU A 43 -9.811 17.583 -8.610 1.00 0.00 C ATOM 0 H LEU A 43 -11.705 16.170 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.549 14.371 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.370 15.646 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.933 14.662 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.337 17.024 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.235 17.050 -9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.064 15.470 -8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.246 15.679 -9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.254 18.451 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.333 17.123 -9.449 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.536 17.897 -7.860 1.00 0.00 H new ATOM 698 N SER A 44 -12.173 13.122 -8.134 1.00 0.00 N ATOM 699 CA SER A 44 -12.768 11.852 -7.646 1.00 0.00 C ATOM 700 C SER A 44 -12.685 10.880 -8.802 1.00 0.00 C ATOM 701 O SER A 44 -12.659 9.677 -8.635 1.00 0.00 O ATOM 702 CB SER A 44 -14.233 12.070 -7.241 1.00 0.00 C ATOM 703 OG SER A 44 -15.088 11.706 -8.318 1.00 0.00 O ATOM 0 H SER A 44 -12.840 13.820 -8.463 1.00 0.00 H new ATOM 0 HA SER A 44 -12.241 11.477 -6.769 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.469 11.474 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.395 13.114 -6.973 1.00 0.00 H new ATOM 0 HG SER A 44 -14.851 12.226 -9.114 1.00 0.00 H new ATOM 709 N GLU A 45 -12.616 11.419 -9.986 1.00 0.00 N ATOM 710 CA GLU A 45 -12.505 10.568 -11.186 1.00 0.00 C ATOM 711 C GLU A 45 -11.034 10.203 -11.369 1.00 0.00 C ATOM 712 O GLU A 45 -10.697 9.141 -11.854 1.00 0.00 O ATOM 713 CB GLU A 45 -13.006 11.332 -12.412 1.00 0.00 C ATOM 714 CG GLU A 45 -14.533 11.424 -12.370 1.00 0.00 C ATOM 715 CD GLU A 45 -15.023 12.317 -13.511 1.00 0.00 C ATOM 716 OE1 GLU A 45 -14.974 13.526 -13.352 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.438 11.778 -14.524 1.00 0.00 O ATOM 0 H GLU A 45 -12.632 12.422 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.108 9.667 -11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.572 12.332 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.687 10.827 -13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.970 10.430 -12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.857 11.830 -11.412 1.00 0.00 H new ATOM 724 N GLU A 46 -10.156 11.087 -10.975 1.00 0.00 N ATOM 725 CA GLU A 46 -8.698 10.815 -11.112 1.00 0.00 C ATOM 726 C GLU A 46 -8.212 9.962 -9.936 1.00 0.00 C ATOM 727 O GLU A 46 -7.304 9.167 -10.074 1.00 0.00 O ATOM 728 CB GLU A 46 -7.933 12.140 -11.129 1.00 0.00 C ATOM 729 CG GLU A 46 -8.418 12.996 -12.301 1.00 0.00 C ATOM 730 CD GLU A 46 -7.552 14.252 -12.407 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.001 14.656 -11.396 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.452 14.789 -13.499 1.00 0.00 O ATOM 0 H GLU A 46 -10.389 11.990 -10.562 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.521 10.276 -12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.085 12.672 -10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.863 11.953 -11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.365 12.426 -13.228 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.462 13.272 -12.156 1.00 0.00 H new ATOM 739 N CYS A 47 -8.801 10.115 -8.777 1.00 0.00 N ATOM 740 CA CYS A 47 -8.352 9.300 -7.611 1.00 0.00 C ATOM 741 C CYS A 47 -8.900 7.879 -7.757 1.00 0.00 C ATOM 742 O CYS A 47 -8.311 6.919 -7.297 1.00 0.00 O ATOM 743 CB CYS A 47 -8.840 9.936 -6.299 1.00 0.00 C ATOM 744 SG CYS A 47 -10.538 9.422 -5.914 1.00 0.00 S ATOM 0 H CYS A 47 -9.566 10.763 -8.590 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.263 9.265 -7.585 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.176 9.649 -5.483 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.795 11.022 -6.379 1.00 0.00 H new ATOM 749 N GLN A 48 -10.011 7.738 -8.426 1.00 0.00 N ATOM 750 CA GLN A 48 -10.592 6.392 -8.638 1.00 0.00 C ATOM 751 C GLN A 48 -9.917 5.807 -9.864 1.00 0.00 C ATOM 752 O GLN A 48 -9.932 4.614 -10.098 1.00 0.00 O ATOM 753 CB GLN A 48 -12.099 6.517 -8.883 1.00 0.00 C ATOM 754 CG GLN A 48 -12.824 6.720 -7.551 1.00 0.00 C ATOM 755 CD GLN A 48 -12.910 5.388 -6.802 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.253 4.431 -7.163 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.699 5.284 -5.767 1.00 0.00 N ATOM 0 H GLN A 48 -10.542 8.506 -8.836 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.437 5.754 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.300 7.356 -9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.472 5.620 -9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.294 7.455 -6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.825 7.114 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.251 6.087 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -13.764 4.400 -5.262 1.00 0.00 H new ATOM 766 N GLU A 49 -9.308 6.655 -10.645 1.00 0.00 N ATOM 767 CA GLU A 49 -8.615 6.177 -11.855 1.00 0.00 C ATOM 768 C GLU A 49 -7.401 5.354 -11.427 1.00 0.00 C ATOM 769 O GLU A 49 -7.183 4.254 -11.898 1.00 0.00 O ATOM 770 CB GLU A 49 -8.159 7.374 -12.694 1.00 0.00 C ATOM 771 CG GLU A 49 -7.418 6.874 -13.932 1.00 0.00 C ATOM 772 CD GLU A 49 -7.127 8.051 -14.865 1.00 0.00 C ATOM 773 OE1 GLU A 49 -6.551 9.021 -14.400 1.00 0.00 O ATOM 774 OE2 GLU A 49 -7.485 7.963 -16.028 1.00 0.00 O ATOM 0 H GLU A 49 -9.265 7.662 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.288 5.563 -12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.020 7.974 -12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.509 8.019 -12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.486 6.389 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.018 6.126 -14.450 1.00 0.00 H new ATOM 781 N VAL A 50 -6.610 5.875 -10.526 1.00 0.00 N ATOM 782 CA VAL A 50 -5.421 5.113 -10.068 1.00 0.00 C ATOM 783 C VAL A 50 -5.883 3.871 -9.311 1.00 0.00 C ATOM 784 O VAL A 50 -5.327 2.810 -9.466 1.00 0.00 O ATOM 785 CB VAL A 50 -4.554 5.969 -9.152 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.272 5.198 -8.826 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.202 7.280 -9.859 1.00 0.00 C ATOM 0 H VAL A 50 -6.738 6.789 -10.092 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.831 4.825 -10.938 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.094 6.195 -8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.642 5.800 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.527 4.263 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.733 4.981 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.582 7.892 -9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.656 7.063 -10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.117 7.820 -10.101 1.00 0.00 H new ATOM 797 N VAL A 51 -6.911 3.988 -8.503 1.00 0.00 N ATOM 798 CA VAL A 51 -7.420 2.791 -7.756 1.00 0.00 C ATOM 799 C VAL A 51 -7.530 1.627 -8.740 1.00 0.00 C ATOM 800 O VAL A 51 -7.023 0.549 -8.500 1.00 0.00 O ATOM 801 CB VAL A 51 -8.798 3.128 -7.167 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.485 1.861 -6.655 1.00 0.00 C ATOM 803 CG2 VAL A 51 -8.628 4.116 -6.009 1.00 0.00 C ATOM 0 H VAL A 51 -7.418 4.856 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.746 2.517 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.415 3.573 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.460 2.118 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.614 1.159 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.871 1.402 -5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.605 4.357 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.002 3.668 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.156 5.028 -6.375 1.00 0.00 H new ATOM 813 N ASP A 52 -8.152 1.847 -9.868 1.00 0.00 N ATOM 814 CA ASP A 52 -8.242 0.761 -10.877 1.00 0.00 C ATOM 815 C ASP A 52 -6.818 0.291 -11.167 1.00 0.00 C ATOM 816 O ASP A 52 -6.562 -0.880 -11.371 1.00 0.00 O ATOM 817 CB ASP A 52 -8.884 1.296 -12.158 1.00 0.00 C ATOM 818 CG ASP A 52 -10.328 1.711 -11.872 1.00 0.00 C ATOM 819 OD1 ASP A 52 -10.953 1.074 -11.039 1.00 0.00 O ATOM 820 OD2 ASP A 52 -10.785 2.658 -12.489 1.00 0.00 O ATOM 0 H ASP A 52 -8.598 2.726 -10.130 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.852 -0.063 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.317 2.148 -12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.861 0.532 -12.935 1.00 0.00 H new ATOM 825 N THR A 53 -5.881 1.207 -11.156 1.00 0.00 N ATOM 826 CA THR A 53 -4.460 0.833 -11.396 1.00 0.00 C ATOM 827 C THR A 53 -3.858 0.309 -10.090 1.00 0.00 C ATOM 828 O THR A 53 -2.893 -0.429 -10.092 1.00 0.00 O ATOM 829 CB THR A 53 -3.682 2.037 -11.938 1.00 0.00 C ATOM 830 OG1 THR A 53 -4.248 2.430 -13.182 1.00 0.00 O ATOM 831 CG2 THR A 53 -2.213 1.659 -12.152 1.00 0.00 C ATOM 0 H THR A 53 -6.044 2.200 -10.990 1.00 0.00 H new ATOM 0 HA THR A 53 -4.399 0.045 -12.146 1.00 0.00 H new ATOM 0 HB THR A 53 -3.740 2.857 -11.222 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.757 3.201 -13.536 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.668 2.521 -12.537 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.776 1.347 -11.203 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.149 0.839 -12.868 1.00 0.00 H new ATOM 839 N TYR A 54 -4.441 0.673 -8.973 1.00 0.00 N ATOM 840 CA TYR A 54 -3.940 0.198 -7.647 1.00 0.00 C ATOM 841 C TYR A 54 -5.122 -0.339 -6.848 1.00 0.00 C ATOM 842 O TYR A 54 -5.548 0.261 -5.881 1.00 0.00 O ATOM 843 CB TYR A 54 -3.321 1.349 -6.862 1.00 0.00 C ATOM 844 CG TYR A 54 -2.018 1.755 -7.498 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.037 2.371 -8.738 1.00 0.00 C ATOM 846 CD2 TYR A 54 -0.807 1.542 -6.837 1.00 0.00 C ATOM 847 CE1 TYR A 54 -0.852 2.789 -9.340 1.00 0.00 C ATOM 848 CE2 TYR A 54 0.392 1.950 -7.433 1.00 0.00 C ATOM 849 CZ TYR A 54 0.371 2.578 -8.688 1.00 0.00 C ATOM 850 OH TYR A 54 1.550 2.989 -9.276 1.00 0.00 O ATOM 0 H TYR A 54 -5.254 1.287 -8.925 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.186 -0.573 -7.810 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.006 2.197 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.154 1.048 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.979 2.529 -9.243 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.795 1.064 -5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.876 3.274 -10.305 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.332 1.782 -6.928 1.00 0.00 H new ATOM 0 HH TYR A 54 2.303 2.767 -8.689 1.00 0.00 H new ATOM 860 N GLY A 55 -5.665 -1.455 -7.249 1.00 0.00 N ATOM 861 CA GLY A 55 -6.833 -2.037 -6.519 1.00 0.00 C ATOM 862 C GLY A 55 -6.661 -3.548 -6.386 1.00 0.00 C ATOM 863 O GLY A 55 -6.554 -4.071 -5.305 1.00 0.00 O ATOM 0 H GLY A 55 -5.350 -1.994 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.919 -1.584 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.756 -1.813 -7.054 1.00 0.00 H new ATOM 867 N SER A 56 -6.652 -4.266 -7.470 1.00 0.00 N ATOM 868 CA SER A 56 -6.498 -5.748 -7.369 1.00 0.00 C ATOM 869 C SER A 56 -5.012 -6.116 -7.254 1.00 0.00 C ATOM 870 O SER A 56 -4.669 -7.212 -6.860 1.00 0.00 O ATOM 871 CB SER A 56 -7.094 -6.411 -8.610 1.00 0.00 C ATOM 872 OG SER A 56 -6.440 -7.652 -8.839 1.00 0.00 O ATOM 0 H SER A 56 -6.744 -3.899 -8.417 1.00 0.00 H new ATOM 0 HA SER A 56 -7.022 -6.100 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.164 -6.570 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.977 -5.760 -9.476 1.00 0.00 H new ATOM 0 HG SER A 56 -6.821 -8.081 -9.634 1.00 0.00 H new ATOM 878 N SER A 57 -4.124 -5.207 -7.574 1.00 0.00 N ATOM 879 CA SER A 57 -2.664 -5.516 -7.458 1.00 0.00 C ATOM 880 C SER A 57 -2.199 -5.090 -6.076 1.00 0.00 C ATOM 881 O SER A 57 -1.948 -5.913 -5.230 1.00 0.00 O ATOM 882 CB SER A 57 -1.862 -4.750 -8.513 1.00 0.00 C ATOM 883 OG SER A 57 -2.170 -5.261 -9.803 1.00 0.00 O ATOM 0 H SER A 57 -4.345 -4.269 -7.909 1.00 0.00 H new ATOM 0 HA SER A 57 -2.507 -6.583 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.099 -3.687 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.794 -4.848 -8.316 1.00 0.00 H new ATOM 0 HG SER A 57 -1.659 -4.770 -10.480 1.00 0.00 H new ATOM 889 N ILE A 58 -2.105 -3.800 -5.849 1.00 0.00 N ATOM 890 CA ILE A 58 -1.673 -3.256 -4.518 1.00 0.00 C ATOM 891 C ILE A 58 -2.041 -4.227 -3.398 1.00 0.00 C ATOM 892 O ILE A 58 -1.252 -4.521 -2.525 1.00 0.00 O ATOM 893 CB ILE A 58 -2.397 -1.926 -4.306 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.936 -1.258 -2.999 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.909 -2.150 -4.250 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.873 -0.084 -2.674 1.00 0.00 C ATOM 0 H ILE A 58 -2.314 -3.085 -6.546 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.592 -3.118 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.155 -1.273 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.944 -1.982 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.910 -0.903 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.413 -1.195 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.246 -2.594 -5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.147 -2.821 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.551 0.393 -1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.842 0.642 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.892 -0.453 -2.556 1.00 0.00 H new ATOM 908 N LEU A 59 -3.234 -4.733 -3.430 1.00 0.00 N ATOM 909 CA LEU A 59 -3.650 -5.702 -2.373 1.00 0.00 C ATOM 910 C LEU A 59 -3.050 -7.082 -2.680 1.00 0.00 C ATOM 911 O LEU A 59 -2.524 -7.748 -1.813 1.00 0.00 O ATOM 912 CB LEU A 59 -5.183 -5.856 -2.319 1.00 0.00 C ATOM 913 CG LEU A 59 -5.866 -4.505 -2.469 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.367 -4.715 -2.655 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.603 -3.640 -1.231 1.00 0.00 C ATOM 0 H LEU A 59 -3.941 -4.524 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.294 -5.319 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.514 -6.526 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.474 -6.313 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.463 -3.992 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.859 -3.748 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.543 -5.313 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.772 -5.234 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.097 -2.675 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.995 -4.142 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.530 -3.487 -1.116 1.00 0.00 H new ATOM 927 N SER A 60 -3.166 -7.522 -3.909 1.00 0.00 N ATOM 928 CA SER A 60 -2.648 -8.874 -4.290 1.00 0.00 C ATOM 929 C SER A 60 -1.139 -8.840 -4.550 1.00 0.00 C ATOM 930 O SER A 60 -0.550 -9.835 -4.927 1.00 0.00 O ATOM 931 CB SER A 60 -3.361 -9.341 -5.559 1.00 0.00 C ATOM 932 OG SER A 60 -3.142 -10.735 -5.735 1.00 0.00 O ATOM 0 H SER A 60 -3.600 -6.999 -4.670 1.00 0.00 H new ATOM 0 HA SER A 60 -2.839 -9.560 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.429 -9.135 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.988 -8.791 -6.423 1.00 0.00 H new ATOM 0 HG SER A 60 -2.207 -10.947 -5.534 1.00 0.00 H new ATOM 938 N ILE A 61 -0.511 -7.708 -4.383 1.00 0.00 N ATOM 939 CA ILE A 61 0.957 -7.603 -4.653 1.00 0.00 C ATOM 940 C ILE A 61 1.752 -7.781 -3.344 1.00 0.00 C ATOM 941 O ILE A 61 2.501 -8.726 -3.218 1.00 0.00 O ATOM 942 CB ILE A 61 1.202 -6.240 -5.355 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.324 -6.342 -6.397 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.539 -5.129 -4.370 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.680 -6.494 -5.708 1.00 0.00 C ATOM 0 H ILE A 61 -0.953 -6.844 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 61 1.309 -8.395 -5.314 1.00 0.00 H new ATOM 0 HB ILE A 61 0.265 -5.987 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.144 -7.195 -7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.327 -5.452 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.701 -4.198 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.714 -5.002 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.444 -5.391 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.465 -6.565 -6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.864 -5.628 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.679 -7.398 -5.099 1.00 0.00 H new ATOM 957 N LEU A 62 1.606 -6.906 -2.378 1.00 0.00 N ATOM 958 CA LEU A 62 2.362 -7.052 -1.097 1.00 0.00 C ATOM 959 C LEU A 62 2.191 -8.463 -0.519 1.00 0.00 C ATOM 960 O LEU A 62 2.704 -8.769 0.539 1.00 0.00 O ATOM 961 CB LEU A 62 1.859 -6.006 -0.080 1.00 0.00 C ATOM 962 CG LEU A 62 2.564 -4.636 -0.317 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.842 -3.784 -1.383 1.00 0.00 C ATOM 964 CD2 LEU A 62 2.639 -3.869 1.012 1.00 0.00 C ATOM 0 H LEU A 62 0.992 -6.093 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 62 3.421 -6.890 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.779 -5.888 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.055 -6.352 0.935 1.00 0.00 H new ATOM 0 HG LEU A 62 3.568 -4.834 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.370 -2.839 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.825 -4.324 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.820 -3.587 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.131 -2.910 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.631 -3.700 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.207 -4.452 1.737 1.00 0.00 H new ATOM 976 N LEU A 63 1.469 -9.324 -1.184 1.00 0.00 N ATOM 977 CA LEU A 63 1.265 -10.698 -0.651 1.00 0.00 C ATOM 978 C LEU A 63 2.321 -11.667 -1.205 1.00 0.00 C ATOM 979 O LEU A 63 2.975 -12.368 -0.459 1.00 0.00 O ATOM 980 CB LEU A 63 -0.122 -11.208 -1.072 1.00 0.00 C ATOM 981 CG LEU A 63 -1.157 -10.067 -1.134 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.563 -10.682 -1.164 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.037 -9.120 0.081 1.00 0.00 C ATOM 0 H LEU A 63 1.011 -9.133 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 63 1.351 -10.655 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.052 -11.688 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.460 -11.967 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.971 -9.479 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.307 -9.887 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.662 -11.321 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.720 -11.276 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.783 -8.329 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.203 -9.683 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.041 -8.678 0.101 1.00 0.00 H new ATOM 995 N GLU A 64 2.445 -11.759 -2.513 1.00 0.00 N ATOM 996 CA GLU A 64 3.408 -12.742 -3.118 1.00 0.00 C ATOM 997 C GLU A 64 4.301 -12.099 -4.178 1.00 0.00 C ATOM 998 O GLU A 64 5.512 -12.183 -4.107 1.00 0.00 O ATOM 999 CB GLU A 64 2.596 -13.838 -3.799 1.00 0.00 C ATOM 1000 CG GLU A 64 1.769 -14.589 -2.754 1.00 0.00 C ATOM 1001 CD GLU A 64 2.699 -15.403 -1.852 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.429 -16.228 -2.377 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.666 -15.187 -0.652 1.00 0.00 O ATOM 0 H GLU A 64 1.922 -11.197 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 64 4.044 -13.126 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.940 -13.403 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.261 -14.529 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.192 -13.883 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.054 -15.249 -3.246 1.00 0.00 H new ATOM 1010 N GLU A 65 3.719 -11.499 -5.183 1.00 0.00 N ATOM 1011 CA GLU A 65 4.538 -10.889 -6.277 1.00 0.00 C ATOM 1012 C GLU A 65 5.710 -10.118 -5.690 1.00 0.00 C ATOM 1013 O GLU A 65 6.670 -9.801 -6.364 1.00 0.00 O ATOM 1014 CB GLU A 65 3.670 -9.950 -7.117 1.00 0.00 C ATOM 1015 CG GLU A 65 2.348 -10.638 -7.462 1.00 0.00 C ATOM 1016 CD GLU A 65 2.630 -11.991 -8.121 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.817 -12.953 -7.395 1.00 0.00 O ATOM 1018 OE2 GLU A 65 2.653 -12.040 -9.339 1.00 0.00 O ATOM 0 H GLU A 65 2.710 -11.404 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 65 4.923 -11.687 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.478 -9.028 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.196 -9.673 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.753 -10.779 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.764 -10.009 -8.134 1.00 0.00 H new ATOM 1025 N VAL A 66 5.632 -9.820 -4.437 1.00 0.00 N ATOM 1026 CA VAL A 66 6.729 -9.066 -3.768 1.00 0.00 C ATOM 1027 C VAL A 66 6.798 -9.473 -2.288 1.00 0.00 C ATOM 1028 O VAL A 66 5.819 -9.907 -1.713 1.00 0.00 O ATOM 1029 CB VAL A 66 6.413 -7.571 -3.898 1.00 0.00 C ATOM 1030 CG1 VAL A 66 5.354 -7.177 -2.875 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.681 -6.734 -3.684 1.00 0.00 C ATOM 0 H VAL A 66 4.848 -10.066 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 66 7.692 -9.285 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 66 6.034 -7.379 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.133 -6.114 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.446 -7.754 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.725 -7.381 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.439 -5.676 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.080 -6.926 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.426 -7.005 -4.432 1.00 0.00 H new ATOM 1041 N SER A 67 7.935 -9.312 -1.659 1.00 0.00 N ATOM 1042 CA SER A 67 8.052 -9.664 -0.209 1.00 0.00 C ATOM 1043 C SER A 67 7.864 -8.370 0.603 1.00 0.00 C ATOM 1044 O SER A 67 8.159 -7.307 0.100 1.00 0.00 O ATOM 1045 CB SER A 67 9.442 -10.251 0.066 1.00 0.00 C ATOM 1046 OG SER A 67 9.867 -9.867 1.367 1.00 0.00 O ATOM 0 H SER A 67 8.788 -8.952 -2.086 1.00 0.00 H new ATOM 0 HA SER A 67 7.300 -10.402 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.412 -11.338 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.153 -9.897 -0.680 1.00 0.00 H new ATOM 0 HG SER A 67 10.755 -10.242 1.545 1.00 0.00 H new ATOM 1052 N PRO A 68 7.379 -8.468 1.823 1.00 0.00 N ATOM 1053 CA PRO A 68 7.163 -7.266 2.651 1.00 0.00 C ATOM 1054 C PRO A 68 8.476 -6.487 2.821 1.00 0.00 C ATOM 1055 O PRO A 68 8.471 -5.307 3.115 1.00 0.00 O ATOM 1056 CB PRO A 68 6.645 -7.803 4.006 1.00 0.00 C ATOM 1057 CG PRO A 68 6.686 -9.357 3.935 1.00 0.00 C ATOM 1058 CD PRO A 68 7.021 -9.744 2.480 1.00 0.00 C ATOM 0 HA PRO A 68 6.455 -6.571 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.265 -7.439 4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.630 -7.454 4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.436 -9.753 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.727 -9.780 4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.846 -10.455 2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.169 -10.216 1.990 1.00 0.00 H new ATOM 1066 N GLU A 69 9.602 -7.130 2.650 1.00 0.00 N ATOM 1067 CA GLU A 69 10.898 -6.410 2.819 1.00 0.00 C ATOM 1068 C GLU A 69 11.248 -5.654 1.536 1.00 0.00 C ATOM 1069 O GLU A 69 11.515 -4.469 1.565 1.00 0.00 O ATOM 1070 CB GLU A 69 12.008 -7.412 3.162 1.00 0.00 C ATOM 1071 CG GLU A 69 13.359 -6.692 3.192 1.00 0.00 C ATOM 1072 CD GLU A 69 14.414 -7.614 3.810 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.053 -8.708 4.212 1.00 0.00 O ATOM 1074 OE2 GLU A 69 15.563 -7.208 3.869 1.00 0.00 O ATOM 0 H GLU A 69 9.680 -8.116 2.402 1.00 0.00 H new ATOM 0 HA GLU A 69 10.804 -5.692 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.809 -7.873 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.028 -8.214 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.655 -6.409 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.280 -5.772 3.771 1.00 0.00 H new ATOM 1081 N LEU A 70 11.234 -6.308 0.404 1.00 0.00 N ATOM 1082 CA LEU A 70 11.549 -5.591 -0.862 1.00 0.00 C ATOM 1083 C LEU A 70 10.643 -4.359 -0.929 1.00 0.00 C ATOM 1084 O LEU A 70 11.014 -3.314 -1.426 1.00 0.00 O ATOM 1085 CB LEU A 70 11.279 -6.541 -2.045 1.00 0.00 C ATOM 1086 CG LEU A 70 11.144 -5.773 -3.371 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.435 -5.001 -3.656 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.887 -6.769 -4.517 1.00 0.00 C ATOM 0 H LEU A 70 11.020 -7.300 0.303 1.00 0.00 H new ATOM 0 HA LEU A 70 12.592 -5.278 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.091 -7.264 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.366 -7.106 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 70 10.311 -5.074 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.335 -4.459 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.622 -4.294 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.269 -5.700 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.791 -6.225 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.721 -7.468 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.967 -7.320 -4.321 1.00 0.00 H new ATOM 1100 N VAL A 71 9.455 -4.487 -0.415 1.00 0.00 N ATOM 1101 CA VAL A 71 8.499 -3.351 -0.419 1.00 0.00 C ATOM 1102 C VAL A 71 9.129 -2.152 0.285 1.00 0.00 C ATOM 1103 O VAL A 71 9.363 -1.125 -0.320 1.00 0.00 O ATOM 1104 CB VAL A 71 7.233 -3.790 0.316 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.312 -2.587 0.539 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.511 -4.859 -0.518 1.00 0.00 C ATOM 0 H VAL A 71 9.102 -5.343 0.013 1.00 0.00 H new ATOM 0 HA VAL A 71 8.252 -3.062 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 71 7.502 -4.207 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.413 -2.910 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.831 -1.837 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.036 -2.157 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.607 -5.176 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.244 -4.444 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.169 -5.717 -0.658 1.00 0.00 H new ATOM 1116 N CYS A 72 9.408 -2.270 1.557 1.00 0.00 N ATOM 1117 CA CYS A 72 10.030 -1.120 2.292 1.00 0.00 C ATOM 1118 C CYS A 72 11.172 -0.553 1.451 1.00 0.00 C ATOM 1119 O CYS A 72 11.586 0.577 1.621 1.00 0.00 O ATOM 1120 CB CYS A 72 10.563 -1.567 3.657 1.00 0.00 C ATOM 1121 SG CYS A 72 11.301 -0.147 4.503 1.00 0.00 S ATOM 0 H CYS A 72 9.235 -3.104 2.118 1.00 0.00 H new ATOM 0 HA CYS A 72 9.272 -0.355 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.754 -1.983 4.258 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.305 -2.356 3.531 1.00 0.00 H new ATOM 1126 N SER A 73 11.662 -1.325 0.516 1.00 0.00 N ATOM 1127 CA SER A 73 12.750 -0.830 -0.369 1.00 0.00 C ATOM 1128 C SER A 73 12.095 -0.087 -1.539 1.00 0.00 C ATOM 1129 O SER A 73 12.336 1.085 -1.751 1.00 0.00 O ATOM 1130 CB SER A 73 13.585 -2.017 -0.879 1.00 0.00 C ATOM 1131 OG SER A 73 13.466 -3.098 0.036 1.00 0.00 O ATOM 0 H SER A 73 11.353 -2.279 0.329 1.00 0.00 H new ATOM 0 HA SER A 73 13.417 -0.159 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.241 -2.322 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.630 -1.725 -0.982 1.00 0.00 H new ATOM 0 HG SER A 73 14.114 -3.796 -0.196 1.00 0.00 H new ATOM 1137 N MET A 74 11.247 -0.752 -2.291 1.00 0.00 N ATOM 1138 CA MET A 74 10.569 -0.056 -3.422 1.00 0.00 C ATOM 1139 C MET A 74 9.966 1.252 -2.900 1.00 0.00 C ATOM 1140 O MET A 74 10.021 2.276 -3.549 1.00 0.00 O ATOM 1141 CB MET A 74 9.445 -0.936 -3.987 1.00 0.00 C ATOM 1142 CG MET A 74 10.029 -2.101 -4.798 1.00 0.00 C ATOM 1143 SD MET A 74 8.760 -2.749 -5.917 1.00 0.00 S ATOM 1144 CE MET A 74 7.605 -3.338 -4.654 1.00 0.00 C ATOM 0 H MET A 74 11.000 -1.734 -2.169 1.00 0.00 H new ATOM 0 HA MET A 74 11.293 0.145 -4.211 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.834 -1.323 -3.172 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.790 -0.337 -4.620 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.895 -1.764 -5.368 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.375 -2.888 -4.128 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.992 -4.139 -5.067 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.164 -3.714 -3.797 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.963 -2.516 -4.336 1.00 0.00 H new ATOM 1154 N LEU A 75 9.392 1.222 -1.724 1.00 0.00 N ATOM 1155 CA LEU A 75 8.789 2.463 -1.152 1.00 0.00 C ATOM 1156 C LEU A 75 9.890 3.499 -0.892 1.00 0.00 C ATOM 1157 O LEU A 75 9.617 4.669 -0.711 1.00 0.00 O ATOM 1158 CB LEU A 75 8.086 2.136 0.173 1.00 0.00 C ATOM 1159 CG LEU A 75 6.996 1.075 -0.042 1.00 0.00 C ATOM 1160 CD1 LEU A 75 6.379 0.709 1.314 1.00 0.00 C ATOM 1161 CD2 LEU A 75 5.902 1.624 -0.974 1.00 0.00 C ATOM 0 H LEU A 75 9.315 0.392 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 75 8.065 2.865 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.815 1.775 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.643 3.041 0.589 1.00 0.00 H new ATOM 0 HG LEU A 75 7.438 0.190 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.604 -0.044 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.153 0.312 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.941 1.599 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.134 0.865 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.454 2.511 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.342 1.886 -1.937 1.00 0.00 H new ATOM 1173 N HIS A 76 11.129 3.075 -0.870 1.00 0.00 N ATOM 1174 CA HIS A 76 12.261 4.020 -0.621 1.00 0.00 C ATOM 1175 C HIS A 76 11.894 5.021 0.479 1.00 0.00 C ATOM 1176 O HIS A 76 12.202 6.193 0.389 1.00 0.00 O ATOM 1177 CB HIS A 76 12.601 4.772 -1.910 1.00 0.00 C ATOM 1178 CG HIS A 76 11.478 5.702 -2.270 1.00 0.00 C ATOM 1179 ND1 HIS A 76 11.416 7.006 -1.804 1.00 0.00 N ATOM 1180 CD2 HIS A 76 10.368 5.531 -3.053 1.00 0.00 C ATOM 1181 CE1 HIS A 76 10.301 7.564 -2.310 1.00 0.00 C ATOM 1182 NE2 HIS A 76 9.623 6.707 -3.079 1.00 0.00 N ATOM 0 H HIS A 76 11.407 2.105 -1.015 1.00 0.00 H new ATOM 0 HA HIS A 76 13.128 3.446 -0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.524 5.336 -1.779 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.772 4.063 -2.720 1.00 0.00 H new ATOM 0 HD1 HIS A 76 12.092 7.460 -1.190 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.109 4.620 -3.573 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.992 8.581 -2.118 1.00 0.00 H new ATOM 1190 N LEU A 77 11.240 4.573 1.515 1.00 0.00 N ATOM 1191 CA LEU A 77 10.861 5.506 2.613 1.00 0.00 C ATOM 1192 C LEU A 77 12.077 5.748 3.512 1.00 0.00 C ATOM 1193 O LEU A 77 12.131 6.705 4.258 1.00 0.00 O ATOM 1194 CB LEU A 77 9.701 4.900 3.425 1.00 0.00 C ATOM 1195 CG LEU A 77 10.201 3.738 4.331 1.00 0.00 C ATOM 1196 CD1 LEU A 77 10.403 4.226 5.773 1.00 0.00 C ATOM 1197 CD2 LEU A 77 9.170 2.599 4.347 1.00 0.00 C ATOM 0 H LEU A 77 10.952 3.604 1.649 1.00 0.00 H new ATOM 0 HA LEU A 77 10.535 6.459 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.240 5.673 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.931 4.532 2.747 1.00 0.00 H new ATOM 0 HG LEU A 77 11.149 3.382 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.753 3.399 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.142 5.027 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.457 4.599 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.530 1.791 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.222 2.972 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.025 2.225 3.333 1.00 0.00 H new ATOM 1209 N CYS A 78 13.058 4.888 3.440 1.00 0.00 N ATOM 1210 CA CYS A 78 14.277 5.071 4.283 1.00 0.00 C ATOM 1211 C CYS A 78 14.915 6.424 3.968 1.00 0.00 C ATOM 1212 O CYS A 78 14.694 7.402 4.655 1.00 0.00 O ATOM 1213 CB CYS A 78 15.282 3.957 3.987 1.00 0.00 C ATOM 1214 SG CYS A 78 14.605 2.382 4.563 1.00 0.00 S ATOM 0 H CYS A 78 13.069 4.067 2.835 1.00 0.00 H new ATOM 0 HA CYS A 78 13.995 5.034 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 78 15.487 3.910 2.917 1.00 0.00 H new ATOM 0 HB3 CYS A 78 16.230 4.163 4.484 1.00 0.00 H new ATOM 1219 N SER A 79 15.706 6.487 2.932 1.00 0.00 N ATOM 1220 CA SER A 79 16.358 7.774 2.566 1.00 0.00 C ATOM 1221 C SER A 79 15.290 8.789 2.154 1.00 0.00 C ATOM 1222 O SER A 79 14.106 8.527 2.243 1.00 0.00 O ATOM 1223 CB SER A 79 17.320 7.543 1.400 1.00 0.00 C ATOM 1224 OG SER A 79 18.431 6.779 1.852 1.00 0.00 O ATOM 0 H SER A 79 15.929 5.700 2.322 1.00 0.00 H new ATOM 0 HA SER A 79 16.911 8.158 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.810 7.021 0.591 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.660 8.498 0.999 1.00 0.00 H new ATOM 0 HG SER A 79 19.049 6.628 1.107 1.00 0.00 H new ATOM 1230 N GLY A 80 15.697 9.942 1.700 1.00 0.00 N ATOM 1231 CA GLY A 80 14.705 10.973 1.274 1.00 0.00 C ATOM 1232 C GLY A 80 14.317 10.721 -0.179 1.00 0.00 C ATOM 1233 O GLY A 80 13.188 10.926 -0.581 1.00 0.00 O ATOM 0 H GLY A 80 16.675 10.217 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.822 10.931 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.130 11.971 1.382 1.00 0.00 H new ATOM 1237 N LEU A 81 15.254 10.261 -0.964 1.00 0.00 N ATOM 1238 CA LEU A 81 14.992 9.961 -2.396 1.00 0.00 C ATOM 1239 C LEU A 81 15.432 8.538 -2.658 1.00 0.00 C ATOM 1240 O LEU A 81 15.840 7.831 -1.758 1.00 0.00 O ATOM 1241 CB LEU A 81 15.793 10.923 -3.297 1.00 0.00 C ATOM 1242 CG LEU A 81 17.207 11.200 -2.728 1.00 0.00 C ATOM 1243 CD1 LEU A 81 17.136 12.063 -1.444 1.00 0.00 C ATOM 1244 CD2 LEU A 81 17.941 9.873 -2.436 1.00 0.00 C ATOM 0 H LEU A 81 16.211 10.077 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 81 13.932 10.085 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.880 10.497 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.251 11.863 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 81 17.766 11.756 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.144 12.240 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.661 13.017 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.553 11.540 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.933 10.086 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 81 17.373 9.296 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 81 18.036 9.299 -3.358 1.00 0.00 H new ATOM 1256 N VAL A 82 15.405 8.113 -3.882 1.00 0.00 N ATOM 1257 CA VAL A 82 15.883 6.738 -4.165 1.00 0.00 C ATOM 1258 C VAL A 82 17.421 6.798 -4.280 1.00 0.00 C ATOM 1259 O VAL A 82 17.930 7.634 -4.999 1.00 0.00 O ATOM 1260 CB VAL A 82 15.290 6.214 -5.477 1.00 0.00 C ATOM 1261 CG1 VAL A 82 13.885 5.667 -5.223 1.00 0.00 C ATOM 1262 CG2 VAL A 82 15.221 7.349 -6.501 1.00 0.00 C ATOM 0 H VAL A 82 15.079 8.646 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 82 15.573 6.064 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 82 15.924 5.417 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.465 5.295 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.937 4.854 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.250 6.462 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.799 6.973 -7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 82 14.591 8.150 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 82 16.224 7.733 -6.686 1.00 0.00 H new ATOM 1272 N PRO A 83 18.136 5.938 -3.577 1.00 0.00 N ATOM 1273 CA PRO A 83 19.604 5.961 -3.628 1.00 0.00 C ATOM 1274 C PRO A 83 20.093 6.018 -5.084 1.00 0.00 C ATOM 1275 O PRO A 83 19.664 5.247 -5.919 1.00 0.00 O ATOM 1276 CB PRO A 83 20.043 4.658 -2.938 1.00 0.00 C ATOM 1277 CG PRO A 83 18.805 4.118 -2.184 1.00 0.00 C ATOM 1278 CD PRO A 83 17.576 4.891 -2.705 1.00 0.00 C ATOM 0 HA PRO A 83 20.024 6.838 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.398 3.932 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.866 4.843 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.687 3.048 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.919 4.257 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.900 4.236 -3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.003 5.323 -1.885 1.00 0.00 H new ATOM 1286 N ARG A 84 20.989 6.916 -5.396 1.00 0.00 N ATOM 1287 CA ARG A 84 21.496 6.996 -6.795 1.00 0.00 C ATOM 1288 C ARG A 84 22.430 5.808 -7.052 1.00 0.00 C ATOM 1289 O ARG A 84 22.746 5.112 -6.102 1.00 0.00 O ATOM 1290 CB ARG A 84 22.269 8.311 -6.997 1.00 0.00 C ATOM 1291 CG ARG A 84 21.301 9.482 -7.240 1.00 0.00 C ATOM 1292 CD ARG A 84 20.723 9.969 -5.909 1.00 0.00 C ATOM 1293 NE ARG A 84 21.832 10.405 -5.014 1.00 0.00 N ATOM 1294 CZ ARG A 84 21.573 11.142 -3.968 1.00 0.00 C ATOM 1295 NH1 ARG A 84 20.346 11.499 -3.710 1.00 0.00 N ATOM 1296 NH2 ARG A 84 22.543 11.524 -3.184 1.00 0.00 N ATOM 1297 OXT ARG A 84 22.812 5.618 -8.195 1.00 0.00 O ATOM 0 H ARG A 84 21.389 7.593 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 84 20.657 6.968 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 84 22.882 8.516 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 84 22.948 8.213 -7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 84 21.823 10.298 -7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 84 20.495 9.167 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 84 20.034 10.796 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 84 20.152 9.171 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 84 22.792 10.128 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.588 11.202 -4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 84 20.144 12.075 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 84 23.503 11.247 -3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 84 22.341 12.100 -2.367 1.00 0.00 H new TER 1311 ARG A 84