USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 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 100 MET CE :methyl 169:sc= -2.68! (180deg=-1.86) USER MOD Set 1.2: A 103 MET CE :methyl -167:sc= -3.32 (180deg=-4.01!) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 92 CYS SG : rot -136:sc= -8.61! USER MOD Set 3.1: A 85 THR OG1 : rot -76:sc= -0.395 USER MOD Set 3.2: A 88 SER OG : rot -151:sc= -1.11! USER MOD Set 4.1: A 21 THR OG1 : rot 71:sc= -0.0162 USER MOD Set 4.2: A 36 ASN : amide:sc= 0.0864 K(o=0.07,f=-0.87) USER MOD Single : A 1 SER N :NH3+ -101:sc= 0.0786 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.16 K(o=0.16,f=-1.9!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 20 THR OG1 : rot 180:sc= -3.09! USER MOD Single : A 35 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.7!) USER MOD Single : A 37 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 49 THR OG1 : rot -95:sc= 0.361 USER MOD Single : A 52 CYS SG : rot -82:sc= -2.63! USER MOD Single : A 53 SER OG : rot -61:sc= 0.654 USER MOD Single : A 54 THR OG1 : rot 63:sc= 0.138 USER MOD Single : A 55 CYS SG : rot -149:sc= -1.71! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00709 USER MOD Single : A 75 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.4) USER MOD Single : A 77 MET CE :methyl -135:sc= -1.78 (180deg=-7.66!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -14.7! C(o=-15!,f=-19!) USER MOD Single : A 95 CYS SG : rot 180:sc= 0.0432 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 102 ASN : amide:sc= -0.0218 K(o=-0.022,f=-0.96) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.452 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.772 25.703 -7.893 1.00 0.00 N ATOM 2 CA SER A 1 18.086 24.798 -6.802 1.00 0.00 C ATOM 3 C SER A 1 17.359 23.467 -7.000 1.00 0.00 C ATOM 4 O SER A 1 16.329 23.412 -7.670 1.00 0.00 O ATOM 5 CB SER A 1 17.711 25.411 -5.451 1.00 0.00 C ATOM 6 OG SER A 1 16.345 25.815 -5.409 1.00 0.00 O ATOM 0 H1 SER A 1 18.559 25.713 -8.573 1.00 0.00 H new ATOM 0 H2 SER A 1 16.905 25.383 -8.371 1.00 0.00 H new ATOM 0 H3 SER A 1 17.627 26.662 -7.518 1.00 0.00 H new ATOM 0 HA SER A 1 19.162 24.622 -6.804 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.899 24.686 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.350 26.272 -5.254 1.00 0.00 H new ATOM 0 HG SER A 1 16.144 26.199 -4.530 1.00 0.00 H new ATOM 12 N SER A 2 17.923 22.426 -6.405 1.00 0.00 N ATOM 13 CA SER A 2 17.341 21.099 -6.507 1.00 0.00 C ATOM 14 C SER A 2 15.925 21.102 -5.929 1.00 0.00 C ATOM 15 O SER A 2 15.678 21.703 -4.885 1.00 0.00 O ATOM 16 CB SER A 2 18.206 20.061 -5.789 1.00 0.00 C ATOM 17 OG SER A 2 19.028 19.331 -6.694 1.00 0.00 O ATOM 0 H SER A 2 18.778 22.475 -5.850 1.00 0.00 H new ATOM 0 HA SER A 2 17.295 20.826 -7.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.834 20.561 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.564 19.369 -5.244 1.00 0.00 H new ATOM 0 HG SER A 2 19.565 18.680 -6.196 1.00 0.00 H new ATOM 23 N SER A 3 15.030 20.425 -6.635 1.00 0.00 N ATOM 24 CA SER A 3 13.646 20.342 -6.205 1.00 0.00 C ATOM 25 C SER A 3 13.250 18.879 -5.992 1.00 0.00 C ATOM 26 O SER A 3 13.548 18.024 -6.825 1.00 0.00 O ATOM 27 CB SER A 3 12.713 21.001 -7.222 1.00 0.00 C ATOM 28 OG SER A 3 11.992 22.093 -6.657 1.00 0.00 O ATOM 0 H SER A 3 15.238 19.929 -7.502 1.00 0.00 H new ATOM 0 HA SER A 3 13.549 20.879 -5.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.296 21.353 -8.073 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.010 20.260 -7.602 1.00 0.00 H new ATOM 0 HG SER A 3 11.409 22.488 -7.339 1.00 0.00 H new ATOM 34 N GLU A 4 12.585 18.637 -4.871 1.00 0.00 N ATOM 35 CA GLU A 4 12.145 17.292 -4.539 1.00 0.00 C ATOM 36 C GLU A 4 10.618 17.235 -4.469 1.00 0.00 C ATOM 37 O GLU A 4 9.968 18.241 -4.189 1.00 0.00 O ATOM 38 CB GLU A 4 12.772 16.820 -3.226 1.00 0.00 C ATOM 39 CG GLU A 4 13.859 15.774 -3.482 1.00 0.00 C ATOM 40 CD GLU A 4 15.185 16.194 -2.843 1.00 0.00 C ATOM 41 OE1 GLU A 4 15.359 17.371 -2.493 1.00 0.00 O ATOM 42 OE2 GLU A 4 16.051 15.247 -2.713 1.00 0.00 O ATOM 0 H GLU A 4 12.341 19.349 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 4 12.478 16.616 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.199 17.671 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.001 16.398 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.545 14.812 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.995 15.640 -4.555 1.00 0.00 H new ATOM 50 N ASP A 5 10.090 16.047 -4.728 1.00 0.00 N ATOM 51 CA ASP A 5 8.651 15.846 -4.697 1.00 0.00 C ATOM 52 C ASP A 5 8.317 14.738 -3.696 1.00 0.00 C ATOM 53 O ASP A 5 9.187 13.955 -3.318 1.00 0.00 O ATOM 54 CB ASP A 5 8.126 15.419 -6.069 1.00 0.00 C ATOM 55 CG ASP A 5 8.317 16.448 -7.185 1.00 0.00 C ATOM 56 OD1 ASP A 5 8.486 17.649 -6.923 1.00 0.00 O ATOM 57 OD2 ASP A 5 8.286 15.968 -8.381 1.00 0.00 O ATOM 0 H ASP A 5 10.632 15.215 -4.960 1.00 0.00 H new ATOM 0 HA ASP A 5 8.184 16.788 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.624 14.494 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.063 15.195 -5.981 1.00 0.00 H new ATOM 63 N LYS A 6 7.054 14.708 -3.296 1.00 0.00 N ATOM 64 CA LYS A 6 6.594 13.709 -2.347 1.00 0.00 C ATOM 65 C LYS A 6 5.066 13.754 -2.265 1.00 0.00 C ATOM 66 O LYS A 6 4.478 14.830 -2.172 1.00 0.00 O ATOM 67 CB LYS A 6 7.287 13.896 -0.994 1.00 0.00 C ATOM 68 CG LYS A 6 6.909 15.238 -0.365 1.00 0.00 C ATOM 69 CD LYS A 6 8.051 16.248 -0.503 1.00 0.00 C ATOM 70 CE LYS A 6 8.642 16.597 0.864 1.00 0.00 C ATOM 0 H LYS A 6 6.335 15.359 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 6 6.867 12.709 -2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.007 13.084 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.368 13.843 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.012 15.629 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.670 15.096 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.830 15.837 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.684 17.153 -0.987 1.00 0.00 H new ATOM 84 N ILE A 7 4.469 12.572 -2.304 1.00 0.00 N ATOM 85 CA ILE A 7 3.021 12.463 -2.237 1.00 0.00 C ATOM 86 C ILE A 7 2.605 12.148 -0.798 1.00 0.00 C ATOM 87 O ILE A 7 3.450 12.056 0.091 1.00 0.00 O ATOM 88 CB ILE A 7 2.513 11.446 -3.260 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.495 10.035 -2.671 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.327 11.517 -4.554 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.308 9.231 -3.207 1.00 0.00 C ATOM 0 H ILE A 7 4.961 11.682 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 7 2.554 13.411 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 7 1.484 11.701 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.426 9.523 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.439 10.092 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.945 10.784 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.243 12.516 -4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.374 11.302 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.319 8.232 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.378 9.733 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.380 9.155 -4.292 1.00 0.00 H new ATOM 103 N THR A 8 1.303 11.992 -0.615 1.00 0.00 N ATOM 104 CA THR A 8 0.763 11.689 0.700 1.00 0.00 C ATOM 105 C THR A 8 0.029 10.347 0.680 1.00 0.00 C ATOM 106 O THR A 8 -0.722 10.061 -0.251 1.00 0.00 O ATOM 107 CB THR A 8 -0.123 12.860 1.129 1.00 0.00 C ATOM 108 OG1 THR A 8 0.738 13.993 1.055 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.517 12.787 2.605 1.00 0.00 C ATOM 0 H THR A 8 0.605 12.070 -1.355 1.00 0.00 H new ATOM 0 HA THR A 8 1.558 11.577 1.437 1.00 0.00 H new ATOM 0 HB THR A 8 -1.023 12.878 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.243 14.798 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.145 13.642 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.068 11.865 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.381 12.803 3.223 1.00 0.00 H new ATOM 117 N VAL A 9 0.272 9.560 1.718 1.00 0.00 N ATOM 118 CA VAL A 9 -0.357 8.255 1.831 1.00 0.00 C ATOM 119 C VAL A 9 -0.974 8.109 3.223 1.00 0.00 C ATOM 120 O VAL A 9 -0.384 8.534 4.216 1.00 0.00 O ATOM 121 CB VAL A 9 0.658 7.155 1.510 1.00 0.00 C ATOM 122 CG1 VAL A 9 0.034 5.768 1.673 1.00 0.00 C ATOM 123 CG2 VAL A 9 1.234 7.336 0.103 1.00 0.00 C ATOM 0 H VAL A 9 0.896 9.801 2.488 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.164 8.157 1.105 1.00 0.00 H new ATOM 0 HB VAL A 9 1.479 7.238 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.777 5.005 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.306 5.640 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.814 5.669 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.952 6.542 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.427 7.292 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.733 8.303 0.036 1.00 0.00 H new ATOM 133 N HIS A 10 -2.155 7.509 3.253 1.00 0.00 N ATOM 134 CA HIS A 10 -2.859 7.303 4.507 1.00 0.00 C ATOM 135 C HIS A 10 -3.065 5.805 4.739 1.00 0.00 C ATOM 136 O HIS A 10 -3.279 5.050 3.792 1.00 0.00 O ATOM 137 CB HIS A 10 -4.168 8.093 4.531 1.00 0.00 C ATOM 138 CG HIS A 10 -3.983 9.591 4.524 1.00 0.00 C ATOM 139 ND1 HIS A 10 -3.743 10.322 5.674 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.003 10.487 3.495 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.627 11.600 5.341 1.00 0.00 C ATOM 0 H HIS A 10 -2.642 7.159 2.428 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.258 7.684 5.333 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.768 7.808 3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.734 7.812 5.419 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -3.668 9.942 6.618 1.00 0.00 H new ATOM 150 N PHE A 11 -2.995 5.420 6.005 1.00 0.00 N ATOM 151 CA PHE A 11 -3.171 4.025 6.374 1.00 0.00 C ATOM 152 C PHE A 11 -4.200 3.882 7.497 1.00 0.00 C ATOM 153 O PHE A 11 -4.135 4.594 8.498 1.00 0.00 O ATOM 154 CB PHE A 11 -1.816 3.519 6.871 1.00 0.00 C ATOM 155 CG PHE A 11 -0.762 3.378 5.771 1.00 0.00 C ATOM 156 CD1 PHE A 11 -0.228 4.487 5.194 1.00 0.00 C ATOM 157 CD2 PHE A 11 -0.359 2.143 5.370 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.750 4.357 4.173 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.618 2.011 4.348 1.00 0.00 C ATOM 160 CZ PHE A 11 1.153 3.121 3.771 1.00 0.00 C ATOM 0 H PHE A 11 -2.819 6.049 6.788 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.527 3.455 5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.442 4.203 7.633 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.956 2.551 7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.548 5.468 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.782 1.262 5.829 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.174 5.239 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.936 1.030 4.029 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.897 3.021 2.995 1.00 0.00 H new ATOM 170 N ILE A 12 -5.125 2.954 7.294 1.00 0.00 N ATOM 171 CA ILE A 12 -6.165 2.708 8.277 1.00 0.00 C ATOM 172 C ILE A 12 -5.800 1.472 9.101 1.00 0.00 C ATOM 173 O ILE A 12 -6.062 0.345 8.685 1.00 0.00 O ATOM 174 CB ILE A 12 -7.533 2.612 7.597 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.730 3.754 6.598 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.658 2.557 8.633 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.833 3.418 5.593 1.00 0.00 C ATOM 0 H ILE A 12 -5.175 2.364 6.463 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.238 3.545 8.972 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.569 1.680 7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.986 4.669 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.796 3.944 6.069 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.619 2.489 8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.523 1.683 9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.634 3.459 9.244 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.953 4.246 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.563 2.516 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.771 3.252 6.124 1.00 0.00 H new ATOM 189 N ASN A 13 -5.202 1.725 10.256 1.00 0.00 N ATOM 190 CA ASN A 13 -4.798 0.647 11.142 1.00 0.00 C ATOM 191 C ASN A 13 -6.005 -0.246 11.434 1.00 0.00 C ATOM 192 O ASN A 13 -7.129 0.241 11.547 1.00 0.00 O ATOM 193 CB ASN A 13 -4.280 1.194 12.474 1.00 0.00 C ATOM 194 CG ASN A 13 -3.033 0.434 12.930 1.00 0.00 C ATOM 195 OD1 ASN A 13 -2.909 -0.768 12.758 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.120 1.199 13.521 1.00 0.00 N ATOM 0 H ASN A 13 -4.988 2.661 10.599 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.004 0.085 10.650 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.047 2.254 12.370 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.058 1.112 13.233 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.252 0.786 13.862 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.287 2.199 13.633 1.00 0.00 H new ATOM 203 N ARG A 14 -5.732 -1.538 11.547 1.00 0.00 N ATOM 204 CA ARG A 14 -6.782 -2.503 11.824 1.00 0.00 C ATOM 205 C ARG A 14 -7.629 -2.040 13.010 1.00 0.00 C ATOM 206 O ARG A 14 -8.779 -2.453 13.155 1.00 0.00 O ATOM 207 CB ARG A 14 -6.195 -3.882 12.132 1.00 0.00 C ATOM 208 CG ARG A 14 -5.112 -3.789 13.210 1.00 0.00 C ATOM 209 CD ARG A 14 -4.637 -5.181 13.633 1.00 0.00 C ATOM 210 NE ARG A 14 -4.729 -5.321 15.103 1.00 0.00 N ATOM 211 CZ ARG A 14 -5.831 -5.750 15.755 1.00 0.00 C ATOM 212 NH1 ARG A 14 -6.945 -6.085 15.071 1.00 0.00 N ATOM 213 NH2 ARG A 14 -5.801 -5.838 17.072 1.00 0.00 N ATOM 0 H ARG A 14 -4.799 -1.939 11.452 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.407 -2.577 10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.987 -4.552 12.465 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.773 -4.313 11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.268 -3.212 12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.502 -3.255 14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.245 -5.945 13.148 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.608 -5.338 13.308 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.909 -5.078 15.659 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.959 -6.015 14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.773 -6.408 15.572 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.954 -5.584 17.581 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.624 -6.160 17.580 1.00 0.00 H new ATOM 226 N ASP A 15 -7.029 -1.189 13.830 1.00 0.00 N ATOM 227 CA ASP A 15 -7.714 -0.666 15.000 1.00 0.00 C ATOM 228 C ASP A 15 -8.870 0.230 14.548 1.00 0.00 C ATOM 229 O ASP A 15 -9.917 0.269 15.195 1.00 0.00 O ATOM 230 CB ASP A 15 -6.770 0.177 15.859 1.00 0.00 C ATOM 231 CG ASP A 15 -6.928 -0.012 17.369 1.00 0.00 C ATOM 232 OD1 ASP A 15 -7.977 -0.469 17.849 1.00 0.00 O ATOM 233 OD2 ASP A 15 -5.905 0.335 18.073 1.00 0.00 O ATOM 0 H ASP A 15 -6.075 -0.849 13.707 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.077 -1.511 15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.743 -0.061 15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.928 1.229 15.621 1.00 0.00 H new ATOM 239 N GLY A 16 -8.643 0.925 13.445 1.00 0.00 N ATOM 240 CA GLY A 16 -9.653 1.817 12.901 1.00 0.00 C ATOM 241 C GLY A 16 -9.097 3.232 12.725 1.00 0.00 C ATOM 242 O GLY A 16 -9.734 4.080 12.102 1.00 0.00 O ATOM 0 H GLY A 16 -7.774 0.889 12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.000 1.437 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.517 1.842 13.565 1.00 0.00 H new ATOM 246 N GLU A 17 -7.914 3.443 13.284 1.00 0.00 N ATOM 247 CA GLU A 17 -7.266 4.740 13.197 1.00 0.00 C ATOM 248 C GLU A 17 -6.633 4.925 11.815 1.00 0.00 C ATOM 249 O GLU A 17 -6.222 3.954 11.182 1.00 0.00 O ATOM 250 CB GLU A 17 -6.222 4.907 14.304 1.00 0.00 C ATOM 251 CG GLU A 17 -5.082 3.902 14.139 1.00 0.00 C ATOM 252 CD GLU A 17 -4.538 3.461 15.500 1.00 0.00 C ATOM 253 OE1 GLU A 17 -4.977 2.434 16.039 1.00 0.00 O ATOM 254 OE2 GLU A 17 -3.629 4.228 15.998 1.00 0.00 O ATOM 0 H GLU A 17 -7.388 2.737 13.799 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.022 5.512 13.336 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.823 5.921 14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.694 4.771 15.277 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.436 3.032 13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.281 4.349 13.551 1.00 0.00 H new ATOM 262 N THR A 18 -6.576 6.178 11.389 1.00 0.00 N ATOM 263 CA THR A 18 -6.001 6.503 10.096 1.00 0.00 C ATOM 264 C THR A 18 -4.673 7.240 10.272 1.00 0.00 C ATOM 265 O THR A 18 -4.608 8.254 10.966 1.00 0.00 O ATOM 266 CB THR A 18 -7.039 7.302 9.304 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.930 6.311 8.800 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.449 7.946 8.048 1.00 0.00 C ATOM 0 H THR A 18 -6.919 6.980 11.917 1.00 0.00 H new ATOM 0 HA THR A 18 -5.763 5.601 9.532 1.00 0.00 H new ATOM 0 HB THR A 18 -7.465 8.076 9.943 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.636 6.743 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.227 8.500 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.646 8.627 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.052 7.170 7.393 1.00 0.00 H new ATOM 276 N LEU A 19 -3.644 6.703 9.632 1.00 0.00 N ATOM 277 CA LEU A 19 -2.320 7.297 9.709 1.00 0.00 C ATOM 278 C LEU A 19 -2.077 8.154 8.465 1.00 0.00 C ATOM 279 O LEU A 19 -2.685 7.924 7.420 1.00 0.00 O ATOM 280 CB LEU A 19 -1.260 6.216 9.930 1.00 0.00 C ATOM 281 CG LEU A 19 -1.367 5.428 11.236 1.00 0.00 C ATOM 282 CD1 LEU A 19 -2.237 6.169 12.254 1.00 0.00 C ATOM 283 CD2 LEU A 19 -1.873 4.007 10.979 1.00 0.00 C ATOM 0 H LEU A 19 -3.701 5.862 9.057 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.249 7.960 10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.309 5.512 9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.277 6.686 9.892 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.369 5.343 11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.297 5.587 13.174 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.797 7.143 12.469 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.238 6.306 11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.940 3.468 11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.858 4.050 10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.182 3.489 10.314 1.00 0.00 H new ATOM 295 N THR A 20 -1.186 9.123 8.618 1.00 0.00 N ATOM 296 CA THR A 20 -0.855 10.014 7.519 1.00 0.00 C ATOM 297 C THR A 20 0.648 9.974 7.235 1.00 0.00 C ATOM 298 O THR A 20 1.455 10.353 8.083 1.00 0.00 O ATOM 299 CB THR A 20 -1.369 11.411 7.873 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.787 11.290 7.792 1.00 0.00 O ATOM 301 CG2 THR A 20 -1.023 12.450 6.804 1.00 0.00 C ATOM 0 H THR A 20 -0.684 9.310 9.486 1.00 0.00 H new ATOM 0 HA THR A 20 -1.338 9.698 6.594 1.00 0.00 H new ATOM 0 HB THR A 20 -0.949 11.720 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.202 12.151 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.410 13.424 7.104 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.060 12.509 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.471 12.158 5.854 1.00 0.00 H new ATOM 309 N THR A 21 0.979 9.512 6.038 1.00 0.00 N ATOM 310 CA THR A 21 2.371 9.417 5.631 1.00 0.00 C ATOM 311 C THR A 21 2.567 10.050 4.252 1.00 0.00 C ATOM 312 O THR A 21 1.601 10.454 3.607 1.00 0.00 O ATOM 313 CB THR A 21 2.780 7.944 5.687 1.00 0.00 C ATOM 314 OG1 THR A 21 4.205 7.980 5.696 1.00 0.00 O ATOM 315 CG2 THR A 21 2.435 7.191 4.401 1.00 0.00 C ATOM 0 H THR A 21 0.307 9.199 5.337 1.00 0.00 H new ATOM 0 HA THR A 21 3.020 9.975 6.306 1.00 0.00 H new ATOM 0 HB THR A 21 2.288 7.463 6.532 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.518 8.320 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.746 6.151 4.494 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.359 7.234 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.953 7.651 3.560 1.00 0.00 H new ATOM 323 N LYS A 22 3.825 10.118 3.842 1.00 0.00 N ATOM 324 CA LYS A 22 4.161 10.696 2.551 1.00 0.00 C ATOM 325 C LYS A 22 5.224 9.831 1.871 1.00 0.00 C ATOM 326 O LYS A 22 6.151 9.352 2.524 1.00 0.00 O ATOM 327 CB LYS A 22 4.571 12.161 2.711 1.00 0.00 C ATOM 328 CG LYS A 22 6.001 12.277 3.243 1.00 0.00 C ATOM 329 CD LYS A 22 6.407 13.742 3.410 1.00 0.00 C ATOM 330 CE LYS A 22 5.564 14.425 4.489 1.00 0.00 C ATOM 0 H LYS A 22 4.624 9.783 4.380 1.00 0.00 H new ATOM 0 HA LYS A 22 3.289 10.702 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.494 12.670 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.884 12.662 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.079 11.763 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.689 11.781 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.462 13.803 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.286 14.267 2.462 1.00 0.00 H new ATOM 344 N GLY A 23 5.055 9.657 0.569 1.00 0.00 N ATOM 345 CA GLY A 23 5.989 8.857 -0.206 1.00 0.00 C ATOM 346 C GLY A 23 6.270 9.506 -1.564 1.00 0.00 C ATOM 347 O GLY A 23 5.385 10.123 -2.156 1.00 0.00 O ATOM 0 H GLY A 23 4.286 10.056 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.922 8.743 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.582 7.857 -0.354 1.00 0.00 H new ATOM 351 N LYS A 24 7.504 9.344 -2.016 1.00 0.00 N ATOM 352 CA LYS A 24 7.912 9.906 -3.293 1.00 0.00 C ATOM 353 C LYS A 24 7.481 8.966 -4.420 1.00 0.00 C ATOM 354 O LYS A 24 8.022 7.870 -4.560 1.00 0.00 O ATOM 355 CB LYS A 24 9.411 10.214 -3.288 1.00 0.00 C ATOM 356 CG LYS A 24 10.231 8.942 -3.065 1.00 0.00 C ATOM 357 CD LYS A 24 11.005 8.558 -4.328 1.00 0.00 C ATOM 358 CE LYS A 24 12.472 8.270 -4.006 1.00 0.00 C ATOM 0 H LYS A 24 8.235 8.832 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 24 7.414 10.860 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.695 10.673 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.635 10.937 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.927 9.094 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.570 8.125 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.550 7.679 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.941 9.365 -5.058 1.00 0.00 H new ATOM 372 N ILE A 25 6.512 9.430 -5.196 1.00 0.00 N ATOM 373 CA ILE A 25 6.002 8.644 -6.307 1.00 0.00 C ATOM 374 C ILE A 25 7.155 7.869 -6.949 1.00 0.00 C ATOM 375 O ILE A 25 7.917 8.425 -7.737 1.00 0.00 O ATOM 376 CB ILE A 25 5.238 9.535 -7.287 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.151 8.882 -8.668 1.00 0.00 C ATOM 378 CG2 ILE A 25 5.856 10.933 -7.353 1.00 0.00 C ATOM 379 CD1 ILE A 25 4.071 9.549 -9.524 1.00 0.00 C ATOM 0 H ILE A 25 6.067 10.340 -5.077 1.00 0.00 H new ATOM 0 HA ILE A 25 5.280 7.907 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 25 4.218 9.650 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.115 8.956 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.929 7.820 -8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.294 11.546 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.823 11.392 -6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.892 10.858 -7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.030 9.066 -10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.104 9.452 -9.030 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.309 10.605 -9.652 1.00 0.00 H new ATOM 391 N GLY A 26 7.245 6.598 -6.587 1.00 0.00 N ATOM 392 CA GLY A 26 8.292 5.741 -7.119 1.00 0.00 C ATOM 393 C GLY A 26 8.941 4.915 -6.007 1.00 0.00 C ATOM 394 O GLY A 26 9.761 4.038 -6.277 1.00 0.00 O ATOM 0 H GLY A 26 6.611 6.141 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.874 5.076 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.049 6.350 -7.614 1.00 0.00 H new ATOM 398 N ASP A 27 8.552 5.225 -4.778 1.00 0.00 N ATOM 399 CA ASP A 27 9.086 4.522 -3.625 1.00 0.00 C ATOM 400 C ASP A 27 8.036 3.541 -3.099 1.00 0.00 C ATOM 401 O ASP A 27 6.838 3.800 -3.193 1.00 0.00 O ATOM 402 CB ASP A 27 9.428 5.497 -2.496 1.00 0.00 C ATOM 403 CG ASP A 27 10.011 4.851 -1.237 1.00 0.00 C ATOM 404 OD1 ASP A 27 9.355 4.794 -0.187 1.00 0.00 O ATOM 405 OD2 ASP A 27 11.207 4.386 -1.368 1.00 0.00 O ATOM 0 H ASP A 27 7.873 5.954 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 27 9.990 3.999 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.141 6.230 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.525 6.042 -2.221 1.00 0.00 H new ATOM 411 N SER A 28 8.526 2.434 -2.559 1.00 0.00 N ATOM 412 CA SER A 28 7.645 1.413 -2.018 1.00 0.00 C ATOM 413 C SER A 28 6.975 1.922 -0.740 1.00 0.00 C ATOM 414 O SER A 28 7.504 2.805 -0.068 1.00 0.00 O ATOM 415 CB SER A 28 8.410 0.119 -1.736 1.00 0.00 C ATOM 416 OG SER A 28 8.128 -0.890 -2.704 1.00 0.00 O ATOM 0 H SER A 28 9.521 2.222 -2.485 1.00 0.00 H new ATOM 0 HA SER A 28 6.878 1.196 -2.761 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.480 0.325 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.149 -0.248 -0.743 1.00 0.00 H new ATOM 0 HG SER A 28 8.637 -1.700 -2.490 1.00 0.00 H new ATOM 422 N LEU A 29 5.820 1.343 -0.444 1.00 0.00 N ATOM 423 CA LEU A 29 5.073 1.727 0.741 1.00 0.00 C ATOM 424 C LEU A 29 5.797 1.210 1.985 1.00 0.00 C ATOM 425 O LEU A 29 5.937 1.932 2.972 1.00 0.00 O ATOM 426 CB LEU A 29 3.621 1.256 0.635 1.00 0.00 C ATOM 427 CG LEU A 29 2.655 2.214 -0.066 1.00 0.00 C ATOM 428 CD1 LEU A 29 1.208 1.740 0.084 1.00 0.00 C ATOM 429 CD2 LEU A 29 2.843 3.647 0.437 1.00 0.00 C ATOM 0 H LEU A 29 5.384 0.611 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 29 5.027 2.813 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.606 0.304 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.247 1.066 1.641 1.00 0.00 H new ATOM 0 HG LEU A 29 2.886 2.213 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.542 2.438 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.102 0.750 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.948 1.694 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.145 4.308 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.654 3.684 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.864 3.972 0.237 1.00 0.00 H new ATOM 441 N LEU A 30 6.238 -0.036 1.899 1.00 0.00 N ATOM 442 CA LEU A 30 6.946 -0.658 3.006 1.00 0.00 C ATOM 443 C LEU A 30 8.048 0.283 3.495 1.00 0.00 C ATOM 444 O LEU A 30 8.184 0.517 4.694 1.00 0.00 O ATOM 445 CB LEU A 30 7.452 -2.046 2.606 1.00 0.00 C ATOM 446 CG LEU A 30 6.548 -3.223 2.978 1.00 0.00 C ATOM 447 CD1 LEU A 30 5.195 -3.120 2.271 1.00 0.00 C ATOM 448 CD2 LEU A 30 7.243 -4.557 2.697 1.00 0.00 C ATOM 0 H LEU A 30 6.119 -0.632 1.080 1.00 0.00 H new ATOM 0 HA LEU A 30 6.271 -0.821 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.605 -2.058 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.427 -2.202 3.068 1.00 0.00 H new ATOM 0 HG LEU A 30 6.354 -3.181 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.572 -3.969 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.701 -2.194 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.347 -3.124 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.579 -5.378 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.486 -4.624 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.159 -4.621 3.284 1.00 0.00 H new ATOM 460 N ASP A 31 8.810 0.797 2.539 1.00 0.00 N ATOM 461 CA ASP A 31 9.897 1.707 2.857 1.00 0.00 C ATOM 462 C ASP A 31 9.337 2.926 3.594 1.00 0.00 C ATOM 463 O ASP A 31 9.891 3.351 4.605 1.00 0.00 O ATOM 464 CB ASP A 31 10.592 2.200 1.585 1.00 0.00 C ATOM 465 CG ASP A 31 11.034 1.098 0.621 1.00 0.00 C ATOM 466 OD1 ASP A 31 10.528 -0.033 0.668 1.00 0.00 O ATOM 467 OD2 ASP A 31 11.953 1.443 -0.216 1.00 0.00 O ATOM 0 H ASP A 31 8.695 0.600 1.545 1.00 0.00 H new ATOM 0 HA ASP A 31 10.616 1.171 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.916 2.874 1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.467 2.785 1.870 1.00 0.00 H new ATOM 473 N VAL A 32 8.246 3.451 3.056 1.00 0.00 N ATOM 474 CA VAL A 32 7.606 4.613 3.651 1.00 0.00 C ATOM 475 C VAL A 32 7.270 4.313 5.112 1.00 0.00 C ATOM 476 O VAL A 32 7.694 5.036 6.012 1.00 0.00 O ATOM 477 CB VAL A 32 6.382 5.014 2.826 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.659 6.204 3.461 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.771 5.319 1.378 1.00 0.00 C ATOM 0 H VAL A 32 7.789 3.094 2.216 1.00 0.00 H new ATOM 0 HA VAL A 32 8.282 5.468 3.643 1.00 0.00 H new ATOM 0 HB VAL A 32 5.694 4.169 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.793 6.469 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.331 5.937 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.338 7.055 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.882 5.601 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.488 6.139 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.220 4.434 0.928 1.00 0.00 H new ATOM 489 N VAL A 33 6.511 3.243 5.304 1.00 0.00 N ATOM 490 CA VAL A 33 6.113 2.838 6.642 1.00 0.00 C ATOM 491 C VAL A 33 7.355 2.728 7.528 1.00 0.00 C ATOM 492 O VAL A 33 7.467 3.423 8.536 1.00 0.00 O ATOM 493 CB VAL A 33 5.307 1.539 6.577 1.00 0.00 C ATOM 494 CG1 VAL A 33 5.233 0.870 7.951 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.907 1.789 6.013 1.00 0.00 C ATOM 0 H VAL A 33 6.161 2.645 4.556 1.00 0.00 H new ATOM 0 HA VAL A 33 5.461 3.588 7.090 1.00 0.00 H new ATOM 0 HB VAL A 33 5.824 0.858 5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.655 -0.051 7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.240 0.639 8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.751 1.545 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.356 0.849 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.378 2.496 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.988 2.200 5.007 1.00 0.00 H new ATOM 505 N VAL A 34 8.258 1.848 7.119 1.00 0.00 N ATOM 506 CA VAL A 34 9.488 1.638 7.864 1.00 0.00 C ATOM 507 C VAL A 34 10.165 2.987 8.112 1.00 0.00 C ATOM 508 O VAL A 34 10.652 3.248 9.211 1.00 0.00 O ATOM 509 CB VAL A 34 10.386 0.647 7.121 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.754 0.533 7.796 1.00 0.00 C ATOM 511 CG2 VAL A 34 9.714 -0.724 7.008 1.00 0.00 C ATOM 0 H VAL A 34 8.162 1.273 6.282 1.00 0.00 H new ATOM 0 HA VAL A 34 9.275 1.197 8.838 1.00 0.00 H new ATOM 0 HB VAL A 34 10.542 1.028 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.372 -0.178 7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.240 1.509 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.626 0.187 8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.373 -1.410 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.514 -1.114 8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.776 -0.625 6.462 1.00 0.00 H new ATOM 521 N GLN A 35 10.174 3.810 7.073 1.00 0.00 N ATOM 522 CA GLN A 35 10.783 5.125 7.166 1.00 0.00 C ATOM 523 C GLN A 35 10.013 5.998 8.159 1.00 0.00 C ATOM 524 O GLN A 35 10.579 6.914 8.756 1.00 0.00 O ATOM 525 CB GLN A 35 10.857 5.793 5.791 1.00 0.00 C ATOM 526 CG GLN A 35 11.876 5.089 4.893 1.00 0.00 C ATOM 527 CD GLN A 35 13.111 5.964 4.673 1.00 0.00 C ATOM 528 OE1 GLN A 35 13.258 7.031 5.247 1.00 0.00 O ATOM 529 NE2 GLN A 35 13.988 5.456 3.812 1.00 0.00 N ATOM 0 H GLN A 35 9.769 3.591 6.163 1.00 0.00 H new ATOM 0 HA GLN A 35 11.803 5.007 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.875 5.771 5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.132 6.841 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.172 4.143 5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.418 4.853 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.803 4.557 3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.845 5.965 3.597 1.00 0.00 H new ATOM 538 N ASN A 36 8.734 5.684 8.306 1.00 0.00 N ATOM 539 CA ASN A 36 7.881 6.429 9.217 1.00 0.00 C ATOM 540 C ASN A 36 7.676 5.615 10.496 1.00 0.00 C ATOM 541 O ASN A 36 6.880 5.993 11.355 1.00 0.00 O ATOM 542 CB ASN A 36 6.507 6.689 8.596 1.00 0.00 C ATOM 543 CG ASN A 36 5.922 8.012 9.093 1.00 0.00 C ATOM 544 OD1 ASN A 36 5.818 8.987 8.366 1.00 0.00 O ATOM 545 ND2 ASN A 36 5.547 7.993 10.369 1.00 0.00 N ATOM 0 H ASN A 36 8.268 4.924 7.810 1.00 0.00 H new ATOM 0 HA ASN A 36 8.366 7.382 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.593 6.711 7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.831 5.872 8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.145 8.828 10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.662 7.143 10.922 1.00 0.00 H new ATOM 552 N ASN A 37 8.405 4.513 10.582 1.00 0.00 N ATOM 553 CA ASN A 37 8.313 3.644 11.742 1.00 0.00 C ATOM 554 C ASN A 37 6.842 3.460 12.121 1.00 0.00 C ATOM 555 O ASN A 37 6.510 3.354 13.300 1.00 0.00 O ATOM 556 CB ASN A 37 9.040 4.249 12.945 1.00 0.00 C ATOM 557 CG ASN A 37 9.908 3.203 13.646 1.00 0.00 C ATOM 558 OD1 ASN A 37 9.464 2.119 13.990 1.00 0.00 O ATOM 559 ND2 ASN A 37 11.167 3.585 13.837 1.00 0.00 N ATOM 0 H ASN A 37 9.062 4.202 9.867 1.00 0.00 H new ATOM 0 HA ASN A 37 8.775 2.691 11.485 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.662 5.082 12.617 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.312 4.653 13.649 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.827 2.957 14.296 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.473 4.506 13.524 1.00 0.00 H new ATOM 566 N LEU A 38 6.000 3.428 11.099 1.00 0.00 N ATOM 567 CA LEU A 38 4.573 3.260 11.310 1.00 0.00 C ATOM 568 C LEU A 38 4.320 1.928 12.019 1.00 0.00 C ATOM 569 O LEU A 38 4.781 0.882 11.565 1.00 0.00 O ATOM 570 CB LEU A 38 3.815 3.407 9.990 1.00 0.00 C ATOM 571 CG LEU A 38 2.755 4.510 9.942 1.00 0.00 C ATOM 572 CD1 LEU A 38 1.641 4.242 10.955 1.00 0.00 C ATOM 573 CD2 LEU A 38 3.390 5.888 10.139 1.00 0.00 C ATOM 0 H LEU A 38 6.279 3.516 10.122 1.00 0.00 H new ATOM 0 HA LEU A 38 4.189 4.046 11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.540 3.593 9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.332 2.456 9.764 1.00 0.00 H new ATOM 0 HG LEU A 38 2.299 4.504 8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.900 5.040 10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.164 3.289 10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.063 4.206 11.959 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.616 6.654 10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.888 5.924 11.108 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.119 6.069 9.349 1.00 0.00 H new ATOM 585 N ASP A 39 3.588 2.011 13.121 1.00 0.00 N ATOM 586 CA ASP A 39 3.269 0.825 13.898 1.00 0.00 C ATOM 587 C ASP A 39 1.936 0.248 13.416 1.00 0.00 C ATOM 588 O ASP A 39 0.889 0.526 13.998 1.00 0.00 O ATOM 589 CB ASP A 39 3.129 1.161 15.384 1.00 0.00 C ATOM 590 CG ASP A 39 3.870 0.217 16.333 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.767 -1.013 16.220 1.00 0.00 O ATOM 592 OD2 ASP A 39 4.588 0.801 17.231 1.00 0.00 O ATOM 0 H ASP A 39 3.207 2.881 13.494 1.00 0.00 H new ATOM 0 HA ASP A 39 4.079 0.107 13.765 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.493 2.175 15.548 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.070 1.156 15.644 1.00 0.00 H new ATOM 598 N ILE A 40 2.018 -0.543 12.356 1.00 0.00 N ATOM 599 CA ILE A 40 0.832 -1.160 11.789 1.00 0.00 C ATOM 600 C ILE A 40 1.084 -2.657 11.596 1.00 0.00 C ATOM 601 O ILE A 40 2.115 -3.052 11.053 1.00 0.00 O ATOM 602 CB ILE A 40 0.411 -0.437 10.509 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.047 1.021 10.796 1.00 0.00 C ATOM 604 CG2 ILE A 40 -0.724 -1.184 9.805 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.305 1.903 9.572 1.00 0.00 C ATOM 0 H ILE A 40 2.888 -0.771 11.875 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.011 -1.064 12.473 1.00 0.00 H new ATOM 0 HB ILE A 40 1.261 -0.427 9.827 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.003 1.088 11.082 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.631 1.386 11.641 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.004 -0.649 8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.392 -2.189 9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.585 -1.247 10.470 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.038 2.934 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.360 1.853 9.304 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.299 1.551 8.736 1.00 0.00 H new ATOM 617 N ASP A 41 0.125 -3.449 12.050 1.00 0.00 N ATOM 618 CA ASP A 41 0.230 -4.894 11.934 1.00 0.00 C ATOM 619 C ASP A 41 -0.246 -5.326 10.545 1.00 0.00 C ATOM 620 O ASP A 41 -1.413 -5.666 10.363 1.00 0.00 O ATOM 621 CB ASP A 41 -0.647 -5.596 12.973 1.00 0.00 C ATOM 622 CG ASP A 41 0.110 -6.193 14.161 1.00 0.00 C ATOM 623 OD1 ASP A 41 1.218 -6.729 14.007 1.00 0.00 O ATOM 624 OD2 ASP A 41 -0.491 -6.091 15.298 1.00 0.00 O ATOM 0 H ASP A 41 -0.729 -3.118 12.499 1.00 0.00 H new ATOM 0 HA ASP A 41 1.272 -5.170 12.096 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.380 -4.882 13.350 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.203 -6.392 12.479 1.00 0.00 H new ATOM 630 N GLY A 42 0.684 -5.297 9.601 1.00 0.00 N ATOM 631 CA GLY A 42 0.374 -5.681 8.234 1.00 0.00 C ATOM 632 C GLY A 42 1.579 -5.462 7.317 1.00 0.00 C ATOM 633 O GLY A 42 1.786 -6.217 6.368 1.00 0.00 O ATOM 0 H GLY A 42 1.652 -5.014 9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.076 -6.729 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.474 -5.099 7.872 1.00 0.00 H new ATOM 637 N PHE A 43 2.341 -4.426 7.633 1.00 0.00 N ATOM 638 CA PHE A 43 3.520 -4.098 6.849 1.00 0.00 C ATOM 639 C PHE A 43 4.230 -5.365 6.369 1.00 0.00 C ATOM 640 O PHE A 43 4.361 -6.329 7.122 1.00 0.00 O ATOM 641 CB PHE A 43 4.462 -3.314 7.765 1.00 0.00 C ATOM 642 CG PHE A 43 5.937 -3.417 7.373 1.00 0.00 C ATOM 643 CD1 PHE A 43 6.422 -2.673 6.341 1.00 0.00 C ATOM 644 CD2 PHE A 43 6.766 -4.252 8.056 1.00 0.00 C ATOM 645 CE1 PHE A 43 7.790 -2.769 5.978 1.00 0.00 C ATOM 646 CE2 PHE A 43 8.136 -4.347 7.693 1.00 0.00 C ATOM 647 CZ PHE A 43 8.619 -3.604 6.662 1.00 0.00 C ATOM 0 H PHE A 43 2.165 -3.803 8.421 1.00 0.00 H new ATOM 0 HA PHE A 43 3.234 -3.521 5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.167 -2.265 7.760 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.342 -3.674 8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.765 -2.009 5.798 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.382 -4.843 8.875 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.174 -2.179 5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.794 -5.009 8.236 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.661 -3.676 6.386 1.00 0.00 H new ATOM 657 N GLY A 44 4.669 -5.323 5.120 1.00 0.00 N ATOM 658 CA GLY A 44 5.362 -6.456 4.532 1.00 0.00 C ATOM 659 C GLY A 44 6.546 -6.887 5.402 1.00 0.00 C ATOM 660 O GLY A 44 6.930 -6.175 6.328 1.00 0.00 O ATOM 0 H GLY A 44 4.558 -4.522 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.670 -7.290 4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.715 -6.193 3.535 1.00 0.00 H new ATOM 664 N ALA A 45 7.089 -8.049 5.072 1.00 0.00 N ATOM 665 CA ALA A 45 8.221 -8.583 5.810 1.00 0.00 C ATOM 666 C ALA A 45 9.343 -8.936 4.833 1.00 0.00 C ATOM 667 O ALA A 45 10.542 -8.579 4.960 1.00 0.00 O ATOM 668 CB ALA A 45 7.767 -9.788 6.639 1.00 0.00 C ATOM 0 H ALA A 45 6.766 -8.636 4.303 1.00 0.00 H new ATOM 0 HA ALA A 45 8.612 -7.839 6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.616 -10.189 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.991 -9.477 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.370 -10.557 5.976 1.00 0.00 H new ATOM 674 N CYS A 46 8.970 -9.672 3.796 1.00 0.00 N ATOM 675 CA CYS A 46 9.875 -10.120 2.750 1.00 0.00 C ATOM 676 C CYS A 46 10.407 -8.991 1.890 1.00 0.00 C ATOM 677 O CYS A 46 11.180 -9.283 0.978 1.00 0.00 O ATOM 678 CB CYS A 46 9.260 -11.214 1.888 1.00 0.00 C ATOM 679 SG CYS A 46 8.023 -10.737 0.661 1.00 0.00 S ATOM 0 H CYS A 46 8.008 -9.981 3.656 1.00 0.00 H new ATOM 0 HA CYS A 46 10.731 -10.544 3.275 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.071 -11.721 1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.804 -11.946 2.554 1.00 0.00 H new ATOM 684 N GLU A 47 9.996 -7.761 2.159 1.00 0.00 N ATOM 685 CA GLU A 47 10.448 -6.630 1.366 1.00 0.00 C ATOM 686 C GLU A 47 9.570 -6.470 0.123 1.00 0.00 C ATOM 687 O GLU A 47 9.710 -5.499 -0.619 1.00 0.00 O ATOM 688 CB GLU A 47 11.920 -6.783 0.981 1.00 0.00 C ATOM 689 CG GLU A 47 12.608 -5.420 0.889 1.00 0.00 C ATOM 690 CD GLU A 47 13.323 -5.078 2.198 1.00 0.00 C ATOM 691 OE1 GLU A 47 14.142 -5.871 2.683 1.00 0.00 O ATOM 692 OE2 GLU A 47 13.002 -3.939 2.714 1.00 0.00 O ATOM 0 H GLU A 47 9.355 -7.522 2.915 1.00 0.00 H new ATOM 0 HA GLU A 47 10.357 -5.728 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.430 -7.402 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.997 -7.299 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.326 -5.426 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.870 -4.651 0.662 1.00 0.00 H new ATOM 700 N GLY A 48 8.683 -7.436 -0.064 1.00 0.00 N ATOM 701 CA GLY A 48 7.782 -7.414 -1.204 1.00 0.00 C ATOM 702 C GLY A 48 8.317 -8.285 -2.342 1.00 0.00 C ATOM 703 O GLY A 48 7.996 -8.057 -3.508 1.00 0.00 O ATOM 0 H GLY A 48 8.569 -8.239 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.797 -7.770 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.657 -6.389 -1.554 1.00 0.00 H new ATOM 707 N THR A 49 9.123 -9.266 -1.965 1.00 0.00 N ATOM 708 CA THR A 49 9.705 -10.174 -2.939 1.00 0.00 C ATOM 709 C THR A 49 8.847 -11.432 -3.076 1.00 0.00 C ATOM 710 O THR A 49 9.235 -12.382 -3.754 1.00 0.00 O ATOM 711 CB THR A 49 11.146 -10.464 -2.514 1.00 0.00 C ATOM 712 OG1 THR A 49 11.007 -11.254 -1.335 1.00 0.00 O ATOM 713 CG2 THR A 49 11.880 -9.210 -2.036 1.00 0.00 C ATOM 0 H THR A 49 9.387 -9.452 -0.998 1.00 0.00 H new ATOM 0 HA THR A 49 9.728 -9.726 -3.932 1.00 0.00 H new ATOM 0 HB THR A 49 11.689 -10.906 -3.350 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.055 -10.675 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.898 -9.472 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.909 -8.476 -2.842 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.357 -8.787 -1.179 1.00 0.00 H new ATOM 721 N LEU A 50 7.695 -11.398 -2.423 1.00 0.00 N ATOM 722 CA LEU A 50 6.777 -12.524 -2.464 1.00 0.00 C ATOM 723 C LEU A 50 7.348 -13.672 -1.628 1.00 0.00 C ATOM 724 O LEU A 50 7.917 -14.617 -2.170 1.00 0.00 O ATOM 725 CB LEU A 50 6.469 -12.912 -3.911 1.00 0.00 C ATOM 726 CG LEU A 50 5.948 -11.789 -4.810 1.00 0.00 C ATOM 727 CD1 LEU A 50 5.706 -12.295 -6.234 1.00 0.00 C ATOM 728 CD2 LEU A 50 4.699 -11.142 -4.211 1.00 0.00 C ATOM 0 H LEU A 50 7.376 -10.608 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 50 5.819 -12.251 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.376 -13.317 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.732 -13.715 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 50 6.713 -11.015 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.336 -11.477 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.641 -12.671 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.969 -13.098 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.349 -10.347 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.917 -11.893 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.939 -10.724 -3.234 1.00 0.00 H new ATOM 740 N ALA A 51 7.175 -13.550 -0.320 1.00 0.00 N ATOM 741 CA ALA A 51 7.665 -14.566 0.597 1.00 0.00 C ATOM 742 C ALA A 51 7.241 -14.207 2.023 1.00 0.00 C ATOM 743 O ALA A 51 7.948 -14.515 2.981 1.00 0.00 O ATOM 744 CB ALA A 51 9.183 -14.691 0.455 1.00 0.00 C ATOM 0 H ALA A 51 6.703 -12.764 0.127 1.00 0.00 H new ATOM 0 HA ALA A 51 7.233 -15.538 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.551 -15.453 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.431 -14.975 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.650 -13.735 0.689 1.00 0.00 H new ATOM 750 N CYS A 52 6.088 -13.561 2.118 1.00 0.00 N ATOM 751 CA CYS A 52 5.561 -13.157 3.411 1.00 0.00 C ATOM 752 C CYS A 52 4.037 -13.276 3.367 1.00 0.00 C ATOM 753 O CYS A 52 3.425 -13.810 4.291 1.00 0.00 O ATOM 754 CB CYS A 52 6.013 -11.745 3.790 1.00 0.00 C ATOM 755 SG CYS A 52 5.317 -10.528 2.613 1.00 0.00 S ATOM 0 H CYS A 52 5.504 -13.307 1.321 1.00 0.00 H new ATOM 0 HA CYS A 52 5.953 -13.814 4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.688 -11.510 4.804 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.102 -11.689 3.783 1.00 0.00 H new ATOM 0 HG CYS A 52 6.050 -10.494 1.540 1.00 0.00 H new ATOM 761 N SER A 53 3.467 -12.770 2.283 1.00 0.00 N ATOM 762 CA SER A 53 2.025 -12.813 2.107 1.00 0.00 C ATOM 763 C SER A 53 1.348 -11.868 3.101 1.00 0.00 C ATOM 764 O SER A 53 0.121 -11.838 3.198 1.00 0.00 O ATOM 765 CB SER A 53 1.491 -14.236 2.278 1.00 0.00 C ATOM 766 OG SER A 53 0.870 -14.424 3.547 1.00 0.00 O ATOM 0 H SER A 53 3.977 -12.328 1.518 1.00 0.00 H new ATOM 0 HA SER A 53 1.795 -12.488 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.772 -14.451 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.310 -14.947 2.166 1.00 0.00 H new ATOM 0 HG SER A 53 1.525 -14.266 4.258 1.00 0.00 H new ATOM 772 N THR A 54 2.175 -11.120 3.816 1.00 0.00 N ATOM 773 CA THR A 54 1.672 -10.177 4.800 1.00 0.00 C ATOM 774 C THR A 54 2.069 -8.748 4.423 1.00 0.00 C ATOM 775 O THR A 54 2.816 -8.095 5.150 1.00 0.00 O ATOM 776 CB THR A 54 2.186 -10.608 6.174 1.00 0.00 C ATOM 777 OG1 THR A 54 3.599 -10.682 6.008 1.00 0.00 O ATOM 778 CG2 THR A 54 1.776 -12.038 6.532 1.00 0.00 C ATOM 0 H THR A 54 3.191 -11.148 3.733 1.00 0.00 H new ATOM 0 HA THR A 54 0.582 -10.180 4.829 1.00 0.00 H new ATOM 0 HB THR A 54 1.809 -9.923 6.933 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.949 -9.795 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.167 -12.293 7.517 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.689 -12.113 6.543 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.180 -12.728 5.792 1.00 0.00 H new ATOM 786 N CYS A 55 1.553 -8.305 3.286 1.00 0.00 N ATOM 787 CA CYS A 55 1.845 -6.966 2.803 1.00 0.00 C ATOM 788 C CYS A 55 0.700 -6.526 1.887 1.00 0.00 C ATOM 789 O CYS A 55 0.916 -5.779 0.935 1.00 0.00 O ATOM 790 CB CYS A 55 3.199 -6.904 2.093 1.00 0.00 C ATOM 791 SG CYS A 55 3.035 -7.512 0.376 1.00 0.00 S ATOM 0 H CYS A 55 0.934 -8.850 2.685 1.00 0.00 H new ATOM 0 HA CYS A 55 1.919 -6.280 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.571 -5.879 2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.930 -7.507 2.633 1.00 0.00 H new ATOM 0 HG CYS A 55 4.149 -8.070 0.005 1.00 0.00 H new ATOM 797 N HIS A 56 -0.492 -7.006 2.210 1.00 0.00 N ATOM 798 CA HIS A 56 -1.670 -6.671 1.429 1.00 0.00 C ATOM 799 C HIS A 56 -2.406 -5.503 2.087 1.00 0.00 C ATOM 800 O HIS A 56 -2.646 -5.515 3.294 1.00 0.00 O ATOM 801 CB HIS A 56 -2.561 -7.899 1.236 1.00 0.00 C ATOM 802 CG HIS A 56 -2.816 -8.679 2.503 1.00 0.00 C ATOM 803 ND1 HIS A 56 -1.843 -9.447 3.120 1.00 0.00 N ATOM 804 CD2 HIS A 56 -3.941 -8.802 3.264 1.00 0.00 C ATOM 805 CE1 HIS A 56 -2.370 -10.002 4.201 1.00 0.00 C ATOM 0 H HIS A 56 -0.667 -7.624 3.002 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.370 -6.351 0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.516 -7.580 0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.098 -8.559 0.502 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -0.883 -9.565 2.797 1.00 0.00 H new ATOM 814 N LEU A 57 -2.744 -4.520 1.265 1.00 0.00 N ATOM 815 CA LEU A 57 -3.449 -3.346 1.751 1.00 0.00 C ATOM 816 C LEU A 57 -4.765 -3.193 0.987 1.00 0.00 C ATOM 817 O LEU A 57 -5.018 -3.919 0.027 1.00 0.00 O ATOM 818 CB LEU A 57 -2.548 -2.111 1.677 1.00 0.00 C ATOM 819 CG LEU A 57 -1.449 -2.018 2.738 1.00 0.00 C ATOM 820 CD1 LEU A 57 -0.078 -1.815 2.090 1.00 0.00 C ATOM 821 CD2 LEU A 57 -1.767 -0.927 3.763 1.00 0.00 C ATOM 0 H LEU A 57 -2.543 -4.513 0.265 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.704 -3.464 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.079 -2.086 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.175 -1.223 1.753 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.413 -2.965 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.685 -1.752 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.142 -2.656 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.083 -0.892 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.970 -0.882 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.847 0.035 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.711 -1.156 4.257 1.00 0.00 H new ATOM 833 N ILE A 58 -5.571 -2.244 1.443 1.00 0.00 N ATOM 834 CA ILE A 58 -6.855 -1.986 0.814 1.00 0.00 C ATOM 835 C ILE A 58 -6.887 -0.545 0.301 1.00 0.00 C ATOM 836 O ILE A 58 -6.941 0.397 1.090 1.00 0.00 O ATOM 837 CB ILE A 58 -7.998 -2.324 1.772 1.00 0.00 C ATOM 838 CG1 ILE A 58 -7.581 -3.417 2.759 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.266 -2.699 1.003 1.00 0.00 C ATOM 840 CD1 ILE A 58 -8.798 -3.992 3.487 1.00 0.00 C ATOM 0 H ILE A 58 -5.359 -1.645 2.241 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.993 -2.635 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.228 -1.433 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.061 -4.214 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.878 -3.008 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.063 -2.935 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.572 -1.862 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.068 -3.568 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.474 -4.766 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.301 -3.197 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.487 -4.422 2.760 1.00 0.00 H new ATOM 852 N PHE A 59 -6.853 -0.419 -1.017 1.00 0.00 N ATOM 853 CA PHE A 59 -6.878 0.892 -1.645 1.00 0.00 C ATOM 854 C PHE A 59 -8.311 1.411 -1.772 1.00 0.00 C ATOM 855 O PHE A 59 -9.194 0.698 -2.245 1.00 0.00 O ATOM 856 CB PHE A 59 -6.280 0.729 -3.043 1.00 0.00 C ATOM 857 CG PHE A 59 -5.191 -0.340 -3.135 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.426 -0.626 -2.047 1.00 0.00 C ATOM 859 CD2 PHE A 59 -4.986 -1.006 -4.304 1.00 0.00 C ATOM 860 CE1 PHE A 59 -3.414 -1.619 -2.132 1.00 0.00 C ATOM 861 CE2 PHE A 59 -3.974 -1.998 -4.389 1.00 0.00 C ATOM 862 CZ PHE A 59 -3.209 -2.284 -3.301 1.00 0.00 C ATOM 0 H PHE A 59 -6.808 -1.203 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.315 1.605 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.079 0.480 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.864 1.685 -3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.588 -0.098 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.594 -0.780 -5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.807 -1.846 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.811 -2.526 -5.317 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.439 -3.039 -3.365 1.00 0.00 H new ATOM 872 N GLU A 60 -8.497 2.651 -1.341 1.00 0.00 N ATOM 873 CA GLU A 60 -9.807 3.274 -1.400 1.00 0.00 C ATOM 874 C GLU A 60 -10.553 2.825 -2.658 1.00 0.00 C ATOM 875 O GLU A 60 -9.932 2.476 -3.661 1.00 0.00 O ATOM 876 CB GLU A 60 -9.692 4.799 -1.347 1.00 0.00 C ATOM 877 CG GLU A 60 -10.233 5.344 -0.024 1.00 0.00 C ATOM 878 CD GLU A 60 -10.659 6.807 -0.167 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.937 7.606 -0.781 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.786 7.103 0.387 1.00 0.00 O ATOM 0 H GLU A 60 -7.762 3.240 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.378 2.954 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.649 5.093 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.244 5.238 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.083 4.744 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.469 5.258 0.749 1.00 0.00 H new ATOM 888 N GLN A 61 -11.875 2.846 -2.563 1.00 0.00 N ATOM 889 CA GLN A 61 -12.711 2.444 -3.682 1.00 0.00 C ATOM 890 C GLN A 61 -12.583 3.448 -4.829 1.00 0.00 C ATOM 891 O GLN A 61 -13.446 4.306 -5.008 1.00 0.00 O ATOM 892 CB GLN A 61 -14.170 2.292 -3.248 1.00 0.00 C ATOM 893 CG GLN A 61 -14.414 0.922 -2.612 1.00 0.00 C ATOM 894 CD GLN A 61 -15.752 0.335 -3.068 1.00 0.00 C ATOM 895 OE1 GLN A 61 -16.778 0.496 -2.430 1.00 0.00 O ATOM 896 NE2 GLN A 61 -15.682 -0.352 -4.205 1.00 0.00 N ATOM 0 H GLN A 61 -12.387 3.135 -1.729 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.367 1.472 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.425 3.078 -2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.825 2.418 -4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.605 0.243 -2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.405 1.015 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.789 -0.448 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.521 -0.783 -4.593 1.00 0.00 H new ATOM 905 N HIS A 62 -11.497 3.309 -5.576 1.00 0.00 N ATOM 906 CA HIS A 62 -11.244 4.194 -6.700 1.00 0.00 C ATOM 907 C HIS A 62 -9.759 4.149 -7.065 1.00 0.00 C ATOM 908 O HIS A 62 -9.391 4.381 -8.216 1.00 0.00 O ATOM 909 CB HIS A 62 -11.738 5.611 -6.399 1.00 0.00 C ATOM 910 CG HIS A 62 -10.995 6.692 -7.148 1.00 0.00 C ATOM 911 ND1 HIS A 62 -9.668 6.997 -6.902 1.00 0.00 N ATOM 912 CD2 HIS A 62 -11.408 7.533 -8.138 1.00 0.00 C ATOM 913 CE1 HIS A 62 -9.308 7.981 -7.713 1.00 0.00 C ATOM 0 H HIS A 62 -10.783 2.597 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.807 3.853 -7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.798 5.675 -6.645 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.648 5.797 -5.329 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -9.069 6.542 -6.213 1.00 0.00 H new ATOM 922 N ILE A 63 -8.946 3.847 -6.064 1.00 0.00 N ATOM 923 CA ILE A 63 -7.509 3.768 -6.265 1.00 0.00 C ATOM 924 C ILE A 63 -7.167 2.446 -6.954 1.00 0.00 C ATOM 925 O ILE A 63 -6.431 2.428 -7.941 1.00 0.00 O ATOM 926 CB ILE A 63 -6.771 3.981 -4.942 1.00 0.00 C ATOM 927 CG1 ILE A 63 -7.367 5.157 -4.165 1.00 0.00 C ATOM 928 CG2 ILE A 63 -5.267 4.151 -5.174 1.00 0.00 C ATOM 929 CD1 ILE A 63 -6.413 5.628 -3.065 1.00 0.00 C ATOM 0 H ILE A 63 -9.255 3.654 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.172 4.568 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.904 3.089 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.575 5.981 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.319 4.861 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.766 4.301 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.870 3.257 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.093 5.016 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.861 6.464 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.226 4.809 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.471 5.946 -3.512 1.00 0.00 H new ATOM 941 N PHE A 64 -7.715 1.371 -6.406 1.00 0.00 N ATOM 942 CA PHE A 64 -7.477 0.047 -6.956 1.00 0.00 C ATOM 943 C PHE A 64 -7.895 -0.019 -8.426 1.00 0.00 C ATOM 944 O PHE A 64 -7.217 -0.645 -9.241 1.00 0.00 O ATOM 945 CB PHE A 64 -8.333 -0.932 -6.150 1.00 0.00 C ATOM 946 CG PHE A 64 -8.581 -2.268 -6.856 1.00 0.00 C ATOM 947 CD1 PHE A 64 -9.615 -2.392 -7.730 1.00 0.00 C ATOM 948 CD2 PHE A 64 -7.768 -3.329 -6.608 1.00 0.00 C ATOM 949 CE1 PHE A 64 -9.845 -3.631 -8.385 1.00 0.00 C ATOM 950 CE2 PHE A 64 -7.999 -4.569 -7.262 1.00 0.00 C ATOM 951 CZ PHE A 64 -9.032 -4.693 -8.136 1.00 0.00 C ATOM 0 H PHE A 64 -8.323 1.390 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.416 -0.196 -6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.846 -1.123 -5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.293 -0.465 -5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.261 -1.549 -7.926 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.947 -3.229 -5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.665 -3.730 -9.081 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.354 -5.412 -7.065 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.208 -5.635 -8.633 1.00 0.00 H new ATOM 961 N GLU A 65 -9.008 0.635 -8.723 1.00 0.00 N ATOM 962 CA GLU A 65 -9.524 0.657 -10.080 1.00 0.00 C ATOM 963 C GLU A 65 -8.536 1.361 -11.012 1.00 0.00 C ATOM 964 O GLU A 65 -8.670 1.292 -12.233 1.00 0.00 O ATOM 965 CB GLU A 65 -10.899 1.328 -10.134 1.00 0.00 C ATOM 966 CG GLU A 65 -10.765 2.845 -10.270 1.00 0.00 C ATOM 967 CD GLU A 65 -11.070 3.297 -11.699 1.00 0.00 C ATOM 968 OE1 GLU A 65 -11.737 2.571 -12.450 1.00 0.00 O ATOM 969 OE2 GLU A 65 -10.588 4.449 -12.022 1.00 0.00 O ATOM 0 H GLU A 65 -9.567 1.154 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.644 -0.372 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.467 0.933 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.460 1.089 -9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.446 3.337 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.755 3.150 -9.996 1.00 0.00 H new ATOM 977 N LYS A 66 -7.564 2.023 -10.401 1.00 0.00 N ATOM 978 CA LYS A 66 -6.553 2.739 -11.161 1.00 0.00 C ATOM 979 C LYS A 66 -5.272 1.904 -11.209 1.00 0.00 C ATOM 980 O LYS A 66 -4.721 1.666 -12.283 1.00 0.00 O ATOM 981 CB LYS A 66 -6.350 4.144 -10.591 1.00 0.00 C ATOM 982 CG LYS A 66 -7.522 5.057 -10.955 1.00 0.00 C ATOM 983 CD LYS A 66 -7.175 6.525 -10.699 1.00 0.00 C ATOM 984 CE LYS A 66 -7.305 7.351 -11.981 1.00 0.00 C ATOM 0 H LYS A 66 -7.455 2.079 -9.388 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.880 2.882 -12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.250 4.090 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.422 4.566 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.782 4.919 -12.004 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.399 4.780 -10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.836 6.930 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.158 6.600 -10.315 1.00 0.00 H new ATOM 998 N LEU A 67 -4.834 1.482 -10.031 1.00 0.00 N ATOM 999 CA LEU A 67 -3.627 0.678 -9.926 1.00 0.00 C ATOM 1000 C LEU A 67 -3.617 -0.366 -11.043 1.00 0.00 C ATOM 1001 O LEU A 67 -4.649 -0.637 -11.656 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.503 0.081 -8.524 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.605 1.071 -7.361 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -3.119 0.437 -6.056 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -2.862 2.370 -7.679 1.00 0.00 C ATOM 0 H LEU A 67 -5.293 1.681 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.741 1.299 -10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.280 -0.673 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.545 -0.434 -8.454 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.655 1.327 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.202 1.162 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.730 -0.436 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.078 0.133 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.951 3.055 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.810 2.152 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.296 2.829 -8.567 1.00 0.00 H new ATOM 1017 N GLU A 68 -2.438 -0.927 -11.273 1.00 0.00 N ATOM 1018 CA GLU A 68 -2.280 -1.938 -12.306 1.00 0.00 C ATOM 1019 C GLU A 68 -2.886 -3.266 -11.848 1.00 0.00 C ATOM 1020 O GLU A 68 -3.520 -3.332 -10.796 1.00 0.00 O ATOM 1021 CB GLU A 68 -0.807 -2.108 -12.684 1.00 0.00 C ATOM 1022 CG GLU A 68 -0.142 -0.752 -12.926 1.00 0.00 C ATOM 1023 CD GLU A 68 -0.156 -0.393 -14.415 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -1.152 -0.653 -15.106 1.00 0.00 O ATOM 1025 OE2 GLU A 68 0.917 0.179 -14.847 1.00 0.00 O ATOM 0 H GLU A 68 -1.584 -0.701 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.814 -1.607 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.283 -2.637 -11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.727 -2.721 -13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.662 0.019 -12.357 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.886 -0.777 -12.564 1.00 0.00 H new ATOM 1033 N ALA A 69 -2.670 -4.290 -12.660 1.00 0.00 N ATOM 1034 CA ALA A 69 -3.187 -5.612 -12.351 1.00 0.00 C ATOM 1035 C ALA A 69 -2.065 -6.468 -11.762 1.00 0.00 C ATOM 1036 O ALA A 69 -0.994 -5.958 -11.437 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.793 -6.231 -13.612 1.00 0.00 C ATOM 0 H ALA A 69 -2.144 -4.231 -13.532 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.980 -5.550 -11.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.181 -7.223 -13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.605 -5.599 -13.973 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.026 -6.312 -14.382 1.00 0.00 H new ATOM 1043 N ILE A 70 -2.348 -7.757 -11.642 1.00 0.00 N ATOM 1044 CA ILE A 70 -1.377 -8.690 -11.098 1.00 0.00 C ATOM 1045 C ILE A 70 -1.453 -10.008 -11.871 1.00 0.00 C ATOM 1046 O ILE A 70 -2.498 -10.349 -12.421 1.00 0.00 O ATOM 1047 CB ILE A 70 -1.574 -8.850 -9.589 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -0.236 -9.073 -8.881 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -2.577 -9.964 -9.282 1.00 0.00 C ATOM 1050 CD1 ILE A 70 0.254 -7.786 -8.216 1.00 0.00 C ATOM 0 H ILE A 70 -3.237 -8.177 -11.913 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.366 -8.304 -11.225 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.993 -7.922 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.344 -9.856 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.506 -9.420 -9.600 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.699 -10.057 -8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.538 -9.723 -9.736 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.210 -10.906 -9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.207 -7.973 -7.720 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.384 -7.012 -8.973 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.479 -7.455 -7.481 1.00 0.00 H new ATOM 1062 N THR A 71 -0.331 -10.713 -11.887 1.00 0.00 N ATOM 1063 CA THR A 71 -0.257 -11.986 -12.584 1.00 0.00 C ATOM 1064 C THR A 71 -0.804 -13.109 -11.702 1.00 0.00 C ATOM 1065 O THR A 71 -1.301 -12.856 -10.605 1.00 0.00 O ATOM 1066 CB THR A 71 1.194 -12.205 -13.016 1.00 0.00 C ATOM 1067 OG1 THR A 71 1.958 -11.821 -11.876 1.00 0.00 O ATOM 1068 CG2 THR A 71 1.634 -11.225 -14.107 1.00 0.00 C ATOM 0 H THR A 71 0.534 -10.427 -11.429 1.00 0.00 H new ATOM 0 HA THR A 71 -0.881 -11.984 -13.478 1.00 0.00 H new ATOM 0 HB THR A 71 1.315 -13.227 -13.375 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.912 -11.933 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.671 -11.423 -14.377 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.000 -11.349 -14.985 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.545 -10.204 -13.736 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.694 -14.327 -12.212 1.00 0.00 N ATOM 1077 CA ASP A 72 -1.172 -15.490 -11.484 1.00 0.00 C ATOM 1078 C ASP A 72 -0.260 -15.743 -10.281 1.00 0.00 C ATOM 1079 O ASP A 72 -0.723 -15.760 -9.141 1.00 0.00 O ATOM 1080 CB ASP A 72 -1.147 -16.740 -12.366 1.00 0.00 C ATOM 1081 CG ASP A 72 0.123 -16.918 -13.200 1.00 0.00 C ATOM 1082 OD1 ASP A 72 0.672 -15.948 -13.743 1.00 0.00 O ATOM 1083 OD2 ASP A 72 0.555 -18.131 -13.283 1.00 0.00 O ATOM 0 H ASP A 72 -0.281 -14.534 -13.121 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.196 -15.292 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.272 -17.617 -11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.004 -16.709 -13.039 1.00 0.00 H new ATOM 1089 N GLU A 73 1.017 -15.931 -10.576 1.00 0.00 N ATOM 1090 CA GLU A 73 1.997 -16.182 -9.532 1.00 0.00 C ATOM 1091 C GLU A 73 1.761 -15.243 -8.347 1.00 0.00 C ATOM 1092 O GLU A 73 1.675 -15.691 -7.204 1.00 0.00 O ATOM 1093 CB GLU A 73 3.421 -16.037 -10.072 1.00 0.00 C ATOM 1094 CG GLU A 73 4.405 -15.720 -8.944 1.00 0.00 C ATOM 1095 CD GLU A 73 5.851 -15.828 -9.431 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.181 -15.320 -10.512 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.646 -16.468 -8.640 1.00 0.00 O ATOM 0 H GLU A 73 1.397 -15.915 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 73 1.878 -17.209 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.720 -16.958 -10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.451 -15.244 -10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.219 -14.715 -8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.245 -16.407 -8.113 1.00 0.00 H new ATOM 1105 N GLU A 74 1.663 -13.960 -8.660 1.00 0.00 N ATOM 1106 CA GLU A 74 1.439 -12.954 -7.635 1.00 0.00 C ATOM 1107 C GLU A 74 0.046 -13.120 -7.025 1.00 0.00 C ATOM 1108 O GLU A 74 -0.144 -12.892 -5.830 1.00 0.00 O ATOM 1109 CB GLU A 74 1.627 -11.544 -8.199 1.00 0.00 C ATOM 1110 CG GLU A 74 3.027 -11.373 -8.791 1.00 0.00 C ATOM 1111 CD GLU A 74 3.305 -9.907 -9.126 1.00 0.00 C ATOM 1112 OE1 GLU A 74 2.659 -9.342 -10.021 1.00 0.00 O ATOM 1113 OE2 GLU A 74 4.229 -9.351 -8.419 1.00 0.00 O ATOM 0 H GLU A 74 1.735 -13.593 -9.609 1.00 0.00 H new ATOM 0 HA GLU A 74 2.179 -13.095 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.878 -11.353 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.470 -10.809 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.772 -11.735 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.122 -11.980 -9.692 1.00 0.00 H new ATOM 1121 N ASN A 75 -0.893 -13.515 -7.872 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.263 -13.713 -7.431 1.00 0.00 C ATOM 1123 C ASN A 75 -2.288 -14.753 -6.309 1.00 0.00 C ATOM 1124 O ASN A 75 -3.129 -14.686 -5.413 1.00 0.00 O ATOM 1125 CB ASN A 75 -3.140 -14.229 -8.574 1.00 0.00 C ATOM 1126 CG ASN A 75 -4.617 -14.241 -8.170 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -5.050 -15.011 -7.329 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -5.360 -13.346 -8.814 1.00 0.00 N ATOM 0 H ASN A 75 -0.732 -13.703 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.648 -12.754 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.005 -13.599 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.827 -15.236 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.358 -13.274 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.932 -12.732 -9.507 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.357 -15.692 -6.394 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.261 -16.744 -5.398 1.00 0.00 C ATOM 1137 C ASP A 76 -0.778 -16.146 -4.075 1.00 0.00 C ATOM 1138 O ASP A 76 -1.463 -16.246 -3.058 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.257 -17.818 -5.825 1.00 0.00 C ATOM 1140 CG ASP A 76 0.142 -18.804 -4.725 1.00 0.00 C ATOM 1141 OD1 ASP A 76 1.007 -18.510 -3.887 1.00 0.00 O ATOM 1142 OD2 ASP A 76 -0.484 -19.931 -4.750 1.00 0.00 O ATOM 0 H ASP A 76 -0.662 -15.746 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.247 -17.195 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.680 -18.379 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.643 -17.326 -6.195 1.00 0.00 H new ATOM 1148 N MET A 77 0.397 -15.538 -4.131 1.00 0.00 N ATOM 1149 CA MET A 77 0.980 -14.923 -2.950 1.00 0.00 C ATOM 1150 C MET A 77 0.078 -13.813 -2.408 1.00 0.00 C ATOM 1151 O MET A 77 0.132 -13.486 -1.224 1.00 0.00 O ATOM 1152 CB MET A 77 2.350 -14.342 -3.300 1.00 0.00 C ATOM 1153 CG MET A 77 3.093 -13.892 -2.040 1.00 0.00 C ATOM 1154 SD MET A 77 4.027 -15.254 -1.363 1.00 0.00 S ATOM 1155 CE MET A 77 2.781 -16.000 -0.325 1.00 0.00 C ATOM 0 H MET A 77 0.962 -15.458 -4.976 1.00 0.00 H new ATOM 0 HA MET A 77 1.086 -15.688 -2.180 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.942 -15.090 -3.828 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.228 -13.496 -3.976 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.761 -13.065 -2.278 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.382 -13.525 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.213 -16.241 0.646 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.954 -15.303 -0.191 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.414 -16.912 -0.796 1.00 0.00 H new ATOM 1165 N LEU A 78 -0.733 -13.264 -3.302 1.00 0.00 N ATOM 1166 CA LEU A 78 -1.645 -12.197 -2.928 1.00 0.00 C ATOM 1167 C LEU A 78 -2.896 -12.803 -2.287 1.00 0.00 C ATOM 1168 O LEU A 78 -3.387 -12.297 -1.280 1.00 0.00 O ATOM 1169 CB LEU A 78 -1.944 -11.302 -4.133 1.00 0.00 C ATOM 1170 CG LEU A 78 -3.270 -10.540 -4.089 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -4.403 -11.376 -4.687 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -3.589 -10.075 -2.667 1.00 0.00 C ATOM 0 H LEU A 78 -0.777 -13.538 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.187 -11.547 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.135 -10.578 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.932 -11.919 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.170 -9.646 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.334 -10.811 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.171 -11.614 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.512 -12.300 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.537 -9.536 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.662 -10.941 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.796 -9.416 -2.313 1.00 0.00 H new ATOM 1184 N ASP A 79 -3.374 -13.876 -2.898 1.00 0.00 N ATOM 1185 CA ASP A 79 -4.558 -14.556 -2.400 1.00 0.00 C ATOM 1186 C ASP A 79 -4.479 -14.656 -0.875 1.00 0.00 C ATOM 1187 O ASP A 79 -5.435 -14.323 -0.177 1.00 0.00 O ATOM 1188 CB ASP A 79 -4.655 -15.976 -2.962 1.00 0.00 C ATOM 1189 CG ASP A 79 -4.414 -17.092 -1.945 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -5.120 -17.195 -0.930 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -3.441 -17.890 -2.231 1.00 0.00 O ATOM 0 H ASP A 79 -2.963 -14.292 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.432 -13.984 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.644 -16.111 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.932 -16.080 -3.771 1.00 0.00 H new ATOM 1197 N LEU A 80 -3.330 -15.117 -0.403 1.00 0.00 N ATOM 1198 CA LEU A 80 -3.114 -15.266 1.026 1.00 0.00 C ATOM 1199 C LEU A 80 -3.729 -14.070 1.757 1.00 0.00 C ATOM 1200 O LEU A 80 -4.177 -14.198 2.895 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.627 -15.471 1.325 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.285 -16.634 2.259 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -1.990 -16.478 3.609 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -1.601 -17.978 1.599 1.00 0.00 C ATOM 0 H LEU A 80 -2.539 -15.392 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.616 -16.160 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.104 -15.624 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.235 -14.553 1.762 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.212 -16.614 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.730 -17.317 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.673 -15.547 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.069 -16.458 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.349 -18.788 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.663 -18.024 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.017 -18.081 0.685 1.00 0.00 H new ATOM 1216 N ALA A 81 -3.730 -12.936 1.073 1.00 0.00 N ATOM 1217 CA ALA A 81 -4.282 -11.718 1.643 1.00 0.00 C ATOM 1218 C ALA A 81 -5.523 -12.064 2.467 1.00 0.00 C ATOM 1219 O ALA A 81 -6.356 -12.862 2.037 1.00 0.00 O ATOM 1220 CB ALA A 81 -4.584 -10.721 0.523 1.00 0.00 C ATOM 0 H ALA A 81 -3.357 -12.834 0.129 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.563 -11.247 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.998 -9.808 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.664 -10.486 -0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.305 -11.157 -0.168 1.00 0.00 H new ATOM 1226 N TYR A 82 -5.609 -11.446 3.636 1.00 0.00 N ATOM 1227 CA TYR A 82 -6.736 -11.678 4.524 1.00 0.00 C ATOM 1228 C TYR A 82 -7.914 -10.771 4.164 1.00 0.00 C ATOM 1229 O TYR A 82 -7.720 -9.675 3.640 1.00 0.00 O ATOM 1230 CB TYR A 82 -6.245 -11.324 5.929 1.00 0.00 C ATOM 1231 CG TYR A 82 -6.174 -12.519 6.883 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -5.471 -13.650 6.521 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -6.811 -12.464 8.106 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -5.404 -14.774 7.418 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -6.745 -13.589 9.003 1.00 0.00 C ATOM 1236 CZ TYR A 82 -6.045 -14.688 8.615 1.00 0.00 C ATOM 1237 OH TYR A 82 -5.981 -15.749 9.463 1.00 0.00 O ATOM 0 H TYR A 82 -4.917 -10.785 3.989 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.078 -12.710 4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.256 -10.873 5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.908 -10.571 6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.971 -13.692 5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.359 -11.578 8.390 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.857 -15.665 7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.240 -13.560 9.962 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.483 -15.546 10.280 1.00 0.00 H new ATOM 1247 N GLY A 83 -9.108 -11.260 4.461 1.00 0.00 N ATOM 1248 CA GLY A 83 -10.318 -10.507 4.176 1.00 0.00 C ATOM 1249 C GLY A 83 -10.187 -9.736 2.860 1.00 0.00 C ATOM 1250 O GLY A 83 -10.596 -8.580 2.770 1.00 0.00 O ATOM 0 H GLY A 83 -9.264 -12.169 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.169 -11.186 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.518 -9.811 4.991 1.00 0.00 H new ATOM 1254 N LEU A 84 -9.614 -10.409 1.872 1.00 0.00 N ATOM 1255 CA LEU A 84 -9.422 -9.802 0.566 1.00 0.00 C ATOM 1256 C LEU A 84 -10.690 -9.042 0.171 1.00 0.00 C ATOM 1257 O LEU A 84 -11.786 -9.603 0.191 1.00 0.00 O ATOM 1258 CB LEU A 84 -8.994 -10.856 -0.457 1.00 0.00 C ATOM 1259 CG LEU A 84 -7.509 -10.868 -0.826 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -7.160 -12.108 -1.651 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -7.111 -9.574 -1.538 1.00 0.00 C ATOM 0 H LEU A 84 -9.277 -11.368 1.950 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.610 -9.075 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.260 -11.839 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.573 -10.706 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.928 -10.920 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.099 -12.092 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.384 -13.005 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.748 -12.112 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.051 -9.608 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.697 -9.466 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.301 -8.724 -0.882 1.00 0.00 H new ATOM 1273 N THR A 85 -10.501 -7.779 -0.179 1.00 0.00 N ATOM 1274 CA THR A 85 -11.615 -6.937 -0.577 1.00 0.00 C ATOM 1275 C THR A 85 -11.667 -6.806 -2.101 1.00 0.00 C ATOM 1276 O THR A 85 -10.959 -7.516 -2.813 1.00 0.00 O ATOM 1277 CB THR A 85 -11.475 -5.595 0.143 1.00 0.00 C ATOM 1278 OG1 THR A 85 -10.509 -4.885 -0.629 1.00 0.00 O ATOM 1279 CG2 THR A 85 -10.822 -5.734 1.520 1.00 0.00 C ATOM 0 H THR A 85 -9.591 -7.318 -0.195 1.00 0.00 H new ATOM 0 HA THR A 85 -12.568 -7.380 -0.287 1.00 0.00 H new ATOM 0 HB THR A 85 -12.459 -5.138 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.614 -5.234 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.747 -4.752 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.429 -6.389 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.825 -6.160 1.409 1.00 0.00 H new ATOM 1287 N ASP A 86 -12.512 -5.893 -2.556 1.00 0.00 N ATOM 1288 CA ASP A 86 -12.665 -5.660 -3.982 1.00 0.00 C ATOM 1289 C ASP A 86 -11.698 -4.559 -4.421 1.00 0.00 C ATOM 1290 O ASP A 86 -11.816 -4.028 -5.525 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.086 -5.203 -4.316 1.00 0.00 C ATOM 1292 CG ASP A 86 -14.433 -5.202 -5.806 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.285 -6.222 -6.496 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -14.877 -4.080 -6.262 1.00 0.00 O ATOM 0 H ASP A 86 -13.098 -5.306 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.456 -6.595 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.791 -5.850 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.229 -4.196 -3.925 1.00 0.00 H new ATOM 1300 N ARG A 87 -10.764 -4.249 -3.536 1.00 0.00 N ATOM 1301 CA ARG A 87 -9.777 -3.220 -3.818 1.00 0.00 C ATOM 1302 C ARG A 87 -8.471 -3.521 -3.080 1.00 0.00 C ATOM 1303 O ARG A 87 -7.730 -2.606 -2.724 1.00 0.00 O ATOM 1304 CB ARG A 87 -10.285 -1.840 -3.399 1.00 0.00 C ATOM 1305 CG ARG A 87 -10.430 -1.747 -1.879 1.00 0.00 C ATOM 1306 CD ARG A 87 -11.681 -0.954 -1.495 1.00 0.00 C ATOM 1307 NE ARG A 87 -12.890 -1.778 -1.711 1.00 0.00 N ATOM 1308 CZ ARG A 87 -13.397 -2.632 -0.797 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -12.802 -2.779 0.406 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -14.484 -3.321 -1.096 1.00 0.00 N ATOM 0 H ARG A 87 -10.669 -4.692 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.599 -3.218 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.595 -1.073 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.247 -1.644 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.485 -2.749 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.547 -1.269 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.621 -0.649 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.741 -0.043 -2.091 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.371 -1.696 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.964 -2.243 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.191 -3.426 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.928 -3.204 -2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -14.879 -3.970 -0.416 1.00 0.00 H new ATOM 1323 N SER A 88 -8.228 -4.807 -2.874 1.00 0.00 N ATOM 1324 CA SER A 88 -7.024 -5.240 -2.184 1.00 0.00 C ATOM 1325 C SER A 88 -6.121 -6.015 -3.147 1.00 0.00 C ATOM 1326 O SER A 88 -6.587 -6.896 -3.867 1.00 0.00 O ATOM 1327 CB SER A 88 -7.365 -6.100 -0.967 1.00 0.00 C ATOM 1328 OG SER A 88 -7.997 -5.343 0.062 1.00 0.00 O ATOM 0 H SER A 88 -8.844 -5.563 -3.173 1.00 0.00 H new ATOM 0 HA SER A 88 -6.494 -4.355 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.021 -6.916 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.454 -6.553 -0.576 1.00 0.00 H new ATOM 0 HG SER A 88 -7.792 -5.741 0.934 1.00 0.00 H new ATOM 1334 N ARG A 89 -4.845 -5.659 -3.127 1.00 0.00 N ATOM 1335 CA ARG A 89 -3.872 -6.310 -3.988 1.00 0.00 C ATOM 1336 C ARG A 89 -2.452 -5.923 -3.572 1.00 0.00 C ATOM 1337 O ARG A 89 -1.884 -4.969 -4.102 1.00 0.00 O ATOM 1338 CB ARG A 89 -4.091 -5.927 -5.453 1.00 0.00 C ATOM 1339 CG ARG A 89 -3.757 -7.097 -6.382 1.00 0.00 C ATOM 1340 CD ARG A 89 -3.940 -6.702 -7.848 1.00 0.00 C ATOM 1341 NE ARG A 89 -2.907 -5.718 -8.240 1.00 0.00 N ATOM 1342 CZ ARG A 89 -3.035 -4.383 -8.081 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -4.155 -3.862 -7.536 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -2.049 -3.595 -8.467 1.00 0.00 N ATOM 0 H ARG A 89 -4.462 -4.928 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.003 -7.387 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.127 -5.624 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.468 -5.069 -5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.729 -7.418 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.398 -7.947 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.872 -7.586 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.933 -6.278 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.045 -6.070 -8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.913 -4.478 -7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.244 -2.853 -7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.206 -3.997 -8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.130 -2.584 -8.354 1.00 0.00 H new ATOM 1357 N LEU A 90 -1.917 -6.684 -2.628 1.00 0.00 N ATOM 1358 CA LEU A 90 -0.575 -6.432 -2.135 1.00 0.00 C ATOM 1359 C LEU A 90 -0.412 -4.937 -1.850 1.00 0.00 C ATOM 1360 O LEU A 90 -1.388 -4.190 -1.862 1.00 0.00 O ATOM 1361 CB LEU A 90 0.466 -6.990 -3.109 1.00 0.00 C ATOM 1362 CG LEU A 90 0.708 -8.499 -3.040 1.00 0.00 C ATOM 1363 CD1 LEU A 90 2.198 -8.822 -3.170 1.00 0.00 C ATOM 1364 CD2 LEU A 90 0.101 -9.094 -1.769 1.00 0.00 C ATOM 0 H LEU A 90 -2.390 -7.476 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.410 -6.955 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.157 -6.738 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.413 -6.482 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 90 0.203 -8.965 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.342 -9.901 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.568 -8.452 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.746 -8.343 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.287 -10.168 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.556 -8.627 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.974 -8.912 -1.759 1.00 0.00 H new ATOM 1376 N GLY A 91 0.829 -4.547 -1.601 1.00 0.00 N ATOM 1377 CA GLY A 91 1.133 -3.155 -1.314 1.00 0.00 C ATOM 1378 C GLY A 91 2.543 -2.792 -1.785 1.00 0.00 C ATOM 1379 O GLY A 91 2.749 -1.742 -2.389 1.00 0.00 O ATOM 0 H GLY A 91 1.636 -5.170 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.404 -2.511 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.046 -2.974 -0.243 1.00 0.00 H new ATOM 1383 N CYS A 92 3.478 -3.684 -1.489 1.00 0.00 N ATOM 1384 CA CYS A 92 4.863 -3.471 -1.873 1.00 0.00 C ATOM 1385 C CYS A 92 4.917 -3.287 -3.392 1.00 0.00 C ATOM 1386 O CYS A 92 5.295 -2.222 -3.877 1.00 0.00 O ATOM 1387 CB CYS A 92 5.762 -4.618 -1.406 1.00 0.00 C ATOM 1388 SG CYS A 92 7.070 -3.975 -0.298 1.00 0.00 S ATOM 0 H CYS A 92 3.303 -4.555 -0.988 1.00 0.00 H new ATOM 0 HA CYS A 92 5.245 -2.574 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.168 -5.368 -0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.213 -5.112 -2.267 1.00 0.00 H new ATOM 0 HG CYS A 92 8.211 -4.508 -0.619 1.00 0.00 H new ATOM 1394 N GLN A 93 4.534 -4.340 -4.098 1.00 0.00 N ATOM 1395 CA GLN A 93 4.534 -4.307 -5.550 1.00 0.00 C ATOM 1396 C GLN A 93 4.232 -2.893 -6.049 1.00 0.00 C ATOM 1397 O GLN A 93 5.146 -2.098 -6.263 1.00 0.00 O ATOM 1398 CB GLN A 93 3.535 -5.315 -6.122 1.00 0.00 C ATOM 1399 CG GLN A 93 4.040 -6.749 -5.944 1.00 0.00 C ATOM 1400 CD GLN A 93 2.873 -7.732 -5.839 1.00 0.00 C ATOM 1401 OE1 GLN A 93 1.763 -7.381 -5.474 1.00 0.00 O ATOM 1402 NE2 GLN A 93 3.184 -8.979 -6.179 1.00 0.00 N ATOM 0 H GLN A 93 4.221 -5.222 -3.691 1.00 0.00 H new ATOM 0 HA GLN A 93 5.527 -4.591 -5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.572 -5.200 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.373 -5.111 -7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.675 -7.022 -6.787 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.656 -6.813 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.133 -9.205 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.473 -9.710 -6.143 1.00 0.00 H new ATOM 1411 N ILE A 94 2.946 -2.622 -6.220 1.00 0.00 N ATOM 1412 CA ILE A 94 2.512 -1.317 -6.689 1.00 0.00 C ATOM 1413 C ILE A 94 3.347 -0.231 -6.008 1.00 0.00 C ATOM 1414 O ILE A 94 3.578 -0.285 -4.802 1.00 0.00 O ATOM 1415 CB ILE A 94 1.005 -1.150 -6.488 1.00 0.00 C ATOM 1416 CG1 ILE A 94 0.336 -0.632 -7.764 1.00 0.00 C ATOM 1417 CG2 ILE A 94 0.708 -0.256 -5.283 1.00 0.00 C ATOM 1418 CD1 ILE A 94 0.590 0.865 -7.948 1.00 0.00 C ATOM 0 H ILE A 94 2.191 -3.284 -6.042 1.00 0.00 H new ATOM 0 HA ILE A 94 2.680 -1.223 -7.762 1.00 0.00 H new ATOM 0 HB ILE A 94 0.578 -2.130 -6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.718 -1.178 -8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.737 -0.819 -7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.371 -0.154 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.133 -0.704 -4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.150 0.728 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.104 1.207 -8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.185 1.410 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.663 1.046 -8.018 1.00 0.00 H new ATOM 1430 N CYS A 95 3.778 0.730 -6.812 1.00 0.00 N ATOM 1431 CA CYS A 95 4.582 1.828 -6.302 1.00 0.00 C ATOM 1432 C CYS A 95 3.707 3.081 -6.249 1.00 0.00 C ATOM 1433 O CYS A 95 2.635 3.121 -6.852 1.00 0.00 O ATOM 1434 CB CYS A 95 5.841 2.046 -7.145 1.00 0.00 C ATOM 1435 SG CYS A 95 5.381 2.332 -8.894 1.00 0.00 S ATOM 0 H CYS A 95 3.586 0.771 -7.813 1.00 0.00 H new ATOM 0 HA CYS A 95 4.933 1.589 -5.298 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.401 2.900 -6.763 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.494 1.177 -7.070 1.00 0.00 H new ATOM 0 HG CYS A 95 6.456 2.518 -9.601 1.00 0.00 H new ATOM 1441 N LEU A 96 4.196 4.075 -5.522 1.00 0.00 N ATOM 1442 CA LEU A 96 3.472 5.327 -5.382 1.00 0.00 C ATOM 1443 C LEU A 96 3.300 5.969 -6.759 1.00 0.00 C ATOM 1444 O LEU A 96 4.180 5.861 -7.613 1.00 0.00 O ATOM 1445 CB LEU A 96 4.161 6.234 -4.362 1.00 0.00 C ATOM 1446 CG LEU A 96 4.001 5.836 -2.893 1.00 0.00 C ATOM 1447 CD1 LEU A 96 3.996 7.070 -1.988 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.754 4.973 -2.692 1.00 0.00 C ATOM 0 H LEU A 96 5.085 4.039 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 96 2.472 5.146 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.225 6.266 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.776 7.246 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 96 4.861 5.231 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.881 6.759 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.936 7.610 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.167 7.721 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.664 4.704 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.871 5.532 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.838 4.067 -3.292 1.00 0.00 H new ATOM 1460 N THR A 97 2.162 6.624 -6.935 1.00 0.00 N ATOM 1461 CA THR A 97 1.865 7.284 -8.195 1.00 0.00 C ATOM 1462 C THR A 97 1.170 8.623 -7.944 1.00 0.00 C ATOM 1463 O THR A 97 0.928 8.996 -6.798 1.00 0.00 O ATOM 1464 CB THR A 97 1.039 6.321 -9.050 1.00 0.00 C ATOM 1465 OG1 THR A 97 -0.021 5.914 -8.188 1.00 0.00 O ATOM 1466 CG2 THR A 97 1.787 5.023 -9.359 1.00 0.00 C ATOM 0 H THR A 97 1.434 6.712 -6.226 1.00 0.00 H new ATOM 0 HA THR A 97 2.777 7.524 -8.741 1.00 0.00 H new ATOM 0 HB THR A 97 0.762 6.811 -9.983 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.607 5.289 -8.663 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.156 4.376 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.704 5.252 -9.902 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.035 4.515 -8.427 1.00 0.00 H new ATOM 1474 N LYS A 98 0.869 9.311 -9.037 1.00 0.00 N ATOM 1475 CA LYS A 98 0.207 10.601 -8.949 1.00 0.00 C ATOM 1476 C LYS A 98 -1.281 10.388 -8.666 1.00 0.00 C ATOM 1477 O LYS A 98 -1.971 11.307 -8.227 1.00 0.00 O ATOM 1478 CB LYS A 98 0.481 11.430 -10.206 1.00 0.00 C ATOM 1479 CG LYS A 98 1.933 11.911 -10.240 1.00 0.00 C ATOM 1480 CD LYS A 98 2.097 13.098 -11.191 1.00 0.00 C ATOM 1481 CE LYS A 98 3.568 13.317 -11.548 1.00 0.00 C ATOM 0 H LYS A 98 1.072 8.999 -9.987 1.00 0.00 H new ATOM 0 HA LYS A 98 0.610 11.180 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.271 10.832 -11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.191 12.288 -10.234 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.248 12.198 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.583 11.095 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.521 12.922 -12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.694 13.998 -10.727 1.00 0.00 H new ATOM 1495 N ALA A 99 -1.732 9.170 -8.930 1.00 0.00 N ATOM 1496 CA ALA A 99 -3.126 8.825 -8.708 1.00 0.00 C ATOM 1497 C ALA A 99 -3.326 8.448 -7.239 1.00 0.00 C ATOM 1498 O ALA A 99 -4.409 8.014 -6.848 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.529 7.696 -9.660 1.00 0.00 C ATOM 0 H ALA A 99 -1.157 8.411 -9.295 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.771 9.677 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.575 7.436 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.395 8.024 -10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.904 6.822 -9.474 1.00 0.00 H new ATOM 1505 N MET A 100 -2.267 8.627 -6.465 1.00 0.00 N ATOM 1506 CA MET A 100 -2.313 8.312 -5.048 1.00 0.00 C ATOM 1507 C MET A 100 -2.302 9.588 -4.202 1.00 0.00 C ATOM 1508 O MET A 100 -3.155 9.767 -3.333 1.00 0.00 O ATOM 1509 CB MET A 100 -1.108 7.444 -4.678 1.00 0.00 C ATOM 1510 CG MET A 100 -1.195 6.072 -5.350 1.00 0.00 C ATOM 1511 SD MET A 100 -2.421 5.067 -4.530 1.00 0.00 S ATOM 1512 CE MET A 100 -1.612 3.477 -4.596 1.00 0.00 C ATOM 0 H MET A 100 -1.371 8.987 -6.793 1.00 0.00 H new ATOM 0 HA MET A 100 -3.237 7.771 -4.845 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.188 7.944 -4.981 1.00 0.00 H new ATOM 0 HB3 MET A 100 -1.062 7.321 -3.596 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.454 6.189 -6.402 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.224 5.578 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.145 2.771 -3.960 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.611 3.111 -5.623 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.585 3.577 -4.246 1.00 0.00 H new ATOM 1522 N ASP A 101 -1.327 10.439 -4.484 1.00 0.00 N ATOM 1523 CA ASP A 101 -1.195 11.692 -3.760 1.00 0.00 C ATOM 1524 C ASP A 101 -2.382 11.854 -2.810 1.00 0.00 C ATOM 1525 O ASP A 101 -3.474 12.232 -3.232 1.00 0.00 O ATOM 1526 CB ASP A 101 -1.191 12.884 -4.720 1.00 0.00 C ATOM 1527 CG ASP A 101 -0.034 13.866 -4.525 1.00 0.00 C ATOM 1528 OD1 ASP A 101 1.049 13.701 -5.106 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -0.282 14.849 -3.727 1.00 0.00 O ATOM 0 H ASP A 101 -0.621 10.286 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.254 11.667 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.160 12.508 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.130 13.425 -4.607 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.128 11.561 -1.543 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.162 11.670 -0.528 1.00 0.00 C ATOM 1537 C ASN A 102 -4.063 10.434 -0.589 1.00 0.00 C ATOM 1538 O ASN A 102 -5.260 10.520 -0.319 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.037 12.903 -0.762 1.00 0.00 C ATOM 1540 CG ASN A 102 -4.289 13.653 0.549 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -4.394 13.072 1.616 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -4.379 14.972 0.407 1.00 0.00 N ATOM 0 H ASN A 102 -1.221 11.248 -1.196 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.673 11.753 0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.552 13.567 -1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -4.988 12.601 -1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.546 15.562 1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.281 15.393 -0.517 1.00 0.00 H new ATOM 1549 N MET A 103 -3.453 9.314 -0.945 1.00 0.00 N ATOM 1550 CA MET A 103 -4.184 8.062 -1.044 1.00 0.00 C ATOM 1551 C MET A 103 -4.423 7.454 0.339 1.00 0.00 C ATOM 1552 O MET A 103 -3.631 7.663 1.257 1.00 0.00 O ATOM 1553 CB MET A 103 -3.393 7.075 -1.907 1.00 0.00 C ATOM 1554 CG MET A 103 -2.130 6.606 -1.183 1.00 0.00 C ATOM 1555 SD MET A 103 -2.009 4.826 -1.258 1.00 0.00 S ATOM 1556 CE MET A 103 -0.290 4.651 -1.705 1.00 0.00 C ATOM 0 H MET A 103 -2.460 9.247 -1.169 1.00 0.00 H new ATOM 0 HA MET A 103 -5.152 8.264 -1.502 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.018 6.216 -2.149 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.121 7.548 -2.851 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.250 7.058 -1.640 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.154 6.934 -0.144 1.00 0.00 H new ATOM 0 HE1 MET A 103 -0.098 3.625 -2.019 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.056 5.331 -2.525 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.336 4.891 -0.845 1.00 0.00 H new ATOM 1566 N THR A 104 -5.517 6.715 0.446 1.00 0.00 N ATOM 1567 CA THR A 104 -5.869 6.076 1.701 1.00 0.00 C ATOM 1568 C THR A 104 -5.887 4.554 1.539 1.00 0.00 C ATOM 1569 O THR A 104 -6.455 4.035 0.580 1.00 0.00 O ATOM 1570 CB THR A 104 -7.208 6.653 2.166 1.00 0.00 C ATOM 1571 OG1 THR A 104 -6.877 7.950 2.653 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.765 5.926 3.392 1.00 0.00 C ATOM 0 H THR A 104 -6.172 6.545 -0.317 1.00 0.00 H new ATOM 0 HA THR A 104 -5.125 6.281 2.471 1.00 0.00 H new ATOM 0 HB THR A 104 -7.930 6.596 1.351 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.689 8.396 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.716 6.375 3.680 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.918 4.874 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.058 6.011 4.218 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.256 3.883 2.492 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.192 2.431 2.466 1.00 0.00 C ATOM 1582 C VAL A 105 -5.562 1.885 3.846 1.00 0.00 C ATOM 1583 O VAL A 105 -5.417 2.579 4.852 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.810 1.977 1.994 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.312 2.845 0.837 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.808 1.978 3.151 1.00 0.00 C ATOM 0 H VAL A 105 -4.785 4.317 3.286 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.912 2.029 1.753 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.901 0.954 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.327 2.500 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.008 2.771 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.246 3.883 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.833 1.651 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.724 2.985 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.152 1.298 3.931 1.00 0.00 H new ATOM 1596 N ARG A 106 -6.032 0.647 3.851 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.424 -0.001 5.092 1.00 0.00 C ATOM 1598 C ARG A 106 -5.562 -1.241 5.338 1.00 0.00 C ATOM 1599 O ARG A 106 -5.092 -1.873 4.393 1.00 0.00 O ATOM 1600 CB ARG A 106 -7.898 -0.412 5.057 1.00 0.00 C ATOM 1601 CG ARG A 106 -8.357 -0.920 6.426 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.882 -1.042 6.481 1.00 0.00 C ATOM 1603 NE ARG A 106 -10.385 -0.520 7.771 1.00 0.00 N ATOM 1604 CZ ARG A 106 -11.683 -0.250 8.024 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -12.622 -0.449 7.074 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -12.021 0.214 9.212 1.00 0.00 N ATOM 0 H ARG A 106 -6.151 0.074 3.015 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.277 0.715 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.510 0.439 4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.045 -1.190 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.903 -1.890 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.014 -0.238 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.329 -0.488 5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.176 -2.085 6.362 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.708 -0.354 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.352 -0.806 6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.601 -0.242 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.306 0.364 9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.998 0.423 9.419 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.381 -1.552 6.613 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.584 -2.705 6.996 1.00 0.00 C ATOM 1621 C VAL A 107 -5.508 -3.811 7.509 1.00 0.00 C ATOM 1622 O VAL A 107 -6.069 -3.701 8.600 1.00 0.00 O ATOM 1623 CB VAL A 107 -3.523 -2.292 8.016 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -2.891 -3.518 8.679 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.454 -1.408 7.370 1.00 0.00 C ATOM 0 H VAL A 107 -5.773 -1.026 7.394 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.049 -3.103 6.134 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.017 -1.708 8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.140 -3.195 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.662 -4.093 9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.420 -4.141 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.712 -1.129 8.118 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.967 -1.956 6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.920 -0.508 6.968 1.00 0.00 H new ATOM 1635 N PRO A 108 -5.644 -4.880 6.679 1.00 0.00 N ATOM 1636 CA PRO A 108 -6.491 -6.005 7.038 1.00 0.00 C ATOM 1637 C PRO A 108 -5.824 -6.874 8.106 1.00 0.00 C ATOM 1638 O PRO A 108 -4.642 -6.703 8.402 1.00 0.00 O ATOM 1639 CB PRO A 108 -6.733 -6.746 5.733 1.00 0.00 C ATOM 1640 CG PRO A 108 -5.643 -6.282 4.781 1.00 0.00 C ATOM 1641 CD PRO A 108 -4.996 -5.045 5.382 1.00 0.00 C ATOM 0 HA PRO A 108 -7.436 -5.696 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -6.688 -7.825 5.882 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -7.722 -6.521 5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.902 -7.068 4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.063 -6.055 3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.919 -5.175 5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.149 -4.171 4.749 1.00 0.00 H new TER 1649 PRO A 108 HETATM 1650 FE1 FES A 146 6.146 -9.945 1.457 1.00 0.00 FE HETATM 1651 FE2 FES A 146 4.558 -8.102 -0.150 1.00 0.00 FE HETATM 1652 S1 FES A 146 4.765 -10.243 -0.483 1.00 0.00 S HETATM 1653 S2 FES A 146 6.088 -7.584 1.298 1.00 0.00 S