USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 600 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 26 THR OG1 : rot -176:sc= 0.725 USER MOD Set 1.2: A 28 SER OG : rot -69:sc= 0.822 USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 1.01 (180deg=0.932) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 1.16 (180deg=0.923) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= 0.948 (180deg=0.817) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 1 (180deg=0.828) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.06 (180deg=0.826) USER MOD Single : A 35 HIS : no HE2:sc= 0.798 K(o=0.8,f=-2.8!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -120:sc= 0 (180deg=-0.175) USER MOD Single : A 46 GLN : amide:sc= 0.887 K(o=0.89,f=-0.84) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.559 USER MOD Single : A 49 TYR OH : rot 103:sc= 0.0579 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.39) USER MOD Single : A 62 ASN : amide:sc= 0.838 K(o=0.84,f=-5.3!) USER MOD Single : A 64 TYR OH : rot 60:sc= 0.434 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 70 SER OG : rot 58:sc= 0.0181 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -6.460 14.340 9.135 1.00 0.00 N ATOM 38 CA ARG A 4 -6.196 12.906 9.179 1.00 0.00 C ATOM 39 C ARG A 4 -6.102 12.327 7.772 1.00 0.00 C ATOM 40 O ARG A 4 -6.315 11.132 7.564 1.00 0.00 O ATOM 41 CB ARG A 4 -7.215 12.159 10.025 1.00 0.00 C ATOM 42 CG ARG A 4 -7.312 12.625 11.470 1.00 0.00 C ATOM 43 CD ARG A 4 -8.399 11.979 12.250 1.00 0.00 C ATOM 44 NE ARG A 4 -8.603 12.537 13.576 1.00 0.00 N ATOM 45 CZ ARG A 4 -9.552 12.130 14.441 1.00 0.00 C ATOM 46 NH1 ARG A 4 -10.409 11.190 14.112 1.00 0.00 N ATOM 47 NH2 ARG A 4 -9.615 12.718 15.623 1.00 0.00 N ATOM 0 HA ARG A 4 -5.230 12.769 9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.196 12.259 9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.965 11.098 10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.361 12.432 11.966 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.464 13.704 11.482 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.330 12.060 11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.177 10.916 12.347 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.983 13.291 13.873 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.362 10.757 13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.122 10.893 14.779 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.955 13.459 15.860 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.323 12.431 16.298 1.00 0.00 H new ATOM 61 N LYS A 5 -5.783 13.182 6.805 1.00 0.00 N ATOM 62 CA LYS A 5 -5.624 12.749 5.422 1.00 0.00 C ATOM 63 C LYS A 5 -4.148 12.656 5.047 1.00 0.00 C ATOM 64 O LYS A 5 -3.362 13.553 5.354 1.00 0.00 O ATOM 65 CB LYS A 5 -6.351 13.704 4.473 1.00 0.00 C ATOM 66 CG LYS A 5 -7.850 13.815 4.719 1.00 0.00 C ATOM 67 CD LYS A 5 -8.564 12.517 4.373 1.00 0.00 C ATOM 68 CE LYS A 5 -10.070 12.649 4.548 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.786 11.402 4.166 1.00 0.00 N ATOM 0 H LYS A 5 -5.630 14.179 6.954 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.066 11.757 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.906 14.695 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.187 13.373 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.032 14.065 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.260 14.629 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.339 12.239 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.191 11.714 5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.295 12.893 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.435 13.477 3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.782 11.471 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.734 11.274 3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.343 10.589 4.639 1.00 0.00 H new ATOM 83 N ILE A 6 -3.779 11.567 4.381 1.00 0.00 N ATOM 84 CA ILE A 6 -2.423 11.403 3.875 1.00 0.00 C ATOM 85 C ILE A 6 -2.428 10.820 2.466 1.00 0.00 C ATOM 86 O ILE A 6 -3.355 10.107 2.082 1.00 0.00 O ATOM 87 CB ILE A 6 -1.582 10.498 4.794 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.246 9.126 4.943 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.391 11.150 6.155 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.403 8.118 5.692 1.00 0.00 C ATOM 0 H ILE A 6 -4.401 10.785 4.179 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.974 12.396 3.852 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.601 10.360 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.197 9.247 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.471 8.732 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.794 10.496 6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.878 12.104 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.364 11.318 6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.940 7.172 5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.462 7.966 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.199 8.489 6.696 1.00 0.00 H new ATOM 102 N HIS A 7 -1.385 11.129 1.701 1.00 0.00 N ATOM 103 CA HIS A 7 -1.178 10.498 0.402 1.00 0.00 C ATOM 104 C HIS A 7 -0.052 9.474 0.468 1.00 0.00 C ATOM 105 O HIS A 7 0.932 9.661 1.186 1.00 0.00 O ATOM 106 CB HIS A 7 -0.872 11.549 -0.670 1.00 0.00 C ATOM 107 CG HIS A 7 -2.002 12.498 -0.923 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.050 12.197 -1.768 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.248 13.740 -0.445 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.893 13.215 -1.797 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.429 14.163 -1.004 1.00 0.00 N ATOM 0 H HIS A 7 -0.671 11.811 1.958 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.099 9.982 0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.007 12.118 -0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.620 11.042 -1.601 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.631 14.295 0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.806 13.263 -2.372 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.876 15.064 -0.834 1.00 0.00 H new ATOM 118 N VAL A 8 -0.200 8.387 -0.284 1.00 0.00 N ATOM 119 CA VAL A 8 0.835 7.363 -0.363 1.00 0.00 C ATOM 120 C VAL A 8 1.245 7.108 -1.808 1.00 0.00 C ATOM 121 O VAL A 8 0.399 6.908 -2.680 1.00 0.00 O ATOM 122 CB VAL A 8 0.371 6.039 0.272 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.471 4.992 0.182 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.039 6.256 1.720 1.00 0.00 C ATOM 0 H VAL A 8 -1.028 8.193 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 8 1.693 7.739 0.194 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.496 5.678 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.127 4.063 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.720 4.815 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.356 5.347 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.364 5.309 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.810 6.640 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.858 6.974 1.763 1.00 0.00 H new ATOM 134 N THR A 9 2.552 7.114 -2.058 1.00 0.00 N ATOM 135 CA THR A 9 3.076 6.885 -3.397 1.00 0.00 C ATOM 136 C THR A 9 3.240 5.393 -3.675 1.00 0.00 C ATOM 137 O THR A 9 3.984 4.701 -2.980 1.00 0.00 O ATOM 138 CB THR A 9 4.431 7.588 -3.601 1.00 0.00 C ATOM 139 OG1 THR A 9 4.267 9.002 -3.438 1.00 0.00 O ATOM 140 CG2 THR A 9 4.975 7.301 -4.993 1.00 0.00 C ATOM 0 H THR A 9 3.266 7.275 -1.348 1.00 0.00 H new ATOM 0 HA THR A 9 2.352 7.305 -4.095 1.00 0.00 H new ATOM 0 HB THR A 9 5.136 7.210 -2.861 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.130 9.448 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.933 7.805 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.111 6.227 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.271 7.665 -5.741 1.00 0.00 H new ATOM 148 N VAL A 10 2.541 4.906 -4.694 1.00 0.00 N ATOM 149 CA VAL A 10 2.567 3.488 -5.030 1.00 0.00 C ATOM 150 C VAL A 10 3.554 3.208 -6.158 1.00 0.00 C ATOM 151 O VAL A 10 3.364 3.652 -7.290 1.00 0.00 O ATOM 152 CB VAL A 10 1.173 2.979 -5.442 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.202 1.474 -5.668 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.141 3.337 -4.384 1.00 0.00 C ATOM 0 H VAL A 10 1.949 5.473 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 10 2.886 2.958 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 10 0.891 3.464 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.209 1.130 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.913 1.239 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.504 0.974 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.838 2.970 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.419 2.878 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.102 4.420 -4.266 1.00 0.00 H new ATOM 164 N LYS A 11 4.610 2.466 -5.841 1.00 0.00 N ATOM 165 CA LYS A 11 5.682 2.213 -6.797 1.00 0.00 C ATOM 166 C LYS A 11 5.607 0.787 -7.334 1.00 0.00 C ATOM 167 O LYS A 11 5.759 -0.178 -6.585 1.00 0.00 O ATOM 168 CB LYS A 11 7.047 2.463 -6.154 1.00 0.00 C ATOM 169 CG LYS A 11 7.291 3.908 -5.739 1.00 0.00 C ATOM 170 CD LYS A 11 8.695 4.096 -5.186 1.00 0.00 C ATOM 171 CE LYS A 11 8.925 5.530 -4.731 1.00 0.00 C ATOM 172 NZ LYS A 11 10.327 5.753 -4.283 1.00 0.00 N ATOM 0 H LYS A 11 4.746 2.029 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 11 5.557 2.902 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.144 1.824 -5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.826 2.162 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.145 4.564 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.559 4.201 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.851 3.417 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.427 3.833 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.693 6.212 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.242 5.766 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.398 6.677 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.603 5.002 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.962 5.736 -5.107 1.00 0.00 H new ATOM 186 N PHE A 12 5.372 0.661 -8.636 1.00 0.00 N ATOM 187 CA PHE A 12 5.619 -0.593 -9.339 1.00 0.00 C ATOM 188 C PHE A 12 6.865 -0.492 -10.212 1.00 0.00 C ATOM 189 O PHE A 12 7.323 0.596 -10.561 1.00 0.00 O ATOM 190 CB PHE A 12 4.407 -0.975 -10.191 1.00 0.00 C ATOM 191 CG PHE A 12 3.204 -1.381 -9.386 1.00 0.00 C ATOM 192 CD1 PHE A 12 3.043 -2.692 -8.966 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.232 -0.452 -9.048 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.938 -3.068 -8.226 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.125 -0.824 -8.309 1.00 0.00 C ATOM 196 CZ PHE A 12 0.978 -2.132 -7.898 1.00 0.00 C ATOM 0 H PHE A 12 5.011 1.411 -9.225 1.00 0.00 H new ATOM 0 HA PHE A 12 5.785 -1.371 -8.594 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.140 -0.130 -10.826 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.684 -1.796 -10.853 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.790 -3.429 -9.220 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.341 0.574 -9.366 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.826 -4.093 -7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.375 -0.090 -8.053 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.113 -2.424 -7.320 1.00 0.00 H new ATOM 206 N PRO A 13 7.430 -1.654 -10.573 1.00 0.00 N ATOM 207 CA PRO A 13 8.628 -1.724 -11.416 1.00 0.00 C ATOM 208 C PRO A 13 8.394 -1.134 -12.802 1.00 0.00 C ATOM 209 O PRO A 13 9.331 -0.679 -13.459 1.00 0.00 O ATOM 210 CB PRO A 13 8.944 -3.222 -11.484 1.00 0.00 C ATOM 211 CG PRO A 13 7.654 -3.890 -11.151 1.00 0.00 C ATOM 212 CD PRO A 13 6.995 -2.998 -10.132 1.00 0.00 C ATOM 0 HA PRO A 13 9.452 -1.139 -11.008 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.296 -3.509 -12.475 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.727 -3.495 -10.777 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.029 -4.003 -12.037 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.821 -4.889 -10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.910 -3.099 -10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.327 -3.222 -9.118 1.00 0.00 H new ATOM 220 N SER A 14 7.139 -1.142 -13.241 1.00 0.00 N ATOM 221 CA SER A 14 6.806 -0.760 -14.609 1.00 0.00 C ATOM 222 C SER A 14 5.944 0.499 -14.626 1.00 0.00 C ATOM 223 O SER A 14 5.787 1.145 -15.661 1.00 0.00 O ATOM 224 CB SER A 14 6.094 -1.900 -15.312 1.00 0.00 C ATOM 225 OG SER A 14 4.880 -2.224 -14.692 1.00 0.00 O ATOM 0 H SER A 14 6.337 -1.408 -12.670 1.00 0.00 H new ATOM 0 HA SER A 14 7.732 -0.544 -15.141 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.909 -1.626 -16.351 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.740 -2.778 -15.325 1.00 0.00 H new ATOM 0 HG SER A 14 4.452 -2.961 -15.176 1.00 0.00 H new ATOM 231 N LYS A 15 5.390 0.844 -13.467 1.00 0.00 N ATOM 232 CA LYS A 15 4.480 1.979 -13.363 1.00 0.00 C ATOM 233 C LYS A 15 4.510 2.573 -11.959 1.00 0.00 C ATOM 234 O LYS A 15 4.942 1.920 -11.009 1.00 0.00 O ATOM 235 CB LYS A 15 3.055 1.561 -13.728 1.00 0.00 C ATOM 236 CG LYS A 15 2.433 0.547 -12.777 1.00 0.00 C ATOM 237 CD LYS A 15 1.110 0.022 -13.314 1.00 0.00 C ATOM 238 CE LYS A 15 0.049 1.113 -13.340 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.282 0.587 -13.747 1.00 0.00 N ATOM 0 H LYS A 15 5.556 0.354 -12.588 1.00 0.00 H new ATOM 0 HA LYS A 15 4.812 2.742 -14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.424 2.450 -13.755 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.059 1.142 -14.734 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.122 -0.284 -12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.274 1.009 -11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.254 -0.371 -14.320 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.767 -0.806 -12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.028 1.568 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.355 1.899 -14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.912 1.381 -13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.173 -0.026 -14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.693 0.039 -12.965 1.00 0.00 H new ATOM 253 N GLN A 16 4.049 3.814 -11.836 1.00 0.00 N ATOM 254 CA GLN A 16 3.880 4.438 -10.529 1.00 0.00 C ATOM 255 C GLN A 16 2.613 5.288 -10.492 1.00 0.00 C ATOM 256 O GLN A 16 2.195 5.841 -11.510 1.00 0.00 O ATOM 257 CB GLN A 16 5.094 5.303 -10.185 1.00 0.00 C ATOM 258 CG GLN A 16 6.386 4.522 -10.011 1.00 0.00 C ATOM 259 CD GLN A 16 7.543 5.404 -9.583 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.369 6.598 -9.322 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.735 4.822 -9.512 1.00 0.00 N ATOM 0 H GLN A 16 3.786 4.406 -12.624 1.00 0.00 H new ATOM 0 HA GLN A 16 3.789 3.643 -9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.233 6.043 -10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.887 5.851 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.236 3.738 -9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.638 4.028 -10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.833 3.832 -9.737 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.552 5.365 -9.233 1.00 0.00 H new ATOM 270 N PHE A 17 2.006 5.387 -9.314 1.00 0.00 N ATOM 271 CA PHE A 17 0.857 6.263 -9.117 1.00 0.00 C ATOM 272 C PHE A 17 0.618 6.520 -7.632 1.00 0.00 C ATOM 273 O PHE A 17 1.155 5.818 -6.774 1.00 0.00 O ATOM 274 CB PHE A 17 -0.394 5.660 -9.758 1.00 0.00 C ATOM 275 CG PHE A 17 -0.762 4.310 -9.215 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.561 4.193 -8.087 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.309 3.152 -9.829 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.900 2.951 -7.586 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.648 1.908 -9.331 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.444 1.808 -8.208 1.00 0.00 C ATOM 0 H PHE A 17 2.291 4.871 -8.481 1.00 0.00 H new ATOM 0 HA PHE A 17 1.072 7.216 -9.600 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.232 6.342 -9.610 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.236 5.578 -10.833 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.922 5.084 -7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.316 3.223 -10.707 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.522 2.875 -6.707 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.290 1.014 -9.821 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.709 0.837 -7.817 1.00 0.00 H new ATOM 290 N THR A 18 -0.193 7.532 -7.335 1.00 0.00 N ATOM 291 CA THR A 18 -0.431 7.941 -5.958 1.00 0.00 C ATOM 292 C THR A 18 -1.859 7.627 -5.529 1.00 0.00 C ATOM 293 O THR A 18 -2.777 7.623 -6.350 1.00 0.00 O ATOM 294 CB THR A 18 -0.165 9.445 -5.762 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.030 10.202 -6.618 1.00 0.00 O ATOM 296 CG2 THR A 18 1.283 9.778 -6.088 1.00 0.00 C ATOM 0 H THR A 18 -0.696 8.083 -8.031 1.00 0.00 H new ATOM 0 HA THR A 18 0.264 7.375 -5.337 1.00 0.00 H new ATOM 0 HB THR A 18 -0.360 9.700 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.861 11.159 -6.491 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.452 10.845 -5.944 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.943 9.214 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.492 9.514 -7.125 1.00 0.00 H new ATOM 304 N VAL A 19 -2.041 7.364 -4.239 1.00 0.00 N ATOM 305 CA VAL A 19 -3.372 7.141 -3.685 1.00 0.00 C ATOM 306 C VAL A 19 -3.601 7.997 -2.445 1.00 0.00 C ATOM 307 O VAL A 19 -2.650 8.440 -1.801 1.00 0.00 O ATOM 308 CB VAL A 19 -3.592 5.660 -3.324 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.508 4.790 -4.570 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.574 5.206 -2.289 1.00 0.00 C ATOM 0 H VAL A 19 -1.284 7.300 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.087 7.426 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.589 5.555 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.666 3.747 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.274 5.098 -5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.524 4.901 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.745 4.157 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.568 5.326 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.679 5.809 -1.387 1.00 0.00 H new ATOM 320 N GLU A 20 -4.868 8.223 -2.114 1.00 0.00 N ATOM 321 CA GLU A 20 -5.222 9.022 -0.946 1.00 0.00 C ATOM 322 C GLU A 20 -5.920 8.166 0.106 1.00 0.00 C ATOM 323 O GLU A 20 -6.946 7.541 -0.166 1.00 0.00 O ATOM 324 CB GLU A 20 -6.116 10.197 -1.349 1.00 0.00 C ATOM 325 CG GLU A 20 -6.512 11.110 -0.196 1.00 0.00 C ATOM 326 CD GLU A 20 -7.401 12.227 -0.666 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.717 12.261 -1.830 1.00 0.00 O ATOM 328 OE2 GLU A 20 -7.857 12.983 0.160 1.00 0.00 O ATOM 0 H GLU A 20 -5.667 7.864 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.301 9.415 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.599 10.789 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.021 9.806 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.027 10.530 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.616 11.525 0.267 1.00 0.00 H new ATOM 335 N VAL A 21 -5.358 8.141 1.309 1.00 0.00 N ATOM 336 CA VAL A 21 -5.872 7.293 2.378 1.00 0.00 C ATOM 337 C VAL A 21 -5.951 8.055 3.695 1.00 0.00 C ATOM 338 O VAL A 21 -5.422 9.160 3.817 1.00 0.00 O ATOM 339 CB VAL A 21 -5.000 6.038 2.573 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.026 5.171 1.324 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.572 6.430 2.918 1.00 0.00 C ATOM 0 H VAL A 21 -4.545 8.699 1.569 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.874 6.984 2.080 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.409 5.461 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.405 4.289 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.050 4.861 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.642 5.740 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.970 5.531 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.154 7.029 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.567 7.011 3.840 1.00 0.00 H new ATOM 351 N ASP A 22 -6.616 7.461 4.678 1.00 0.00 N ATOM 352 CA ASP A 22 -6.732 8.064 6.001 1.00 0.00 C ATOM 353 C ASP A 22 -5.592 7.612 6.906 1.00 0.00 C ATOM 354 O ASP A 22 -5.180 6.453 6.870 1.00 0.00 O ATOM 355 CB ASP A 22 -8.081 7.718 6.635 1.00 0.00 C ATOM 356 CG ASP A 22 -9.284 8.324 5.926 1.00 0.00 C ATOM 357 OD1 ASP A 22 -9.258 9.501 5.656 1.00 0.00 O ATOM 358 OD2 ASP A 22 -10.147 7.581 5.523 1.00 0.00 O ATOM 0 H ASP A 22 -7.085 6.560 4.584 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.669 9.146 5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.193 6.634 6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.078 8.055 7.672 1.00 0.00 H new ATOM 363 N ARG A 23 -5.087 8.535 7.718 1.00 0.00 N ATOM 364 CA ARG A 23 -3.941 8.254 8.576 1.00 0.00 C ATOM 365 C ARG A 23 -4.303 7.230 9.648 1.00 0.00 C ATOM 366 O ARG A 23 -3.473 6.416 10.050 1.00 0.00 O ATOM 367 CB ARG A 23 -3.353 9.518 9.184 1.00 0.00 C ATOM 368 CG ARG A 23 -2.135 9.297 10.068 1.00 0.00 C ATOM 369 CD ARG A 23 -1.488 10.546 10.542 1.00 0.00 C ATOM 370 NE ARG A 23 -0.469 10.347 11.562 1.00 0.00 N ATOM 371 CZ ARG A 23 0.217 11.341 12.161 1.00 0.00 C ATOM 372 NH1 ARG A 23 0.025 12.596 11.824 1.00 0.00 N ATOM 373 NH2 ARG A 23 1.107 11.016 13.083 1.00 0.00 N ATOM 0 H ARG A 23 -5.453 9.484 7.800 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.163 7.822 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.080 10.198 8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.125 10.014 9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.432 8.705 10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.402 8.709 9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.037 11.053 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.256 11.211 10.938 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.259 9.389 11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.652 12.831 11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.553 13.335 12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.258 10.036 13.323 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.642 11.745 13.555 1.00 0.00 H new ATOM 387 N THR A 24 -5.550 7.280 10.108 1.00 0.00 N ATOM 388 CA THR A 24 -5.990 6.436 11.212 1.00 0.00 C ATOM 389 C THR A 24 -6.510 5.096 10.705 1.00 0.00 C ATOM 390 O THR A 24 -6.827 4.205 11.494 1.00 0.00 O ATOM 391 CB THR A 24 -7.090 7.120 12.044 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.240 7.355 11.221 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.590 8.445 12.600 1.00 0.00 C ATOM 0 H THR A 24 -6.272 7.895 9.733 1.00 0.00 H new ATOM 0 HA THR A 24 -5.120 6.270 11.847 1.00 0.00 H new ATOM 0 HB THR A 24 -7.357 6.466 12.874 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.940 7.789 11.753 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.380 8.915 13.186 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.723 8.269 13.236 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.308 9.102 11.777 1.00 0.00 H new ATOM 401 N GLU A 25 -6.596 4.960 9.386 1.00 0.00 N ATOM 402 CA GLU A 25 -7.077 3.725 8.775 1.00 0.00 C ATOM 403 C GLU A 25 -5.951 2.702 8.656 1.00 0.00 C ATOM 404 O GLU A 25 -4.772 3.059 8.631 1.00 0.00 O ATOM 405 CB GLU A 25 -7.683 4.008 7.399 1.00 0.00 C ATOM 406 CG GLU A 25 -8.364 2.809 6.754 1.00 0.00 C ATOM 407 CD GLU A 25 -9.444 2.253 7.641 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.116 1.661 8.642 1.00 0.00 O ATOM 409 OE2 GLU A 25 -10.594 2.514 7.379 1.00 0.00 O ATOM 0 H GLU A 25 -6.339 5.688 8.720 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.851 3.309 9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.409 4.815 7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.896 4.364 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.793 3.103 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.625 2.035 6.548 1.00 0.00 H new ATOM 416 N THR A 26 -6.323 1.427 8.585 1.00 0.00 N ATOM 417 CA THR A 26 -5.346 0.350 8.494 1.00 0.00 C ATOM 418 C THR A 26 -4.868 0.160 7.061 1.00 0.00 C ATOM 419 O THR A 26 -5.429 0.735 6.127 1.00 0.00 O ATOM 420 CB THR A 26 -5.922 -0.980 9.014 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.053 -1.358 8.219 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.350 -0.845 10.467 1.00 0.00 C ATOM 0 H THR A 26 -7.294 1.116 8.589 1.00 0.00 H new ATOM 0 HA THR A 26 -4.501 0.638 9.120 1.00 0.00 H new ATOM 0 HB THR A 26 -5.149 -1.745 8.944 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.456 -2.171 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.754 -1.795 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.489 -0.571 11.076 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.114 -0.072 10.551 1.00 0.00 H new ATOM 430 N VAL A 27 -3.827 -0.649 6.890 1.00 0.00 N ATOM 431 CA VAL A 27 -3.225 -0.855 5.578 1.00 0.00 C ATOM 432 C VAL A 27 -4.186 -1.579 4.641 1.00 0.00 C ATOM 433 O VAL A 27 -4.047 -1.509 3.419 1.00 0.00 O ATOM 434 CB VAL A 27 -1.915 -1.659 5.678 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.909 -0.933 6.558 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.186 -3.054 6.221 1.00 0.00 C ATOM 0 H VAL A 27 -3.383 -1.173 7.644 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.003 0.133 5.174 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.493 -1.754 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.010 -1.516 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.691 0.046 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.324 -0.808 7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.249 -3.608 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.631 -2.978 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.872 -3.577 5.555 1.00 0.00 H new ATOM 446 N SER A 28 -5.161 -2.271 5.221 1.00 0.00 N ATOM 447 CA SER A 28 -6.110 -3.056 4.439 1.00 0.00 C ATOM 448 C SER A 28 -6.906 -2.162 3.494 1.00 0.00 C ATOM 449 O SER A 28 -7.315 -2.589 2.414 1.00 0.00 O ATOM 450 CB SER A 28 -7.042 -3.819 5.360 1.00 0.00 C ATOM 451 OG SER A 28 -7.915 -2.967 6.049 1.00 0.00 O ATOM 0 H SER A 28 -5.315 -2.304 6.229 1.00 0.00 H new ATOM 0 HA SER A 28 -5.550 -3.771 3.836 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.620 -4.536 4.777 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.454 -4.392 6.077 1.00 0.00 H new ATOM 0 HG SER A 28 -7.408 -2.433 6.696 1.00 0.00 H new ATOM 457 N SER A 29 -7.124 -0.919 3.909 1.00 0.00 N ATOM 458 CA SER A 29 -7.728 0.083 3.037 1.00 0.00 C ATOM 459 C SER A 29 -6.754 0.507 1.941 1.00 0.00 C ATOM 460 O SER A 29 -7.141 0.678 0.784 1.00 0.00 O ATOM 461 CB SER A 29 -8.169 1.286 3.848 1.00 0.00 C ATOM 462 OG SER A 29 -8.756 2.274 3.048 1.00 0.00 O ATOM 0 H SER A 29 -6.892 -0.581 4.843 1.00 0.00 H new ATOM 0 HA SER A 29 -8.603 -0.359 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.880 0.968 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.309 1.706 4.370 1.00 0.00 H new ATOM 0 HG SER A 29 -9.027 3.031 3.609 1.00 0.00 H new ATOM 468 N LEU A 30 -5.490 0.672 2.313 1.00 0.00 N ATOM 469 CA LEU A 30 -4.460 1.078 1.362 1.00 0.00 C ATOM 470 C LEU A 30 -4.310 0.045 0.250 1.00 0.00 C ATOM 471 O LEU A 30 -4.272 0.390 -0.931 1.00 0.00 O ATOM 472 CB LEU A 30 -3.123 1.288 2.083 1.00 0.00 C ATOM 473 CG LEU A 30 -1.937 1.627 1.173 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.201 2.931 0.434 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.668 1.728 2.006 1.00 0.00 C ATOM 0 H LEU A 30 -5.153 0.531 3.265 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.765 2.022 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.243 2.091 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.884 0.384 2.642 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.810 0.836 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.352 3.163 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.100 2.829 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.340 3.736 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.175 1.969 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.786 2.511 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.482 0.776 2.503 1.00 0.00 H new ATOM 487 N LYS A 31 -4.227 -1.224 0.635 1.00 0.00 N ATOM 488 CA LYS A 31 -4.027 -2.303 -0.324 1.00 0.00 C ATOM 489 C LYS A 31 -5.272 -2.508 -1.181 1.00 0.00 C ATOM 490 O LYS A 31 -5.176 -2.839 -2.362 1.00 0.00 O ATOM 491 CB LYS A 31 -3.661 -3.601 0.396 1.00 0.00 C ATOM 492 CG LYS A 31 -4.825 -4.273 1.112 1.00 0.00 C ATOM 493 CD LYS A 31 -4.366 -5.497 1.889 1.00 0.00 C ATOM 494 CE LYS A 31 -5.542 -6.225 2.523 1.00 0.00 C ATOM 495 NZ LYS A 31 -5.104 -7.406 3.316 1.00 0.00 N ATOM 0 H LYS A 31 -4.295 -1.530 1.606 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.202 -2.022 -0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.245 -4.300 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.876 -3.390 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.294 -3.563 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.582 -4.565 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.833 -6.175 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.662 -5.195 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.089 -5.538 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.232 -6.547 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.929 -7.996 3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.424 -7.964 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.652 -7.085 4.196 1.00 0.00 H new ATOM 509 N ASP A 32 -6.439 -2.308 -0.579 1.00 0.00 N ATOM 510 CA ASP A 32 -7.701 -2.404 -1.303 1.00 0.00 C ATOM 511 C ASP A 32 -7.757 -1.382 -2.434 1.00 0.00 C ATOM 512 O ASP A 32 -8.134 -1.706 -3.560 1.00 0.00 O ATOM 513 CB ASP A 32 -8.884 -2.208 -0.352 1.00 0.00 C ATOM 514 CG ASP A 32 -10.250 -2.370 -1.005 1.00 0.00 C ATOM 515 OD1 ASP A 32 -10.532 -3.439 -1.491 1.00 0.00 O ATOM 516 OD2 ASP A 32 -11.056 -1.480 -0.878 1.00 0.00 O ATOM 0 H ASP A 32 -6.537 -2.078 0.410 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.765 -3.401 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.799 -2.923 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.820 -1.212 0.087 1.00 0.00 H new ATOM 521 N LYS A 33 -7.381 -0.146 -2.126 1.00 0.00 N ATOM 522 CA LYS A 33 -7.417 0.932 -3.108 1.00 0.00 C ATOM 523 C LYS A 33 -6.385 0.702 -4.207 1.00 0.00 C ATOM 524 O LYS A 33 -6.642 0.975 -5.379 1.00 0.00 O ATOM 525 CB LYS A 33 -7.179 2.282 -2.431 1.00 0.00 C ATOM 526 CG LYS A 33 -8.353 2.788 -1.604 1.00 0.00 C ATOM 527 CD LYS A 33 -7.996 4.067 -0.860 1.00 0.00 C ATOM 528 CE LYS A 33 -9.184 4.599 -0.070 1.00 0.00 C ATOM 529 NZ LYS A 33 -8.781 5.659 0.893 1.00 0.00 N ATOM 0 H LYS A 33 -7.048 0.135 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.407 0.940 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.304 2.202 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.944 3.022 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.208 2.970 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.655 2.022 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.163 3.876 -0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.662 4.823 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.928 4.999 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.657 3.779 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.624 6.179 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.314 5.223 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.122 6.317 0.429 1.00 0.00 H new ATOM 543 N ILE A 34 -5.217 0.199 -3.819 1.00 0.00 N ATOM 544 CA ILE A 34 -4.220 -0.245 -4.784 1.00 0.00 C ATOM 545 C ILE A 34 -4.754 -1.389 -5.639 1.00 0.00 C ATOM 546 O ILE A 34 -4.483 -1.461 -6.838 1.00 0.00 O ATOM 547 CB ILE A 34 -2.922 -0.695 -4.090 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.243 0.494 -3.404 1.00 0.00 C ATOM 549 CG2 ILE A 34 -1.981 -1.345 -5.091 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.150 0.099 -2.438 1.00 0.00 C ATOM 0 H ILE A 34 -4.939 0.089 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.999 0.609 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.174 -1.433 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.822 1.149 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.997 1.071 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.068 -1.657 -4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.465 -2.215 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.733 -0.630 -5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.717 0.995 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.568 -0.531 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.375 -0.452 -2.971 1.00 0.00 H new ATOM 562 N HIS A 35 -5.514 -2.282 -5.015 1.00 0.00 N ATOM 563 CA HIS A 35 -6.133 -3.392 -5.729 1.00 0.00 C ATOM 564 C HIS A 35 -7.182 -2.888 -6.714 1.00 0.00 C ATOM 565 O HIS A 35 -7.326 -3.426 -7.812 1.00 0.00 O ATOM 566 CB HIS A 35 -6.767 -4.384 -4.748 1.00 0.00 C ATOM 567 CG HIS A 35 -7.713 -5.348 -5.393 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.292 -6.339 -6.254 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.058 -5.472 -5.305 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.339 -7.033 -6.667 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.421 -6.526 -6.107 1.00 0.00 N ATOM 0 H HIS A 35 -5.716 -2.259 -4.016 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.351 -3.906 -6.288 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.976 -4.944 -4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.299 -3.828 -3.976 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.325 -6.510 -6.529 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.721 -4.857 -4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.313 -7.872 -7.347 1.00 0.00 H new ATOM 578 N ILE A 36 -7.913 -1.852 -6.315 1.00 0.00 N ATOM 579 CA ILE A 36 -8.916 -1.245 -7.181 1.00 0.00 C ATOM 580 C ILE A 36 -8.274 -0.656 -8.433 1.00 0.00 C ATOM 581 O ILE A 36 -8.819 -0.761 -9.532 1.00 0.00 O ATOM 582 CB ILE A 36 -9.703 -0.143 -6.448 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.607 -0.756 -5.377 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.520 0.674 -7.437 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.202 0.257 -4.426 1.00 0.00 C ATOM 0 H ILE A 36 -7.829 -1.416 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.607 -2.037 -7.469 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.993 0.523 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.415 -1.300 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.033 -1.484 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.070 1.448 -6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.853 1.138 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.223 0.021 -7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.830 -0.254 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.401 0.785 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.805 0.972 -4.986 1.00 0.00 H new ATOM 597 N VAL A 37 -7.113 -0.033 -8.261 1.00 0.00 N ATOM 598 CA VAL A 37 -6.381 0.549 -9.380 1.00 0.00 C ATOM 599 C VAL A 37 -5.835 -0.536 -10.303 1.00 0.00 C ATOM 600 O VAL A 37 -5.874 -0.400 -11.524 1.00 0.00 O ATOM 601 CB VAL A 37 -5.215 1.428 -8.892 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.352 1.868 -10.065 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.740 2.632 -8.125 1.00 0.00 C ATOM 0 H VAL A 37 -6.658 0.082 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.087 1.170 -9.932 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.596 0.838 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.533 2.488 -9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.947 0.990 -10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.957 2.441 -10.767 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.902 3.242 -7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.383 3.226 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.312 2.292 -7.262 1.00 0.00 H new ATOM 613 N GLU A 38 -5.329 -1.611 -9.708 1.00 0.00 N ATOM 614 CA GLU A 38 -4.740 -2.701 -10.476 1.00 0.00 C ATOM 615 C GLU A 38 -5.767 -3.798 -10.741 1.00 0.00 C ATOM 616 O GLU A 38 -6.931 -3.677 -10.358 1.00 0.00 O ATOM 617 CB GLU A 38 -3.527 -3.280 -9.743 1.00 0.00 C ATOM 618 CG GLU A 38 -2.356 -2.318 -9.611 1.00 0.00 C ATOM 619 CD GLU A 38 -1.796 -1.949 -10.956 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.404 -2.833 -11.678 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.864 -0.795 -11.310 1.00 0.00 O ATOM 0 H GLU A 38 -5.315 -1.750 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.412 -2.299 -11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.836 -3.596 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.191 -4.173 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.680 -1.417 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.575 -2.774 -9.003 1.00 0.00 H new ATOM 628 N ASN A 39 -5.329 -4.865 -11.399 1.00 0.00 N ATOM 629 CA ASN A 39 -6.194 -6.008 -11.663 1.00 0.00 C ATOM 630 C ASN A 39 -5.610 -7.284 -11.065 1.00 0.00 C ATOM 631 O ASN A 39 -5.874 -8.388 -11.544 1.00 0.00 O ATOM 632 CB ASN A 39 -6.441 -6.189 -13.150 1.00 0.00 C ATOM 633 CG ASN A 39 -7.206 -5.058 -13.779 1.00 0.00 C ATOM 634 OD1 ASN A 39 -8.405 -4.878 -13.530 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.544 -4.344 -14.653 1.00 0.00 N ATOM 0 H ASN A 39 -4.380 -4.962 -11.759 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.152 -5.806 -11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.482 -6.294 -13.658 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.989 -7.118 -13.308 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.016 -3.599 -15.165 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.556 -4.532 -14.822 1.00 0.00 H new ATOM 642 N THR A 40 -4.812 -7.126 -10.013 1.00 0.00 N ATOM 643 CA THR A 40 -4.207 -8.264 -9.333 1.00 0.00 C ATOM 644 C THR A 40 -4.821 -8.469 -7.954 1.00 0.00 C ATOM 645 O THR A 40 -4.885 -7.552 -7.134 1.00 0.00 O ATOM 646 CB THR A 40 -2.684 -8.092 -9.187 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.083 -8.008 -10.487 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.084 -9.267 -8.431 1.00 0.00 C ATOM 0 H THR A 40 -4.570 -6.219 -9.613 1.00 0.00 H new ATOM 0 HA THR A 40 -4.405 -9.141 -9.950 1.00 0.00 H new ATOM 0 HB THR A 40 -2.489 -7.176 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.114 -7.897 -10.393 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.007 -9.128 -8.338 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.530 -9.327 -7.438 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.285 -10.190 -8.975 1.00 0.00 H new ATOM 656 N PRO A 41 -5.280 -9.699 -7.686 1.00 0.00 N ATOM 657 CA PRO A 41 -5.931 -10.045 -6.418 1.00 0.00 C ATOM 658 C PRO A 41 -5.086 -9.660 -5.208 1.00 0.00 C ATOM 659 O PRO A 41 -3.859 -9.763 -5.240 1.00 0.00 O ATOM 660 CB PRO A 41 -6.137 -11.560 -6.509 1.00 0.00 C ATOM 661 CG PRO A 41 -6.258 -11.831 -7.969 1.00 0.00 C ATOM 662 CD PRO A 41 -5.311 -10.867 -8.634 1.00 0.00 C ATOM 0 HA PRO A 41 -6.866 -9.503 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.298 -12.102 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.032 -11.872 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.995 -12.863 -8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.281 -11.678 -8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.321 -11.303 -8.767 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.665 -10.573 -9.622 1.00 0.00 H new ATOM 670 N ILE A 42 -5.747 -9.217 -4.145 1.00 0.00 N ATOM 671 CA ILE A 42 -5.056 -8.814 -2.928 1.00 0.00 C ATOM 672 C ILE A 42 -4.248 -9.970 -2.346 1.00 0.00 C ATOM 673 O ILE A 42 -3.150 -9.775 -1.825 1.00 0.00 O ATOM 674 CB ILE A 42 -6.041 -8.299 -1.862 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.643 -6.960 -2.295 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.347 -8.165 -0.516 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.797 -6.502 -1.433 1.00 0.00 C ATOM 0 H ILE A 42 -6.762 -9.128 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.380 -8.004 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.850 -9.022 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.863 -6.199 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.983 -7.042 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.058 -7.800 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.966 -9.138 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.519 -7.461 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.170 -5.547 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.596 -7.243 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.458 -6.386 -0.403 1.00 0.00 H new ATOM 689 N LYS A 43 -4.800 -11.175 -2.439 1.00 0.00 N ATOM 690 CA LYS A 43 -4.136 -12.362 -1.914 1.00 0.00 C ATOM 691 C LYS A 43 -2.854 -12.658 -2.685 1.00 0.00 C ATOM 692 O LYS A 43 -1.964 -13.347 -2.188 1.00 0.00 O ATOM 693 CB LYS A 43 -5.074 -13.570 -1.967 1.00 0.00 C ATOM 694 CG LYS A 43 -6.254 -13.493 -1.008 1.00 0.00 C ATOM 695 CD LYS A 43 -7.151 -14.714 -1.133 1.00 0.00 C ATOM 696 CE LYS A 43 -8.313 -14.653 -0.153 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.211 -15.833 -0.280 1.00 0.00 N ATOM 0 H LYS A 43 -5.705 -11.355 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.873 -12.167 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.454 -13.675 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.500 -14.470 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.888 -13.412 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.833 -12.592 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.535 -14.782 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.567 -15.616 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.927 -14.599 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.885 -13.741 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.989 -15.752 0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.600 -15.871 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.672 -16.702 -0.090 1.00 0.00 H new ATOM 711 N ARG A 44 -2.766 -12.128 -3.901 1.00 0.00 N ATOM 712 CA ARG A 44 -1.600 -12.348 -4.747 1.00 0.00 C ATOM 713 C ARG A 44 -0.658 -11.148 -4.696 1.00 0.00 C ATOM 714 O ARG A 44 0.562 -11.301 -4.767 1.00 0.00 O ATOM 715 CB ARG A 44 -1.984 -12.699 -6.177 1.00 0.00 C ATOM 716 CG ARG A 44 -2.821 -13.959 -6.323 1.00 0.00 C ATOM 717 CD ARG A 44 -2.110 -15.213 -5.967 1.00 0.00 C ATOM 718 NE ARG A 44 -2.918 -16.417 -6.075 1.00 0.00 N ATOM 719 CZ ARG A 44 -2.491 -17.656 -5.762 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.257 -17.865 -5.358 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.338 -18.661 -5.896 1.00 0.00 N ATOM 0 H ARG A 44 -3.488 -11.543 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.068 -13.212 -4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.535 -11.862 -6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.073 -12.815 -6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.707 -13.867 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.168 -14.033 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.238 -15.317 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.741 -15.129 -4.945 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.876 -16.317 -6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.607 -17.083 -5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.950 -18.809 -5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.287 -18.488 -6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.043 -19.610 -5.667 1.00 0.00 H new ATOM 735 N MET A 45 -1.232 -9.957 -4.575 1.00 0.00 N ATOM 736 CA MET A 45 -0.445 -8.729 -4.553 1.00 0.00 C ATOM 737 C MET A 45 0.265 -8.562 -3.213 1.00 0.00 C ATOM 738 O MET A 45 -0.335 -8.748 -2.155 1.00 0.00 O ATOM 739 CB MET A 45 -1.338 -7.522 -4.834 1.00 0.00 C ATOM 740 CG MET A 45 -0.590 -6.203 -4.969 1.00 0.00 C ATOM 741 SD MET A 45 -1.695 -4.800 -5.227 1.00 0.00 S ATOM 742 CE MET A 45 -2.396 -4.617 -3.590 1.00 0.00 C ATOM 0 H MET A 45 -2.239 -9.815 -4.491 1.00 0.00 H new ATOM 0 HA MET A 45 0.312 -8.795 -5.334 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.896 -7.705 -5.752 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.068 -7.431 -4.030 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.003 -6.033 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.108 -6.269 -5.804 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.478 -4.741 -3.641 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.975 -5.373 -2.927 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.163 -3.625 -3.203 1.00 0.00 H new ATOM 752 N GLN A 46 1.546 -8.210 -3.267 1.00 0.00 N ATOM 753 CA GLN A 46 2.329 -7.993 -2.057 1.00 0.00 C ATOM 754 C GLN A 46 2.583 -6.507 -1.832 1.00 0.00 C ATOM 755 O GLN A 46 2.941 -5.779 -2.760 1.00 0.00 O ATOM 756 CB GLN A 46 3.664 -8.740 -2.139 1.00 0.00 C ATOM 757 CG GLN A 46 4.501 -8.660 -0.875 1.00 0.00 C ATOM 758 CD GLN A 46 5.767 -9.490 -0.965 1.00 0.00 C ATOM 759 OE1 GLN A 46 6.106 -10.017 -2.029 1.00 0.00 O ATOM 760 NE2 GLN A 46 6.473 -9.615 0.152 1.00 0.00 N ATOM 0 H GLN A 46 2.063 -8.069 -4.135 1.00 0.00 H new ATOM 0 HA GLN A 46 1.756 -8.380 -1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.468 -9.788 -2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.242 -8.337 -2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.765 -7.620 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.907 -9.000 -0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.156 -9.162 1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.333 -10.164 0.153 1.00 0.00 H new ATOM 769 N LEU A 47 2.395 -6.061 -0.595 1.00 0.00 N ATOM 770 CA LEU A 47 2.519 -4.644 -0.265 1.00 0.00 C ATOM 771 C LEU A 47 3.688 -4.408 0.687 1.00 0.00 C ATOM 772 O LEU A 47 3.700 -4.914 1.808 1.00 0.00 O ATOM 773 CB LEU A 47 1.214 -4.126 0.351 1.00 0.00 C ATOM 774 CG LEU A 47 1.278 -2.700 0.914 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.594 -1.712 -0.200 1.00 0.00 C ATOM 776 CD2 LEU A 47 -0.045 -2.357 1.582 1.00 0.00 C ATOM 0 H LEU A 47 2.156 -6.659 0.196 1.00 0.00 H new ATOM 0 HA LEU A 47 2.715 -4.094 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.432 -4.165 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.915 -4.803 1.152 1.00 0.00 H new ATOM 0 HG LEU A 47 2.072 -2.638 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.637 -0.703 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.556 -1.963 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.816 -1.761 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.001 -1.344 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.850 -2.422 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.235 -3.059 2.394 1.00 0.00 H new ATOM 788 N TYR A 48 4.668 -3.635 0.232 1.00 0.00 N ATOM 789 CA TYR A 48 5.834 -3.318 1.048 1.00 0.00 C ATOM 790 C TYR A 48 5.976 -1.810 1.232 1.00 0.00 C ATOM 791 O TYR A 48 5.743 -1.035 0.304 1.00 0.00 O ATOM 792 CB TYR A 48 7.103 -3.894 0.416 1.00 0.00 C ATOM 793 CG TYR A 48 8.382 -3.424 1.074 1.00 0.00 C ATOM 794 CD1 TYR A 48 8.825 -3.992 2.258 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.144 -2.414 0.504 1.00 0.00 C ATOM 796 CE1 TYR A 48 9.993 -3.567 2.862 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.312 -1.980 1.099 1.00 0.00 C ATOM 798 CZ TYR A 48 10.734 -2.559 2.278 1.00 0.00 C ATOM 799 OH TYR A 48 11.898 -2.131 2.875 1.00 0.00 O ATOM 0 H TYR A 48 4.678 -3.216 -0.698 1.00 0.00 H new ATOM 0 HA TYR A 48 5.693 -3.772 2.029 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.060 -4.982 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.127 -3.622 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.247 -4.781 2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.818 -1.960 -0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.324 -4.020 3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.892 -1.191 0.644 1.00 0.00 H new ATOM 0 HH TYR A 48 12.418 -1.601 2.235 1.00 0.00 H new ATOM 809 N TYR A 49 6.360 -1.400 2.435 1.00 0.00 N ATOM 810 CA TYR A 49 6.611 0.008 2.720 1.00 0.00 C ATOM 811 C TYR A 49 8.081 0.241 3.056 1.00 0.00 C ATOM 812 O TYR A 49 8.683 -0.516 3.815 1.00 0.00 O ATOM 813 CB TYR A 49 5.724 0.488 3.871 1.00 0.00 C ATOM 814 CG TYR A 49 6.210 1.759 4.532 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.220 2.962 3.841 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.657 1.752 5.844 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.664 4.126 4.438 1.00 0.00 C ATOM 818 CE2 TYR A 49 7.102 2.910 6.452 1.00 0.00 C ATOM 819 CZ TYR A 49 7.104 4.095 5.746 1.00 0.00 C ATOM 820 OH TYR A 49 7.546 5.251 6.348 1.00 0.00 O ATOM 0 H TYR A 49 6.505 -2.023 3.230 1.00 0.00 H new ATOM 0 HA TYR A 49 6.367 0.582 1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.714 0.649 3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.663 -0.300 4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.875 2.989 2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.657 0.826 6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.667 5.054 3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.447 2.888 7.475 1.00 0.00 H new ATOM 0 HH TYR A 49 6.851 5.594 6.948 1.00 0.00 H new ATOM 830 N SER A 50 8.650 1.297 2.484 1.00 0.00 N ATOM 831 CA SER A 50 10.013 1.703 2.814 1.00 0.00 C ATOM 832 C SER A 50 10.372 1.290 4.238 1.00 0.00 C ATOM 833 O SER A 50 9.949 1.923 5.205 1.00 0.00 O ATOM 834 CB SER A 50 10.169 3.201 2.640 1.00 0.00 C ATOM 835 OG SER A 50 11.469 3.633 2.934 1.00 0.00 O ATOM 0 H SER A 50 8.190 1.887 1.791 1.00 0.00 H new ATOM 0 HA SER A 50 10.698 1.198 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.920 3.474 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.461 3.717 3.289 1.00 0.00 H new ATOM 0 HG SER A 50 11.528 4.603 2.808 1.00 0.00 H new ATOM 841 N GLY A 51 11.158 0.225 4.358 1.00 0.00 N ATOM 842 CA GLY A 51 11.611 -0.219 5.663 1.00 0.00 C ATOM 843 C GLY A 51 10.790 -1.373 6.202 1.00 0.00 C ATOM 844 O GLY A 51 11.228 -2.522 6.173 1.00 0.00 O ATOM 0 H GLY A 51 11.489 -0.338 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.656 -0.521 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.563 0.615 6.363 1.00 0.00 H new ATOM 848 N ILE A 52 9.595 -1.066 6.696 1.00 0.00 N ATOM 849 CA ILE A 52 8.723 -2.082 7.275 1.00 0.00 C ATOM 850 C ILE A 52 7.654 -2.519 6.278 1.00 0.00 C ATOM 851 O ILE A 52 6.978 -1.687 5.674 1.00 0.00 O ATOM 852 CB ILE A 52 8.042 -1.577 8.559 1.00 0.00 C ATOM 853 CG1 ILE A 52 9.092 -1.199 9.607 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.093 -2.632 9.108 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.525 -0.469 10.804 1.00 0.00 C ATOM 0 H ILE A 52 9.208 -0.122 6.707 1.00 0.00 H new ATOM 0 HA ILE A 52 9.354 -2.935 7.525 1.00 0.00 H new ATOM 0 HB ILE A 52 7.462 -0.687 8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.593 -2.105 9.949 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.851 -0.573 9.138 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.620 -2.259 10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.327 -2.855 8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.651 -3.540 9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.329 -0.235 11.502 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.050 0.455 10.475 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.787 -1.100 11.299 1.00 0.00 H new ATOM 867 N GLU A 53 7.507 -3.830 6.115 1.00 0.00 N ATOM 868 CA GLU A 53 6.501 -4.379 5.212 1.00 0.00 C ATOM 869 C GLU A 53 5.106 -4.276 5.824 1.00 0.00 C ATOM 870 O GLU A 53 4.911 -4.570 7.003 1.00 0.00 O ATOM 871 CB GLU A 53 6.822 -5.836 4.871 1.00 0.00 C ATOM 872 CG GLU A 53 5.910 -6.453 3.821 1.00 0.00 C ATOM 873 CD GLU A 53 6.328 -7.857 3.489 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.236 -8.350 4.115 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.671 -8.479 2.689 1.00 0.00 O ATOM 0 H GLU A 53 8.071 -4.531 6.596 1.00 0.00 H new ATOM 0 HA GLU A 53 6.518 -3.793 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.852 -5.895 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.761 -6.431 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.882 -6.454 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.928 -5.843 2.918 1.00 0.00 H new ATOM 882 N LEU A 54 4.143 -3.855 5.013 1.00 0.00 N ATOM 883 CA LEU A 54 2.788 -3.608 5.499 1.00 0.00 C ATOM 884 C LEU A 54 1.968 -4.892 5.502 1.00 0.00 C ATOM 885 O LEU A 54 1.005 -5.026 4.745 1.00 0.00 O ATOM 886 CB LEU A 54 2.104 -2.536 4.642 1.00 0.00 C ATOM 887 CG LEU A 54 2.851 -1.199 4.549 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.067 -0.222 3.684 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.061 -0.634 5.946 1.00 0.00 C ATOM 0 H LEU A 54 4.273 -3.677 4.017 1.00 0.00 H new ATOM 0 HA LEU A 54 2.853 -3.247 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.970 -2.930 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.109 -2.351 5.047 1.00 0.00 H new ATOM 0 HG LEU A 54 3.825 -1.359 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.605 0.724 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.949 -0.636 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.085 -0.053 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.592 0.316 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.094 -0.476 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.648 -1.336 6.538 1.00 0.00 H new ATOM 901 N ALA A 55 2.352 -5.834 6.357 1.00 0.00 N ATOM 902 CA ALA A 55 1.785 -7.176 6.321 1.00 0.00 C ATOM 903 C ALA A 55 0.608 -7.302 7.283 1.00 0.00 C ATOM 904 O ALA A 55 -0.256 -8.162 7.114 1.00 0.00 O ATOM 905 CB ALA A 55 2.852 -8.209 6.652 1.00 0.00 C ATOM 0 H ALA A 55 3.054 -5.692 7.083 1.00 0.00 H new ATOM 0 HA ALA A 55 1.417 -7.360 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.414 -9.207 6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.660 -8.144 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.248 -8.017 7.649 1.00 0.00 H new ATOM 911 N ASP A 56 0.583 -6.439 8.294 1.00 0.00 N ATOM 912 CA ASP A 56 -0.396 -6.549 9.367 1.00 0.00 C ATOM 913 C ASP A 56 -1.669 -5.779 9.025 1.00 0.00 C ATOM 914 O ASP A 56 -1.658 -4.551 8.944 1.00 0.00 O ATOM 915 CB ASP A 56 0.191 -6.040 10.687 1.00 0.00 C ATOM 916 CG ASP A 56 -0.732 -6.192 11.887 1.00 0.00 C ATOM 917 OD1 ASP A 56 -1.872 -6.545 11.695 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.254 -6.108 12.994 1.00 0.00 O ATOM 0 H ASP A 56 1.230 -5.656 8.392 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.652 -7.602 9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.119 -6.575 10.888 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.449 -4.987 10.574 1.00 0.00 H new ATOM 923 N ASP A 57 -2.760 -6.509 8.823 1.00 0.00 N ATOM 924 CA ASP A 57 -4.008 -5.908 8.366 1.00 0.00 C ATOM 925 C ASP A 57 -4.592 -4.990 9.435 1.00 0.00 C ATOM 926 O ASP A 57 -5.266 -4.008 9.121 1.00 0.00 O ATOM 927 CB ASP A 57 -5.020 -6.992 7.988 1.00 0.00 C ATOM 928 CG ASP A 57 -4.734 -7.688 6.665 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.956 -7.169 5.900 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.169 -8.802 6.496 1.00 0.00 O ATOM 0 H ASP A 57 -2.806 -7.518 8.968 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.791 -5.310 7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.045 -7.740 8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.013 -6.544 7.941 1.00 0.00 H new ATOM 935 N TYR A 58 -4.331 -5.316 10.696 1.00 0.00 N ATOM 936 CA TYR A 58 -4.996 -4.652 11.811 1.00 0.00 C ATOM 937 C TYR A 58 -4.141 -3.508 12.350 1.00 0.00 C ATOM 938 O TYR A 58 -4.602 -2.703 13.159 1.00 0.00 O ATOM 939 CB TYR A 58 -5.300 -5.653 12.928 1.00 0.00 C ATOM 940 CG TYR A 58 -6.273 -6.740 12.527 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.640 -6.509 12.535 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.820 -7.995 12.143 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.533 -7.499 12.171 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.704 -8.992 11.775 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.060 -8.739 11.791 1.00 0.00 C ATOM 946 OH TYR A 58 -8.945 -9.729 11.428 1.00 0.00 O ATOM 0 H TYR A 58 -3.663 -6.036 10.972 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.936 -4.238 11.445 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.368 -6.115 13.253 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.704 -5.115 13.785 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.013 -5.540 12.831 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.759 -8.196 12.132 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.595 -7.304 12.184 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.336 -9.962 11.477 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.449 -10.539 11.187 1.00 0.00 H new ATOM 956 N ARG A 59 -2.895 -3.444 11.893 1.00 0.00 N ATOM 957 CA ARG A 59 -2.003 -2.350 12.260 1.00 0.00 C ATOM 958 C ARG A 59 -2.278 -1.116 11.406 1.00 0.00 C ATOM 959 O ARG A 59 -2.400 -1.206 10.185 1.00 0.00 O ATOM 960 CB ARG A 59 -0.538 -2.757 12.200 1.00 0.00 C ATOM 961 CG ARG A 59 0.443 -1.682 12.642 1.00 0.00 C ATOM 962 CD ARG A 59 1.849 -2.145 12.753 1.00 0.00 C ATOM 963 NE ARG A 59 2.804 -1.098 13.079 1.00 0.00 N ATOM 964 CZ ARG A 59 4.127 -1.294 13.246 1.00 0.00 C ATOM 965 NH1 ARG A 59 4.651 -2.497 13.156 1.00 0.00 N ATOM 966 NH2 ARG A 59 4.883 -0.247 13.525 1.00 0.00 N ATOM 0 H ARG A 59 -2.480 -4.136 11.269 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.212 -2.095 13.299 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.395 -3.638 12.825 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.298 -3.049 11.178 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.400 -0.855 11.934 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.124 -1.291 13.608 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.904 -2.920 13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.142 -2.606 11.810 1.00 0.00 H new ATOM 0 HE ARG A 59 2.448 -0.149 13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.054 -3.300 12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.654 -2.627 13.285 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.462 0.678 13.609 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.888 -0.364 13.657 1.00 0.00 H new ATOM 980 N ASN A 60 -2.373 0.039 12.058 1.00 0.00 N ATOM 981 CA ASN A 60 -2.817 1.258 11.392 1.00 0.00 C ATOM 982 C ASN A 60 -1.683 1.882 10.585 1.00 0.00 C ATOM 983 O ASN A 60 -0.506 1.643 10.861 1.00 0.00 O ATOM 984 CB ASN A 60 -3.373 2.264 12.385 1.00 0.00 C ATOM 985 CG ASN A 60 -4.663 1.833 13.024 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.673 1.612 12.345 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.660 1.793 14.332 1.00 0.00 N ATOM 0 H ASN A 60 -2.149 0.156 13.046 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.619 0.981 10.708 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.632 2.439 13.165 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.530 3.215 11.876 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.518 1.572 14.837 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.800 1.983 14.846 1.00 0.00 H new ATOM 994 N LEU A 61 -2.043 2.682 9.588 1.00 0.00 N ATOM 995 CA LEU A 61 -1.058 3.412 8.799 1.00 0.00 C ATOM 996 C LEU A 61 -0.242 4.353 9.680 1.00 0.00 C ATOM 997 O LEU A 61 0.977 4.448 9.540 1.00 0.00 O ATOM 998 CB LEU A 61 -1.751 4.197 7.677 1.00 0.00 C ATOM 999 CG LEU A 61 -2.362 3.338 6.562 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.240 4.198 5.663 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.249 2.680 5.760 1.00 0.00 C ATOM 0 H LEU A 61 -3.010 2.842 9.307 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.376 2.689 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.539 4.809 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.027 4.880 7.233 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.985 2.559 7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.669 3.580 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.042 4.641 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.638 4.990 5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.683 2.070 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.615 3.449 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.651 2.049 6.417 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.923 5.043 10.590 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.248 5.851 11.599 1.00 0.00 C ATOM 1015 C ASN A 62 0.747 5.010 12.393 1.00 0.00 C ATOM 1016 O ASN A 62 1.880 5.430 12.630 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.241 6.517 12.533 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.612 7.489 13.492 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.396 8.134 13.181 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -1.152 7.537 14.683 1.00 0.00 N ATOM 0 H ASN A 62 -1.941 5.059 10.649 1.00 0.00 H new ATOM 0 HA ASN A 62 0.300 6.635 11.076 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.990 7.040 11.939 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.764 5.748 13.101 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.740 8.127 15.406 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.984 6.984 14.888 1.00 0.00 H new ATOM 1027 N GLU A 63 0.314 3.822 12.801 1.00 0.00 N ATOM 1028 CA GLU A 63 1.145 2.949 13.623 1.00 0.00 C ATOM 1029 C GLU A 63 2.367 2.469 12.846 1.00 0.00 C ATOM 1030 O GLU A 63 3.424 2.212 13.422 1.00 0.00 O ATOM 1031 CB GLU A 63 0.334 1.752 14.125 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.661 2.085 15.229 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.538 0.907 15.546 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.513 -0.046 14.805 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.149 0.911 16.589 1.00 0.00 O ATOM 0 H GLU A 63 -0.606 3.442 12.577 1.00 0.00 H new ATOM 0 HA GLU A 63 1.489 3.524 14.482 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.207 1.317 13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.022 0.990 14.491 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.123 2.393 16.126 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.279 2.929 14.922 1.00 0.00 H new ATOM 1042 N TYR A 64 2.213 2.348 11.531 1.00 0.00 N ATOM 1043 CA TYR A 64 3.308 1.914 10.671 1.00 0.00 C ATOM 1044 C TYR A 64 4.293 3.052 10.423 1.00 0.00 C ATOM 1045 O TYR A 64 5.438 2.825 10.036 1.00 0.00 O ATOM 1046 CB TYR A 64 2.768 1.385 9.340 1.00 0.00 C ATOM 1047 CG TYR A 64 2.616 -0.119 9.293 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.724 -0.948 9.383 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.366 -0.705 9.158 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.591 -2.323 9.341 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.221 -2.078 9.115 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.338 -2.884 9.207 1.00 0.00 C ATOM 1053 OH TYR A 64 2.201 -4.252 9.164 1.00 0.00 O ATOM 0 H TYR A 64 1.342 2.544 11.038 1.00 0.00 H new ATOM 0 HA TYR A 64 3.836 1.109 11.181 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.799 1.844 9.144 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.437 1.698 8.538 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.707 -0.512 9.488 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.491 -0.077 9.085 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.464 -2.955 9.413 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.240 -2.518 9.010 1.00 0.00 H new ATOM 0 HH TYR A 64 2.549 -4.642 9.993 1.00 0.00 H new ATOM 1063 N GLY A 65 3.836 4.280 10.650 1.00 0.00 N ATOM 1064 CA GLY A 65 4.651 5.443 10.349 1.00 0.00 C ATOM 1065 C GLY A 65 4.426 5.958 8.941 1.00 0.00 C ATOM 1066 O GLY A 65 5.328 6.536 8.334 1.00 0.00 O ATOM 0 H GLY A 65 2.916 4.490 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.426 6.235 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.703 5.189 10.476 1.00 0.00 H new ATOM 1070 N ILE A 66 3.221 5.748 8.420 1.00 0.00 N ATOM 1071 CA ILE A 66 2.904 6.132 7.051 1.00 0.00 C ATOM 1072 C ILE A 66 2.524 7.606 6.968 1.00 0.00 C ATOM 1073 O ILE A 66 1.528 8.037 7.549 1.00 0.00 O ATOM 1074 CB ILE A 66 1.757 5.282 6.476 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.115 3.794 6.532 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.442 5.704 5.050 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.351 3.435 5.740 1.00 0.00 C ATOM 0 H ILE A 66 2.449 5.314 8.926 1.00 0.00 H new ATOM 0 HA ILE A 66 3.803 5.957 6.459 1.00 0.00 H new ATOM 0 HB ILE A 66 0.867 5.445 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.264 3.504 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.273 3.213 6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.629 5.092 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.145 6.753 5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.327 5.571 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.541 2.365 5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.199 3.692 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.206 3.988 6.129 1.00 0.00 H new ATOM 1089 N THR A 67 3.325 8.378 6.237 1.00 0.00 N ATOM 1090 CA THR A 67 3.173 9.826 6.211 1.00 0.00 C ATOM 1091 C THR A 67 2.624 10.298 4.869 1.00 0.00 C ATOM 1092 O THR A 67 2.323 9.487 3.994 1.00 0.00 O ATOM 1093 CB THR A 67 4.510 10.539 6.487 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.404 10.326 5.387 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.145 10.006 7.762 1.00 0.00 C ATOM 0 H THR A 67 4.085 8.023 5.656 1.00 0.00 H new ATOM 0 HA THR A 67 2.466 10.082 7.000 1.00 0.00 H new ATOM 0 HB THR A 67 4.318 11.605 6.607 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.254 10.782 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.089 10.521 7.941 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.473 10.177 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.329 8.937 7.657 1.00 0.00 H new ATOM 1103 N GLU A 68 2.498 11.612 4.715 1.00 0.00 N ATOM 1104 CA GLU A 68 2.031 12.191 3.461 1.00 0.00 C ATOM 1105 C GLU A 68 3.029 11.932 2.335 1.00 0.00 C ATOM 1106 O GLU A 68 2.694 12.043 1.156 1.00 0.00 O ATOM 1107 CB GLU A 68 1.792 13.695 3.620 1.00 0.00 C ATOM 1108 CG GLU A 68 0.593 14.052 4.486 1.00 0.00 C ATOM 1109 CD GLU A 68 0.480 15.539 4.675 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.344 16.245 4.213 1.00 0.00 O ATOM 1111 OE2 GLU A 68 -0.524 15.979 5.183 1.00 0.00 O ATOM 0 H GLU A 68 2.712 12.295 5.442 1.00 0.00 H new ATOM 0 HA GLU A 68 1.088 11.712 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.684 14.149 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.656 14.135 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.318 13.672 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.685 13.566 5.457 1.00 0.00 H new ATOM 1118 N PHE A 69 4.256 11.587 2.710 1.00 0.00 N ATOM 1119 CA PHE A 69 5.319 11.365 1.735 1.00 0.00 C ATOM 1120 C PHE A 69 5.670 9.884 1.639 1.00 0.00 C ATOM 1121 O PHE A 69 6.720 9.517 1.112 1.00 0.00 O ATOM 1122 CB PHE A 69 6.560 12.181 2.101 1.00 0.00 C ATOM 1123 CG PHE A 69 6.317 13.662 2.160 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.276 14.420 0.999 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.127 14.301 3.377 1.00 0.00 C ATOM 1126 CE1 PHE A 69 6.054 15.782 1.051 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.902 15.663 3.431 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.866 16.404 2.269 1.00 0.00 C ATOM 0 H PHE A 69 4.539 11.455 3.681 1.00 0.00 H new ATOM 0 HA PHE A 69 4.958 11.694 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.932 11.845 3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.344 11.980 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.419 13.939 0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.155 13.727 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.027 16.360 0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.754 16.148 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.691 17.469 2.311 1.00 0.00 H new ATOM 1138 N SER A 70 4.783 9.037 2.153 1.00 0.00 N ATOM 1139 CA SER A 70 5.047 7.605 2.225 1.00 0.00 C ATOM 1140 C SER A 70 5.396 7.047 0.848 1.00 0.00 C ATOM 1141 O SER A 70 4.719 7.335 -0.138 1.00 0.00 O ATOM 1142 CB SER A 70 3.846 6.882 2.802 1.00 0.00 C ATOM 1143 OG SER A 70 4.022 5.491 2.810 1.00 0.00 O ATOM 0 H SER A 70 3.876 9.318 2.525 1.00 0.00 H new ATOM 0 HA SER A 70 5.903 7.445 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.668 7.230 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.959 7.131 2.220 1.00 0.00 H new ATOM 0 HG SER A 70 4.828 5.266 3.320 1.00 0.00 H new ATOM 1149 N GLU A 71 6.457 6.250 0.791 1.00 0.00 N ATOM 1150 CA GLU A 71 6.826 5.556 -0.437 1.00 0.00 C ATOM 1151 C GLU A 71 6.738 4.044 -0.255 1.00 0.00 C ATOM 1152 O GLU A 71 7.487 3.457 0.527 1.00 0.00 O ATOM 1153 CB GLU A 71 8.236 5.955 -0.876 1.00 0.00 C ATOM 1154 CG GLU A 71 8.391 7.426 -1.234 1.00 0.00 C ATOM 1155 CD GLU A 71 9.809 7.749 -1.615 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.681 7.553 -0.804 1.00 0.00 O ATOM 1157 OE2 GLU A 71 10.034 8.087 -2.754 1.00 0.00 O ATOM 0 H GLU A 71 7.077 6.068 1.581 1.00 0.00 H new ATOM 0 HA GLU A 71 6.121 5.849 -1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.935 5.713 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.519 5.352 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.725 7.673 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.090 8.042 -0.387 1.00 0.00 H new ATOM 1164 N ILE A 72 5.819 3.417 -0.983 1.00 0.00 N ATOM 1165 CA ILE A 72 5.591 1.984 -0.855 1.00 0.00 C ATOM 1166 C ILE A 72 5.851 1.267 -2.176 1.00 0.00 C ATOM 1167 O ILE A 72 5.551 1.792 -3.250 1.00 0.00 O ATOM 1168 CB ILE A 72 4.156 1.678 -0.388 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.139 2.244 -1.383 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.918 2.247 1.002 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.719 1.796 -1.124 1.00 0.00 C ATOM 0 H ILE A 72 5.221 3.880 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 72 6.291 1.620 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 72 4.028 0.596 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.179 3.333 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.426 1.946 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.899 2.022 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.622 1.800 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.062 3.327 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.057 2.237 -1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.663 0.709 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.412 2.118 -0.129 1.00 0.00 H new ATOM 1183 N VAL A 73 6.408 0.063 -2.091 1.00 0.00 N ATOM 1184 CA VAL A 73 6.647 -0.753 -3.275 1.00 0.00 C ATOM 1185 C VAL A 73 5.710 -1.954 -3.312 1.00 0.00 C ATOM 1186 O VAL A 73 5.582 -2.688 -2.333 1.00 0.00 O ATOM 1187 CB VAL A 73 8.104 -1.249 -3.334 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.321 -2.121 -4.561 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.067 -0.072 -3.342 1.00 0.00 C ATOM 0 H VAL A 73 6.702 -0.369 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 73 6.454 -0.118 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 73 8.299 -1.849 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.356 -2.462 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.655 -2.983 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.107 -1.543 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.092 -0.441 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.870 0.553 -4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.930 0.516 -2.435 1.00 0.00 H new ATOM 1199 N VAL A 74 5.054 -2.151 -4.452 1.00 0.00 N ATOM 1200 CA VAL A 74 4.017 -3.168 -4.573 1.00 0.00 C ATOM 1201 C VAL A 74 4.355 -4.171 -5.670 1.00 0.00 C ATOM 1202 O VAL A 74 4.755 -3.792 -6.771 1.00 0.00 O ATOM 1203 CB VAL A 74 2.641 -2.541 -4.869 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.566 -3.617 -4.927 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.292 -1.499 -3.818 1.00 0.00 C ATOM 0 H VAL A 74 5.223 -1.619 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 74 3.971 -3.685 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 74 2.690 -2.049 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.601 -3.156 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.807 -4.330 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.519 -4.137 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.317 -1.067 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.262 -1.969 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.047 -0.712 -3.821 1.00 0.00 H new ATOM 1215 N PHE A 75 4.192 -5.454 -5.362 1.00 0.00 N ATOM 1216 CA PHE A 75 4.571 -6.517 -6.285 1.00 0.00 C ATOM 1217 C PHE A 75 3.343 -7.275 -6.777 1.00 0.00 C ATOM 1218 O PHE A 75 2.444 -7.598 -5.997 1.00 0.00 O ATOM 1219 CB PHE A 75 5.556 -7.479 -5.617 1.00 0.00 C ATOM 1220 CG PHE A 75 6.814 -6.819 -5.132 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.907 -6.672 -5.973 1.00 0.00 C ATOM 1222 CD2 PHE A 75 6.907 -6.341 -3.833 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.066 -6.066 -5.527 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.065 -5.734 -3.385 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.144 -5.596 -4.232 1.00 0.00 C ATOM 0 H PHE A 75 3.800 -5.782 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 75 5.057 -6.059 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.062 -7.962 -4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.819 -8.265 -6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.852 -7.035 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.065 -6.444 -3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.911 -5.960 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.125 -5.368 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.049 -5.121 -3.883 1.00 0.00 H new