USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 899 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 89 GLN : amide:sc= -5.7 K(o=-6.3,f=0.83) USER MOD Set 1.2: A 91 SER OG : rot 103:sc= -0.595 USER MOD Set 2.1: A 42 SER OG : rot -89:sc= 0.452 USER MOD Set 2.2: A 95 GLN : amide:sc= -1.62! C(o=-1.2!,f=-2.2!) USER MOD Set 3.1: A 1 MET CE :methyl -144:sc= -0.0623 (180deg=-0.604) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -150:sc= -0.0137 (180deg=-0.321) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.105) USER MOD Single : A 9 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.15) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 47:sc= 1.08 USER MOD Single : A 25 GLN : amide:sc= -1.66 K(o=-1.7,f=-10!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -41:sc= 1.14 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 35 MET CE :methyl 152:sc=-0.00844 (180deg=-1.12) USER MOD Single : A 40 TYR OH : rot 180:sc=-0.000621 USER MOD Single : A 46 MET CE :methyl -120:sc= -0.0192 (180deg=-0.392) USER MOD Single : A 50 MET CE :methyl -121:sc= -0.307 (180deg=-1.53) USER MOD Single : A 51 TYR OH : rot -36:sc= -0.287 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 131:sc= -0.0803 (180deg=-0.844) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.829 USER MOD Single : A 84 LYS NZ :NH3+ -152:sc= -0.0489 (180deg=-0.481) USER MOD Single : A 87 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.6) USER MOD Single : A 96 TYR OH : rot -47:sc= -0.146 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 105 TYR OH : rot -174:sc= -0.0387 USER MOD Single : A 109 THR OG1 : rot 130:sc= 0.244 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -5.31 X(o=-5.3,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.383 -5.885 19.393 1.00 0.00 N ATOM 2 CA MET A 1 2.071 -6.147 18.098 1.00 0.00 C ATOM 3 C MET A 1 2.489 -4.820 17.464 1.00 0.00 C ATOM 4 O MET A 1 3.680 -4.569 17.264 1.00 0.00 O ATOM 5 CB MET A 1 1.124 -6.906 17.164 1.00 0.00 C ATOM 6 CG MET A 1 0.928 -8.330 17.686 1.00 0.00 C ATOM 7 SD MET A 1 0.007 -9.298 16.468 1.00 0.00 S ATOM 8 CE MET A 1 -1.599 -8.500 16.716 1.00 0.00 C ATOM 0 H1 MET A 1 1.250 -6.781 19.903 1.00 0.00 H new ATOM 0 H2 MET A 1 1.962 -5.241 19.969 1.00 0.00 H new ATOM 0 H3 MET A 1 0.456 -5.449 19.212 1.00 0.00 H new ATOM 0 HA MET A 1 2.961 -6.752 18.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.164 -6.393 17.106 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.534 -6.930 16.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.895 -8.794 17.879 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.389 -8.310 18.633 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.393 -9.240 16.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.638 -8.063 17.714 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.735 -7.716 15.971 1.00 0.00 H new ATOM 20 N ASP A 2 1.495 -3.967 17.158 1.00 0.00 N ATOM 21 CA ASP A 2 1.750 -2.652 16.546 1.00 0.00 C ATOM 22 C ASP A 2 2.397 -2.805 15.170 1.00 0.00 C ATOM 23 O ASP A 2 3.232 -3.690 14.960 1.00 0.00 O ATOM 24 CB ASP A 2 2.649 -1.795 17.459 1.00 0.00 C ATOM 25 CG ASP A 2 2.477 -0.307 17.144 1.00 0.00 C ATOM 26 OD1 ASP A 2 2.379 0.029 15.975 1.00 0.00 O ATOM 27 OD2 ASP A 2 2.445 0.474 18.081 1.00 0.00 O ATOM 0 H ASP A 2 0.508 -4.165 17.325 1.00 0.00 H new ATOM 0 HA ASP A 2 0.791 -2.149 16.422 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.399 -1.982 18.503 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.692 -2.082 17.324 1.00 0.00 H new ATOM 32 N PHE A 3 2.002 -1.932 14.237 1.00 0.00 N ATOM 33 CA PHE A 3 2.539 -1.956 12.874 1.00 0.00 C ATOM 34 C PHE A 3 3.451 -0.759 12.658 1.00 0.00 C ATOM 35 O PHE A 3 3.148 0.347 13.123 1.00 0.00 O ATOM 36 CB PHE A 3 1.396 -1.939 11.851 1.00 0.00 C ATOM 37 CG PHE A 3 0.562 -3.192 12.005 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.567 -3.180 12.834 1.00 0.00 C ATOM 39 CD2 PHE A 3 0.920 -4.363 11.328 1.00 0.00 C ATOM 40 CE1 PHE A 3 -1.337 -4.339 12.986 1.00 0.00 C ATOM 41 CE2 PHE A 3 0.149 -5.523 11.479 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.979 -5.509 12.308 1.00 0.00 C ATOM 0 H PHE A 3 1.312 -1.200 14.402 1.00 0.00 H new ATOM 0 HA PHE A 3 3.114 -2.872 12.738 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.775 -1.056 11.999 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.799 -1.880 10.840 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.844 -2.276 13.356 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.791 -4.373 10.689 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.207 -4.330 13.626 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.425 -6.427 10.956 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.574 -6.403 12.424 1.00 0.00 H new ATOM 52 N ARG A 4 4.595 -0.991 12.000 1.00 0.00 N ATOM 53 CA ARG A 4 5.577 0.073 11.787 1.00 0.00 C ATOM 54 C ARG A 4 6.208 0.002 10.402 1.00 0.00 C ATOM 55 O ARG A 4 6.615 -1.069 9.942 1.00 0.00 O ATOM 56 CB ARG A 4 6.668 -0.003 12.871 1.00 0.00 C ATOM 57 CG ARG A 4 7.476 1.322 12.931 1.00 0.00 C ATOM 58 CD ARG A 4 8.716 1.244 12.020 1.00 0.00 C ATOM 59 NE ARG A 4 9.598 0.137 12.442 1.00 0.00 N ATOM 60 CZ ARG A 4 10.504 0.251 13.447 1.00 0.00 C ATOM 61 NH1 ARG A 4 10.649 1.379 14.117 1.00 0.00 N ATOM 62 NH2 ARG A 4 11.248 -0.776 13.757 1.00 0.00 N ATOM 0 H ARG A 4 4.859 -1.896 11.611 1.00 0.00 H new ATOM 0 HA ARG A 4 5.054 1.027 11.856 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.211 -0.200 13.841 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.340 -0.835 12.660 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.843 2.154 12.622 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.784 1.520 13.958 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.406 1.096 10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.262 2.187 12.057 1.00 0.00 H new ATOM 0 HE ARG A 4 9.523 -0.756 11.955 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.074 2.188 13.884 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.336 1.441 14.868 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.145 -1.653 13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.932 -0.702 14.510 1.00 0.00 H new ATOM 76 N VAL A 5 6.330 1.173 9.765 1.00 0.00 N ATOM 77 CA VAL A 5 6.964 1.293 8.454 1.00 0.00 C ATOM 78 C VAL A 5 8.139 2.264 8.529 1.00 0.00 C ATOM 79 O VAL A 5 8.130 3.190 9.347 1.00 0.00 O ATOM 80 CB VAL A 5 5.948 1.776 7.394 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.849 0.726 7.222 1.00 0.00 C ATOM 82 CG2 VAL A 5 5.317 3.120 7.826 1.00 0.00 C ATOM 0 H VAL A 5 5.993 2.058 10.145 1.00 0.00 H new ATOM 0 HA VAL A 5 7.329 0.309 8.158 1.00 0.00 H new ATOM 0 HB VAL A 5 6.469 1.920 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.133 1.068 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.293 -0.215 6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.337 0.576 8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.604 3.447 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.802 2.991 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.100 3.871 7.936 1.00 0.00 H new ATOM 92 N VAL A 6 9.159 2.041 7.684 1.00 0.00 N ATOM 93 CA VAL A 6 10.352 2.903 7.683 1.00 0.00 C ATOM 94 C VAL A 6 10.754 3.315 6.264 1.00 0.00 C ATOM 95 O VAL A 6 10.393 2.651 5.282 1.00 0.00 O ATOM 96 CB VAL A 6 11.532 2.211 8.402 1.00 0.00 C ATOM 97 CG1 VAL A 6 11.159 1.941 9.861 1.00 0.00 C ATOM 98 CG2 VAL A 6 11.868 0.882 7.714 1.00 0.00 C ATOM 0 H VAL A 6 9.183 1.283 7.002 1.00 0.00 H new ATOM 0 HA VAL A 6 10.096 3.810 8.230 1.00 0.00 H new ATOM 0 HB VAL A 6 12.401 2.867 8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.993 1.453 10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.935 2.884 10.360 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.283 1.293 9.899 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.701 0.405 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.998 0.226 7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.144 1.069 6.676 1.00 0.00 H new ATOM 108 N GLY A 7 11.496 4.427 6.173 1.00 0.00 N ATOM 109 CA GLY A 7 11.952 4.964 4.888 1.00 0.00 C ATOM 110 C GLY A 7 13.498 5.062 4.820 1.00 0.00 C ATOM 111 O GLY A 7 14.026 6.124 4.480 1.00 0.00 O ATOM 0 H GLY A 7 11.794 4.974 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.592 4.327 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.518 5.952 4.732 1.00 0.00 H new ATOM 115 N PRO A 8 14.243 3.975 5.127 1.00 0.00 N ATOM 116 CA PRO A 8 15.748 3.992 5.072 1.00 0.00 C ATOM 117 C PRO A 8 16.285 4.041 3.629 1.00 0.00 C ATOM 118 O PRO A 8 17.490 4.202 3.415 1.00 0.00 O ATOM 119 CB PRO A 8 16.146 2.683 5.753 1.00 0.00 C ATOM 120 CG PRO A 8 15.001 1.763 5.507 1.00 0.00 C ATOM 121 CD PRO A 8 13.747 2.632 5.545 1.00 0.00 C ATOM 0 HA PRO A 8 16.162 4.878 5.554 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.070 2.285 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.315 2.828 6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.101 1.265 4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.958 0.982 6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.979 2.259 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.307 2.659 6.542 1.00 0.00 H new ATOM 129 N ASN A 9 15.383 3.856 2.650 1.00 0.00 N ATOM 130 CA ASN A 9 15.759 3.830 1.242 1.00 0.00 C ATOM 131 C ASN A 9 16.494 5.106 0.838 1.00 0.00 C ATOM 132 O ASN A 9 16.104 6.213 1.216 1.00 0.00 O ATOM 133 CB ASN A 9 14.510 3.654 0.378 1.00 0.00 C ATOM 134 CG ASN A 9 13.827 2.332 0.714 1.00 0.00 C ATOM 135 OD1 ASN A 9 14.470 1.282 0.713 1.00 0.00 O ATOM 136 ND2 ASN A 9 12.555 2.321 1.015 1.00 0.00 N ATOM 0 H ASN A 9 14.386 3.722 2.818 1.00 0.00 H new ATOM 0 HA ASN A 9 16.435 2.989 1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.821 4.482 0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.782 3.675 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.094 1.442 1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.023 3.192 1.015 1.00 0.00 H new ATOM 143 N LEU A 10 17.546 4.925 0.043 1.00 0.00 N ATOM 144 CA LEU A 10 18.356 6.029 -0.462 1.00 0.00 C ATOM 145 C LEU A 10 17.615 6.764 -1.591 1.00 0.00 C ATOM 146 O LEU A 10 16.699 6.191 -2.190 1.00 0.00 O ATOM 147 CB LEU A 10 19.712 5.512 -0.974 1.00 0.00 C ATOM 148 CG LEU A 10 20.553 4.964 0.197 1.00 0.00 C ATOM 149 CD1 LEU A 10 21.769 4.220 -0.358 1.00 0.00 C ATOM 150 CD2 LEU A 10 21.045 6.126 1.079 1.00 0.00 C ATOM 0 H LEU A 10 17.861 4.006 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 10 18.533 6.727 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 10 19.554 4.728 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 10 20.251 6.318 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 10 19.937 4.289 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.366 3.831 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.435 3.393 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 10 22.374 4.904 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 21.638 5.731 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 10 21.658 6.802 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.188 6.669 1.476 1.00 0.00 H new ATOM 162 N PRO A 11 17.960 8.036 -1.887 1.00 0.00 N ATOM 163 CA PRO A 11 17.253 8.815 -2.951 1.00 0.00 C ATOM 164 C PRO A 11 17.156 8.030 -4.265 1.00 0.00 C ATOM 165 O PRO A 11 18.160 7.516 -4.767 1.00 0.00 O ATOM 166 CB PRO A 11 18.141 10.051 -3.128 1.00 0.00 C ATOM 167 CG PRO A 11 18.771 10.251 -1.793 1.00 0.00 C ATOM 168 CD PRO A 11 19.040 8.853 -1.253 1.00 0.00 C ATOM 0 HA PRO A 11 16.224 9.050 -2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.892 9.893 -3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.556 10.921 -3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.695 10.823 -1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.111 10.808 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 11 20.032 8.497 -1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.984 8.823 -0.165 1.00 0.00 H new ATOM 176 N ILE A 12 15.934 7.953 -4.818 1.00 0.00 N ATOM 177 CA ILE A 12 15.693 7.244 -6.080 1.00 0.00 C ATOM 178 C ILE A 12 15.656 8.258 -7.223 1.00 0.00 C ATOM 179 O ILE A 12 14.878 9.217 -7.176 1.00 0.00 O ATOM 180 CB ILE A 12 14.333 6.490 -6.010 1.00 0.00 C ATOM 181 CG1 ILE A 12 14.268 5.537 -4.759 1.00 0.00 C ATOM 182 CG2 ILE A 12 14.083 5.690 -7.306 1.00 0.00 C ATOM 183 CD1 ILE A 12 15.380 4.456 -4.787 1.00 0.00 C ATOM 0 H ILE A 12 15.100 8.374 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 12 16.492 6.523 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 12 13.548 7.239 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 12 14.362 6.129 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.293 5.052 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.127 5.171 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.063 6.372 -8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.882 4.961 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.294 3.823 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.271 3.845 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.357 4.939 -4.794 1.00 0.00 H new ATOM 195 N LEU A 13 16.523 8.066 -8.234 1.00 0.00 N ATOM 196 CA LEU A 13 16.596 9.005 -9.359 1.00 0.00 C ATOM 197 C LEU A 13 16.036 8.406 -10.655 1.00 0.00 C ATOM 198 O LEU A 13 16.690 7.591 -11.311 1.00 0.00 O ATOM 199 CB LEU A 13 18.064 9.472 -9.583 1.00 0.00 C ATOM 200 CG LEU A 13 18.314 10.844 -8.914 1.00 0.00 C ATOM 201 CD1 LEU A 13 18.376 10.679 -7.393 1.00 0.00 C ATOM 202 CD2 LEU A 13 19.640 11.424 -9.418 1.00 0.00 C ATOM 0 H LEU A 13 17.172 7.281 -8.292 1.00 0.00 H new ATOM 0 HA LEU A 13 15.976 9.863 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.752 8.732 -9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 13 18.269 9.541 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 13 17.498 11.520 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 13 18.552 11.649 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 13 17.432 10.270 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.188 10.000 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 13 19.817 12.391 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 13 20.454 10.744 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.594 11.550 -10.500 1.00 0.00 H new ATOM 214 N ALA A 14 14.870 8.912 -11.057 1.00 0.00 N ATOM 215 CA ALA A 14 14.246 8.549 -12.323 1.00 0.00 C ATOM 216 C ALA A 14 14.337 9.747 -13.278 1.00 0.00 C ATOM 217 O ALA A 14 14.944 10.764 -12.935 1.00 0.00 O ATOM 218 CB ALA A 14 12.780 8.156 -12.103 1.00 0.00 C ATOM 0 H ALA A 14 14.333 9.586 -10.511 1.00 0.00 H new ATOM 0 HA ALA A 14 14.765 7.693 -12.755 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.328 7.888 -13.058 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.730 7.304 -11.425 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.239 8.997 -11.669 1.00 0.00 H new ATOM 224 N LYS A 15 13.736 9.631 -14.471 1.00 0.00 N ATOM 225 CA LYS A 15 13.760 10.730 -15.452 1.00 0.00 C ATOM 226 C LYS A 15 12.347 11.104 -15.888 1.00 0.00 C ATOM 227 O LYS A 15 11.472 10.241 -15.979 1.00 0.00 O ATOM 228 CB LYS A 15 14.593 10.338 -16.672 1.00 0.00 C ATOM 229 CG LYS A 15 16.053 10.147 -16.256 1.00 0.00 C ATOM 230 CD LYS A 15 16.883 9.766 -17.482 1.00 0.00 C ATOM 231 CE LYS A 15 18.343 9.577 -17.072 1.00 0.00 C ATOM 232 NZ LYS A 15 19.148 9.201 -18.267 1.00 0.00 N ATOM 0 H LYS A 15 13.233 8.799 -14.779 1.00 0.00 H new ATOM 0 HA LYS A 15 14.215 11.597 -14.973 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.205 9.418 -17.109 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.520 11.110 -17.438 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.439 11.064 -15.812 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.128 9.369 -15.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.497 8.848 -17.924 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.806 10.543 -18.242 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.731 10.496 -16.633 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.421 8.802 -16.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.142 9.072 -17.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.782 8.313 -18.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.083 9.955 -18.981 1.00 0.00 H new ATOM 246 N VAL A 16 12.130 12.405 -16.148 1.00 0.00 N ATOM 247 CA VAL A 16 10.813 12.891 -16.573 1.00 0.00 C ATOM 248 C VAL A 16 10.353 12.135 -17.832 1.00 0.00 C ATOM 249 O VAL A 16 11.107 12.008 -18.801 1.00 0.00 O ATOM 250 CB VAL A 16 10.851 14.423 -16.817 1.00 0.00 C ATOM 251 CG1 VAL A 16 11.875 14.764 -17.907 1.00 0.00 C ATOM 252 CG2 VAL A 16 9.459 14.932 -17.247 1.00 0.00 C ATOM 0 H VAL A 16 12.844 13.130 -16.071 1.00 0.00 H new ATOM 0 HA VAL A 16 10.091 12.700 -15.779 1.00 0.00 H new ATOM 0 HB VAL A 16 11.141 14.910 -15.886 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.890 15.842 -18.067 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.864 14.429 -17.594 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.599 14.263 -18.835 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.501 16.008 -17.415 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.158 14.433 -18.168 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.734 14.715 -16.463 1.00 0.00 H new ATOM 262 N GLY A 17 9.131 11.606 -17.779 1.00 0.00 N ATOM 263 CA GLY A 17 8.573 10.812 -18.884 1.00 0.00 C ATOM 264 C GLY A 17 8.874 9.307 -18.702 1.00 0.00 C ATOM 265 O GLY A 17 8.227 8.459 -19.320 1.00 0.00 O ATOM 0 H GLY A 17 8.503 11.711 -16.982 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.495 10.966 -18.937 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.991 11.157 -19.830 1.00 0.00 H new ATOM 269 N GLU A 18 9.835 8.997 -17.813 1.00 0.00 N ATOM 270 CA GLU A 18 10.200 7.622 -17.495 1.00 0.00 C ATOM 271 C GLU A 18 9.513 7.202 -16.196 1.00 0.00 C ATOM 272 O GLU A 18 9.219 8.049 -15.343 1.00 0.00 O ATOM 273 CB GLU A 18 11.733 7.496 -17.363 1.00 0.00 C ATOM 274 CG GLU A 18 12.140 6.020 -17.130 1.00 0.00 C ATOM 275 CD GLU A 18 11.744 5.130 -18.328 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.591 5.655 -19.426 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.600 3.936 -18.123 1.00 0.00 O ATOM 0 H GLU A 18 10.373 9.696 -17.301 1.00 0.00 H new ATOM 0 HA GLU A 18 9.871 6.964 -18.299 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.213 7.873 -18.266 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.084 8.111 -16.534 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.216 5.959 -16.970 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.661 5.648 -16.224 1.00 0.00 H new ATOM 284 N ASP A 19 9.246 5.904 -16.060 1.00 0.00 N ATOM 285 CA ASP A 19 8.574 5.381 -14.873 1.00 0.00 C ATOM 286 C ASP A 19 9.530 5.353 -13.680 1.00 0.00 C ATOM 287 O ASP A 19 10.745 5.213 -13.849 1.00 0.00 O ATOM 288 CB ASP A 19 8.048 3.961 -15.166 1.00 0.00 C ATOM 289 CG ASP A 19 9.194 2.996 -15.552 1.00 0.00 C ATOM 290 OD1 ASP A 19 10.348 3.418 -15.573 1.00 0.00 O ATOM 291 OD2 ASP A 19 8.893 1.844 -15.821 1.00 0.00 O ATOM 0 H ASP A 19 9.484 5.197 -16.756 1.00 0.00 H new ATOM 0 HA ASP A 19 7.738 6.034 -14.623 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.529 3.577 -14.288 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.319 4.003 -15.975 1.00 0.00 H new ATOM 296 N ALA A 20 8.969 5.508 -12.471 1.00 0.00 N ATOM 297 CA ALA A 20 9.766 5.525 -11.237 1.00 0.00 C ATOM 298 C ALA A 20 9.242 4.500 -10.243 1.00 0.00 C ATOM 299 O ALA A 20 8.109 4.025 -10.373 1.00 0.00 O ATOM 300 CB ALA A 20 9.745 6.919 -10.608 1.00 0.00 C ATOM 0 H ALA A 20 7.966 5.623 -12.323 1.00 0.00 H new ATOM 0 HA ALA A 20 10.794 5.267 -11.493 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.340 6.915 -9.695 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.162 7.641 -11.310 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.718 7.196 -10.371 1.00 0.00 H new ATOM 306 N LEU A 21 10.093 4.122 -9.276 1.00 0.00 N ATOM 307 CA LEU A 21 9.723 3.094 -8.291 1.00 0.00 C ATOM 308 C LEU A 21 9.621 3.663 -6.876 1.00 0.00 C ATOM 309 O LEU A 21 10.623 4.053 -6.276 1.00 0.00 O ATOM 310 CB LEU A 21 10.768 1.943 -8.308 1.00 0.00 C ATOM 311 CG LEU A 21 10.504 0.910 -9.457 1.00 0.00 C ATOM 312 CD1 LEU A 21 9.150 0.214 -9.271 1.00 0.00 C ATOM 313 CD2 LEU A 21 10.554 1.599 -10.840 1.00 0.00 C ATOM 0 H LEU A 21 11.030 4.507 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 21 8.741 2.715 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.766 2.365 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.751 1.427 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 21 11.292 0.158 -9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.992 -0.497 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.140 -0.314 -8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.354 0.958 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.368 0.862 -11.621 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.792 2.377 -10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.537 2.045 -10.989 1.00 0.00 H new ATOM 325 N LEU A 22 8.406 3.618 -6.328 1.00 0.00 N ATOM 326 CA LEU A 22 8.138 4.044 -4.952 1.00 0.00 C ATOM 327 C LEU A 22 8.235 2.839 -4.034 1.00 0.00 C ATOM 328 O LEU A 22 7.492 1.886 -4.217 1.00 0.00 O ATOM 329 CB LEU A 22 6.709 4.604 -4.866 1.00 0.00 C ATOM 330 CG LEU A 22 6.596 5.920 -5.643 1.00 0.00 C ATOM 331 CD1 LEU A 22 5.120 6.283 -5.815 1.00 0.00 C ATOM 332 CD2 LEU A 22 7.286 7.032 -4.857 1.00 0.00 C ATOM 0 H LEU A 22 7.579 3.285 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 22 8.860 4.806 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.003 3.877 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.439 4.767 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 22 7.067 5.805 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.037 7.219 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.612 5.491 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.657 6.398 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.207 7.969 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.807 7.141 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.337 6.780 -4.717 1.00 0.00 H new ATOM 344 N THR A 23 9.162 2.862 -3.052 1.00 0.00 N ATOM 345 CA THR A 23 9.321 1.695 -2.155 1.00 0.00 C ATOM 346 C THR A 23 9.479 2.077 -0.678 1.00 0.00 C ATOM 347 O THR A 23 10.040 3.117 -0.342 1.00 0.00 O ATOM 348 CB THR A 23 10.508 0.828 -2.614 1.00 0.00 C ATOM 349 OG1 THR A 23 10.610 -0.313 -1.774 1.00 0.00 O ATOM 350 CG2 THR A 23 11.813 1.635 -2.552 1.00 0.00 C ATOM 0 H THR A 23 9.790 3.643 -2.863 1.00 0.00 H new ATOM 0 HA THR A 23 8.396 1.123 -2.226 1.00 0.00 H new ATOM 0 HB THR A 23 10.341 0.512 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.724 -0.716 -1.661 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.644 1.009 -2.879 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.734 2.504 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.989 1.965 -1.528 1.00 0.00 H new ATOM 358 N CYS A 24 8.994 1.179 0.190 1.00 0.00 N ATOM 359 CA CYS A 24 9.073 1.344 1.642 1.00 0.00 C ATOM 360 C CYS A 24 9.096 -0.027 2.323 1.00 0.00 C ATOM 361 O CYS A 24 8.912 -1.053 1.659 1.00 0.00 O ATOM 362 CB CYS A 24 7.891 2.172 2.158 1.00 0.00 C ATOM 363 SG CYS A 24 6.330 1.297 1.844 1.00 0.00 S ATOM 0 H CYS A 24 8.535 0.315 -0.099 1.00 0.00 H new ATOM 0 HA CYS A 24 9.994 1.876 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.005 2.356 3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.877 3.145 1.667 1.00 0.00 H new ATOM 368 N GLN A 25 9.350 -0.045 3.642 1.00 0.00 N ATOM 369 CA GLN A 25 9.425 -1.305 4.394 1.00 0.00 C ATOM 370 C GLN A 25 8.288 -1.395 5.400 1.00 0.00 C ATOM 371 O GLN A 25 8.190 -0.567 6.297 1.00 0.00 O ATOM 372 CB GLN A 25 10.761 -1.385 5.134 1.00 0.00 C ATOM 373 CG GLN A 25 11.904 -1.533 4.125 1.00 0.00 C ATOM 374 CD GLN A 25 13.259 -1.410 4.828 1.00 0.00 C ATOM 375 OE1 GLN A 25 13.394 -0.672 5.806 1.00 0.00 O ATOM 376 NE2 GLN A 25 14.276 -2.101 4.386 1.00 0.00 N ATOM 0 H GLN A 25 9.505 0.792 4.204 1.00 0.00 H new ATOM 0 HA GLN A 25 9.342 -2.133 3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.908 -0.488 5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.757 -2.232 5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.833 -2.499 3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.817 -0.768 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.164 -2.712 3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.181 -2.030 4.850 1.00 0.00 H new ATOM 385 N LEU A 26 7.434 -2.410 5.240 1.00 0.00 N ATOM 386 CA LEU A 26 6.291 -2.622 6.142 1.00 0.00 C ATOM 387 C LEU A 26 6.180 -4.086 6.568 1.00 0.00 C ATOM 388 O LEU A 26 6.642 -4.982 5.857 1.00 0.00 O ATOM 389 CB LEU A 26 4.982 -2.134 5.485 1.00 0.00 C ATOM 390 CG LEU A 26 4.748 -2.834 4.119 1.00 0.00 C ATOM 391 CD1 LEU A 26 4.025 -4.179 4.326 1.00 0.00 C ATOM 392 CD2 LEU A 26 3.886 -1.928 3.216 1.00 0.00 C ATOM 0 H LEU A 26 7.510 -3.101 4.493 1.00 0.00 H new ATOM 0 HA LEU A 26 6.461 -2.032 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.141 -2.335 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.024 -1.054 5.342 1.00 0.00 H new ATOM 0 HG LEU A 26 5.714 -3.016 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.867 -4.660 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.634 -4.826 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.062 -4.004 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.722 -2.420 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.926 -1.742 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.400 -0.981 3.054 1.00 0.00 H new ATOM 404 N LEU A 27 5.593 -4.321 7.753 1.00 0.00 N ATOM 405 CA LEU A 27 5.439 -5.685 8.281 1.00 0.00 C ATOM 406 C LEU A 27 3.945 -6.023 8.553 1.00 0.00 C ATOM 407 O LEU A 27 3.409 -5.614 9.587 1.00 0.00 O ATOM 408 CB LEU A 27 6.242 -5.836 9.591 1.00 0.00 C ATOM 409 CG LEU A 27 7.743 -5.572 9.341 1.00 0.00 C ATOM 410 CD1 LEU A 27 8.470 -5.471 10.683 1.00 0.00 C ATOM 411 CD2 LEU A 27 8.355 -6.729 8.532 1.00 0.00 C ATOM 0 H LEU A 27 5.220 -3.590 8.359 1.00 0.00 H new ATOM 0 HA LEU A 27 5.818 -6.378 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.864 -5.138 10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.106 -6.840 9.994 1.00 0.00 H new ATOM 0 HG LEU A 27 7.850 -4.642 8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.530 -5.285 10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.048 -4.651 11.265 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.351 -6.405 11.232 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.414 -6.533 8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.243 -7.660 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.842 -6.814 7.574 1.00 0.00 H new ATOM 423 N PRO A 28 3.264 -6.804 7.671 1.00 0.00 N ATOM 424 CA PRO A 28 1.837 -7.213 7.900 1.00 0.00 C ATOM 425 C PRO A 28 1.740 -8.356 8.909 1.00 0.00 C ATOM 426 O PRO A 28 2.696 -9.127 9.069 1.00 0.00 O ATOM 427 CB PRO A 28 1.381 -7.678 6.520 1.00 0.00 C ATOM 428 CG PRO A 28 2.612 -8.238 5.893 1.00 0.00 C ATOM 429 CD PRO A 28 3.771 -7.366 6.381 1.00 0.00 C ATOM 0 HA PRO A 28 1.229 -6.406 8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.595 -8.430 6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.978 -6.851 5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.758 -9.279 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.540 -8.217 4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.679 -7.950 6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.010 -6.579 5.666 1.00 0.00 H new ATOM 437 N LYS A 29 0.578 -8.482 9.569 1.00 0.00 N ATOM 438 CA LYS A 29 0.369 -9.567 10.536 1.00 0.00 C ATOM 439 C LYS A 29 0.505 -10.915 9.825 1.00 0.00 C ATOM 440 O LYS A 29 1.296 -11.771 10.225 1.00 0.00 O ATOM 441 CB LYS A 29 -1.047 -9.430 11.165 1.00 0.00 C ATOM 442 CG LYS A 29 -1.338 -10.584 12.152 1.00 0.00 C ATOM 443 CD LYS A 29 -0.465 -10.446 13.396 1.00 0.00 C ATOM 444 CE LYS A 29 -0.713 -11.637 14.319 1.00 0.00 C ATOM 445 NZ LYS A 29 -2.105 -11.576 14.848 1.00 0.00 N ATOM 0 H LYS A 29 -0.219 -7.856 9.453 1.00 0.00 H new ATOM 0 HA LYS A 29 1.116 -9.508 11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.125 -8.475 11.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.799 -9.425 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.391 -10.574 12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.147 -11.542 11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.587 -10.403 13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.695 -9.515 13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.560 -12.569 13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.001 -11.627 15.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.137 -12.013 15.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.407 -10.583 14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.743 -12.089 14.207 1.00 0.00 H new ATOM 459 N ARG A 30 -0.216 -11.037 8.721 1.00 0.00 N ATOM 460 CA ARG A 30 -0.160 -12.207 7.850 1.00 0.00 C ATOM 461 C ARG A 30 -1.122 -11.999 6.692 1.00 0.00 C ATOM 462 O ARG A 30 -2.298 -11.700 6.914 1.00 0.00 O ATOM 463 CB ARG A 30 -0.513 -13.509 8.624 1.00 0.00 C ATOM 464 CG ARG A 30 -1.967 -13.447 9.187 1.00 0.00 C ATOM 465 CD ARG A 30 -2.919 -14.277 8.305 1.00 0.00 C ATOM 466 NE ARG A 30 -4.290 -14.247 8.853 1.00 0.00 N ATOM 467 CZ ARG A 30 -5.333 -14.906 8.282 1.00 0.00 C ATOM 468 NH1 ARG A 30 -5.174 -15.622 7.184 1.00 0.00 N ATOM 469 NH2 ARG A 30 -6.516 -14.831 8.829 1.00 0.00 N ATOM 0 H ARG A 30 -0.865 -10.319 8.399 1.00 0.00 H new ATOM 0 HA ARG A 30 0.857 -12.322 7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.412 -14.369 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.192 -13.652 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.985 -13.826 10.209 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.306 -12.412 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.919 -13.883 7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.566 -15.307 8.248 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.463 -13.706 9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.255 -15.689 6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.971 -16.108 6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.652 -14.281 9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.305 -15.322 8.408 1.00 0.00 H new ATOM 483 N THR A 31 -0.624 -12.166 5.473 1.00 0.00 N ATOM 484 CA THR A 31 -1.438 -11.976 4.262 1.00 0.00 C ATOM 485 C THR A 31 -1.994 -10.545 4.192 1.00 0.00 C ATOM 486 O THR A 31 -2.430 -9.984 5.200 1.00 0.00 O ATOM 487 CB THR A 31 -2.591 -12.988 4.224 1.00 0.00 C ATOM 488 OG1 THR A 31 -2.097 -14.282 4.545 1.00 0.00 O ATOM 489 CG2 THR A 31 -3.212 -13.008 2.827 1.00 0.00 C ATOM 0 H THR A 31 0.343 -12.434 5.289 1.00 0.00 H new ATOM 0 HA THR A 31 -0.795 -12.140 3.397 1.00 0.00 H new ATOM 0 HB THR A 31 -3.350 -12.699 4.951 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.833 -14.928 4.522 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.030 -13.727 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.593 -12.016 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.455 -13.295 2.097 1.00 0.00 H new ATOM 497 N THR A 32 -1.977 -9.962 2.993 1.00 0.00 N ATOM 498 CA THR A 32 -2.487 -8.593 2.795 1.00 0.00 C ATOM 499 C THR A 32 -3.995 -8.594 2.469 1.00 0.00 C ATOM 500 O THR A 32 -4.490 -7.718 1.740 1.00 0.00 O ATOM 501 CB THR A 32 -1.684 -7.870 1.695 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.197 -6.555 1.524 1.00 0.00 O ATOM 503 CG2 THR A 32 -1.783 -8.637 0.368 1.00 0.00 C ATOM 0 H THR A 32 -1.620 -10.407 2.147 1.00 0.00 H new ATOM 0 HA THR A 32 -2.356 -8.048 3.730 1.00 0.00 H new ATOM 0 HB THR A 32 -0.637 -7.822 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.176 -6.578 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.211 -8.114 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.381 -9.642 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.827 -8.700 0.061 1.00 0.00 H new ATOM 511 N ALA A 33 -4.715 -9.588 3.024 1.00 0.00 N ATOM 512 CA ALA A 33 -6.160 -9.709 2.820 1.00 0.00 C ATOM 513 C ALA A 33 -6.913 -8.534 3.446 1.00 0.00 C ATOM 514 O ALA A 33 -7.876 -8.023 2.868 1.00 0.00 O ATOM 515 CB ALA A 33 -6.667 -11.024 3.417 1.00 0.00 C ATOM 0 H ALA A 33 -4.314 -10.315 3.616 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.347 -9.699 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.743 -11.104 3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.166 -11.861 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.454 -11.044 4.486 1.00 0.00 H new ATOM 521 N HIS A 34 -6.483 -8.130 4.649 1.00 0.00 N ATOM 522 CA HIS A 34 -7.135 -7.021 5.377 1.00 0.00 C ATOM 523 C HIS A 34 -6.185 -5.829 5.587 1.00 0.00 C ATOM 524 O HIS A 34 -6.454 -4.957 6.420 1.00 0.00 O ATOM 525 CB HIS A 34 -7.660 -7.505 6.739 1.00 0.00 C ATOM 526 CG HIS A 34 -8.686 -8.594 6.536 1.00 0.00 C ATOM 527 ND1 HIS A 34 -9.943 -8.337 6.010 1.00 0.00 N ATOM 528 CD2 HIS A 34 -8.653 -9.942 6.786 1.00 0.00 C ATOM 529 CE1 HIS A 34 -10.608 -9.506 5.959 1.00 0.00 C ATOM 530 NE2 HIS A 34 -9.867 -10.517 6.420 1.00 0.00 N ATOM 0 H HIS A 34 -5.693 -8.548 5.140 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.969 -6.684 4.761 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.835 -7.879 7.345 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.104 -6.672 7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.813 -10.477 7.204 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.617 -9.613 5.590 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.133 -11.499 6.489 1.00 0.00 H new ATOM 538 N MET A 35 -5.075 -5.800 4.834 1.00 0.00 N ATOM 539 CA MET A 35 -4.086 -4.722 4.950 1.00 0.00 C ATOM 540 C MET A 35 -4.269 -3.714 3.827 1.00 0.00 C ATOM 541 O MET A 35 -4.718 -4.073 2.727 1.00 0.00 O ATOM 542 CB MET A 35 -2.651 -5.293 4.918 1.00 0.00 C ATOM 543 CG MET A 35 -2.465 -6.355 6.029 1.00 0.00 C ATOM 544 SD MET A 35 -2.736 -5.613 7.664 1.00 0.00 S ATOM 545 CE MET A 35 -2.653 -7.143 8.626 1.00 0.00 C ATOM 0 H MET A 35 -4.842 -6.510 4.140 1.00 0.00 H new ATOM 0 HA MET A 35 -4.239 -4.220 5.905 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.452 -5.739 3.943 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.930 -4.487 5.053 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.163 -7.178 5.875 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.461 -6.775 5.975 1.00 0.00 H new ATOM 0 HE1 MET A 35 -2.302 -6.921 9.634 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.644 -7.594 8.678 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.963 -7.837 8.147 1.00 0.00 H new ATOM 555 N GLU A 36 -3.959 -2.443 4.123 1.00 0.00 N ATOM 556 CA GLU A 36 -4.120 -1.366 3.150 1.00 0.00 C ATOM 557 C GLU A 36 -2.886 -0.460 3.136 1.00 0.00 C ATOM 558 O GLU A 36 -2.386 -0.069 4.196 1.00 0.00 O ATOM 559 CB GLU A 36 -5.372 -0.555 3.494 1.00 0.00 C ATOM 560 CG GLU A 36 -5.728 0.371 2.328 1.00 0.00 C ATOM 561 CD GLU A 36 -4.846 1.618 2.335 1.00 0.00 C ATOM 562 OE1 GLU A 36 -4.481 2.075 3.412 1.00 0.00 O ATOM 563 OE2 GLU A 36 -4.540 2.090 1.264 1.00 0.00 O ATOM 0 H GLU A 36 -3.597 -2.142 5.028 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.231 -1.799 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.205 -1.226 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.200 0.032 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.605 -0.161 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.776 0.662 2.396 1.00 0.00 H new ATOM 570 N VAL A 37 -2.376 -0.157 1.926 1.00 0.00 N ATOM 571 CA VAL A 37 -1.164 0.673 1.782 1.00 0.00 C ATOM 572 C VAL A 37 -1.426 1.878 0.858 1.00 0.00 C ATOM 573 O VAL A 37 -1.984 1.726 -0.231 1.00 0.00 O ATOM 574 CB VAL A 37 0.018 -0.185 1.245 1.00 0.00 C ATOM 575 CG1 VAL A 37 1.292 0.670 1.112 1.00 0.00 C ATOM 576 CG2 VAL A 37 0.296 -1.348 2.211 1.00 0.00 C ATOM 0 H VAL A 37 -2.779 -0.471 1.043 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.895 1.058 2.766 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.257 -0.572 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.107 0.052 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.109 1.491 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.563 1.073 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.124 -1.946 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.555 -0.952 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.594 -1.972 2.295 1.00 0.00 H new ATOM 586 N ARG A 38 -1.001 3.073 1.311 1.00 0.00 N ATOM 587 CA ARG A 38 -1.173 4.304 0.526 1.00 0.00 C ATOM 588 C ARG A 38 0.169 4.989 0.267 1.00 0.00 C ATOM 589 O ARG A 38 1.027 5.054 1.152 1.00 0.00 O ATOM 590 CB ARG A 38 -2.090 5.293 1.262 1.00 0.00 C ATOM 591 CG ARG A 38 -3.479 4.690 1.434 1.00 0.00 C ATOM 592 CD ARG A 38 -4.427 5.738 2.020 1.00 0.00 C ATOM 593 NE ARG A 38 -5.773 5.163 2.206 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.844 5.893 2.616 1.00 0.00 C ATOM 595 NH1 ARG A 38 -6.736 7.182 2.879 1.00 0.00 N ATOM 596 NH2 ARG A 38 -8.001 5.307 2.752 1.00 0.00 N ATOM 0 H ARG A 38 -0.540 3.209 2.210 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.622 4.017 -0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.667 5.536 2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.157 6.225 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.856 4.341 0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.430 3.822 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.041 6.094 2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.481 6.601 1.356 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.906 4.169 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.836 7.650 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.553 7.710 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.095 4.311 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.812 5.844 3.059 1.00 0.00 H new ATOM 610 N TRP A 39 0.307 5.560 -0.935 1.00 0.00 N ATOM 611 CA TRP A 39 1.502 6.321 -1.308 1.00 0.00 C ATOM 612 C TRP A 39 1.099 7.759 -1.626 1.00 0.00 C ATOM 613 O TRP A 39 0.054 7.990 -2.244 1.00 0.00 O ATOM 614 CB TRP A 39 2.179 5.695 -2.535 1.00 0.00 C ATOM 615 CG TRP A 39 2.742 4.348 -2.188 1.00 0.00 C ATOM 616 CD1 TRP A 39 4.023 4.107 -1.800 1.00 0.00 C ATOM 617 CD2 TRP A 39 2.071 3.056 -2.199 1.00 0.00 C ATOM 618 NE1 TRP A 39 4.170 2.750 -1.576 1.00 0.00 N ATOM 619 CE2 TRP A 39 2.997 2.061 -1.806 1.00 0.00 C ATOM 620 CE3 TRP A 39 0.759 2.655 -2.507 1.00 0.00 C ATOM 621 CZ2 TRP A 39 2.637 0.718 -1.724 1.00 0.00 C ATOM 622 CZ3 TRP A 39 0.392 1.300 -2.425 1.00 0.00 C ATOM 623 CH2 TRP A 39 1.330 0.335 -2.033 1.00 0.00 C ATOM 0 H TRP A 39 -0.399 5.508 -1.669 1.00 0.00 H new ATOM 0 HA TRP A 39 2.207 6.305 -0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.458 5.597 -3.347 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.975 6.348 -2.893 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.797 4.852 -1.686 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.041 2.311 -1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 39 0.029 3.392 -2.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.364 -0.022 -1.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.618 1.001 -2.665 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.042 -0.704 -1.970 1.00 0.00 H new ATOM 634 N TYR A 40 1.915 8.722 -1.186 1.00 0.00 N ATOM 635 CA TYR A 40 1.616 10.145 -1.412 1.00 0.00 C ATOM 636 C TYR A 40 2.789 10.836 -2.078 1.00 0.00 C ATOM 637 O TYR A 40 3.921 10.567 -1.745 1.00 0.00 O ATOM 638 CB TYR A 40 1.323 10.847 -0.078 1.00 0.00 C ATOM 639 CG TYR A 40 0.113 10.231 0.590 1.00 0.00 C ATOM 640 CD1 TYR A 40 0.277 9.181 1.501 1.00 0.00 C ATOM 641 CD2 TYR A 40 -1.167 10.717 0.306 1.00 0.00 C ATOM 642 CE1 TYR A 40 -0.840 8.619 2.129 1.00 0.00 C ATOM 643 CE2 TYR A 40 -2.283 10.154 0.930 1.00 0.00 C ATOM 644 CZ TYR A 40 -2.122 9.106 1.843 1.00 0.00 C ATOM 645 OH TYR A 40 -3.231 8.556 2.461 1.00 0.00 O ATOM 0 H TYR A 40 2.781 8.548 -0.676 1.00 0.00 H new ATOM 0 HA TYR A 40 0.742 10.205 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.189 10.767 0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.150 11.909 -0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.266 8.805 1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.293 11.528 -0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.714 7.810 2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.271 10.528 0.707 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.040 9.013 2.149 1.00 0.00 H new ATOM 655 N ARG A 41 2.494 11.764 -2.991 1.00 0.00 N ATOM 656 CA ARG A 41 3.538 12.543 -3.678 1.00 0.00 C ATOM 657 C ARG A 41 3.688 13.925 -3.044 1.00 0.00 C ATOM 658 O ARG A 41 3.128 14.913 -3.516 1.00 0.00 O ATOM 659 CB ARG A 41 3.253 12.629 -5.198 1.00 0.00 C ATOM 660 CG ARG A 41 1.875 13.261 -5.474 1.00 0.00 C ATOM 661 CD ARG A 41 1.521 13.063 -6.949 1.00 0.00 C ATOM 662 NE ARG A 41 0.196 13.642 -7.244 1.00 0.00 N ATOM 663 CZ ARG A 41 0.010 14.945 -7.580 1.00 0.00 C ATOM 664 NH1 ARG A 41 1.025 15.785 -7.661 1.00 0.00 N ATOM 665 NH2 ARG A 41 -1.197 15.376 -7.828 1.00 0.00 N ATOM 0 H ARG A 41 1.543 11.998 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 41 4.490 12.026 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.030 13.220 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.292 11.631 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.117 12.801 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.893 14.323 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.278 13.533 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.522 12.000 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.621 13.033 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.973 15.460 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.862 16.759 -7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.989 14.736 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.348 16.352 -8.081 1.00 0.00 H new ATOM 679 N SER A 42 4.411 13.961 -1.917 1.00 0.00 N ATOM 680 CA SER A 42 4.592 15.200 -1.146 1.00 0.00 C ATOM 681 C SER A 42 3.232 15.810 -0.747 1.00 0.00 C ATOM 682 O SER A 42 3.160 16.979 -0.360 1.00 0.00 O ATOM 683 CB SER A 42 5.394 16.217 -1.956 1.00 0.00 C ATOM 684 OG SER A 42 6.668 15.670 -2.268 1.00 0.00 O ATOM 0 H SER A 42 4.880 13.148 -1.518 1.00 0.00 H new ATOM 0 HA SER A 42 5.139 14.951 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.861 16.471 -2.872 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.511 17.140 -1.388 1.00 0.00 H new ATOM 0 HG SER A 42 7.302 15.888 -1.553 1.00 0.00 H new ATOM 690 N ASP A 43 2.164 14.996 -0.833 1.00 0.00 N ATOM 691 CA ASP A 43 0.822 15.425 -0.476 1.00 0.00 C ATOM 692 C ASP A 43 0.138 14.361 0.428 1.00 0.00 C ATOM 693 O ASP A 43 -0.624 13.525 -0.072 1.00 0.00 O ATOM 694 CB ASP A 43 -0.016 15.675 -1.745 1.00 0.00 C ATOM 695 CG ASP A 43 0.609 16.771 -2.637 1.00 0.00 C ATOM 696 OD1 ASP A 43 1.484 17.493 -2.166 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.195 16.872 -3.781 1.00 0.00 O ATOM 0 H ASP A 43 2.218 14.029 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 43 0.891 16.359 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.101 14.749 -2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.027 15.969 -1.461 1.00 0.00 H new ATOM 702 N PRO A 44 0.421 14.343 1.746 1.00 0.00 N ATOM 703 CA PRO A 44 -0.177 13.325 2.683 1.00 0.00 C ATOM 704 C PRO A 44 -1.708 13.298 2.606 1.00 0.00 C ATOM 705 O PRO A 44 -2.331 12.259 2.848 1.00 0.00 O ATOM 706 CB PRO A 44 0.286 13.798 4.065 1.00 0.00 C ATOM 707 CG PRO A 44 1.549 14.544 3.801 1.00 0.00 C ATOM 708 CD PRO A 44 1.326 15.271 2.483 1.00 0.00 C ATOM 0 HA PRO A 44 0.138 12.310 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.461 14.437 4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.455 12.956 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.764 15.247 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.399 13.865 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.869 16.249 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.261 15.435 1.948 1.00 0.00 H new ATOM 716 N ASP A 45 -2.303 14.453 2.288 1.00 0.00 N ATOM 717 CA ASP A 45 -3.768 14.576 2.203 1.00 0.00 C ATOM 718 C ASP A 45 -4.308 14.253 0.789 1.00 0.00 C ATOM 719 O ASP A 45 -5.522 14.302 0.564 1.00 0.00 O ATOM 720 CB ASP A 45 -4.194 15.990 2.605 1.00 0.00 C ATOM 721 CG ASP A 45 -3.723 16.296 4.023 1.00 0.00 C ATOM 722 OD1 ASP A 45 -2.629 16.819 4.164 1.00 0.00 O ATOM 723 OD2 ASP A 45 -4.464 16.004 4.948 1.00 0.00 O ATOM 0 H ASP A 45 -1.797 15.315 2.085 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.194 13.845 2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.774 16.716 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.278 16.082 2.546 1.00 0.00 H new ATOM 728 N MET A 46 -3.403 13.928 -0.157 1.00 0.00 N ATOM 729 CA MET A 46 -3.804 13.605 -1.534 1.00 0.00 C ATOM 730 C MET A 46 -3.146 12.272 -2.009 1.00 0.00 C ATOM 731 O MET A 46 -2.060 12.297 -2.603 1.00 0.00 O ATOM 732 CB MET A 46 -3.413 14.756 -2.480 1.00 0.00 C ATOM 733 CG MET A 46 -3.982 14.506 -3.888 1.00 0.00 C ATOM 734 SD MET A 46 -5.795 14.534 -3.839 1.00 0.00 S ATOM 735 CE MET A 46 -6.001 16.332 -3.735 1.00 0.00 C ATOM 0 H MET A 46 -2.398 13.883 0.009 1.00 0.00 H new ATOM 0 HA MET A 46 -4.886 13.476 -1.555 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.791 15.701 -2.090 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.328 14.843 -2.529 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.617 15.268 -4.577 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.635 13.543 -4.264 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.529 16.585 -2.816 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.022 16.811 -3.735 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.576 16.683 -4.592 1.00 0.00 H new ATOM 745 N PRO A 47 -3.786 11.102 -1.768 1.00 0.00 N ATOM 746 CA PRO A 47 -3.223 9.778 -2.205 1.00 0.00 C ATOM 747 C PRO A 47 -3.308 9.597 -3.722 1.00 0.00 C ATOM 748 O PRO A 47 -4.224 10.119 -4.365 1.00 0.00 O ATOM 749 CB PRO A 47 -4.113 8.758 -1.493 1.00 0.00 C ATOM 750 CG PRO A 47 -5.420 9.452 -1.321 1.00 0.00 C ATOM 751 CD PRO A 47 -5.089 10.920 -1.066 1.00 0.00 C ATOM 0 HA PRO A 47 -2.166 9.678 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.222 7.848 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.690 8.466 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.040 9.341 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.980 9.028 -0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.858 11.581 -1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.006 11.135 -0.001 1.00 0.00 H new ATOM 759 N VAL A 48 -2.353 8.844 -4.283 1.00 0.00 N ATOM 760 CA VAL A 48 -2.324 8.578 -5.729 1.00 0.00 C ATOM 761 C VAL A 48 -3.056 7.261 -6.035 1.00 0.00 C ATOM 762 O VAL A 48 -3.993 7.231 -6.834 1.00 0.00 O ATOM 763 CB VAL A 48 -0.854 8.516 -6.234 1.00 0.00 C ATOM 764 CG1 VAL A 48 -0.811 8.265 -7.750 1.00 0.00 C ATOM 765 CG2 VAL A 48 -0.145 9.845 -5.931 1.00 0.00 C ATOM 0 H VAL A 48 -1.592 8.409 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.833 9.389 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.351 7.697 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.226 8.225 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.301 7.318 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.327 9.074 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.884 9.797 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.666 10.659 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.150 10.023 -4.856 1.00 0.00 H new ATOM 775 N ILE A 49 -2.624 6.187 -5.368 1.00 0.00 N ATOM 776 CA ILE A 49 -3.231 4.863 -5.535 1.00 0.00 C ATOM 777 C ILE A 49 -3.045 4.036 -4.254 1.00 0.00 C ATOM 778 O ILE A 49 -2.103 4.276 -3.490 1.00 0.00 O ATOM 779 CB ILE A 49 -2.630 4.151 -6.785 1.00 0.00 C ATOM 780 CG1 ILE A 49 -3.432 2.873 -7.130 1.00 0.00 C ATOM 781 CG2 ILE A 49 -1.157 3.785 -6.553 1.00 0.00 C ATOM 782 CD1 ILE A 49 -4.818 3.253 -7.672 1.00 0.00 C ATOM 0 H ILE A 49 -1.851 6.209 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.302 4.970 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.694 4.847 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.892 2.284 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.538 2.249 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.761 3.290 -7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.583 4.691 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.079 3.114 -5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.375 2.348 -7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.360 3.823 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.704 3.858 -8.571 1.00 0.00 H new ATOM 794 N MET A 50 -3.967 3.098 -4.003 1.00 0.00 N ATOM 795 CA MET A 50 -3.918 2.282 -2.779 1.00 0.00 C ATOM 796 C MET A 50 -3.999 0.790 -3.078 1.00 0.00 C ATOM 797 O MET A 50 -4.576 0.373 -4.084 1.00 0.00 O ATOM 798 CB MET A 50 -5.045 2.691 -1.812 1.00 0.00 C ATOM 799 CG MET A 50 -6.416 2.521 -2.484 1.00 0.00 C ATOM 800 SD MET A 50 -7.719 3.079 -1.357 1.00 0.00 S ATOM 801 CE MET A 50 -7.654 1.678 -0.217 1.00 0.00 C ATOM 0 H MET A 50 -4.749 2.885 -4.623 1.00 0.00 H new ATOM 0 HA MET A 50 -2.953 2.470 -2.307 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.997 2.082 -0.910 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.910 3.728 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.452 3.095 -3.410 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.575 1.476 -2.750 1.00 0.00 H new ATOM 0 HE1 MET A 50 -8.628 1.190 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.903 0.966 -0.558 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.392 2.032 0.780 1.00 0.00 H new ATOM 811 N TYR A 51 -3.402 -0.003 -2.184 1.00 0.00 N ATOM 812 CA TYR A 51 -3.377 -1.454 -2.315 1.00 0.00 C ATOM 813 C TYR A 51 -4.056 -2.089 -1.106 1.00 0.00 C ATOM 814 O TYR A 51 -3.553 -1.985 0.012 1.00 0.00 O ATOM 815 CB TYR A 51 -1.919 -1.920 -2.397 1.00 0.00 C ATOM 816 CG TYR A 51 -1.852 -3.382 -2.780 1.00 0.00 C ATOM 817 CD1 TYR A 51 -2.041 -3.759 -4.113 1.00 0.00 C ATOM 818 CD2 TYR A 51 -1.588 -4.355 -1.808 1.00 0.00 C ATOM 819 CE1 TYR A 51 -1.967 -5.107 -4.477 1.00 0.00 C ATOM 820 CE2 TYR A 51 -1.515 -5.704 -2.172 1.00 0.00 C ATOM 821 CZ TYR A 51 -1.704 -6.079 -3.508 1.00 0.00 C ATOM 822 OH TYR A 51 -1.631 -7.410 -3.869 1.00 0.00 O ATOM 0 H TYR A 51 -2.925 0.346 -1.353 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.909 -1.754 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.380 -1.321 -3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.427 -1.766 -1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.244 -3.008 -4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.441 -4.064 -0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.113 -5.397 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.313 -6.456 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.286 -7.594 -4.574 1.00 0.00 H new ATOM 832 N ARG A 52 -5.218 -2.723 -1.333 1.00 0.00 N ATOM 833 CA ARG A 52 -5.984 -3.340 -0.242 1.00 0.00 C ATOM 834 C ARG A 52 -6.493 -4.726 -0.634 1.00 0.00 C ATOM 835 O ARG A 52 -6.962 -4.933 -1.757 1.00 0.00 O ATOM 836 CB ARG A 52 -7.168 -2.438 0.147 1.00 0.00 C ATOM 837 CG ARG A 52 -7.820 -2.955 1.437 1.00 0.00 C ATOM 838 CD ARG A 52 -8.966 -2.025 1.841 1.00 0.00 C ATOM 839 NE ARG A 52 -9.580 -2.485 3.102 1.00 0.00 N ATOM 840 CZ ARG A 52 -10.614 -1.840 3.704 1.00 0.00 C ATOM 841 NH1 ARG A 52 -11.136 -0.746 3.185 1.00 0.00 N ATOM 842 NH2 ARG A 52 -11.100 -2.314 4.819 1.00 0.00 N ATOM 0 H ARG A 52 -5.643 -2.821 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.318 -3.454 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.824 -1.413 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.902 -2.419 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.195 -3.967 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.080 -3.005 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.593 -1.008 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.717 -1.998 1.052 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.211 -3.327 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.764 -0.367 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.912 -0.279 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.704 -3.160 5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.876 -1.839 5.280 1.00 0.00 H new ATOM 856 N ASP A 53 -6.419 -5.662 0.319 1.00 0.00 N ATOM 857 CA ASP A 53 -6.896 -7.034 0.099 1.00 0.00 C ATOM 858 C ASP A 53 -6.205 -7.680 -1.110 1.00 0.00 C ATOM 859 O ASP A 53 -6.822 -8.442 -1.871 1.00 0.00 O ATOM 860 CB ASP A 53 -8.427 -7.033 -0.091 1.00 0.00 C ATOM 861 CG ASP A 53 -8.999 -8.456 0.021 1.00 0.00 C ATOM 862 OD1 ASP A 53 -8.438 -9.257 0.756 1.00 0.00 O ATOM 863 OD2 ASP A 53 -9.992 -8.720 -0.637 1.00 0.00 O ATOM 0 H ASP A 53 -6.034 -5.496 1.249 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.645 -7.627 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.889 -6.392 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.675 -6.613 -1.066 1.00 0.00 H new ATOM 868 N GLY A 54 -4.907 -7.412 -1.243 1.00 0.00 N ATOM 869 CA GLY A 54 -4.098 -8.003 -2.317 1.00 0.00 C ATOM 870 C GLY A 54 -4.438 -7.420 -3.707 1.00 0.00 C ATOM 871 O GLY A 54 -4.023 -7.980 -4.729 1.00 0.00 O ATOM 0 H GLY A 54 -4.390 -6.790 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.042 -7.836 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.253 -9.082 -2.332 1.00 0.00 H new ATOM 875 N ALA A 55 -5.200 -6.309 -3.743 1.00 0.00 N ATOM 876 CA ALA A 55 -5.589 -5.683 -5.019 1.00 0.00 C ATOM 877 C ALA A 55 -5.697 -4.163 -4.892 1.00 0.00 C ATOM 878 O ALA A 55 -6.023 -3.644 -3.824 1.00 0.00 O ATOM 879 CB ALA A 55 -6.925 -6.256 -5.501 1.00 0.00 C ATOM 0 H ALA A 55 -5.554 -5.833 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.809 -5.907 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.203 -5.786 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.828 -7.332 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.696 -6.058 -4.756 1.00 0.00 H new ATOM 885 N GLU A 56 -5.434 -3.459 -6.004 1.00 0.00 N ATOM 886 CA GLU A 56 -5.511 -1.992 -6.035 1.00 0.00 C ATOM 887 C GLU A 56 -6.956 -1.519 -6.192 1.00 0.00 C ATOM 888 O GLU A 56 -7.798 -2.240 -6.735 1.00 0.00 O ATOM 889 CB GLU A 56 -4.650 -1.430 -7.166 1.00 0.00 C ATOM 890 CG GLU A 56 -3.165 -1.654 -6.836 1.00 0.00 C ATOM 891 CD GLU A 56 -2.258 -1.262 -8.020 1.00 0.00 C ATOM 892 OE1 GLU A 56 -2.747 -1.196 -9.144 1.00 0.00 O ATOM 893 OE2 GLU A 56 -1.086 -1.030 -7.778 1.00 0.00 O ATOM 0 H GLU A 56 -5.166 -3.883 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.129 -1.620 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.903 -1.918 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.849 -0.366 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.894 -1.067 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.001 -2.701 -6.582 1.00 0.00 H new ATOM 900 N VAL A 57 -7.238 -0.311 -5.686 1.00 0.00 N ATOM 901 CA VAL A 57 -8.591 0.257 -5.741 1.00 0.00 C ATOM 902 C VAL A 57 -9.084 0.391 -7.194 1.00 0.00 C ATOM 903 O VAL A 57 -8.326 0.787 -8.086 1.00 0.00 O ATOM 904 CB VAL A 57 -8.622 1.625 -5.009 1.00 0.00 C ATOM 905 CG1 VAL A 57 -7.688 2.623 -5.702 1.00 0.00 C ATOM 906 CG2 VAL A 57 -10.055 2.191 -4.988 1.00 0.00 C ATOM 0 H VAL A 57 -6.549 0.290 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.272 -0.425 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.284 1.471 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.721 3.577 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.669 2.237 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.009 2.766 -6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.060 3.151 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.407 2.328 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.713 1.495 -4.468 1.00 0.00 H new ATOM 916 N THR A 58 -10.367 0.068 -7.405 1.00 0.00 N ATOM 917 CA THR A 58 -10.988 0.160 -8.727 1.00 0.00 C ATOM 918 C THR A 58 -12.222 1.074 -8.662 1.00 0.00 C ATOM 919 O THR A 58 -13.083 0.905 -7.793 1.00 0.00 O ATOM 920 CB THR A 58 -11.386 -1.250 -9.219 1.00 0.00 C ATOM 921 OG1 THR A 58 -10.230 -2.076 -9.242 1.00 0.00 O ATOM 922 CG2 THR A 58 -11.971 -1.173 -10.640 1.00 0.00 C ATOM 0 H THR A 58 -10.995 -0.260 -6.671 1.00 0.00 H new ATOM 0 HA THR A 58 -10.274 0.587 -9.431 1.00 0.00 H new ATOM 0 HB THR A 58 -12.136 -1.664 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.475 -2.973 -9.552 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.247 -2.173 -10.974 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.855 -0.535 -10.636 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.226 -0.756 -11.318 1.00 0.00 H new ATOM 930 N GLY A 59 -12.288 2.043 -9.584 1.00 0.00 N ATOM 931 CA GLY A 59 -13.404 2.993 -9.630 1.00 0.00 C ATOM 932 C GLY A 59 -14.190 2.870 -10.933 1.00 0.00 C ATOM 933 O GLY A 59 -14.751 1.813 -11.235 1.00 0.00 O ATOM 0 H GLY A 59 -11.583 2.189 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.069 2.816 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.023 4.009 -9.528 1.00 0.00 H new ATOM 937 N LEU A 60 -14.212 3.963 -11.703 1.00 0.00 N ATOM 938 CA LEU A 60 -14.908 4.002 -12.983 1.00 0.00 C ATOM 939 C LEU A 60 -14.127 3.191 -14.042 1.00 0.00 C ATOM 940 O LEU A 60 -12.969 2.836 -13.800 1.00 0.00 O ATOM 941 CB LEU A 60 -15.121 5.468 -13.453 1.00 0.00 C ATOM 942 CG LEU A 60 -13.745 6.189 -13.694 1.00 0.00 C ATOM 943 CD1 LEU A 60 -13.836 7.101 -14.935 1.00 0.00 C ATOM 944 CD2 LEU A 60 -13.360 7.054 -12.453 1.00 0.00 C ATOM 0 H LEU A 60 -13.750 4.837 -11.454 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.890 3.547 -12.856 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.706 5.477 -14.373 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.695 6.014 -12.704 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.982 5.427 -13.854 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.878 7.596 -15.094 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.084 6.501 -15.810 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.611 7.852 -14.779 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.405 7.547 -12.635 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.130 7.806 -12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.276 6.414 -11.575 1.00 0.00 H new ATOM 956 N PRO A 61 -14.742 2.837 -15.195 1.00 0.00 N ATOM 957 CA PRO A 61 -14.058 1.999 -16.235 1.00 0.00 C ATOM 958 C PRO A 61 -12.677 2.544 -16.599 1.00 0.00 C ATOM 959 O PRO A 61 -11.735 1.769 -16.798 1.00 0.00 O ATOM 960 CB PRO A 61 -15.010 2.065 -17.429 1.00 0.00 C ATOM 961 CG PRO A 61 -16.354 2.254 -16.815 1.00 0.00 C ATOM 962 CD PRO A 61 -16.131 3.185 -15.628 1.00 0.00 C ATOM 0 HA PRO A 61 -13.872 0.982 -15.889 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.757 2.890 -18.095 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.968 1.152 -18.023 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.054 2.688 -17.529 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.776 1.302 -16.493 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -16.215 4.233 -15.914 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.858 3.011 -14.835 1.00 0.00 H new ATOM 970 N MET A 62 -12.552 3.876 -16.640 1.00 0.00 N ATOM 971 CA MET A 62 -11.266 4.512 -16.929 1.00 0.00 C ATOM 972 C MET A 62 -10.458 4.619 -15.638 1.00 0.00 C ATOM 973 O MET A 62 -10.845 5.344 -14.715 1.00 0.00 O ATOM 974 CB MET A 62 -11.491 5.910 -17.534 1.00 0.00 C ATOM 975 CG MET A 62 -10.150 6.524 -17.961 1.00 0.00 C ATOM 976 SD MET A 62 -10.436 8.149 -18.705 1.00 0.00 S ATOM 977 CE MET A 62 -10.844 9.032 -17.179 1.00 0.00 C ATOM 0 H MET A 62 -13.320 4.528 -16.478 1.00 0.00 H new ATOM 0 HA MET A 62 -10.716 3.909 -17.651 1.00 0.00 H new ATOM 0 HB2 MET A 62 -12.157 5.839 -18.394 1.00 0.00 H new ATOM 0 HB3 MET A 62 -11.979 6.556 -16.804 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.491 6.619 -17.098 1.00 0.00 H new ATOM 0 HG3 MET A 62 -9.649 5.869 -18.674 1.00 0.00 H new ATOM 0 HE1 MET A 62 -10.265 9.954 -17.126 1.00 0.00 H new ATOM 0 HE2 MET A 62 -11.908 9.270 -17.170 1.00 0.00 H new ATOM 0 HE3 MET A 62 -10.605 8.404 -16.320 1.00 0.00 H new ATOM 987 N GLU A 63 -9.355 3.869 -15.568 1.00 0.00 N ATOM 988 CA GLU A 63 -8.518 3.849 -14.370 1.00 0.00 C ATOM 989 C GLU A 63 -7.433 4.931 -14.451 1.00 0.00 C ATOM 990 O GLU A 63 -6.310 4.676 -14.905 1.00 0.00 O ATOM 991 CB GLU A 63 -7.882 2.457 -14.204 1.00 0.00 C ATOM 992 CG GLU A 63 -7.484 2.231 -12.738 1.00 0.00 C ATOM 993 CD GLU A 63 -8.729 2.095 -11.842 1.00 0.00 C ATOM 994 OE1 GLU A 63 -9.748 1.614 -12.323 1.00 0.00 O ATOM 995 OE2 GLU A 63 -8.640 2.475 -10.685 1.00 0.00 O ATOM 0 H GLU A 63 -9.023 3.271 -16.325 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.141 4.060 -13.501 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.585 1.687 -14.521 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.005 2.371 -14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.874 1.331 -12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.871 3.063 -12.391 1.00 0.00 H new ATOM 1002 N GLY A 64 -7.797 6.148 -14.031 1.00 0.00 N ATOM 1003 CA GLY A 64 -6.884 7.292 -14.068 1.00 0.00 C ATOM 1004 C GLY A 64 -5.663 7.088 -13.172 1.00 0.00 C ATOM 1005 O GLY A 64 -4.550 7.461 -13.543 1.00 0.00 O ATOM 0 H GLY A 64 -8.722 6.365 -13.660 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.555 7.459 -15.094 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.417 8.190 -13.754 1.00 0.00 H new ATOM 1009 N TYR A 65 -5.887 6.537 -11.972 1.00 0.00 N ATOM 1010 CA TYR A 65 -4.799 6.324 -11.005 1.00 0.00 C ATOM 1011 C TYR A 65 -4.230 4.910 -11.091 1.00 0.00 C ATOM 1012 O TYR A 65 -3.013 4.722 -11.173 1.00 0.00 O ATOM 1013 CB TYR A 65 -5.300 6.577 -9.587 1.00 0.00 C ATOM 1014 CG TYR A 65 -5.690 8.030 -9.428 1.00 0.00 C ATOM 1015 CD1 TYR A 65 -7.009 8.432 -9.669 1.00 0.00 C ATOM 1016 CD2 TYR A 65 -4.730 8.973 -9.040 1.00 0.00 C ATOM 1017 CE1 TYR A 65 -7.369 9.777 -9.521 1.00 0.00 C ATOM 1018 CE2 TYR A 65 -5.090 10.318 -8.892 1.00 0.00 C ATOM 1019 CZ TYR A 65 -6.410 10.720 -9.133 1.00 0.00 C ATOM 1020 OH TYR A 65 -6.764 12.047 -8.989 1.00 0.00 O ATOM 0 H TYR A 65 -6.805 6.232 -11.648 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.004 7.028 -11.252 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.156 5.937 -9.375 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.524 6.319 -8.867 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.749 7.705 -9.969 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.712 8.663 -8.855 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.387 10.087 -9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.350 11.045 -8.592 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.980 12.567 -8.714 1.00 0.00 H new ATOM 1030 N GLY A 66 -5.124 3.921 -11.022 1.00 0.00 N ATOM 1031 CA GLY A 66 -4.732 2.509 -11.037 1.00 0.00 C ATOM 1032 C GLY A 66 -4.010 2.128 -12.323 1.00 0.00 C ATOM 1033 O GLY A 66 -3.046 1.358 -12.290 1.00 0.00 O ATOM 0 H GLY A 66 -6.130 4.073 -10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.085 2.304 -10.184 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.619 1.886 -10.921 1.00 0.00 H new ATOM 1037 N GLY A 67 -4.488 2.651 -13.456 1.00 0.00 N ATOM 1038 CA GLY A 67 -3.882 2.344 -14.751 1.00 0.00 C ATOM 1039 C GLY A 67 -2.432 2.808 -14.796 1.00 0.00 C ATOM 1040 O GLY A 67 -1.557 2.096 -15.298 1.00 0.00 O ATOM 0 H GLY A 67 -5.287 3.284 -13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.930 1.271 -14.934 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.448 2.829 -15.546 1.00 0.00 H new ATOM 1044 N ARG A 68 -2.189 4.013 -14.270 1.00 0.00 N ATOM 1045 CA ARG A 68 -0.843 4.593 -14.244 1.00 0.00 C ATOM 1046 C ARG A 68 0.072 3.898 -13.228 1.00 0.00 C ATOM 1047 O ARG A 68 1.263 3.705 -13.500 1.00 0.00 O ATOM 1048 CB ARG A 68 -0.919 6.111 -13.959 1.00 0.00 C ATOM 1049 CG ARG A 68 -1.111 6.922 -15.274 1.00 0.00 C ATOM 1050 CD ARG A 68 -2.473 6.601 -15.922 1.00 0.00 C ATOM 1051 NE ARG A 68 -2.817 7.621 -16.932 1.00 0.00 N ATOM 1052 CZ ARG A 68 -3.917 7.537 -17.729 1.00 0.00 C ATOM 1053 NH1 ARG A 68 -4.748 6.515 -17.647 1.00 0.00 N ATOM 1054 NH2 ARG A 68 -4.156 8.488 -18.591 1.00 0.00 N ATOM 0 H ARG A 68 -2.908 4.606 -13.856 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.403 4.435 -15.229 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.746 6.315 -13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.007 6.436 -13.458 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.047 7.989 -15.061 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.307 6.688 -15.972 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.438 5.616 -16.388 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.247 6.563 -15.156 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.201 8.427 -17.038 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.572 5.767 -16.976 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.566 6.473 -18.254 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.521 9.283 -18.662 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.977 8.436 -19.193 1.00 0.00 H new ATOM 1068 N ALA A 69 -0.476 3.550 -12.042 1.00 0.00 N ATOM 1069 CA ALA A 69 0.321 2.914 -10.993 1.00 0.00 C ATOM 1070 C ALA A 69 -0.135 1.482 -10.730 1.00 0.00 C ATOM 1071 O ALA A 69 -1.318 1.230 -10.497 1.00 0.00 O ATOM 1072 CB ALA A 69 0.237 3.729 -9.702 1.00 0.00 C ATOM 0 H ALA A 69 -1.455 3.700 -11.798 1.00 0.00 H new ATOM 0 HA ALA A 69 1.355 2.880 -11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.834 3.247 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.619 4.734 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.801 3.788 -9.376 1.00 0.00 H new ATOM 1078 N GLU A 70 0.831 0.558 -10.715 1.00 0.00 N ATOM 1079 CA GLU A 70 0.560 -0.848 -10.432 1.00 0.00 C ATOM 1080 C GLU A 70 1.586 -1.383 -9.439 1.00 0.00 C ATOM 1081 O GLU A 70 2.733 -0.932 -9.424 1.00 0.00 O ATOM 1082 CB GLU A 70 0.572 -1.686 -11.735 1.00 0.00 C ATOM 1083 CG GLU A 70 1.950 -1.592 -12.442 1.00 0.00 C ATOM 1084 CD GLU A 70 1.969 -0.453 -13.482 1.00 0.00 C ATOM 1085 OE1 GLU A 70 1.228 0.507 -13.318 1.00 0.00 O ATOM 1086 OE2 GLU A 70 2.732 -0.565 -14.428 1.00 0.00 O ATOM 0 H GLU A 70 1.813 0.765 -10.897 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.434 -0.930 -9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.348 -2.727 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.210 -1.333 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.731 -1.424 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.175 -2.539 -12.932 1.00 0.00 H new ATOM 1093 N TRP A 71 1.150 -2.303 -8.575 1.00 0.00 N ATOM 1094 CA TRP A 71 2.018 -2.844 -7.522 1.00 0.00 C ATOM 1095 C TRP A 71 3.045 -3.834 -8.059 1.00 0.00 C ATOM 1096 O TRP A 71 2.714 -4.743 -8.825 1.00 0.00 O ATOM 1097 CB TRP A 71 1.180 -3.499 -6.404 1.00 0.00 C ATOM 1098 CG TRP A 71 0.342 -4.619 -6.961 1.00 0.00 C ATOM 1099 CD1 TRP A 71 -0.909 -4.480 -7.452 1.00 0.00 C ATOM 1100 CD2 TRP A 71 0.677 -6.031 -7.086 1.00 0.00 C ATOM 1101 NE1 TRP A 71 -1.364 -5.718 -7.870 1.00 0.00 N ATOM 1102 CE2 TRP A 71 -0.421 -6.707 -7.665 1.00 0.00 C ATOM 1103 CE3 TRP A 71 1.820 -6.785 -6.755 1.00 0.00 C ATOM 1104 CZ2 TRP A 71 -0.393 -8.077 -7.910 1.00 0.00 C ATOM 1105 CZ3 TRP A 71 1.851 -8.170 -7.001 1.00 0.00 C ATOM 1106 CH2 TRP A 71 0.746 -8.814 -7.577 1.00 0.00 C ATOM 0 H TRP A 71 0.206 -2.689 -8.582 1.00 0.00 H new ATOM 0 HA TRP A 71 2.569 -1.999 -7.109 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.839 -3.883 -5.625 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.537 -2.752 -5.939 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.463 -3.555 -7.509 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.284 -5.881 -8.280 1.00 0.00 H new ATOM 0 HE3 TRP A 71 2.676 -6.298 -6.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.247 -8.567 -8.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.731 -8.741 -6.745 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.776 -9.878 -7.763 1.00 0.00 H new ATOM 1117 N MET A 72 4.281 -3.676 -7.587 1.00 0.00 N ATOM 1118 CA MET A 72 5.371 -4.572 -7.937 1.00 0.00 C ATOM 1119 C MET A 72 6.165 -4.917 -6.676 1.00 0.00 C ATOM 1120 O MET A 72 6.934 -4.090 -6.175 1.00 0.00 O ATOM 1121 CB MET A 72 6.287 -3.905 -8.977 1.00 0.00 C ATOM 1122 CG MET A 72 7.334 -4.910 -9.472 1.00 0.00 C ATOM 1123 SD MET A 72 8.350 -4.140 -10.756 1.00 0.00 S ATOM 1124 CE MET A 72 9.411 -5.567 -11.088 1.00 0.00 C ATOM 0 H MET A 72 4.550 -2.924 -6.953 1.00 0.00 H new ATOM 0 HA MET A 72 4.966 -5.487 -8.369 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.694 -3.541 -9.816 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.781 -3.039 -8.537 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.962 -5.235 -8.643 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.842 -5.799 -9.867 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.131 -5.312 -11.866 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.943 -5.844 -10.178 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.799 -6.406 -11.420 1.00 0.00 H new ATOM 1134 N GLU A 73 5.957 -6.131 -6.160 1.00 0.00 N ATOM 1135 CA GLU A 73 6.637 -6.580 -4.942 1.00 0.00 C ATOM 1136 C GLU A 73 8.148 -6.632 -5.152 1.00 0.00 C ATOM 1137 O GLU A 73 8.625 -7.089 -6.196 1.00 0.00 O ATOM 1138 CB GLU A 73 6.113 -7.957 -4.514 1.00 0.00 C ATOM 1139 CG GLU A 73 6.638 -8.298 -3.108 1.00 0.00 C ATOM 1140 CD GLU A 73 6.099 -9.658 -2.649 1.00 0.00 C ATOM 1141 OE1 GLU A 73 4.943 -9.947 -2.924 1.00 0.00 O ATOM 1142 OE2 GLU A 73 6.853 -10.389 -2.027 1.00 0.00 O ATOM 0 H GLU A 73 5.324 -6.820 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 73 6.425 -5.862 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.023 -7.959 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.434 -8.717 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.728 -8.316 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.336 -7.524 -2.403 1.00 0.00 H new ATOM 1149 N ASP A 74 8.893 -6.151 -4.151 1.00 0.00 N ATOM 1150 CA ASP A 74 10.354 -6.128 -4.211 1.00 0.00 C ATOM 1151 C ASP A 74 10.921 -7.538 -4.322 1.00 0.00 C ATOM 1152 O ASP A 74 10.356 -8.492 -3.778 1.00 0.00 O ATOM 1153 CB ASP A 74 10.930 -5.430 -2.964 1.00 0.00 C ATOM 1154 CG ASP A 74 10.675 -3.907 -2.997 1.00 0.00 C ATOM 1155 OD1 ASP A 74 10.338 -3.384 -4.055 1.00 0.00 O ATOM 1156 OD2 ASP A 74 10.824 -3.287 -1.957 1.00 0.00 O ATOM 0 H ASP A 74 8.504 -5.772 -3.288 1.00 0.00 H new ATOM 0 HA ASP A 74 10.644 -5.569 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.480 -5.856 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.002 -5.619 -2.903 1.00 0.00 H new ATOM 1161 N SER A 75 12.040 -7.657 -5.037 1.00 0.00 N ATOM 1162 CA SER A 75 12.707 -8.943 -5.241 1.00 0.00 C ATOM 1163 C SER A 75 13.159 -9.549 -3.911 1.00 0.00 C ATOM 1164 O SER A 75 13.121 -10.772 -3.734 1.00 0.00 O ATOM 1165 CB SER A 75 13.911 -8.770 -6.165 1.00 0.00 C ATOM 1166 OG SER A 75 13.461 -8.391 -7.460 1.00 0.00 O ATOM 0 H SER A 75 12.507 -6.870 -5.488 1.00 0.00 H new ATOM 0 HA SER A 75 11.991 -9.623 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.584 -8.012 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.476 -9.700 -6.222 1.00 0.00 H new ATOM 0 HG SER A 75 14.232 -8.278 -8.054 1.00 0.00 H new ATOM 1172 N THR A 76 13.620 -8.688 -2.997 1.00 0.00 N ATOM 1173 CA THR A 76 14.122 -9.134 -1.695 1.00 0.00 C ATOM 1174 C THR A 76 13.016 -9.865 -0.914 1.00 0.00 C ATOM 1175 O THR A 76 13.283 -10.863 -0.238 1.00 0.00 O ATOM 1176 CB THR A 76 14.629 -7.913 -0.892 1.00 0.00 C ATOM 1177 OG1 THR A 76 15.640 -7.252 -1.642 1.00 0.00 O ATOM 1178 CG2 THR A 76 15.231 -8.365 0.450 1.00 0.00 C ATOM 0 H THR A 76 13.655 -7.678 -3.136 1.00 0.00 H new ATOM 0 HA THR A 76 14.947 -9.830 -1.850 1.00 0.00 H new ATOM 0 HB THR A 76 13.790 -7.243 -0.703 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.965 -6.476 -1.140 1.00 0.00 H new ATOM 0 HG21 THR A 76 15.583 -7.494 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.470 -8.882 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.067 -9.039 0.265 1.00 0.00 H new ATOM 1186 N GLU A 77 11.782 -9.358 -1.017 1.00 0.00 N ATOM 1187 CA GLU A 77 10.635 -9.963 -0.321 1.00 0.00 C ATOM 1188 C GLU A 77 10.905 -10.080 1.193 1.00 0.00 C ATOM 1189 O GLU A 77 10.461 -11.035 1.848 1.00 0.00 O ATOM 1190 CB GLU A 77 10.318 -11.350 -0.919 1.00 0.00 C ATOM 1191 CG GLU A 77 9.963 -11.212 -2.404 1.00 0.00 C ATOM 1192 CD GLU A 77 9.624 -12.578 -2.988 1.00 0.00 C ATOM 1193 OE1 GLU A 77 10.392 -13.501 -2.770 1.00 0.00 O ATOM 1194 OE2 GLU A 77 8.601 -12.683 -3.645 1.00 0.00 O ATOM 0 H GLU A 77 11.550 -8.534 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 77 9.771 -9.313 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.177 -12.011 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.489 -11.807 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.116 -10.536 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.800 -10.773 -2.947 1.00 0.00 H new ATOM 1201 N GLU A 78 11.616 -9.087 1.741 1.00 0.00 N ATOM 1202 CA GLU A 78 11.931 -9.057 3.174 1.00 0.00 C ATOM 1203 C GLU A 78 11.071 -7.993 3.884 1.00 0.00 C ATOM 1204 O GLU A 78 11.582 -7.139 4.627 1.00 0.00 O ATOM 1205 CB GLU A 78 13.438 -8.768 3.382 1.00 0.00 C ATOM 1206 CG GLU A 78 14.246 -10.075 3.320 1.00 0.00 C ATOM 1207 CD GLU A 78 13.932 -10.942 4.534 1.00 0.00 C ATOM 1208 OE1 GLU A 78 13.023 -11.752 4.441 1.00 0.00 O ATOM 1209 OE2 GLU A 78 14.604 -10.786 5.540 1.00 0.00 O ATOM 0 H GLU A 78 11.984 -8.295 1.214 1.00 0.00 H new ATOM 0 HA GLU A 78 11.703 -10.031 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.792 -8.077 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.592 -8.282 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.007 -10.617 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.312 -9.851 3.289 1.00 0.00 H new ATOM 1216 N GLY A 79 9.759 -8.057 3.640 1.00 0.00 N ATOM 1217 CA GLY A 79 8.813 -7.107 4.238 1.00 0.00 C ATOM 1218 C GLY A 79 8.817 -5.753 3.507 1.00 0.00 C ATOM 1219 O GLY A 79 8.356 -4.751 4.054 1.00 0.00 O ATOM 0 H GLY A 79 9.327 -8.755 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.809 -7.530 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.067 -6.954 5.287 1.00 0.00 H new ATOM 1223 N SER A 80 9.343 -5.734 2.273 1.00 0.00 N ATOM 1224 CA SER A 80 9.405 -4.509 1.480 1.00 0.00 C ATOM 1225 C SER A 80 8.466 -4.600 0.285 1.00 0.00 C ATOM 1226 O SER A 80 8.316 -5.666 -0.321 1.00 0.00 O ATOM 1227 CB SER A 80 10.831 -4.281 0.984 1.00 0.00 C ATOM 1228 OG SER A 80 11.704 -4.159 2.095 1.00 0.00 O ATOM 0 H SER A 80 9.730 -6.555 1.808 1.00 0.00 H new ATOM 0 HA SER A 80 9.099 -3.675 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.144 -5.111 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.875 -3.380 0.373 1.00 0.00 H new ATOM 0 HG SER A 80 12.620 -4.014 1.777 1.00 0.00 H new ATOM 1234 N VAL A 81 7.853 -3.469 -0.059 1.00 0.00 N ATOM 1235 CA VAL A 81 6.936 -3.392 -1.197 1.00 0.00 C ATOM 1236 C VAL A 81 7.308 -2.221 -2.099 1.00 0.00 C ATOM 1237 O VAL A 81 7.991 -1.287 -1.662 1.00 0.00 O ATOM 1238 CB VAL A 81 5.472 -3.253 -0.717 1.00 0.00 C ATOM 1239 CG1 VAL A 81 5.077 -4.494 0.085 1.00 0.00 C ATOM 1240 CG2 VAL A 81 5.316 -2.003 0.171 1.00 0.00 C ATOM 0 H VAL A 81 7.976 -2.587 0.438 1.00 0.00 H new ATOM 0 HA VAL A 81 7.023 -4.317 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 81 4.825 -3.154 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.045 -4.396 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.170 -5.379 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.734 -4.593 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.281 -1.918 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.968 -2.090 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.589 -1.115 -0.399 1.00 0.00 H new ATOM 1250 N ALA A 82 6.864 -2.280 -3.359 1.00 0.00 N ATOM 1251 CA ALA A 82 7.164 -1.225 -4.324 1.00 0.00 C ATOM 1252 C ALA A 82 5.979 -0.980 -5.255 1.00 0.00 C ATOM 1253 O ALA A 82 5.230 -1.905 -5.583 1.00 0.00 O ATOM 1254 CB ALA A 82 8.404 -1.598 -5.144 1.00 0.00 C ATOM 0 H ALA A 82 6.299 -3.044 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 82 7.361 -0.306 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.619 -0.805 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.257 -1.725 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.220 -2.530 -5.679 1.00 0.00 H new ATOM 1260 N LEU A 83 5.833 0.274 -5.694 1.00 0.00 N ATOM 1261 CA LEU A 83 4.766 0.665 -6.611 1.00 0.00 C ATOM 1262 C LEU A 83 5.372 1.221 -7.895 1.00 0.00 C ATOM 1263 O LEU A 83 6.150 2.181 -7.858 1.00 0.00 O ATOM 1264 CB LEU A 83 3.849 1.727 -5.946 1.00 0.00 C ATOM 1265 CG LEU A 83 2.709 2.178 -6.906 1.00 0.00 C ATOM 1266 CD1 LEU A 83 1.712 1.029 -7.140 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.971 3.378 -6.296 1.00 0.00 C ATOM 0 H LEU A 83 6.449 1.041 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 83 4.163 -0.211 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.417 1.316 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.444 2.592 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 83 3.149 2.460 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.923 1.364 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.232 0.180 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.274 0.728 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.173 3.694 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.544 3.092 -5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.671 4.201 -6.152 1.00 0.00 H new ATOM 1279 N LYS A 84 5.001 0.621 -9.022 1.00 0.00 N ATOM 1280 CA LYS A 84 5.491 1.055 -10.319 1.00 0.00 C ATOM 1281 C LYS A 84 4.556 2.117 -10.897 1.00 0.00 C ATOM 1282 O LYS A 84 3.374 1.858 -11.118 1.00 0.00 O ATOM 1283 CB LYS A 84 5.590 -0.159 -11.261 1.00 0.00 C ATOM 1284 CG LYS A 84 6.202 0.253 -12.610 1.00 0.00 C ATOM 1285 CD LYS A 84 6.351 -0.985 -13.499 1.00 0.00 C ATOM 1286 CE LYS A 84 6.981 -0.587 -14.836 1.00 0.00 C ATOM 1287 NZ LYS A 84 6.058 0.322 -15.572 1.00 0.00 N ATOM 0 H LYS A 84 4.359 -0.171 -9.059 1.00 0.00 H new ATOM 0 HA LYS A 84 6.482 1.495 -10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.201 -0.935 -10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.599 -0.585 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.567 0.992 -13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.174 0.721 -12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.972 -1.730 -13.001 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.376 -1.443 -13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.937 -0.091 -14.666 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.185 -1.476 -15.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.214 0.221 -16.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.074 0.074 -15.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.241 1.306 -15.289 1.00 0.00 H new ATOM 1301 N ILE A 85 5.105 3.314 -11.131 1.00 0.00 N ATOM 1302 CA ILE A 85 4.333 4.436 -11.675 1.00 0.00 C ATOM 1303 C ILE A 85 4.918 4.879 -13.022 1.00 0.00 C ATOM 1304 O ILE A 85 6.135 4.941 -13.189 1.00 0.00 O ATOM 1305 CB ILE A 85 4.299 5.608 -10.654 1.00 0.00 C ATOM 1306 CG1 ILE A 85 3.447 6.775 -11.210 1.00 0.00 C ATOM 1307 CG2 ILE A 85 5.731 6.089 -10.336 1.00 0.00 C ATOM 1308 CD1 ILE A 85 3.084 7.742 -10.079 1.00 0.00 C ATOM 0 H ILE A 85 6.085 3.531 -10.951 1.00 0.00 H new ATOM 0 HA ILE A 85 3.306 4.114 -11.848 1.00 0.00 H new ATOM 0 HB ILE A 85 3.843 5.252 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.000 7.302 -11.987 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.540 6.386 -11.673 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.689 6.910 -9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.305 5.266 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.212 6.432 -11.252 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.485 8.560 -10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.513 7.212 -9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.996 8.143 -9.636 1.00 0.00 H new ATOM 1320 N ARG A 86 4.031 5.103 -13.997 1.00 0.00 N ATOM 1321 CA ARG A 86 4.443 5.440 -15.360 1.00 0.00 C ATOM 1322 C ARG A 86 4.418 6.947 -15.624 1.00 0.00 C ATOM 1323 O ARG A 86 3.542 7.665 -15.138 1.00 0.00 O ATOM 1324 CB ARG A 86 3.525 4.738 -16.364 1.00 0.00 C ATOM 1325 CG ARG A 86 3.723 3.223 -16.274 1.00 0.00 C ATOM 1326 CD ARG A 86 2.685 2.523 -17.152 1.00 0.00 C ATOM 1327 NE ARG A 86 2.863 1.059 -17.096 1.00 0.00 N ATOM 1328 CZ ARG A 86 1.993 0.183 -17.666 1.00 0.00 C ATOM 1329 NH1 ARG A 86 0.920 0.601 -18.310 1.00 0.00 N ATOM 1330 NH2 ARG A 86 2.224 -1.099 -17.573 1.00 0.00 N ATOM 0 H ARG A 86 3.021 5.056 -13.865 1.00 0.00 H new ATOM 0 HA ARG A 86 5.472 5.101 -15.478 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.485 4.991 -16.159 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.744 5.083 -17.374 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.729 2.957 -16.598 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.623 2.893 -15.240 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.681 2.786 -16.819 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.779 2.868 -18.182 1.00 0.00 H new ATOM 0 HE ARG A 86 3.677 0.687 -16.607 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.729 1.600 -18.388 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.282 -0.075 -18.730 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.050 -1.434 -17.077 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.578 -1.766 -17.997 1.00 0.00 H new ATOM 1344 N GLN A 87 5.349 7.387 -16.470 1.00 0.00 N ATOM 1345 CA GLN A 87 5.429 8.786 -16.911 1.00 0.00 C ATOM 1346 C GLN A 87 5.525 9.765 -15.725 1.00 0.00 C ATOM 1347 O GLN A 87 4.759 10.738 -15.631 1.00 0.00 O ATOM 1348 CB GLN A 87 4.220 9.134 -17.827 1.00 0.00 C ATOM 1349 CG GLN A 87 4.134 8.144 -19.023 1.00 0.00 C ATOM 1350 CD GLN A 87 5.448 8.111 -19.813 1.00 0.00 C ATOM 1351 OE1 GLN A 87 5.902 9.139 -20.317 1.00 0.00 O ATOM 1352 NE2 GLN A 87 6.090 6.978 -19.934 1.00 0.00 N ATOM 0 H GLN A 87 6.070 6.787 -16.871 1.00 0.00 H new ATOM 0 HA GLN A 87 6.348 8.898 -17.486 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.297 9.095 -17.249 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.321 10.154 -18.199 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.903 7.144 -18.655 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.317 8.437 -19.683 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.710 6.129 -19.515 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.971 6.943 -20.447 1.00 0.00 H new ATOM 1361 N VAL A 88 6.493 9.513 -14.837 1.00 0.00 N ATOM 1362 CA VAL A 88 6.720 10.380 -13.672 1.00 0.00 C ATOM 1363 C VAL A 88 7.327 11.716 -14.138 1.00 0.00 C ATOM 1364 O VAL A 88 8.122 11.749 -15.081 1.00 0.00 O ATOM 1365 CB VAL A 88 7.634 9.682 -12.635 1.00 0.00 C ATOM 1366 CG1 VAL A 88 7.798 10.576 -11.399 1.00 0.00 C ATOM 1367 CG2 VAL A 88 6.997 8.351 -12.205 1.00 0.00 C ATOM 0 H VAL A 88 7.130 8.719 -14.901 1.00 0.00 H new ATOM 0 HA VAL A 88 5.766 10.579 -13.183 1.00 0.00 H new ATOM 0 HB VAL A 88 8.609 9.500 -13.087 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.442 10.079 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.247 11.525 -11.693 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.822 10.760 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.640 7.859 -11.475 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.021 8.542 -11.759 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.878 7.707 -13.076 1.00 0.00 H new ATOM 1377 N GLN A 89 6.868 12.814 -13.532 1.00 0.00 N ATOM 1378 CA GLN A 89 7.282 14.182 -13.948 1.00 0.00 C ATOM 1379 C GLN A 89 7.818 15.033 -12.750 1.00 0.00 C ATOM 1380 O GLN A 89 7.777 14.580 -11.601 1.00 0.00 O ATOM 1381 CB GLN A 89 6.127 14.962 -14.713 1.00 0.00 C ATOM 1382 CG GLN A 89 4.720 14.310 -14.556 1.00 0.00 C ATOM 1383 CD GLN A 89 4.084 14.721 -13.232 1.00 0.00 C ATOM 1384 OE1 GLN A 89 2.952 15.205 -13.214 1.00 0.00 O ATOM 1385 NE2 GLN A 89 4.750 14.578 -12.123 1.00 0.00 N ATOM 0 H GLN A 89 6.211 12.796 -12.752 1.00 0.00 H new ATOM 0 HA GLN A 89 8.104 14.038 -14.649 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.086 15.987 -14.343 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.377 15.015 -15.773 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.078 14.613 -15.384 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.809 13.225 -14.602 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.688 14.177 -12.139 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.334 14.867 -11.238 1.00 0.00 H new ATOM 1394 N PRO A 90 8.377 16.250 -13.002 1.00 0.00 N ATOM 1395 CA PRO A 90 8.968 17.107 -11.917 1.00 0.00 C ATOM 1396 C PRO A 90 8.033 17.307 -10.722 1.00 0.00 C ATOM 1397 O PRO A 90 8.500 17.340 -9.580 1.00 0.00 O ATOM 1398 CB PRO A 90 9.234 18.437 -12.620 1.00 0.00 C ATOM 1399 CG PRO A 90 9.487 18.061 -14.035 1.00 0.00 C ATOM 1400 CD PRO A 90 8.516 16.927 -14.331 1.00 0.00 C ATOM 0 HA PRO A 90 9.857 16.645 -11.488 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.381 19.110 -12.534 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.091 18.952 -12.186 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.319 18.906 -14.702 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.519 17.742 -14.178 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.559 17.300 -14.697 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.906 16.249 -15.091 1.00 0.00 H new ATOM 1408 N SER A 91 6.722 17.453 -10.975 1.00 0.00 N ATOM 1409 CA SER A 91 5.770 17.656 -9.873 1.00 0.00 C ATOM 1410 C SER A 91 5.766 16.445 -8.928 1.00 0.00 C ATOM 1411 O SER A 91 5.626 16.605 -7.711 1.00 0.00 O ATOM 1412 CB SER A 91 4.359 17.937 -10.403 1.00 0.00 C ATOM 1413 OG SER A 91 3.870 16.804 -11.093 1.00 0.00 O ATOM 0 H SER A 91 6.306 17.435 -11.906 1.00 0.00 H new ATOM 0 HA SER A 91 6.094 18.530 -9.308 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.693 18.186 -9.576 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.376 18.800 -11.069 1.00 0.00 H new ATOM 0 HG SER A 91 3.229 16.327 -10.525 1.00 0.00 H new ATOM 1419 N ASP A 92 5.997 15.240 -9.490 1.00 0.00 N ATOM 1420 CA ASP A 92 6.101 14.016 -8.676 1.00 0.00 C ATOM 1421 C ASP A 92 7.349 14.047 -7.796 1.00 0.00 C ATOM 1422 O ASP A 92 7.332 13.578 -6.657 1.00 0.00 O ATOM 1423 CB ASP A 92 6.138 12.766 -9.574 1.00 0.00 C ATOM 1424 CG ASP A 92 4.756 12.462 -10.192 1.00 0.00 C ATOM 1425 OD1 ASP A 92 3.765 13.025 -9.734 1.00 0.00 O ATOM 1426 OD2 ASP A 92 4.714 11.666 -11.115 1.00 0.00 O ATOM 0 H ASP A 92 6.114 15.091 -10.492 1.00 0.00 H new ATOM 0 HA ASP A 92 5.220 13.971 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 92 6.868 12.912 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.471 11.908 -8.990 1.00 0.00 H new ATOM 1431 N ASP A 93 8.434 14.609 -8.342 1.00 0.00 N ATOM 1432 CA ASP A 93 9.713 14.700 -7.630 1.00 0.00 C ATOM 1433 C ASP A 93 9.518 15.273 -6.226 1.00 0.00 C ATOM 1434 O ASP A 93 8.871 16.308 -6.045 1.00 0.00 O ATOM 1435 CB ASP A 93 10.681 15.578 -8.440 1.00 0.00 C ATOM 1436 CG ASP A 93 12.092 15.566 -7.834 1.00 0.00 C ATOM 1437 OD1 ASP A 93 12.207 15.453 -6.622 1.00 0.00 O ATOM 1438 OD2 ASP A 93 13.038 15.673 -8.598 1.00 0.00 O ATOM 0 H ASP A 93 8.451 15.009 -9.280 1.00 0.00 H new ATOM 0 HA ASP A 93 10.132 13.699 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.723 15.222 -9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.306 16.601 -8.472 1.00 0.00 H new ATOM 1443 N GLY A 94 10.056 14.555 -5.235 1.00 0.00 N ATOM 1444 CA GLY A 94 9.926 14.934 -3.832 1.00 0.00 C ATOM 1445 C GLY A 94 10.027 13.697 -2.944 1.00 0.00 C ATOM 1446 O GLY A 94 10.705 12.730 -3.293 1.00 0.00 O ATOM 0 H GLY A 94 10.591 13.699 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.706 15.647 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.970 15.432 -3.669 1.00 0.00 H new ATOM 1450 N GLN A 95 9.331 13.728 -1.806 1.00 0.00 N ATOM 1451 CA GLN A 95 9.323 12.588 -0.869 1.00 0.00 C ATOM 1452 C GLN A 95 7.936 11.965 -0.809 1.00 0.00 C ATOM 1453 O GLN A 95 6.928 12.670 -0.923 1.00 0.00 O ATOM 1454 CB GLN A 95 9.770 13.022 0.548 1.00 0.00 C ATOM 1455 CG GLN A 95 8.950 14.233 1.036 1.00 0.00 C ATOM 1456 CD GLN A 95 9.504 15.518 0.427 1.00 0.00 C ATOM 1457 OE1 GLN A 95 8.767 16.276 -0.202 1.00 0.00 O ATOM 1458 NE2 GLN A 95 10.770 15.805 0.568 1.00 0.00 N ATOM 0 H GLN A 95 8.766 14.523 -1.506 1.00 0.00 H new ATOM 0 HA GLN A 95 10.033 11.848 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.648 12.191 1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.830 13.276 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.904 14.110 0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.985 14.292 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.380 15.176 1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.148 16.658 0.157 1.00 0.00 H new ATOM 1467 N TYR A 96 7.888 10.633 -0.640 1.00 0.00 N ATOM 1468 CA TYR A 96 6.610 9.913 -0.581 1.00 0.00 C ATOM 1469 C TYR A 96 6.459 9.210 0.754 1.00 0.00 C ATOM 1470 O TYR A 96 7.396 8.576 1.231 1.00 0.00 O ATOM 1471 CB TYR A 96 6.527 8.865 -1.698 1.00 0.00 C ATOM 1472 CG TYR A 96 6.626 9.505 -3.069 1.00 0.00 C ATOM 1473 CD1 TYR A 96 7.872 9.904 -3.561 1.00 0.00 C ATOM 1474 CD2 TYR A 96 5.484 9.652 -3.865 1.00 0.00 C ATOM 1475 CE1 TYR A 96 7.974 10.452 -4.845 1.00 0.00 C ATOM 1476 CE2 TYR A 96 5.587 10.205 -5.143 1.00 0.00 C ATOM 1477 CZ TYR A 96 6.833 10.602 -5.632 1.00 0.00 C ATOM 1478 OH TYR A 96 6.936 11.132 -6.896 1.00 0.00 O ATOM 0 H TYR A 96 8.712 10.040 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 96 5.811 10.644 -0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.330 8.138 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.587 8.319 -1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.756 9.790 -2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.521 9.337 -3.490 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.937 10.759 -5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.704 10.326 -5.753 1.00 0.00 H new ATOM 0 HH TYR A 96 7.492 11.939 -6.868 1.00 0.00 H new ATOM 1488 N TRP A 97 5.270 9.316 1.346 1.00 0.00 N ATOM 1489 CA TRP A 97 4.994 8.685 2.622 1.00 0.00 C ATOM 1490 C TRP A 97 4.362 7.312 2.434 1.00 0.00 C ATOM 1491 O TRP A 97 3.414 7.152 1.660 1.00 0.00 O ATOM 1492 CB TRP A 97 4.082 9.574 3.474 1.00 0.00 C ATOM 1493 CG TRP A 97 4.815 10.817 3.884 1.00 0.00 C ATOM 1494 CD1 TRP A 97 5.232 11.789 3.037 1.00 0.00 C ATOM 1495 CD2 TRP A 97 5.199 11.252 5.223 1.00 0.00 C ATOM 1496 NE1 TRP A 97 5.861 12.781 3.769 1.00 0.00 N ATOM 1497 CE2 TRP A 97 5.864 12.496 5.121 1.00 0.00 C ATOM 1498 CE3 TRP A 97 5.043 10.689 6.505 1.00 0.00 C ATOM 1499 CZ2 TRP A 97 6.355 13.159 6.244 1.00 0.00 C ATOM 1500 CZ3 TRP A 97 5.536 11.356 7.640 1.00 0.00 C ATOM 1501 CH2 TRP A 97 6.191 12.589 7.508 1.00 0.00 C ATOM 0 H TRP A 97 4.484 9.836 0.955 1.00 0.00 H new ATOM 0 HA TRP A 97 5.944 8.553 3.140 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.188 9.839 2.910 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.751 9.029 4.358 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.096 11.790 1.966 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.272 13.620 3.360 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.542 9.739 6.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.859 14.108 6.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 5.410 10.917 8.619 1.00 0.00 H new ATOM 0 HH2 TRP A 97 6.568 13.097 8.383 1.00 0.00 H new ATOM 1512 N CYS A 98 4.887 6.329 3.171 1.00 0.00 N ATOM 1513 CA CYS A 98 4.375 4.964 3.124 1.00 0.00 C ATOM 1514 C CYS A 98 3.517 4.705 4.354 1.00 0.00 C ATOM 1515 O CYS A 98 4.010 4.763 5.482 1.00 0.00 O ATOM 1516 CB CYS A 98 5.546 3.979 3.081 1.00 0.00 C ATOM 1517 SG CYS A 98 4.934 2.277 2.957 1.00 0.00 S ATOM 0 H CYS A 98 5.671 6.459 3.810 1.00 0.00 H new ATOM 0 HA CYS A 98 3.767 4.829 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 98 6.188 4.204 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 98 6.155 4.089 3.978 1.00 0.00 H new ATOM 1522 N ARG A 99 2.218 4.484 4.129 1.00 0.00 N ATOM 1523 CA ARG A 99 1.263 4.289 5.215 1.00 0.00 C ATOM 1524 C ARG A 99 0.728 2.854 5.232 1.00 0.00 C ATOM 1525 O ARG A 99 0.148 2.388 4.255 1.00 0.00 O ATOM 1526 CB ARG A 99 0.100 5.296 5.044 1.00 0.00 C ATOM 1527 CG ARG A 99 -0.937 5.145 6.174 1.00 0.00 C ATOM 1528 CD ARG A 99 -2.040 6.188 5.989 1.00 0.00 C ATOM 1529 NE ARG A 99 -3.104 5.999 6.994 1.00 0.00 N ATOM 1530 CZ ARG A 99 -4.212 6.784 7.060 1.00 0.00 C ATOM 1531 NH1 ARG A 99 -4.390 7.794 6.229 1.00 0.00 N ATOM 1532 NH2 ARG A 99 -5.125 6.524 7.954 1.00 0.00 N ATOM 0 H ARG A 99 1.806 4.436 3.197 1.00 0.00 H new ATOM 0 HA ARG A 99 1.766 4.461 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.493 6.313 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.383 5.138 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.363 4.142 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.457 5.275 7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.620 7.190 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.460 6.108 4.986 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.003 5.243 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.688 7.999 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.230 8.369 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.003 5.739 8.594 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.961 7.106 8.014 1.00 0.00 H new ATOM 1546 N PHE A 100 0.864 2.203 6.387 1.00 0.00 N ATOM 1547 CA PHE A 100 0.330 0.859 6.600 1.00 0.00 C ATOM 1548 C PHE A 100 -0.895 0.979 7.500 1.00 0.00 C ATOM 1549 O PHE A 100 -0.793 1.503 8.614 1.00 0.00 O ATOM 1550 CB PHE A 100 1.399 -0.018 7.266 1.00 0.00 C ATOM 1551 CG PHE A 100 0.926 -1.450 7.345 1.00 0.00 C ATOM 1552 CD1 PHE A 100 1.113 -2.305 6.254 1.00 0.00 C ATOM 1553 CD2 PHE A 100 0.306 -1.921 8.507 1.00 0.00 C ATOM 1554 CE1 PHE A 100 0.682 -3.633 6.324 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -0.127 -3.249 8.577 1.00 0.00 C ATOM 1556 CZ PHE A 100 0.062 -4.105 7.485 1.00 0.00 C ATOM 0 H PHE A 100 1.346 2.591 7.198 1.00 0.00 H new ATOM 0 HA PHE A 100 0.051 0.399 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.328 0.035 6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 100 1.615 0.357 8.266 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.591 -1.939 5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.162 -1.260 9.349 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.828 -4.294 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.607 -3.614 9.473 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.271 -5.131 7.540 1.00 0.00 H new ATOM 1566 N GLN A 101 -2.072 0.583 6.981 1.00 0.00 N ATOM 1567 CA GLN A 101 -3.326 0.764 7.724 1.00 0.00 C ATOM 1568 C GLN A 101 -4.008 -0.564 8.057 1.00 0.00 C ATOM 1569 O GLN A 101 -4.262 -1.394 7.177 1.00 0.00 O ATOM 1570 CB GLN A 101 -4.284 1.665 6.919 1.00 0.00 C ATOM 1571 CG GLN A 101 -5.517 2.025 7.770 1.00 0.00 C ATOM 1572 CD GLN A 101 -6.445 2.955 6.992 1.00 0.00 C ATOM 1573 OE1 GLN A 101 -5.982 3.817 6.242 1.00 0.00 O ATOM 1574 NE2 GLN A 101 -7.738 2.832 7.127 1.00 0.00 N ATOM 0 H GLN A 101 -2.178 0.144 6.067 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.076 1.240 8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.767 2.574 6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.598 1.153 6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.052 1.117 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.201 2.507 8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.120 2.119 7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.366 3.449 6.612 1.00 0.00 H new ATOM 1583 N GLU A 102 -4.370 -0.697 9.332 1.00 0.00 N ATOM 1584 CA GLU A 102 -5.111 -1.844 9.828 1.00 0.00 C ATOM 1585 C GLU A 102 -6.093 -1.360 10.900 1.00 0.00 C ATOM 1586 O GLU A 102 -5.685 -0.731 11.884 1.00 0.00 O ATOM 1587 CB GLU A 102 -4.141 -2.893 10.414 1.00 0.00 C ATOM 1588 CG GLU A 102 -4.921 -4.133 10.920 1.00 0.00 C ATOM 1589 CD GLU A 102 -5.664 -4.842 9.769 1.00 0.00 C ATOM 1590 OE1 GLU A 102 -5.278 -4.664 8.622 1.00 0.00 O ATOM 1591 OE2 GLU A 102 -6.610 -5.554 10.062 1.00 0.00 O ATOM 0 H GLU A 102 -4.154 -0.005 10.050 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.661 -2.315 9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.420 -3.195 9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.574 -2.454 11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.230 -4.831 11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.637 -3.827 11.683 1.00 0.00 H new ATOM 1598 N GLY A 103 -7.387 -1.620 10.681 1.00 0.00 N ATOM 1599 CA GLY A 103 -8.426 -1.168 11.610 1.00 0.00 C ATOM 1600 C GLY A 103 -8.391 0.354 11.753 1.00 0.00 C ATOM 1601 O GLY A 103 -8.338 1.076 10.753 1.00 0.00 O ATOM 0 H GLY A 103 -7.737 -2.137 9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.406 -1.483 11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.279 -1.634 12.584 1.00 0.00 H new ATOM 1605 N ASP A 104 -8.410 0.831 13.003 1.00 0.00 N ATOM 1606 CA ASP A 104 -8.371 2.278 13.285 1.00 0.00 C ATOM 1607 C ASP A 104 -6.957 2.751 13.691 1.00 0.00 C ATOM 1608 O ASP A 104 -6.798 3.856 14.219 1.00 0.00 O ATOM 1609 CB ASP A 104 -9.373 2.626 14.401 1.00 0.00 C ATOM 1610 CG ASP A 104 -8.997 1.942 15.739 1.00 0.00 C ATOM 1611 OD1 ASP A 104 -7.968 1.273 15.799 1.00 0.00 O ATOM 1612 OD2 ASP A 104 -9.751 2.104 16.685 1.00 0.00 O ATOM 0 H ASP A 104 -8.452 0.242 13.835 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.645 2.796 12.366 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.403 3.707 14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -10.374 2.315 14.102 1.00 0.00 H new ATOM 1617 N TYR A 105 -5.944 1.896 13.467 1.00 0.00 N ATOM 1618 CA TYR A 105 -4.561 2.210 13.834 1.00 0.00 C ATOM 1619 C TYR A 105 -3.634 2.020 12.622 1.00 0.00 C ATOM 1620 O TYR A 105 -3.710 1.000 11.930 1.00 0.00 O ATOM 1621 CB TYR A 105 -4.123 1.296 15.001 1.00 0.00 C ATOM 1622 CG TYR A 105 -2.710 1.631 15.447 1.00 0.00 C ATOM 1623 CD1 TYR A 105 -2.480 2.725 16.289 1.00 0.00 C ATOM 1624 CD2 TYR A 105 -1.636 0.842 15.015 1.00 0.00 C ATOM 1625 CE1 TYR A 105 -1.177 3.032 16.698 1.00 0.00 C ATOM 1626 CE2 TYR A 105 -0.335 1.148 15.423 1.00 0.00 C ATOM 1627 CZ TYR A 105 -0.104 2.242 16.267 1.00 0.00 C ATOM 1628 OH TYR A 105 1.180 2.543 16.670 1.00 0.00 O ATOM 0 H TYR A 105 -6.063 0.981 13.032 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.496 3.251 14.152 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.811 1.413 15.838 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.173 0.252 14.690 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.308 3.332 16.623 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -1.814 -0.003 14.366 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.999 3.878 17.346 1.00 0.00 H new ATOM 0 HE2 TYR A 105 0.493 0.541 15.088 1.00 0.00 H new ATOM 0 HH TYR A 105 1.814 1.956 16.207 1.00 0.00 H new ATOM 1638 N TRP A 106 -2.769 3.018 12.370 1.00 0.00 N ATOM 1639 CA TRP A 106 -1.839 2.960 11.234 1.00 0.00 C ATOM 1640 C TRP A 106 -0.515 3.672 11.553 1.00 0.00 C ATOM 1641 O TRP A 106 -0.447 4.501 12.465 1.00 0.00 O ATOM 1642 CB TRP A 106 -2.494 3.577 9.970 1.00 0.00 C ATOM 1643 CG TRP A 106 -2.821 5.027 10.199 1.00 0.00 C ATOM 1644 CD1 TRP A 106 -2.019 6.064 9.858 1.00 0.00 C ATOM 1645 CD2 TRP A 106 -4.000 5.609 10.823 1.00 0.00 C ATOM 1646 NE1 TRP A 106 -2.640 7.245 10.225 1.00 0.00 N ATOM 1647 CE2 TRP A 106 -3.863 7.016 10.826 1.00 0.00 C ATOM 1648 CE3 TRP A 106 -5.167 5.054 11.379 1.00 0.00 C ATOM 1649 CZ2 TRP A 106 -4.846 7.846 11.359 1.00 0.00 C ATOM 1650 CZ3 TRP A 106 -6.161 5.889 11.920 1.00 0.00 C ATOM 1651 CH2 TRP A 106 -5.999 7.282 11.909 1.00 0.00 C ATOM 0 H TRP A 106 -2.696 3.866 12.933 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.614 1.911 11.041 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -1.819 3.481 9.120 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.402 3.029 9.720 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -1.054 5.983 9.379 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -2.243 8.172 10.071 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -5.300 3.982 11.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -4.718 8.918 11.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -7.054 5.455 12.346 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.766 7.918 12.326 1.00 0.00 H new ATOM 1662 N ARG A 107 0.516 3.353 10.770 1.00 0.00 N ATOM 1663 CA ARG A 107 1.838 3.965 10.921 1.00 0.00 C ATOM 1664 C ARG A 107 2.310 4.505 9.574 1.00 0.00 C ATOM 1665 O ARG A 107 1.966 3.944 8.526 1.00 0.00 O ATOM 1666 CB ARG A 107 2.852 2.938 11.456 1.00 0.00 C ATOM 1667 CG ARG A 107 4.076 3.668 12.088 1.00 0.00 C ATOM 1668 CD ARG A 107 3.866 3.851 13.602 1.00 0.00 C ATOM 1669 NE ARG A 107 2.999 5.015 13.873 1.00 0.00 N ATOM 1670 CZ ARG A 107 2.573 5.346 15.122 1.00 0.00 C ATOM 1671 NH1 ARG A 107 2.922 4.632 16.178 1.00 0.00 N ATOM 1672 NH2 ARG A 107 1.805 6.389 15.280 1.00 0.00 N ATOM 0 H ARG A 107 0.460 2.667 10.017 1.00 0.00 H new ATOM 0 HA ARG A 107 1.765 4.784 11.636 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.376 2.300 12.200 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.185 2.289 10.646 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.984 3.093 11.907 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.214 4.639 11.613 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.417 2.951 14.023 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.829 3.987 14.094 1.00 0.00 H new ATOM 0 HE ARG A 107 2.706 5.597 13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.522 3.815 16.066 1.00 0.00 H new ATOM 0 HH12 ARG A 107 2.591 4.898 17.105 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.530 6.947 14.472 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.480 6.646 16.212 1.00 0.00 H new ATOM 1686 N GLU A 108 3.062 5.620 9.595 1.00 0.00 N ATOM 1687 CA GLU A 108 3.525 6.249 8.348 1.00 0.00 C ATOM 1688 C GLU A 108 4.996 6.679 8.416 1.00 0.00 C ATOM 1689 O GLU A 108 5.546 6.901 9.493 1.00 0.00 O ATOM 1690 CB GLU A 108 2.636 7.460 7.994 1.00 0.00 C ATOM 1691 CG GLU A 108 2.679 8.505 9.128 1.00 0.00 C ATOM 1692 CD GLU A 108 1.753 9.687 8.809 1.00 0.00 C ATOM 1693 OE1 GLU A 108 1.660 10.056 7.647 1.00 0.00 O ATOM 1694 OE2 GLU A 108 1.151 10.205 9.736 1.00 0.00 O ATOM 0 H GLU A 108 3.357 6.097 10.447 1.00 0.00 H new ATOM 0 HA GLU A 108 3.444 5.495 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.977 7.910 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.609 7.131 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.377 8.043 10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.700 8.862 9.262 1.00 0.00 H new ATOM 1701 N THR A 109 5.605 6.806 7.233 1.00 0.00 N ATOM 1702 CA THR A 109 7.005 7.226 7.096 1.00 0.00 C ATOM 1703 C THR A 109 7.169 8.047 5.803 1.00 0.00 C ATOM 1704 O THR A 109 6.181 8.456 5.226 1.00 0.00 O ATOM 1705 CB THR A 109 7.942 5.986 7.101 1.00 0.00 C ATOM 1706 OG1 THR A 109 9.310 6.414 7.040 1.00 0.00 O ATOM 1707 CG2 THR A 109 7.608 5.060 5.915 1.00 0.00 C ATOM 0 H THR A 109 5.142 6.621 6.343 1.00 0.00 H new ATOM 0 HA THR A 109 7.283 7.854 7.942 1.00 0.00 H new ATOM 0 HB THR A 109 7.790 5.425 8.023 1.00 0.00 H new ATOM 0 HG1 THR A 109 9.824 5.968 7.745 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.272 4.195 5.930 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.574 4.725 5.995 1.00 0.00 H new ATOM 0 HG23 THR A 109 7.742 5.604 4.980 1.00 0.00 H new ATOM 1715 N SER A 110 8.425 8.280 5.368 1.00 0.00 N ATOM 1716 CA SER A 110 8.710 9.023 4.137 1.00 0.00 C ATOM 1717 C SER A 110 9.952 8.457 3.448 1.00 0.00 C ATOM 1718 O SER A 110 10.877 7.995 4.109 1.00 0.00 O ATOM 1719 CB SER A 110 8.926 10.503 4.453 1.00 0.00 C ATOM 1720 OG SER A 110 10.080 10.647 5.271 1.00 0.00 O ATOM 0 H SER A 110 9.259 7.959 5.860 1.00 0.00 H new ATOM 0 HA SER A 110 7.856 8.921 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.048 11.069 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.052 10.909 4.963 1.00 0.00 H new ATOM 0 HG SER A 110 10.221 11.595 5.473 1.00 0.00 H new ATOM 1726 N VAL A 111 9.964 8.522 2.115 1.00 0.00 N ATOM 1727 CA VAL A 111 11.086 8.021 1.309 1.00 0.00 C ATOM 1728 C VAL A 111 11.520 9.074 0.299 1.00 0.00 C ATOM 1729 O VAL A 111 10.737 9.967 -0.044 1.00 0.00 O ATOM 1730 CB VAL A 111 10.710 6.704 0.598 1.00 0.00 C ATOM 1731 CG1 VAL A 111 10.398 5.626 1.650 1.00 0.00 C ATOM 1732 CG2 VAL A 111 9.478 6.914 -0.314 1.00 0.00 C ATOM 0 H VAL A 111 9.203 8.920 1.564 1.00 0.00 H new ATOM 0 HA VAL A 111 11.923 7.813 1.976 1.00 0.00 H new ATOM 0 HB VAL A 111 11.550 6.384 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.132 4.695 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 111 11.275 5.464 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.565 5.954 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.227 5.975 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.632 7.245 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.706 7.669 -1.066 1.00 0.00 H new ATOM 1742 N LEU A 112 12.794 9.019 -0.111 1.00 0.00 N ATOM 1743 CA LEU A 112 13.344 10.046 -1.015 1.00 0.00 C ATOM 1744 C LEU A 112 13.391 9.583 -2.480 1.00 0.00 C ATOM 1745 O LEU A 112 14.130 8.667 -2.824 1.00 0.00 O ATOM 1746 CB LEU A 112 14.773 10.445 -0.545 1.00 0.00 C ATOM 1747 CG LEU A 112 14.751 11.579 0.540 1.00 0.00 C ATOM 1748 CD1 LEU A 112 14.166 12.880 -0.030 1.00 0.00 C ATOM 1749 CD2 LEU A 112 13.940 11.142 1.781 1.00 0.00 C ATOM 0 H LEU A 112 13.455 8.291 0.160 1.00 0.00 H new ATOM 0 HA LEU A 112 12.676 10.906 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.277 9.568 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.355 10.779 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 112 15.783 11.762 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 112 14.163 13.647 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 112 14.774 13.215 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.145 12.702 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.940 11.946 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.914 10.921 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.393 10.251 2.216 1.00 0.00 H new ATOM 1761 N LEU A 113 12.635 10.281 -3.345 1.00 0.00 N ATOM 1762 CA LEU A 113 12.669 10.029 -4.796 1.00 0.00 C ATOM 1763 C LEU A 113 12.718 11.345 -5.565 1.00 0.00 C ATOM 1764 O LEU A 113 11.791 12.153 -5.466 1.00 0.00 O ATOM 1765 CB LEU A 113 11.466 9.185 -5.258 1.00 0.00 C ATOM 1766 CG LEU A 113 11.443 7.826 -4.489 1.00 0.00 C ATOM 1767 CD1 LEU A 113 10.566 7.937 -3.233 1.00 0.00 C ATOM 1768 CD2 LEU A 113 10.896 6.717 -5.409 1.00 0.00 C ATOM 0 H LEU A 113 11.994 11.023 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 113 13.574 9.459 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.539 9.729 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.528 9.004 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 113 12.460 7.577 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.560 6.982 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.967 8.710 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.548 8.199 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.882 5.770 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.884 6.971 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.536 6.624 -6.287 1.00 0.00 H new ATOM 1780 N GLN A 114 13.794 11.560 -6.334 1.00 0.00 N ATOM 1781 CA GLN A 114 13.937 12.797 -7.116 1.00 0.00 C ATOM 1782 C GLN A 114 14.183 12.499 -8.587 1.00 0.00 C ATOM 1783 O GLN A 114 15.250 12.006 -8.953 1.00 0.00 O ATOM 1784 CB GLN A 114 15.084 13.655 -6.562 1.00 0.00 C ATOM 1785 CG GLN A 114 14.725 14.161 -5.160 1.00 0.00 C ATOM 1786 CD GLN A 114 14.881 13.039 -4.143 1.00 0.00 C ATOM 1787 OE1 GLN A 114 15.919 12.381 -4.098 1.00 0.00 O ATOM 1788 NE2 GLN A 114 13.901 12.770 -3.330 1.00 0.00 N ATOM 0 H GLN A 114 14.569 10.904 -6.432 1.00 0.00 H new ATOM 0 HA GLN A 114 13.001 13.349 -7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 114 16.002 13.069 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 114 15.272 14.499 -7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 114 15.369 14.998 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 114 13.700 14.531 -5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.041 13.317 -3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.993 12.012 -2.654 1.00 0.00 H new ATOM 1797 N VAL A 115 13.191 12.822 -9.431 1.00 0.00 N ATOM 1798 CA VAL A 115 13.311 12.589 -10.876 1.00 0.00 C ATOM 1799 C VAL A 115 14.066 13.744 -11.532 1.00 0.00 C ATOM 1800 O VAL A 115 13.684 14.911 -11.382 1.00 0.00 O ATOM 1801 CB VAL A 115 11.905 12.427 -11.527 1.00 0.00 C ATOM 1802 CG1 VAL A 115 12.034 12.121 -13.038 1.00 0.00 C ATOM 1803 CG2 VAL A 115 11.126 11.290 -10.824 1.00 0.00 C ATOM 0 H VAL A 115 12.307 13.240 -9.141 1.00 0.00 H new ATOM 0 HA VAL A 115 13.869 11.666 -11.032 1.00 0.00 H new ATOM 0 HB VAL A 115 11.360 13.363 -11.409 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.041 12.012 -13.473 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.558 12.939 -13.532 1.00 0.00 H new ATOM 0 HG13 VAL A 115 12.594 11.196 -13.175 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.144 11.183 -11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.678 10.355 -10.924 1.00 0.00 H new ATOM 0 HG23 VAL A 115 11.007 11.530 -9.767 1.00 0.00 H new ATOM 1813 N ALA A 116 15.126 13.404 -12.272 1.00 0.00 N ATOM 1814 CA ALA A 116 15.924 14.403 -12.970 1.00 0.00 C ATOM 1815 C ALA A 116 15.111 15.025 -14.099 1.00 0.00 C ATOM 1816 O ALA A 116 14.364 14.324 -14.796 1.00 0.00 O ATOM 1817 CB ALA A 116 17.189 13.759 -13.545 1.00 0.00 C ATOM 0 H ALA A 116 15.447 12.444 -12.400 1.00 0.00 H new ATOM 0 HA ALA A 116 16.208 15.180 -12.261 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.778 14.515 -14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.780 13.332 -12.735 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.910 12.971 -14.245 1.00 0.00 H new ATOM 1823 N ALA A 117 15.247 16.344 -14.266 1.00 0.00 N ATOM 1824 CA ALA A 117 14.513 17.068 -15.302 1.00 0.00 C ATOM 1825 C ALA A 117 15.216 16.949 -16.650 1.00 0.00 C ATOM 1826 O ALA A 117 16.429 16.817 -16.654 1.00 0.00 O ATOM 1827 CB ALA A 117 14.370 18.542 -14.919 1.00 0.00 C ATOM 1828 OXT ALA A 117 14.532 16.993 -17.659 1.00 0.00 O ATOM 0 H ALA A 117 15.858 16.929 -13.697 1.00 0.00 H new ATOM 0 HA ALA A 117 13.522 16.623 -15.388 1.00 0.00 H new ATOM 0 HB1 ALA A 117 13.821 19.069 -15.700 1.00 0.00 H new ATOM 0 HB2 ALA A 117 13.828 18.622 -13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 117 15.359 18.986 -14.807 1.00 0.00 H new TER 1834 ALA A 117