USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 11 CYS SG : rot 60:sc= 1.49 USER MOD Set 1.2: A 29 SER OG : rot 142:sc= 1.55 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.04 (180deg=0.916) USER MOD Single : A 3 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00106) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.17) USER MOD Single : A 14 THR OG1 : rot -110:sc= -0.138 USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= -0.0207 (180deg=-0.25) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.381 K(o=-0.38,f=-3.6!) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.728) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.885 K(o=-0.88,f=-5.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.186 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -0.0363 (180deg=-0.317) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -135:sc= -0.178 (180deg=-2.19) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot -77:sc= 1.06 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 0.166 (180deg=-0.0523) USER MOD Single : A 63 HIS : no HD1:sc= -0.21! C(o=-0.21!,f=-5.1!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.053) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.810 11.846 -20.102 1.00 0.00 N ATOM 2 CA MET A 1 4.786 12.885 -19.706 1.00 0.00 C ATOM 3 C MET A 1 4.580 13.254 -18.240 1.00 0.00 C ATOM 4 O MET A 1 5.451 13.846 -17.600 1.00 0.00 O ATOM 5 CB MET A 1 4.619 14.119 -20.594 1.00 0.00 C ATOM 6 CG MET A 1 5.816 15.053 -20.573 1.00 0.00 C ATOM 7 SD MET A 1 5.663 16.397 -21.767 1.00 0.00 S ATOM 8 CE MET A 1 7.344 17.009 -21.799 1.00 0.00 C ATOM 0 H1 MET A 1 4.068 11.464 -21.034 1.00 0.00 H new ATOM 0 H2 MET A 1 3.816 11.079 -19.400 1.00 0.00 H new ATOM 0 H3 MET A 1 2.859 12.264 -20.150 1.00 0.00 H new ATOM 0 HA MET A 1 5.797 12.498 -19.832 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.439 13.796 -21.619 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.734 14.669 -20.273 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.929 15.471 -19.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.721 14.484 -20.785 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.413 17.846 -22.494 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.629 17.342 -20.801 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.015 16.213 -22.121 1.00 0.00 H new ATOM 20 N GLU A 2 3.409 12.903 -17.725 1.00 0.00 N ATOM 21 CA GLU A 2 3.064 13.121 -16.331 1.00 0.00 C ATOM 22 C GLU A 2 3.914 12.224 -15.436 1.00 0.00 C ATOM 23 O GLU A 2 4.214 11.084 -15.798 1.00 0.00 O ATOM 24 CB GLU A 2 1.577 12.811 -16.094 1.00 0.00 C ATOM 25 CG GLU A 2 0.633 13.363 -17.157 1.00 0.00 C ATOM 26 CD GLU A 2 0.558 12.488 -18.398 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.370 12.688 -19.326 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.318 11.601 -18.451 1.00 0.00 O ATOM 0 H GLU A 2 2.669 12.457 -18.268 1.00 0.00 H new ATOM 0 HA GLU A 2 3.256 14.166 -16.087 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.449 11.730 -16.041 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.286 13.215 -15.124 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.365 13.465 -16.731 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.962 14.362 -17.443 1.00 0.00 H new ATOM 35 N LYS A 3 4.295 12.728 -14.272 1.00 0.00 N ATOM 36 CA LYS A 3 5.098 11.957 -13.348 1.00 0.00 C ATOM 37 C LYS A 3 4.334 11.700 -12.055 1.00 0.00 C ATOM 38 O LYS A 3 3.229 12.213 -11.859 1.00 0.00 O ATOM 39 CB LYS A 3 6.431 12.664 -13.058 1.00 0.00 C ATOM 40 CG LYS A 3 6.306 13.985 -12.310 1.00 0.00 C ATOM 41 CD LYS A 3 7.679 14.594 -12.047 1.00 0.00 C ATOM 42 CE LYS A 3 7.608 15.809 -11.131 1.00 0.00 C ATOM 43 NZ LYS A 3 6.825 16.918 -11.729 1.00 0.00 N ATOM 0 H LYS A 3 4.059 13.666 -13.949 1.00 0.00 H new ATOM 0 HA LYS A 3 5.318 10.996 -13.813 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.063 11.992 -12.477 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.943 12.845 -14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.701 14.681 -12.891 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.788 13.824 -11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.328 13.841 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.133 14.883 -12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.158 15.520 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.618 16.156 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.818 17.729 -11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.258 17.202 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.849 16.602 -11.898 1.00 0.00 H new ATOM 57 N LYS A 4 4.954 10.907 -11.190 1.00 0.00 N ATOM 58 CA LYS A 4 4.384 10.445 -9.933 1.00 0.00 C ATOM 59 C LYS A 4 2.941 9.956 -10.090 1.00 0.00 C ATOM 60 O LYS A 4 2.074 10.231 -9.263 1.00 0.00 O ATOM 61 CB LYS A 4 4.543 11.491 -8.832 1.00 0.00 C ATOM 62 CG LYS A 4 3.585 12.666 -8.852 1.00 0.00 C ATOM 63 CD LYS A 4 3.843 13.521 -7.635 1.00 0.00 C ATOM 64 CE LYS A 4 2.905 14.715 -7.533 1.00 0.00 C ATOM 65 NZ LYS A 4 1.503 14.310 -7.251 1.00 0.00 N ATOM 0 H LYS A 4 5.898 10.557 -11.351 1.00 0.00 H new ATOM 0 HA LYS A 4 4.955 9.571 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.441 10.988 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.559 11.882 -8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.723 13.251 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.554 12.313 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.740 12.908 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.873 13.877 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.254 15.381 -6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.937 15.280 -8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.919 15.158 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.130 13.766 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.477 13.722 -6.394 1.00 0.00 H new ATOM 79 N PHE A 5 2.704 9.173 -11.140 1.00 0.00 N ATOM 80 CA PHE A 5 1.392 8.574 -11.368 1.00 0.00 C ATOM 81 C PHE A 5 1.097 7.510 -10.311 1.00 0.00 C ATOM 82 O PHE A 5 -0.039 7.081 -10.139 1.00 0.00 O ATOM 83 CB PHE A 5 1.310 7.969 -12.779 1.00 0.00 C ATOM 84 CG PHE A 5 2.327 6.893 -13.058 1.00 0.00 C ATOM 85 CD1 PHE A 5 2.049 5.564 -12.774 1.00 0.00 C ATOM 86 CD2 PHE A 5 3.555 7.211 -13.613 1.00 0.00 C ATOM 87 CE1 PHE A 5 2.979 4.576 -13.033 1.00 0.00 C ATOM 88 CE2 PHE A 5 4.488 6.227 -13.875 1.00 0.00 C ATOM 89 CZ PHE A 5 4.200 4.909 -13.583 1.00 0.00 C ATOM 0 H PHE A 5 3.403 8.939 -11.845 1.00 0.00 H new ATOM 0 HA PHE A 5 0.639 9.358 -11.287 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.312 7.555 -12.926 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.434 8.767 -13.511 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.094 5.299 -12.345 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.786 8.240 -13.844 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.751 3.545 -12.806 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.442 6.489 -14.308 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.930 4.139 -13.785 1.00 0.00 H new ATOM 99 N LEU A 6 2.139 7.085 -9.613 1.00 0.00 N ATOM 100 CA LEU A 6 1.999 6.138 -8.520 1.00 0.00 C ATOM 101 C LEU A 6 1.584 6.854 -7.235 1.00 0.00 C ATOM 102 O LEU A 6 1.051 6.246 -6.309 1.00 0.00 O ATOM 103 CB LEU A 6 3.298 5.311 -8.313 1.00 0.00 C ATOM 104 CG LEU A 6 4.634 6.045 -7.987 1.00 0.00 C ATOM 105 CD1 LEU A 6 5.056 7.021 -9.077 1.00 0.00 C ATOM 106 CD2 LEU A 6 4.593 6.747 -6.635 1.00 0.00 C ATOM 0 H LEU A 6 3.098 7.385 -9.787 1.00 0.00 H new ATOM 0 HA LEU A 6 1.209 5.435 -8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.109 4.604 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.460 4.726 -9.218 1.00 0.00 H new ATOM 0 HG LEU A 6 5.389 5.260 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.993 7.501 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.194 6.482 -10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.284 7.780 -9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.546 7.243 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.793 7.487 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.411 6.014 -5.850 1.00 0.00 H new ATOM 118 N ASP A 7 1.831 8.156 -7.199 1.00 0.00 N ATOM 119 CA ASP A 7 1.517 8.974 -6.030 1.00 0.00 C ATOM 120 C ASP A 7 0.009 9.144 -5.852 1.00 0.00 C ATOM 121 O ASP A 7 -0.477 9.311 -4.733 1.00 0.00 O ATOM 122 CB ASP A 7 2.192 10.344 -6.149 1.00 0.00 C ATOM 123 CG ASP A 7 1.760 11.308 -5.064 1.00 0.00 C ATOM 124 OD1 ASP A 7 2.028 11.036 -3.873 1.00 0.00 O ATOM 125 OD2 ASP A 7 1.164 12.355 -5.400 1.00 0.00 O ATOM 0 H ASP A 7 2.251 8.674 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 7 1.900 8.459 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.274 10.216 -6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.961 10.774 -7.124 1.00 0.00 H new ATOM 130 N ILE A 8 -0.731 9.078 -6.954 1.00 0.00 N ATOM 131 CA ILE A 8 -2.179 9.261 -6.904 1.00 0.00 C ATOM 132 C ILE A 8 -2.897 7.949 -6.589 1.00 0.00 C ATOM 133 O ILE A 8 -4.125 7.895 -6.560 1.00 0.00 O ATOM 134 CB ILE A 8 -2.731 9.883 -8.216 1.00 0.00 C ATOM 135 CG1 ILE A 8 -2.319 9.074 -9.454 1.00 0.00 C ATOM 136 CG2 ILE A 8 -2.263 11.326 -8.349 1.00 0.00 C ATOM 137 CD1 ILE A 8 -3.213 7.889 -9.755 1.00 0.00 C ATOM 0 H ILE A 8 -0.357 8.901 -7.886 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.379 9.963 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.819 9.859 -8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.311 9.737 -10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.298 8.717 -9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.656 11.752 -9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.624 11.905 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.174 11.355 -8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.849 7.375 -10.645 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.203 7.201 -8.909 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.232 8.236 -9.928 1.00 0.00 H new ATOM 149 N LEU A 9 -2.126 6.897 -6.341 1.00 0.00 N ATOM 150 CA LEU A 9 -2.696 5.604 -5.996 1.00 0.00 C ATOM 151 C LEU A 9 -3.042 5.566 -4.517 1.00 0.00 C ATOM 152 O LEU A 9 -2.166 5.666 -3.652 1.00 0.00 O ATOM 153 CB LEU A 9 -1.729 4.469 -6.337 1.00 0.00 C ATOM 154 CG LEU A 9 -1.321 4.373 -7.809 1.00 0.00 C ATOM 155 CD1 LEU A 9 -0.325 3.241 -8.015 1.00 0.00 C ATOM 156 CD2 LEU A 9 -2.544 4.169 -8.689 1.00 0.00 C ATOM 0 H LEU A 9 -1.107 6.915 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.605 5.465 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.828 4.589 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.186 3.524 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.842 5.310 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.047 3.188 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.565 3.425 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.779 2.297 -7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.235 4.103 -9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.050 3.247 -8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.226 5.010 -8.565 1.00 0.00 H new ATOM 168 N VAL A 10 -4.324 5.429 -4.241 1.00 0.00 N ATOM 169 CA VAL A 10 -4.829 5.416 -2.878 1.00 0.00 C ATOM 170 C VAL A 10 -5.792 4.255 -2.685 1.00 0.00 C ATOM 171 O VAL A 10 -6.161 3.577 -3.646 1.00 0.00 O ATOM 172 CB VAL A 10 -5.545 6.740 -2.518 1.00 0.00 C ATOM 173 CG1 VAL A 10 -4.571 7.905 -2.537 1.00 0.00 C ATOM 174 CG2 VAL A 10 -6.706 7.007 -3.467 1.00 0.00 C ATOM 0 H VAL A 10 -5.046 5.323 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.971 5.300 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.943 6.639 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.098 8.824 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.777 7.728 -1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.138 8.001 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.192 7.943 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.332 7.078 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.426 6.191 -3.400 1.00 0.00 H new ATOM 184 N CYS A 11 -6.188 4.029 -1.442 1.00 0.00 N ATOM 185 CA CYS A 11 -7.116 2.959 -1.119 1.00 0.00 C ATOM 186 C CYS A 11 -8.500 3.271 -1.684 1.00 0.00 C ATOM 187 O CYS A 11 -8.919 4.429 -1.701 1.00 0.00 O ATOM 188 CB CYS A 11 -7.202 2.782 0.400 1.00 0.00 C ATOM 189 SG CYS A 11 -5.599 2.648 1.224 1.00 0.00 S ATOM 0 H CYS A 11 -5.879 4.575 -0.638 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.753 2.034 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.745 3.627 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.785 1.887 0.618 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.907 3.726 1.005 1.00 0.00 H new ATOM 195 N PRO A 12 -9.227 2.248 -2.152 1.00 0.00 N ATOM 196 CA PRO A 12 -10.586 2.426 -2.669 1.00 0.00 C ATOM 197 C PRO A 12 -11.594 2.705 -1.555 1.00 0.00 C ATOM 198 O PRO A 12 -12.595 3.387 -1.764 1.00 0.00 O ATOM 199 CB PRO A 12 -10.890 1.088 -3.351 1.00 0.00 C ATOM 200 CG PRO A 12 -10.012 0.100 -2.665 1.00 0.00 C ATOM 201 CD PRO A 12 -8.771 0.847 -2.257 1.00 0.00 C ATOM 0 HA PRO A 12 -10.659 3.282 -3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.942 0.821 -3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.677 1.131 -4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.512 -0.326 -1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.766 -0.728 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.377 0.482 -1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.977 0.738 -2.995 1.00 0.00 H new ATOM 209 N VAL A 13 -11.315 2.178 -0.370 1.00 0.00 N ATOM 210 CA VAL A 13 -12.214 2.338 0.762 1.00 0.00 C ATOM 211 C VAL A 13 -11.795 3.513 1.641 1.00 0.00 C ATOM 212 O VAL A 13 -12.499 4.517 1.729 1.00 0.00 O ATOM 213 CB VAL A 13 -12.266 1.060 1.624 1.00 0.00 C ATOM 214 CG1 VAL A 13 -13.307 1.193 2.730 1.00 0.00 C ATOM 215 CG2 VAL A 13 -12.553 -0.160 0.764 1.00 0.00 C ATOM 0 H VAL A 13 -10.474 1.637 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.205 2.532 0.351 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.289 0.928 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.325 0.279 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.052 2.037 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.289 1.357 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.585 -1.049 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.513 -0.035 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.767 -0.272 0.017 1.00 0.00 H new ATOM 225 N THR A 14 -10.639 3.381 2.282 1.00 0.00 N ATOM 226 CA THR A 14 -10.150 4.389 3.215 1.00 0.00 C ATOM 227 C THR A 14 -9.674 5.648 2.494 1.00 0.00 C ATOM 228 O THR A 14 -9.597 6.720 3.090 1.00 0.00 O ATOM 229 CB THR A 14 -8.994 3.821 4.046 1.00 0.00 C ATOM 230 OG1 THR A 14 -8.893 2.409 3.809 1.00 0.00 O ATOM 231 CG2 THR A 14 -9.212 4.078 5.528 1.00 0.00 C ATOM 0 H THR A 14 -10.019 2.579 2.171 1.00 0.00 H new ATOM 0 HA THR A 14 -10.982 4.660 3.865 1.00 0.00 H new ATOM 0 HB THR A 14 -8.070 4.317 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.170 1.922 4.613 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.378 3.665 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.276 5.152 5.706 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.139 3.602 5.847 1.00 0.00 H new ATOM 239 N LYS A 15 -9.347 5.501 1.210 1.00 0.00 N ATOM 240 CA LYS A 15 -8.856 6.609 0.389 1.00 0.00 C ATOM 241 C LYS A 15 -7.569 7.206 0.959 1.00 0.00 C ATOM 242 O LYS A 15 -7.284 8.391 0.788 1.00 0.00 O ATOM 243 CB LYS A 15 -9.938 7.680 0.233 1.00 0.00 C ATOM 244 CG LYS A 15 -11.132 7.201 -0.575 1.00 0.00 C ATOM 245 CD LYS A 15 -12.198 8.272 -0.703 1.00 0.00 C ATOM 246 CE LYS A 15 -13.351 7.799 -1.572 1.00 0.00 C ATOM 247 NZ LYS A 15 -12.925 7.537 -2.973 1.00 0.00 N ATOM 0 H LYS A 15 -9.414 4.614 0.711 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.618 6.213 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.276 7.994 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.507 8.557 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.800 6.899 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.560 6.318 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.570 8.538 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.762 9.174 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.776 6.890 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.140 8.551 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.765 7.449 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.335 8.325 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.377 6.654 -3.010 1.00 0.00 H new ATOM 261 N GLY A 16 -6.792 6.366 1.629 1.00 0.00 N ATOM 262 CA GLY A 16 -5.489 6.778 2.112 1.00 0.00 C ATOM 263 C GLY A 16 -4.395 6.301 1.185 1.00 0.00 C ATOM 264 O GLY A 16 -4.641 5.446 0.331 1.00 0.00 O ATOM 0 H GLY A 16 -7.043 5.402 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.454 7.864 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.324 6.377 3.112 1.00 0.00 H new ATOM 268 N ARG A 17 -3.195 6.836 1.343 1.00 0.00 N ATOM 269 CA ARG A 17 -2.085 6.488 0.480 1.00 0.00 C ATOM 270 C ARG A 17 -1.646 5.043 0.675 1.00 0.00 C ATOM 271 O ARG A 17 -1.949 4.412 1.687 1.00 0.00 O ATOM 272 CB ARG A 17 -0.911 7.415 0.752 1.00 0.00 C ATOM 273 CG ARG A 17 -0.708 8.486 -0.306 1.00 0.00 C ATOM 274 CD ARG A 17 -0.301 7.892 -1.649 1.00 0.00 C ATOM 275 NE ARG A 17 0.879 7.030 -1.538 1.00 0.00 N ATOM 276 CZ ARG A 17 2.049 7.279 -2.126 1.00 0.00 C ATOM 277 NH1 ARG A 17 2.225 8.386 -2.838 1.00 0.00 N ATOM 278 NH2 ARG A 17 3.046 6.412 -2.000 1.00 0.00 N ATOM 0 H ARG A 17 -2.967 7.517 2.067 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.421 6.601 -0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.059 7.897 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.002 6.819 0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.629 9.056 -0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.058 9.185 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.132 7.317 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.095 8.698 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 17 0.800 6.184 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.461 9.054 -2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.124 8.568 -3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.915 5.560 -1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.943 6.598 -2.448 1.00 0.00 H new ATOM 292 N LEU A 18 -0.928 4.535 -0.308 1.00 0.00 N ATOM 293 CA LEU A 18 -0.408 3.179 -0.273 1.00 0.00 C ATOM 294 C LEU A 18 1.107 3.190 -0.383 1.00 0.00 C ATOM 295 O LEU A 18 1.676 4.000 -1.121 1.00 0.00 O ATOM 296 CB LEU A 18 -1.000 2.373 -1.429 1.00 0.00 C ATOM 297 CG LEU A 18 -2.511 2.172 -1.369 1.00 0.00 C ATOM 298 CD1 LEU A 18 -3.037 1.708 -2.717 1.00 0.00 C ATOM 299 CD2 LEU A 18 -2.865 1.167 -0.284 1.00 0.00 C ATOM 0 H LEU A 18 -0.688 5.050 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.688 2.720 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.752 2.873 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.519 1.395 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.981 3.125 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.116 1.569 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.808 2.458 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.564 0.764 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.946 1.032 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.387 0.212 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.516 1.535 0.681 1.00 0.00 H new ATOM 311 N GLU A 19 1.758 2.321 0.374 1.00 0.00 N ATOM 312 CA GLU A 19 3.192 2.130 0.250 1.00 0.00 C ATOM 313 C GLU A 19 3.482 0.668 -0.062 1.00 0.00 C ATOM 314 O GLU A 19 3.125 -0.223 0.708 1.00 0.00 O ATOM 315 CB GLU A 19 3.919 2.565 1.529 1.00 0.00 C ATOM 316 CG GLU A 19 3.733 4.038 1.864 1.00 0.00 C ATOM 317 CD GLU A 19 4.721 4.539 2.899 1.00 0.00 C ATOM 318 OE1 GLU A 19 4.553 4.234 4.095 1.00 0.00 O ATOM 319 OE2 GLU A 19 5.676 5.255 2.518 1.00 0.00 O ATOM 0 H GLU A 19 1.314 1.736 1.082 1.00 0.00 H new ATOM 0 HA GLU A 19 3.561 2.752 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.560 1.963 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.983 2.357 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.838 4.628 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.719 4.196 2.231 1.00 0.00 H new ATOM 326 N TYR A 20 4.117 0.420 -1.196 1.00 0.00 N ATOM 327 CA TYR A 20 4.355 -0.943 -1.642 1.00 0.00 C ATOM 328 C TYR A 20 5.517 -1.575 -0.890 1.00 0.00 C ATOM 329 O TYR A 20 6.481 -0.902 -0.523 1.00 0.00 O ATOM 330 CB TYR A 20 4.602 -0.988 -3.154 1.00 0.00 C ATOM 331 CG TYR A 20 5.667 -0.028 -3.639 1.00 0.00 C ATOM 332 CD1 TYR A 20 5.335 1.267 -4.018 1.00 0.00 C ATOM 333 CD2 TYR A 20 7.001 -0.413 -3.715 1.00 0.00 C ATOM 334 CE1 TYR A 20 6.300 2.150 -4.456 1.00 0.00 C ATOM 335 CE2 TYR A 20 7.973 0.466 -4.154 1.00 0.00 C ATOM 336 CZ TYR A 20 7.617 1.747 -4.521 1.00 0.00 C ATOM 337 OH TYR A 20 8.581 2.632 -4.949 1.00 0.00 O ATOM 0 H TYR A 20 4.475 1.141 -1.822 1.00 0.00 H new ATOM 0 HA TYR A 20 3.459 -1.523 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.888 -2.002 -3.434 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.668 -0.767 -3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.305 1.587 -3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.282 -1.415 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.025 3.153 -4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.005 0.152 -4.209 1.00 0.00 H new ATOM 0 HH TYR A 20 9.457 2.193 -4.936 1.00 0.00 H new ATOM 347 N HIS A 21 5.391 -2.865 -0.638 1.00 0.00 N ATOM 348 CA HIS A 21 6.412 -3.621 0.060 1.00 0.00 C ATOM 349 C HIS A 21 6.925 -4.729 -0.849 1.00 0.00 C ATOM 350 O HIS A 21 6.173 -5.265 -1.661 1.00 0.00 O ATOM 351 CB HIS A 21 5.831 -4.215 1.348 1.00 0.00 C ATOM 352 CG HIS A 21 6.847 -4.465 2.420 1.00 0.00 C ATOM 353 ND1 HIS A 21 7.209 -5.726 2.841 1.00 0.00 N ATOM 354 CD2 HIS A 21 7.557 -3.601 3.180 1.00 0.00 C ATOM 355 CE1 HIS A 21 8.095 -5.626 3.811 1.00 0.00 C ATOM 356 NE2 HIS A 21 8.323 -4.348 4.037 1.00 0.00 N ATOM 0 H HIS A 21 4.578 -3.417 -0.912 1.00 0.00 H new ATOM 0 HA HIS A 21 7.240 -2.963 0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.069 -3.539 1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.332 -5.154 1.109 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.526 -2.523 3.123 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.556 -6.452 4.333 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.965 -3.975 4.736 1.00 0.00 H new ATOM 365 N GLN A 22 8.197 -5.063 -0.719 1.00 0.00 N ATOM 366 CA GLN A 22 8.816 -6.084 -1.559 1.00 0.00 C ATOM 367 C GLN A 22 8.387 -7.485 -1.117 1.00 0.00 C ATOM 368 O GLN A 22 7.393 -7.633 -0.401 1.00 0.00 O ATOM 369 CB GLN A 22 10.344 -5.957 -1.516 1.00 0.00 C ATOM 370 CG GLN A 22 10.880 -4.683 -2.162 1.00 0.00 C ATOM 371 CD GLN A 22 10.550 -3.426 -1.376 1.00 0.00 C ATOM 372 OE1 GLN A 22 10.431 -3.455 -0.150 1.00 0.00 O ATOM 373 NE2 GLN A 22 10.380 -2.318 -2.078 1.00 0.00 N ATOM 0 H GLN A 22 8.828 -4.642 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 22 8.480 -5.931 -2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.672 -5.991 -0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.784 -6.819 -2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.962 -4.764 -2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.469 -4.593 -3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.487 -2.335 -3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.141 -1.446 -1.605 1.00 0.00 H new ATOM 382 N ASP A 23 9.117 -8.505 -1.581 1.00 0.00 N ATOM 383 CA ASP A 23 8.858 -9.907 -1.233 1.00 0.00 C ATOM 384 C ASP A 23 7.641 -10.443 -1.984 1.00 0.00 C ATOM 385 O ASP A 23 7.755 -11.374 -2.778 1.00 0.00 O ATOM 386 CB ASP A 23 8.697 -10.080 0.285 1.00 0.00 C ATOM 387 CG ASP A 23 8.339 -11.497 0.681 1.00 0.00 C ATOM 388 OD1 ASP A 23 9.173 -12.402 0.494 1.00 0.00 O ATOM 389 OD2 ASP A 23 7.225 -11.710 1.197 1.00 0.00 O ATOM 0 H ASP A 23 9.909 -8.381 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 23 9.723 -10.494 -1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.625 -9.793 0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.923 -9.401 0.643 1.00 0.00 H new ATOM 394 N LYS A 24 6.487 -9.835 -1.758 1.00 0.00 N ATOM 395 CA LYS A 24 5.262 -10.250 -2.425 1.00 0.00 C ATOM 396 C LYS A 24 4.745 -9.139 -3.327 1.00 0.00 C ATOM 397 O LYS A 24 3.755 -9.323 -4.034 1.00 0.00 O ATOM 398 CB LYS A 24 4.182 -10.582 -1.397 1.00 0.00 C ATOM 399 CG LYS A 24 4.597 -11.595 -0.348 1.00 0.00 C ATOM 400 CD LYS A 24 3.490 -11.798 0.674 1.00 0.00 C ATOM 401 CE LYS A 24 3.948 -12.651 1.845 1.00 0.00 C ATOM 402 NZ LYS A 24 5.041 -12.001 2.615 1.00 0.00 N ATOM 0 H LYS A 24 6.373 -9.051 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 24 5.489 -11.134 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.882 -9.662 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.304 -10.961 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.834 -12.545 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.503 -11.256 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.153 -10.829 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.634 -12.272 0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.103 -12.842 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.290 -13.618 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.128 -12.456 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.937 -12.100 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.824 -10.992 2.742 1.00 0.00 H new ATOM 416 N GLN A 25 5.440 -7.999 -3.314 1.00 0.00 N ATOM 417 CA GLN A 25 4.936 -6.773 -3.916 1.00 0.00 C ATOM 418 C GLN A 25 3.520 -6.478 -3.427 1.00 0.00 C ATOM 419 O GLN A 25 2.547 -6.640 -4.157 1.00 0.00 O ATOM 420 CB GLN A 25 4.994 -6.832 -5.440 1.00 0.00 C ATOM 421 CG GLN A 25 6.414 -6.804 -5.980 1.00 0.00 C ATOM 422 CD GLN A 25 6.864 -8.138 -6.543 1.00 0.00 C ATOM 423 OE1 GLN A 25 6.634 -8.440 -7.713 1.00 0.00 O ATOM 424 NE2 GLN A 25 7.535 -8.931 -5.724 1.00 0.00 N ATOM 0 H GLN A 25 6.362 -7.905 -2.887 1.00 0.00 H new ATOM 0 HA GLN A 25 5.583 -5.954 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.499 -7.741 -5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.437 -5.991 -5.852 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.485 -6.045 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.094 -6.506 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.705 -8.643 -4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.883 -9.830 -6.056 1.00 0.00 H new ATOM 433 N GLU A 26 3.422 -6.081 -2.169 1.00 0.00 N ATOM 434 CA GLU A 26 2.139 -5.800 -1.546 1.00 0.00 C ATOM 435 C GLU A 26 1.933 -4.300 -1.422 1.00 0.00 C ATOM 436 O GLU A 26 2.898 -3.551 -1.305 1.00 0.00 O ATOM 437 CB GLU A 26 2.101 -6.412 -0.148 1.00 0.00 C ATOM 438 CG GLU A 26 2.545 -7.860 -0.090 1.00 0.00 C ATOM 439 CD GLU A 26 2.753 -8.339 1.330 1.00 0.00 C ATOM 440 OE1 GLU A 26 3.829 -8.059 1.903 1.00 0.00 O ATOM 441 OE2 GLU A 26 1.848 -8.994 1.880 1.00 0.00 O ATOM 0 H GLU A 26 4.224 -5.945 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 26 1.352 -6.229 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.737 -5.822 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.085 -6.340 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.798 -8.487 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.473 -7.976 -0.650 1.00 0.00 H new ATOM 448 N LEU A 27 0.689 -3.861 -1.451 1.00 0.00 N ATOM 449 CA LEU A 27 0.371 -2.484 -1.118 1.00 0.00 C ATOM 450 C LEU A 27 -0.046 -2.405 0.338 1.00 0.00 C ATOM 451 O LEU A 27 -1.109 -2.900 0.714 1.00 0.00 O ATOM 452 CB LEU A 27 -0.734 -1.926 -2.017 1.00 0.00 C ATOM 453 CG LEU A 27 -0.306 -1.610 -3.448 1.00 0.00 C ATOM 454 CD1 LEU A 27 -1.472 -1.039 -4.240 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.868 -0.640 -3.457 1.00 0.00 C ATOM 0 H LEU A 27 -0.116 -4.435 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 27 1.261 -1.876 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.553 -2.645 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.126 -1.016 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 27 0.012 -2.539 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.148 -0.820 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.284 -1.765 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.820 -0.122 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.157 -0.428 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.577 0.287 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.711 -1.084 -2.927 1.00 0.00 H new ATOM 467 N TRP A 28 0.801 -1.799 1.153 1.00 0.00 N ATOM 468 CA TRP A 28 0.557 -1.722 2.582 1.00 0.00 C ATOM 469 C TRP A 28 -0.147 -0.419 2.922 1.00 0.00 C ATOM 470 O TRP A 28 0.227 0.648 2.427 1.00 0.00 O ATOM 471 CB TRP A 28 1.874 -1.831 3.360 1.00 0.00 C ATOM 472 CG TRP A 28 2.422 -3.228 3.458 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.201 -4.267 2.598 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.293 -3.733 4.478 1.00 0.00 C ATOM 475 NE1 TRP A 28 2.872 -5.386 3.028 1.00 0.00 N ATOM 476 CE2 TRP A 28 3.551 -5.084 4.176 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.882 -3.175 5.616 1.00 0.00 C ATOM 478 CZ2 TRP A 28 4.364 -5.884 4.973 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.691 -3.971 6.406 1.00 0.00 C ATOM 480 CH2 TRP A 28 4.929 -5.312 6.079 1.00 0.00 C ATOM 0 H TRP A 28 1.666 -1.352 0.848 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.084 -2.556 2.870 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.618 -1.194 2.882 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.721 -1.442 4.367 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.588 -4.216 1.710 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.865 -6.295 2.566 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.708 -2.141 5.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 4.542 -6.920 4.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.147 -3.551 7.290 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.571 -5.906 6.713 1.00 0.00 H new ATOM 491 N SER A 29 -1.178 -0.515 3.747 1.00 0.00 N ATOM 492 CA SER A 29 -1.957 0.643 4.131 1.00 0.00 C ATOM 493 C SER A 29 -2.049 0.750 5.648 1.00 0.00 C ATOM 494 O SER A 29 -2.630 -0.114 6.311 1.00 0.00 O ATOM 495 CB SER A 29 -3.360 0.553 3.525 1.00 0.00 C ATOM 496 OG SER A 29 -4.148 1.682 3.869 1.00 0.00 O ATOM 0 H SER A 29 -1.493 -1.391 4.164 1.00 0.00 H new ATOM 0 HA SER A 29 -1.460 1.536 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.285 0.477 2.440 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.851 -0.355 3.875 1.00 0.00 H new ATOM 0 HG SER A 29 -4.698 1.943 3.101 1.00 0.00 H new ATOM 502 N ARG A 30 -1.471 1.813 6.190 1.00 0.00 N ATOM 503 CA ARG A 30 -1.575 2.101 7.614 1.00 0.00 C ATOM 504 C ARG A 30 -3.000 2.553 7.917 1.00 0.00 C ATOM 505 O ARG A 30 -3.455 2.524 9.058 1.00 0.00 O ATOM 506 CB ARG A 30 -0.571 3.202 7.986 1.00 0.00 C ATOM 507 CG ARG A 30 0.075 3.056 9.359 1.00 0.00 C ATOM 508 CD ARG A 30 -0.867 3.423 10.493 1.00 0.00 C ATOM 509 NE ARG A 30 -0.161 3.506 11.775 1.00 0.00 N ATOM 510 CZ ARG A 30 -0.727 3.903 12.914 1.00 0.00 C ATOM 511 NH1 ARG A 30 -2.017 4.211 12.944 1.00 0.00 N ATOM 512 NH2 ARG A 30 0.001 4.004 14.024 1.00 0.00 N ATOM 0 H ARG A 30 -0.923 2.493 5.663 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.347 1.211 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.216 3.223 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.080 4.165 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.411 2.027 9.490 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.961 3.690 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.343 4.379 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.661 2.680 10.562 1.00 0.00 H new ATOM 0 HE ARG A 30 0.824 3.244 11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.577 4.144 12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.449 4.515 13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.995 3.777 14.004 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.435 4.308 14.894 1.00 0.00 H new ATOM 526 N GLN A 31 -3.698 2.954 6.860 1.00 0.00 N ATOM 527 CA GLN A 31 -5.051 3.452 6.955 1.00 0.00 C ATOM 528 C GLN A 31 -6.055 2.315 7.127 1.00 0.00 C ATOM 529 O GLN A 31 -6.906 2.354 8.016 1.00 0.00 O ATOM 530 CB GLN A 31 -5.375 4.241 5.694 1.00 0.00 C ATOM 531 CG GLN A 31 -4.401 5.373 5.402 1.00 0.00 C ATOM 532 CD GLN A 31 -4.492 6.513 6.399 1.00 0.00 C ATOM 533 OE1 GLN A 31 -4.816 6.317 7.570 1.00 0.00 O ATOM 534 NE2 GLN A 31 -4.198 7.719 5.944 1.00 0.00 N ATOM 0 H GLN A 31 -3.331 2.939 5.909 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.125 4.094 7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.387 3.558 4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.379 4.655 5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.385 4.978 5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.592 5.759 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.933 7.845 4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.236 8.523 6.570 1.00 0.00 H new ATOM 543 N ALA A 32 -5.945 1.296 6.281 1.00 0.00 N ATOM 544 CA ALA A 32 -6.913 0.207 6.273 1.00 0.00 C ATOM 545 C ALA A 32 -6.468 -0.932 7.180 1.00 0.00 C ATOM 546 O ALA A 32 -7.242 -1.846 7.469 1.00 0.00 O ATOM 547 CB ALA A 32 -7.121 -0.300 4.852 1.00 0.00 C ATOM 0 H ALA A 32 -5.197 1.202 5.594 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.858 0.592 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.846 -1.114 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.492 0.512 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.174 -0.662 4.452 1.00 0.00 H new ATOM 553 N LYS A 33 -5.210 -0.864 7.622 1.00 0.00 N ATOM 554 CA LYS A 33 -4.607 -1.906 8.452 1.00 0.00 C ATOM 555 C LYS A 33 -4.500 -3.212 7.674 1.00 0.00 C ATOM 556 O LYS A 33 -4.357 -4.291 8.253 1.00 0.00 O ATOM 557 CB LYS A 33 -5.403 -2.125 9.747 1.00 0.00 C ATOM 558 CG LYS A 33 -5.500 -0.890 10.631 1.00 0.00 C ATOM 559 CD LYS A 33 -6.227 -1.189 11.937 1.00 0.00 C ATOM 560 CE LYS A 33 -5.469 -2.204 12.779 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.109 -2.435 14.103 1.00 0.00 N ATOM 0 H LYS A 33 -4.583 -0.087 7.414 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.606 -1.572 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.410 -2.456 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.938 -2.930 10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.499 -0.518 10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.024 -0.099 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.353 -0.266 12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.226 -1.568 11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.409 -3.148 12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.447 -1.857 12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.556 -3.134 14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.143 -1.541 14.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.076 -2.792 13.964 1.00 0.00 H new ATOM 575 N LEU A 34 -4.543 -3.101 6.357 1.00 0.00 N ATOM 576 CA LEU A 34 -4.498 -4.270 5.496 1.00 0.00 C ATOM 577 C LEU A 34 -3.476 -4.089 4.384 1.00 0.00 C ATOM 578 O LEU A 34 -2.893 -3.015 4.221 1.00 0.00 O ATOM 579 CB LEU A 34 -5.870 -4.537 4.871 1.00 0.00 C ATOM 580 CG LEU A 34 -7.021 -4.777 5.854 1.00 0.00 C ATOM 581 CD1 LEU A 34 -8.346 -4.883 5.111 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.772 -6.037 6.667 1.00 0.00 C ATOM 0 H LEU A 34 -4.609 -2.212 5.861 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.209 -5.119 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.130 -3.689 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.787 -5.407 4.220 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.072 -3.927 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.151 -5.053 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.533 -3.957 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.303 -5.715 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.599 -6.192 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.695 -6.893 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.844 -5.930 7.228 1.00 0.00 H new ATOM 594 N ALA A 35 -3.274 -5.151 3.628 1.00 0.00 N ATOM 595 CA ALA A 35 -2.381 -5.140 2.481 1.00 0.00 C ATOM 596 C ALA A 35 -2.939 -6.033 1.382 1.00 0.00 C ATOM 597 O ALA A 35 -3.590 -7.033 1.671 1.00 0.00 O ATOM 598 CB ALA A 35 -0.989 -5.605 2.890 1.00 0.00 C ATOM 0 H ALA A 35 -3.726 -6.051 3.791 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.305 -4.121 2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.331 -5.592 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.593 -4.938 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.046 -6.619 3.286 1.00 0.00 H new ATOM 604 N TYR A 36 -2.709 -5.670 0.130 1.00 0.00 N ATOM 605 CA TYR A 36 -3.125 -6.514 -0.984 1.00 0.00 C ATOM 606 C TYR A 36 -2.037 -6.578 -2.050 1.00 0.00 C ATOM 607 O TYR A 36 -1.315 -5.603 -2.270 1.00 0.00 O ATOM 608 CB TYR A 36 -4.470 -6.056 -1.568 1.00 0.00 C ATOM 609 CG TYR A 36 -4.652 -4.558 -1.676 1.00 0.00 C ATOM 610 CD1 TYR A 36 -4.271 -3.867 -2.818 1.00 0.00 C ATOM 611 CD2 TYR A 36 -5.240 -3.840 -0.640 1.00 0.00 C ATOM 612 CE1 TYR A 36 -4.472 -2.504 -2.924 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.437 -2.479 -0.736 1.00 0.00 C ATOM 614 CZ TYR A 36 -5.055 -1.815 -1.881 1.00 0.00 C ATOM 615 OH TYR A 36 -5.269 -0.462 -1.989 1.00 0.00 O ATOM 0 H TYR A 36 -2.241 -4.805 -0.141 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.274 -7.524 -0.602 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.583 -6.492 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.272 -6.459 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.811 -4.402 -3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.548 -4.358 0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.174 -1.980 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.888 -1.936 0.082 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.689 -0.131 -1.168 1.00 0.00 H new ATOM 625 N PRO A 37 -1.901 -7.741 -2.707 1.00 0.00 N ATOM 626 CA PRO A 37 -0.796 -8.025 -3.625 1.00 0.00 C ATOM 627 C PRO A 37 -0.899 -7.292 -4.961 1.00 0.00 C ATOM 628 O PRO A 37 -1.990 -6.966 -5.441 1.00 0.00 O ATOM 629 CB PRO A 37 -0.881 -9.545 -3.850 1.00 0.00 C ATOM 630 CG PRO A 37 -1.918 -10.047 -2.897 1.00 0.00 C ATOM 631 CD PRO A 37 -2.815 -8.882 -2.603 1.00 0.00 C ATOM 0 HA PRO A 37 0.149 -7.687 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.156 -9.772 -4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.082 -10.021 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.481 -10.872 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.458 -10.424 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.635 -8.811 -3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.262 -8.954 -1.611 1.00 0.00 H new ATOM 639 N ILE A 38 0.263 -7.032 -5.543 1.00 0.00 N ATOM 640 CA ILE A 38 0.370 -6.431 -6.857 1.00 0.00 C ATOM 641 C ILE A 38 0.917 -7.461 -7.835 1.00 0.00 C ATOM 642 O ILE A 38 1.958 -8.072 -7.584 1.00 0.00 O ATOM 643 CB ILE A 38 1.302 -5.195 -6.832 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.779 -4.161 -5.834 1.00 0.00 C ATOM 645 CG2 ILE A 38 1.433 -4.578 -8.219 1.00 0.00 C ATOM 646 CD1 ILE A 38 -0.642 -3.744 -6.104 1.00 0.00 C ATOM 0 H ILE A 38 1.164 -7.235 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.621 -6.104 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 38 2.293 -5.521 -6.516 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.845 -4.572 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.421 -3.281 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.093 -3.712 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.849 -5.314 -8.907 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.450 -4.266 -8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.953 -3.009 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.709 -3.305 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.294 -4.616 -6.047 1.00 0.00 H new ATOM 658 N LYS A 39 0.211 -7.681 -8.933 1.00 0.00 N ATOM 659 CA LYS A 39 0.648 -8.660 -9.914 1.00 0.00 C ATOM 660 C LYS A 39 1.075 -7.976 -11.207 1.00 0.00 C ATOM 661 O LYS A 39 0.233 -7.578 -12.013 1.00 0.00 O ATOM 662 CB LYS A 39 -0.465 -9.679 -10.175 1.00 0.00 C ATOM 663 CG LYS A 39 -0.038 -10.839 -11.061 1.00 0.00 C ATOM 664 CD LYS A 39 -1.108 -11.919 -11.114 1.00 0.00 C ATOM 665 CE LYS A 39 -0.670 -13.108 -11.955 1.00 0.00 C ATOM 666 NZ LYS A 39 0.564 -13.743 -11.421 1.00 0.00 N ATOM 0 H LYS A 39 -0.658 -7.200 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 39 1.514 -9.189 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.816 -10.072 -9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.309 -9.170 -10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.164 -10.475 -12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.892 -11.264 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.337 -12.254 -10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.026 -11.501 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.472 -13.845 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.496 -12.782 -12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.688 -14.680 -11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.386 -13.147 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.483 -13.847 -10.389 1.00 0.00 H new ATOM 680 N ASP A 40 2.390 -7.800 -11.365 1.00 0.00 N ATOM 681 CA ASP A 40 2.975 -7.223 -12.583 1.00 0.00 C ATOM 682 C ASP A 40 2.554 -5.771 -12.781 1.00 0.00 C ATOM 683 O ASP A 40 2.642 -5.237 -13.888 1.00 0.00 O ATOM 684 CB ASP A 40 2.593 -8.046 -13.819 1.00 0.00 C ATOM 685 CG ASP A 40 3.347 -9.355 -13.910 1.00 0.00 C ATOM 686 OD1 ASP A 40 2.916 -10.345 -13.282 1.00 0.00 O ATOM 687 OD2 ASP A 40 4.370 -9.405 -14.622 1.00 0.00 O ATOM 0 H ASP A 40 3.079 -8.052 -10.656 1.00 0.00 H new ATOM 0 HA ASP A 40 4.057 -7.250 -12.458 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.522 -8.250 -13.797 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.787 -7.457 -14.716 1.00 0.00 H new ATOM 692 N GLY A 41 2.125 -5.131 -11.704 1.00 0.00 N ATOM 693 CA GLY A 41 1.685 -3.749 -11.785 1.00 0.00 C ATOM 694 C GLY A 41 0.175 -3.628 -11.830 1.00 0.00 C ATOM 695 O GLY A 41 -0.363 -2.562 -12.117 1.00 0.00 O ATOM 0 H GLY A 41 2.073 -5.543 -10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.066 -3.198 -10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.111 -3.286 -12.675 1.00 0.00 H new ATOM 699 N ILE A 42 -0.505 -4.731 -11.549 1.00 0.00 N ATOM 700 CA ILE A 42 -1.964 -4.765 -11.543 1.00 0.00 C ATOM 701 C ILE A 42 -2.498 -4.934 -10.120 1.00 0.00 C ATOM 702 O ILE A 42 -2.605 -6.059 -9.622 1.00 0.00 O ATOM 703 CB ILE A 42 -2.524 -5.891 -12.441 1.00 0.00 C ATOM 704 CG1 ILE A 42 -1.985 -5.760 -13.869 1.00 0.00 C ATOM 705 CG2 ILE A 42 -4.048 -5.867 -12.448 1.00 0.00 C ATOM 706 CD1 ILE A 42 -2.365 -4.463 -14.555 1.00 0.00 C ATOM 0 H ILE A 42 -0.066 -5.623 -11.320 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.301 -3.810 -11.947 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.195 -6.846 -12.032 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.898 -5.842 -13.845 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.354 -6.595 -14.464 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.422 -6.668 -13.086 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.419 -6.009 -11.433 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.395 -4.907 -12.830 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.946 -4.447 -15.561 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.451 -4.387 -14.613 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.972 -3.621 -13.985 1.00 0.00 H new ATOM 718 N PRO A 43 -2.752 -3.815 -9.417 1.00 0.00 N ATOM 719 CA PRO A 43 -3.284 -3.836 -8.047 1.00 0.00 C ATOM 720 C PRO A 43 -4.635 -4.542 -7.954 1.00 0.00 C ATOM 721 O PRO A 43 -5.587 -4.180 -8.651 1.00 0.00 O ATOM 722 CB PRO A 43 -3.438 -2.352 -7.687 1.00 0.00 C ATOM 723 CG PRO A 43 -3.428 -1.630 -8.989 1.00 0.00 C ATOM 724 CD PRO A 43 -2.557 -2.441 -9.904 1.00 0.00 C ATOM 0 HA PRO A 43 -2.625 -4.385 -7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.366 -2.173 -7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.624 -2.016 -7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.437 -1.537 -9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.037 -0.619 -8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.859 -2.336 -10.946 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.512 -2.136 -9.842 1.00 0.00 H new ATOM 732 N TYR A 44 -4.719 -5.537 -7.080 1.00 0.00 N ATOM 733 CA TYR A 44 -5.937 -6.310 -6.912 1.00 0.00 C ATOM 734 C TYR A 44 -6.364 -6.329 -5.452 1.00 0.00 C ATOM 735 O TYR A 44 -5.960 -7.196 -4.673 1.00 0.00 O ATOM 736 CB TYR A 44 -5.751 -7.739 -7.428 1.00 0.00 C ATOM 737 CG TYR A 44 -6.533 -8.029 -8.688 1.00 0.00 C ATOM 738 CD1 TYR A 44 -6.120 -7.534 -9.919 1.00 0.00 C ATOM 739 CD2 TYR A 44 -7.691 -8.793 -8.644 1.00 0.00 C ATOM 740 CE1 TYR A 44 -6.839 -7.795 -11.069 1.00 0.00 C ATOM 741 CE2 TYR A 44 -8.413 -9.061 -9.790 1.00 0.00 C ATOM 742 CZ TYR A 44 -7.985 -8.558 -10.999 1.00 0.00 C ATOM 743 OH TYR A 44 -8.704 -8.819 -12.143 1.00 0.00 O ATOM 0 H TYR A 44 -3.951 -5.827 -6.474 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.722 -5.832 -7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.692 -7.914 -7.618 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.055 -8.440 -6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.223 -6.936 -9.977 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.033 -9.184 -7.697 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.505 -7.403 -12.018 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.309 -9.662 -9.739 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.483 -9.371 -11.921 1.00 0.00 H new ATOM 753 N MET A 45 -7.170 -5.350 -5.087 1.00 0.00 N ATOM 754 CA MET A 45 -7.682 -5.233 -3.731 1.00 0.00 C ATOM 755 C MET A 45 -8.915 -6.115 -3.539 1.00 0.00 C ATOM 756 O MET A 45 -10.035 -5.626 -3.413 1.00 0.00 O ATOM 757 CB MET A 45 -8.005 -3.766 -3.387 1.00 0.00 C ATOM 758 CG MET A 45 -8.931 -3.063 -4.378 1.00 0.00 C ATOM 759 SD MET A 45 -8.128 -2.663 -5.945 1.00 0.00 S ATOM 760 CE MET A 45 -6.885 -1.492 -5.403 1.00 0.00 C ATOM 0 H MET A 45 -7.489 -4.615 -5.718 1.00 0.00 H new ATOM 0 HA MET A 45 -6.905 -5.577 -3.048 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.462 -3.732 -2.398 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.071 -3.208 -3.326 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.794 -3.699 -4.572 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.307 -2.145 -3.925 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.871 -0.637 -6.079 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.120 -1.153 -4.394 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.907 -1.973 -5.405 1.00 0.00 H new ATOM 770 N LEU A 46 -8.706 -7.421 -3.546 1.00 0.00 N ATOM 771 CA LEU A 46 -9.788 -8.363 -3.328 1.00 0.00 C ATOM 772 C LEU A 46 -9.881 -8.724 -1.854 1.00 0.00 C ATOM 773 O LEU A 46 -8.863 -8.863 -1.178 1.00 0.00 O ATOM 774 CB LEU A 46 -9.585 -9.622 -4.167 1.00 0.00 C ATOM 775 CG LEU A 46 -9.670 -9.422 -5.680 1.00 0.00 C ATOM 776 CD1 LEU A 46 -9.533 -10.755 -6.396 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.983 -8.749 -6.054 1.00 0.00 C ATOM 0 H LEU A 46 -7.795 -7.852 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.721 -7.891 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.609 -10.044 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.332 -10.359 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.850 -8.775 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.595 -10.598 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.570 -11.203 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.335 -11.422 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.028 -8.614 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.816 -9.373 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.046 -7.777 -5.564 1.00 0.00 H new ATOM 789 N GLU A 47 -11.106 -8.870 -1.370 1.00 0.00 N ATOM 790 CA GLU A 47 -11.374 -9.154 0.035 1.00 0.00 C ATOM 791 C GLU A 47 -10.650 -10.414 0.506 1.00 0.00 C ATOM 792 O GLU A 47 -10.101 -10.450 1.607 1.00 0.00 O ATOM 793 CB GLU A 47 -12.881 -9.320 0.268 1.00 0.00 C ATOM 794 CG GLU A 47 -13.736 -8.187 -0.287 1.00 0.00 C ATOM 795 CD GLU A 47 -14.103 -8.379 -1.750 1.00 0.00 C ATOM 796 OE1 GLU A 47 -13.279 -8.055 -2.629 1.00 0.00 O ATOM 797 OE2 GLU A 47 -15.221 -8.858 -2.028 1.00 0.00 O ATOM 0 H GLU A 47 -11.947 -8.795 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.002 -8.308 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.204 -10.257 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.063 -9.404 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.649 -8.106 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.199 -7.245 -0.174 1.00 0.00 H new ATOM 804 N ASN A 48 -10.666 -11.447 -0.324 1.00 0.00 N ATOM 805 CA ASN A 48 -10.055 -12.726 0.035 1.00 0.00 C ATOM 806 C ASN A 48 -8.550 -12.712 -0.214 1.00 0.00 C ATOM 807 O ASN A 48 -7.786 -13.376 0.486 1.00 0.00 O ATOM 808 CB ASN A 48 -10.703 -13.868 -0.752 1.00 0.00 C ATOM 809 CG ASN A 48 -10.278 -15.235 -0.248 1.00 0.00 C ATOM 810 OD1 ASN A 48 -9.286 -15.804 -0.709 1.00 0.00 O ATOM 811 ND2 ASN A 48 -11.031 -15.774 0.696 1.00 0.00 N ATOM 0 H ASN A 48 -11.094 -11.428 -1.250 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.223 -12.885 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.788 -13.781 -0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.439 -13.775 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.799 -16.694 1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.844 -15.270 1.050 1.00 0.00 H new ATOM 818 N GLU A 49 -8.131 -11.935 -1.198 1.00 0.00 N ATOM 819 CA GLU A 49 -6.718 -11.872 -1.578 1.00 0.00 C ATOM 820 C GLU A 49 -5.922 -11.026 -0.592 1.00 0.00 C ATOM 821 O GLU A 49 -4.735 -11.264 -0.370 1.00 0.00 O ATOM 822 CB GLU A 49 -6.559 -11.301 -2.991 1.00 0.00 C ATOM 823 CG GLU A 49 -7.137 -12.183 -4.086 1.00 0.00 C ATOM 824 CD GLU A 49 -6.413 -13.504 -4.224 1.00 0.00 C ATOM 825 OE1 GLU A 49 -5.310 -13.529 -4.806 1.00 0.00 O ATOM 826 OE2 GLU A 49 -6.941 -14.530 -3.755 1.00 0.00 O ATOM 0 H GLU A 49 -8.744 -11.337 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.329 -12.890 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.042 -10.325 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.499 -11.141 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.190 -12.372 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.093 -11.650 -5.036 1.00 0.00 H new ATOM 833 N ALA A 50 -6.584 -10.039 -0.006 1.00 0.00 N ATOM 834 CA ALA A 50 -5.944 -9.134 0.935 1.00 0.00 C ATOM 835 C ALA A 50 -5.447 -9.865 2.178 1.00 0.00 C ATOM 836 O ALA A 50 -5.977 -10.910 2.565 1.00 0.00 O ATOM 837 CB ALA A 50 -6.905 -8.024 1.329 1.00 0.00 C ATOM 0 H ALA A 50 -7.572 -9.844 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.075 -8.702 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.415 -7.352 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.200 -7.466 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.790 -8.457 1.795 1.00 0.00 H new ATOM 843 N ARG A 51 -4.409 -9.314 2.782 1.00 0.00 N ATOM 844 CA ARG A 51 -3.846 -9.842 4.005 1.00 0.00 C ATOM 845 C ARG A 51 -3.963 -8.808 5.119 1.00 0.00 C ATOM 846 O ARG A 51 -3.842 -7.611 4.864 1.00 0.00 O ATOM 847 CB ARG A 51 -2.372 -10.183 3.796 1.00 0.00 C ATOM 848 CG ARG A 51 -2.108 -11.313 2.815 1.00 0.00 C ATOM 849 CD ARG A 51 -2.684 -12.634 3.299 1.00 0.00 C ATOM 850 NE ARG A 51 -3.983 -12.925 2.694 1.00 0.00 N ATOM 851 CZ ARG A 51 -4.351 -14.140 2.283 1.00 0.00 C ATOM 852 NH1 ARG A 51 -3.546 -15.179 2.474 1.00 0.00 N ATOM 853 NH2 ARG A 51 -5.523 -14.325 1.690 1.00 0.00 N ATOM 0 H ARG A 51 -3.932 -8.483 2.433 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.394 -10.743 4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.854 -9.290 3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.936 -10.448 4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.542 -11.061 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.034 -11.419 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.988 -13.439 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.788 -12.607 4.384 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.644 -12.157 2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.646 -15.049 2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.828 -16.107 2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.151 -13.535 1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.796 -15.257 1.379 1.00 0.00 H new ATOM 867 N PRO A 52 -4.202 -9.245 6.363 1.00 0.00 N ATOM 868 CA PRO A 52 -4.200 -8.357 7.526 1.00 0.00 C ATOM 869 C PRO A 52 -2.776 -8.028 7.972 1.00 0.00 C ATOM 870 O PRO A 52 -1.876 -8.862 7.860 1.00 0.00 O ATOM 871 CB PRO A 52 -4.928 -9.169 8.614 1.00 0.00 C ATOM 872 CG PRO A 52 -5.374 -10.441 7.959 1.00 0.00 C ATOM 873 CD PRO A 52 -4.514 -10.624 6.742 1.00 0.00 C ATOM 0 HA PRO A 52 -4.677 -7.400 7.314 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.265 -9.376 9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.780 -8.615 9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.266 -11.285 8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.427 -10.386 7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.614 -11.197 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.041 -11.153 5.948 1.00 0.00 H new ATOM 881 N LEU A 53 -2.563 -6.814 8.456 1.00 0.00 N ATOM 882 CA LEU A 53 -1.258 -6.416 8.940 1.00 0.00 C ATOM 883 C LEU A 53 -1.215 -6.433 10.451 1.00 0.00 C ATOM 884 O LEU A 53 -2.185 -6.068 11.119 1.00 0.00 O ATOM 885 CB LEU A 53 -0.901 -5.028 8.434 1.00 0.00 C ATOM 886 CG LEU A 53 -0.463 -4.970 6.978 1.00 0.00 C ATOM 887 CD1 LEU A 53 -0.292 -3.531 6.528 1.00 0.00 C ATOM 888 CD2 LEU A 53 0.825 -5.751 6.772 1.00 0.00 C ATOM 0 H LEU A 53 -3.279 -6.091 8.522 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.529 -7.132 8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.765 -4.376 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.101 -4.625 9.055 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.242 -5.430 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.021 -3.511 5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.239 -3.002 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.465 -3.045 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.120 -5.696 5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.612 -5.325 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.667 -6.793 7.051 1.00 0.00 H new ATOM 900 N SER A 54 -0.090 -6.855 10.985 1.00 0.00 N ATOM 901 CA SER A 54 0.093 -6.885 12.423 1.00 0.00 C ATOM 902 C SER A 54 0.604 -5.539 12.916 1.00 0.00 C ATOM 903 O SER A 54 0.925 -4.661 12.119 1.00 0.00 O ATOM 904 CB SER A 54 1.049 -8.006 12.827 1.00 0.00 C ATOM 905 OG SER A 54 2.295 -7.885 12.164 1.00 0.00 O ATOM 0 H SER A 54 0.713 -7.182 10.447 1.00 0.00 H new ATOM 0 HA SER A 54 -0.872 -7.083 12.889 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.205 -7.983 13.906 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.601 -8.971 12.591 1.00 0.00 H new ATOM 0 HG SER A 54 2.205 -8.196 11.239 1.00 0.00 H new ATOM 911 N GLU A 55 0.696 -5.396 14.225 1.00 0.00 N ATOM 912 CA GLU A 55 1.028 -4.138 14.854 1.00 0.00 C ATOM 913 C GLU A 55 2.380 -3.602 14.408 1.00 0.00 C ATOM 914 O GLU A 55 2.489 -2.443 14.017 1.00 0.00 O ATOM 915 CB GLU A 55 1.015 -4.351 16.354 1.00 0.00 C ATOM 916 CG GLU A 55 -0.381 -4.514 16.929 1.00 0.00 C ATOM 917 CD GLU A 55 -1.251 -3.299 16.688 1.00 0.00 C ATOM 918 OE1 GLU A 55 -1.139 -2.325 17.461 1.00 0.00 O ATOM 919 OE2 GLU A 55 -2.049 -3.308 15.728 1.00 0.00 O ATOM 0 H GLU A 55 0.540 -6.158 14.884 1.00 0.00 H new ATOM 0 HA GLU A 55 0.291 -3.392 14.558 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.604 -5.237 16.593 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.502 -3.505 16.838 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.854 -5.390 16.485 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.310 -4.700 18.001 1.00 0.00 H new ATOM 926 N GLU A 56 3.403 -4.438 14.491 1.00 0.00 N ATOM 927 CA GLU A 56 4.726 -4.084 14.040 1.00 0.00 C ATOM 928 C GLU A 56 4.693 -3.568 12.610 1.00 0.00 C ATOM 929 O GLU A 56 5.229 -2.505 12.309 1.00 0.00 O ATOM 930 CB GLU A 56 5.615 -5.310 14.117 1.00 0.00 C ATOM 931 CG GLU A 56 7.041 -5.022 13.749 1.00 0.00 C ATOM 932 CD GLU A 56 7.929 -6.245 13.823 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.724 -7.187 13.030 1.00 0.00 O ATOM 934 OE2 GLU A 56 8.833 -6.277 14.686 1.00 0.00 O ATOM 0 H GLU A 56 3.332 -5.381 14.874 1.00 0.00 H new ATOM 0 HA GLU A 56 5.117 -3.292 14.679 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.581 -5.714 15.129 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.222 -6.080 13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.075 -4.616 12.738 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.434 -4.253 14.414 1.00 0.00 H new ATOM 941 N GLU A 57 4.060 -4.344 11.748 1.00 0.00 N ATOM 942 CA GLU A 57 3.899 -3.997 10.346 1.00 0.00 C ATOM 943 C GLU A 57 3.173 -2.666 10.181 1.00 0.00 C ATOM 944 O GLU A 57 3.643 -1.774 9.479 1.00 0.00 O ATOM 945 CB GLU A 57 3.133 -5.112 9.651 1.00 0.00 C ATOM 946 CG GLU A 57 3.879 -6.437 9.675 1.00 0.00 C ATOM 947 CD GLU A 57 3.103 -7.572 9.043 1.00 0.00 C ATOM 948 OE1 GLU A 57 1.984 -7.870 9.517 1.00 0.00 O ATOM 949 OE2 GLU A 57 3.622 -8.186 8.088 1.00 0.00 O ATOM 0 H GLU A 57 3.640 -5.238 12.002 1.00 0.00 H new ATOM 0 HA GLU A 57 4.884 -3.885 9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.163 -5.237 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.941 -4.826 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.829 -6.321 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.112 -6.696 10.708 1.00 0.00 H new ATOM 956 N LEU A 58 2.025 -2.555 10.829 1.00 0.00 N ATOM 957 CA LEU A 58 1.263 -1.308 10.879 1.00 0.00 C ATOM 958 C LEU A 58 2.133 -0.135 11.315 1.00 0.00 C ATOM 959 O LEU A 58 2.112 0.935 10.709 1.00 0.00 O ATOM 960 CB LEU A 58 0.101 -1.465 11.852 1.00 0.00 C ATOM 961 CG LEU A 58 -0.973 -2.440 11.402 1.00 0.00 C ATOM 962 CD1 LEU A 58 -2.039 -2.590 12.470 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.587 -1.988 10.087 1.00 0.00 C ATOM 0 H LEU A 58 1.591 -3.325 11.337 1.00 0.00 H new ATOM 0 HA LEU A 58 0.892 -1.098 9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.492 -1.795 12.815 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.357 -0.489 12.011 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.510 -3.414 11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.799 -3.292 12.129 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.585 -2.964 13.387 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.500 -1.621 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.354 -2.699 9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.035 -1.003 10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.812 -1.938 9.322 1.00 0.00 H new ATOM 975 N LYS A 59 2.896 -0.344 12.370 1.00 0.00 N ATOM 976 CA LYS A 59 3.747 0.687 12.910 1.00 0.00 C ATOM 977 C LYS A 59 5.011 0.876 12.082 1.00 0.00 C ATOM 978 O LYS A 59 5.788 1.794 12.318 1.00 0.00 O ATOM 979 CB LYS A 59 4.087 0.369 14.354 1.00 0.00 C ATOM 980 CG LYS A 59 3.267 1.186 15.342 1.00 0.00 C ATOM 981 CD LYS A 59 3.788 1.078 16.763 1.00 0.00 C ATOM 982 CE LYS A 59 3.036 2.020 17.692 1.00 0.00 C ATOM 983 NZ LYS A 59 3.163 3.438 17.261 1.00 0.00 N ATOM 0 H LYS A 59 2.940 -1.231 12.872 1.00 0.00 H new ATOM 0 HA LYS A 59 3.201 1.629 12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.919 -0.692 14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.147 0.558 14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.273 2.232 15.036 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.230 0.851 15.313 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.682 0.052 17.116 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.852 1.314 16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.983 1.741 17.718 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.419 1.913 18.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.833 4.063 18.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.159 3.648 17.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.586 3.595 16.410 1.00 0.00 H new ATOM 997 N ALA A 60 5.223 -0.004 11.126 1.00 0.00 N ATOM 998 CA ALA A 60 6.302 0.166 10.173 1.00 0.00 C ATOM 999 C ALA A 60 5.799 0.907 8.946 1.00 0.00 C ATOM 1000 O ALA A 60 6.454 0.945 7.904 1.00 0.00 O ATOM 1001 CB ALA A 60 6.896 -1.180 9.792 1.00 0.00 C ATOM 0 H ALA A 60 4.663 -0.845 10.987 1.00 0.00 H new ATOM 0 HA ALA A 60 7.091 0.760 10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.704 -1.031 9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.287 -1.671 10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.124 -1.805 9.343 1.00 0.00 H new ATOM 1007 N LEU A 61 4.630 1.508 9.095 1.00 0.00 N ATOM 1008 CA LEU A 61 4.022 2.295 8.032 1.00 0.00 C ATOM 1009 C LEU A 61 3.725 3.702 8.514 1.00 0.00 C ATOM 1010 O LEU A 61 3.127 4.512 7.808 1.00 0.00 O ATOM 1011 CB LEU A 61 2.743 1.630 7.523 1.00 0.00 C ATOM 1012 CG LEU A 61 2.929 0.264 6.872 1.00 0.00 C ATOM 1013 CD1 LEU A 61 1.576 -0.356 6.562 1.00 0.00 C ATOM 1014 CD2 LEU A 61 3.760 0.389 5.604 1.00 0.00 C ATOM 0 H LEU A 61 4.077 1.465 9.951 1.00 0.00 H new ATOM 0 HA LEU A 61 4.732 2.350 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.052 1.524 8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.270 2.296 6.801 1.00 0.00 H new ATOM 0 HG LEU A 61 3.460 -0.386 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.721 -1.331 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.010 -0.475 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.026 0.293 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.884 -0.595 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.254 1.051 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.739 0.801 5.850 1.00 0.00 H new ATOM 1026 N GLU A 62 4.163 3.984 9.720 1.00 0.00 N ATOM 1027 CA GLU A 62 4.028 5.316 10.285 1.00 0.00 C ATOM 1028 C GLU A 62 5.370 6.022 10.194 1.00 0.00 C ATOM 1029 O GLU A 62 6.409 5.450 10.524 1.00 0.00 O ATOM 1030 CB GLU A 62 3.518 5.271 11.732 1.00 0.00 C ATOM 1031 CG GLU A 62 4.346 4.396 12.652 1.00 0.00 C ATOM 1032 CD GLU A 62 3.886 4.450 14.094 1.00 0.00 C ATOM 1033 OE1 GLU A 62 2.719 4.086 14.372 1.00 0.00 O ATOM 1034 OE2 GLU A 62 4.690 4.858 14.961 1.00 0.00 O ATOM 0 H GLU A 62 4.618 3.309 10.334 1.00 0.00 H new ATOM 0 HA GLU A 62 3.284 5.872 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.500 6.285 12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.490 4.910 11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.302 3.365 12.301 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.389 4.707 12.598 1.00 0.00 H new ATOM 1041 N HIS A 63 5.354 7.250 9.721 1.00 0.00 N ATOM 1042 CA HIS A 63 6.585 7.945 9.387 1.00 0.00 C ATOM 1043 C HIS A 63 6.988 8.887 10.510 1.00 0.00 C ATOM 1044 O HIS A 63 6.312 9.882 10.766 1.00 0.00 O ATOM 1045 CB HIS A 63 6.405 8.708 8.071 1.00 0.00 C ATOM 1046 CG HIS A 63 5.720 7.892 7.012 1.00 0.00 C ATOM 1047 ND1 HIS A 63 4.380 8.022 6.719 1.00 0.00 N ATOM 1048 CD2 HIS A 63 6.182 6.908 6.203 1.00 0.00 C ATOM 1049 CE1 HIS A 63 4.049 7.159 5.779 1.00 0.00 C ATOM 1050 NE2 HIS A 63 5.121 6.468 5.448 1.00 0.00 N ATOM 0 H HIS A 63 4.504 7.790 9.558 1.00 0.00 H new ATOM 0 HA HIS A 63 7.384 7.215 9.262 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.826 9.612 8.257 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.381 9.025 7.704 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.196 6.538 6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.064 7.039 5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.158 5.728 4.747 1.00 0.00 H new ATOM 1059 N HIS A 64 8.091 8.560 11.181 1.00 0.00 N ATOM 1060 CA HIS A 64 8.564 9.336 12.328 1.00 0.00 C ATOM 1061 C HIS A 64 9.045 10.721 11.897 1.00 0.00 C ATOM 1062 O HIS A 64 9.162 11.628 12.718 1.00 0.00 O ATOM 1063 CB HIS A 64 9.685 8.585 13.076 1.00 0.00 C ATOM 1064 CG HIS A 64 11.009 8.551 12.363 1.00 0.00 C ATOM 1065 ND1 HIS A 64 12.135 9.172 12.853 1.00 0.00 N ATOM 1066 CD2 HIS A 64 11.389 7.952 11.207 1.00 0.00 C ATOM 1067 CE1 HIS A 64 13.145 8.965 12.031 1.00 0.00 C ATOM 1068 NE2 HIS A 64 12.719 8.226 11.025 1.00 0.00 N ATOM 0 H HIS A 64 8.677 7.758 10.949 1.00 0.00 H new ATOM 0 HA HIS A 64 7.723 9.466 13.009 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.826 9.050 14.052 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.359 7.561 13.256 1.00 0.00 H new ATOM 0 HD2 HIS A 64 10.760 7.368 10.552 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.151 9.337 12.160 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.287 7.910 10.239 1.00 0.00 H new ATOM 1077 N HIS A 65 9.331 10.877 10.609 1.00 0.00 N ATOM 1078 CA HIS A 65 9.746 12.167 10.080 1.00 0.00 C ATOM 1079 C HIS A 65 9.637 12.165 8.563 1.00 0.00 C ATOM 1080 O HIS A 65 8.768 12.820 7.996 1.00 0.00 O ATOM 1081 CB HIS A 65 11.178 12.497 10.512 1.00 0.00 C ATOM 1082 CG HIS A 65 11.456 13.968 10.578 1.00 0.00 C ATOM 1083 ND1 HIS A 65 12.319 14.621 9.724 1.00 0.00 N ATOM 1084 CD2 HIS A 65 10.983 14.914 11.421 1.00 0.00 C ATOM 1085 CE1 HIS A 65 12.362 15.902 10.040 1.00 0.00 C ATOM 1086 NE2 HIS A 65 11.559 16.105 11.066 1.00 0.00 N ATOM 0 H HIS A 65 9.283 10.129 9.917 1.00 0.00 H new ATOM 0 HA HIS A 65 9.086 12.936 10.482 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.365 12.055 11.491 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.876 12.034 9.814 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.280 14.759 12.226 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.954 16.656 9.543 1.00 0.00 H new ATOM 0 HE2 HIS A 65 11.394 17.003 11.521 1.00 0.00 H new ATOM 1095 N HIS A 66 10.523 11.420 7.914 1.00 0.00 N ATOM 1096 CA HIS A 66 10.495 11.269 6.462 1.00 0.00 C ATOM 1097 C HIS A 66 11.150 9.964 6.050 1.00 0.00 C ATOM 1098 O HIS A 66 12.187 9.586 6.594 1.00 0.00 O ATOM 1099 CB HIS A 66 11.221 12.426 5.767 1.00 0.00 C ATOM 1100 CG HIS A 66 10.322 13.534 5.321 1.00 0.00 C ATOM 1101 ND1 HIS A 66 10.707 14.858 5.301 1.00 0.00 N ATOM 1102 CD2 HIS A 66 9.059 13.507 4.840 1.00 0.00 C ATOM 1103 CE1 HIS A 66 9.717 15.593 4.830 1.00 0.00 C ATOM 1104 NE2 HIS A 66 8.708 14.797 4.545 1.00 0.00 N ATOM 0 H HIS A 66 11.276 10.907 8.373 1.00 0.00 H new ATOM 0 HA HIS A 66 9.449 11.271 6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 66 11.969 12.832 6.448 1.00 0.00 H new ATOM 0 HB3 HIS A 66 11.756 12.036 4.901 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.441 12.630 4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 66 9.732 16.665 4.700 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.809 15.094 4.165 1.00 0.00 H new ATOM 1113 N HIS A 67 10.535 9.267 5.112 1.00 0.00 N ATOM 1114 CA HIS A 67 11.150 8.089 4.527 1.00 0.00 C ATOM 1115 C HIS A 67 11.801 8.459 3.202 1.00 0.00 C ATOM 1116 O HIS A 67 11.153 8.464 2.154 1.00 0.00 O ATOM 1117 CB HIS A 67 10.127 6.965 4.328 1.00 0.00 C ATOM 1118 CG HIS A 67 10.719 5.711 3.748 1.00 0.00 C ATOM 1119 ND1 HIS A 67 11.661 4.950 4.407 1.00 0.00 N ATOM 1120 CD2 HIS A 67 10.510 5.097 2.559 1.00 0.00 C ATOM 1121 CE1 HIS A 67 12.004 3.925 3.651 1.00 0.00 C ATOM 1122 NE2 HIS A 67 11.323 3.988 2.522 1.00 0.00 N ATOM 0 H HIS A 67 9.613 9.495 4.740 1.00 0.00 H new ATOM 0 HA HIS A 67 11.912 7.720 5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.666 6.730 5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 67 9.333 7.320 3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.831 5.419 1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 67 12.722 3.162 3.912 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.389 3.324 1.750 1.00 0.00 H new ATOM 1131 N HIS A 68 13.077 8.789 3.264 1.00 0.00 N ATOM 1132 CA HIS A 68 13.815 9.230 2.095 1.00 0.00 C ATOM 1133 C HIS A 68 15.047 8.358 1.905 1.00 0.00 C ATOM 1134 O HIS A 68 15.992 8.481 2.713 1.00 0.00 O ATOM 1135 CB HIS A 68 14.207 10.704 2.251 1.00 0.00 C ATOM 1136 CG HIS A 68 14.890 11.289 1.050 1.00 0.00 C ATOM 1137 ND1 HIS A 68 16.133 11.874 1.104 1.00 0.00 N ATOM 1138 CD2 HIS A 68 14.485 11.388 -0.237 1.00 0.00 C ATOM 1139 CE1 HIS A 68 16.464 12.310 -0.096 1.00 0.00 C ATOM 1140 NE2 HIS A 68 15.484 12.027 -0.933 1.00 0.00 N ATOM 1141 OXT HIS A 68 15.052 7.532 0.971 1.00 0.00 O ATOM 0 H HIS A 68 13.629 8.759 4.121 1.00 0.00 H new ATOM 0 HA HIS A 68 13.185 9.135 1.210 1.00 0.00 H new ATOM 0 HB2 HIS A 68 13.311 11.286 2.465 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.865 10.804 3.114 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.550 11.031 -0.643 1.00 0.00 H new ATOM 0 HE1 HIS A 68 17.384 12.815 -0.351 1.00 0.00 H new ATOM 0 HE2 HIS A 68 15.470 12.246 -1.929 1.00 0.00 H new TER 1150 HIS A 68