USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 90 LYS NZ :NH3+ -167:sc= 1.19 (180deg=1.13) USER MOD Set 1.2: A 93 MET CE :methyl 169:sc= -0.0567 (180deg=-0.262) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 163:sc= 1.86 (180deg=1.4) USER MOD Set 2.2: A 67 ASN : amide:sc= 1.68 K(o=3.5,f=-8.4!) USER MOD Set 3.1: A 57 SER OG : rot -98:sc= 0.114 USER MOD Set 3.2: A 59 SER OG : rot 180:sc= 0.214 USER MOD Set 4.1: A 20 SER OG : rot 40:sc= 1.38 USER MOD Set 4.2: A 46 CYS SG : rot -58:sc= 1.41 USER MOD Set 5.1: A 31 GLN : amide:sc= 0 K(o=0.34,f=-0.45) USER MOD Set 5.2: A 35 SER OG : rot 150:sc= 0.341 USER MOD Single : A 0 MET CE :methyl 175:sc= -0.0446 (180deg=-0.0673) USER MOD Single : A 0 MET N :NH3+ 148:sc= 0.0713 (180deg=-0.0247) USER MOD Single : A 6 THR OG1 : rot -78:sc= 0.863 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.056 X(o=0.056,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.991 K(o=0.99,f=-0.047) USER MOD Single : A 22 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.86) USER MOD Single : A 26 GLN : amide:sc= 0.0717 K(o=0.072,f=-3.2!) USER MOD Single : A 28 TYR OH : rot -177:sc= 1.29 USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= 0.523 (180deg=0.201) USER MOD Single : A 33 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.0059) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.018 (180deg=-0.183) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.646 K(o=0.65,f=-2.8!) USER MOD Single : A 51 CYS SG : rot -80:sc= -0.0465 USER MOD Single : A 53 GLN : amide:sc= 0.419 K(o=0.42,f=-0.58) USER MOD Single : A 60 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.97) USER MOD Single : A 62 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.079) USER MOD Single : A 66 SER OG : rot -140:sc= 1.14 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.15 K(o=-0.15,f=-6.3!) USER MOD Single : A 80 ASN : amide:sc=-0.00351 K(o=-0.0035,f=-0.85) USER MOD Single : A 83 LYS NZ :NH3+ 139:sc= 1.08 (180deg=0.0153) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.623 K(o=0.62,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 10.735 17.895 -14.338 1.00 0.00 N ATOM 2 CA MET A 0 9.846 16.961 -13.639 1.00 0.00 C ATOM 3 C MET A 0 9.989 17.165 -12.134 1.00 0.00 C ATOM 4 O MET A 0 10.993 17.721 -11.675 1.00 0.00 O ATOM 5 CB MET A 0 10.063 15.498 -14.075 1.00 0.00 C ATOM 6 CG MET A 0 11.522 15.008 -14.084 1.00 0.00 C ATOM 7 SD MET A 0 12.397 14.904 -12.508 1.00 0.00 S ATOM 8 CE MET A 0 11.524 13.529 -11.745 1.00 0.00 C ATOM 0 H1 MET A 0 11.068 17.461 -15.222 1.00 0.00 H new ATOM 0 H2 MET A 0 10.217 18.770 -14.556 1.00 0.00 H new ATOM 0 H3 MET A 0 11.551 18.117 -13.732 1.00 0.00 H new ATOM 0 HA MET A 0 8.815 17.180 -13.918 1.00 0.00 H new ATOM 0 HB2 MET A 0 9.487 14.852 -13.412 1.00 0.00 H new ATOM 0 HB3 MET A 0 9.652 15.373 -15.077 1.00 0.00 H new ATOM 0 HG2 MET A 0 11.538 14.018 -14.540 1.00 0.00 H new ATOM 0 HG3 MET A 0 12.091 15.669 -14.738 1.00 0.00 H new ATOM 0 HE1 MET A 0 12.001 13.276 -10.798 1.00 0.00 H new ATOM 0 HE2 MET A 0 10.487 13.811 -11.565 1.00 0.00 H new ATOM 0 HE3 MET A 0 11.555 12.665 -12.409 1.00 0.00 H new ATOM 20 N ALA A 1 9.002 16.729 -11.352 1.00 0.00 N ATOM 21 CA ALA A 1 9.033 16.798 -9.901 1.00 0.00 C ATOM 22 C ALA A 1 8.001 15.840 -9.322 1.00 0.00 C ATOM 23 O ALA A 1 7.132 15.359 -10.050 1.00 0.00 O ATOM 24 CB ALA A 1 8.760 18.228 -9.428 1.00 0.00 C ATOM 0 H ALA A 1 8.147 16.312 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 1 10.024 16.507 -9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.787 18.262 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.521 18.896 -9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.777 18.545 -9.777 1.00 0.00 H new ATOM 30 N ARG A 2 8.093 15.599 -8.012 1.00 0.00 N ATOM 31 CA ARG A 2 7.196 14.735 -7.258 1.00 0.00 C ATOM 32 C ARG A 2 7.102 13.339 -7.877 1.00 0.00 C ATOM 33 O ARG A 2 6.036 12.934 -8.339 1.00 0.00 O ATOM 34 CB ARG A 2 5.809 15.380 -7.125 1.00 0.00 C ATOM 35 CG ARG A 2 5.768 16.524 -6.108 1.00 0.00 C ATOM 36 CD ARG A 2 5.427 15.992 -4.703 1.00 0.00 C ATOM 37 NE ARG A 2 4.980 17.062 -3.800 1.00 0.00 N ATOM 38 CZ ARG A 2 3.795 17.690 -3.882 1.00 0.00 C ATOM 39 NH1 ARG A 2 2.926 17.398 -4.850 1.00 0.00 N ATOM 40 NH2 ARG A 2 3.466 18.627 -3.001 1.00 0.00 N ATOM 0 H ARG A 2 8.821 16.017 -7.432 1.00 0.00 H new ATOM 0 HA ARG A 2 7.613 14.614 -6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.497 15.757 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.088 14.617 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.732 17.032 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.026 17.262 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.646 15.235 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.304 15.503 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 2 5.616 17.349 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.156 16.687 -5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.031 17.885 -4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.115 18.875 -2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.564 19.099 -3.071 1.00 0.00 H new ATOM 54 N ILE A 3 8.187 12.573 -7.816 1.00 0.00 N ATOM 55 CA ILE A 3 8.142 11.149 -8.128 1.00 0.00 C ATOM 56 C ILE A 3 7.435 10.401 -6.982 1.00 0.00 C ATOM 57 O ILE A 3 8.080 9.738 -6.170 1.00 0.00 O ATOM 58 CB ILE A 3 9.558 10.625 -8.437 1.00 0.00 C ATOM 59 CG1 ILE A 3 10.562 10.877 -7.299 1.00 0.00 C ATOM 60 CG2 ILE A 3 10.090 11.289 -9.711 1.00 0.00 C ATOM 61 CD1 ILE A 3 11.326 9.612 -6.928 1.00 0.00 C ATOM 0 H ILE A 3 9.111 12.916 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 3 7.557 10.969 -9.030 1.00 0.00 H new ATOM 0 HB ILE A 3 9.465 9.546 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 3 11.267 11.652 -7.601 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.032 11.252 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.091 10.915 -9.925 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.429 11.056 -10.546 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.128 12.369 -9.570 1.00 0.00 H new ATOM 0 HD11 ILE A 3 12.025 9.832 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 3 10.624 8.845 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 3 11.877 9.252 -7.797 1.00 0.00 H new ATOM 73 N ASP A 4 6.116 10.592 -6.872 1.00 0.00 N ATOM 74 CA ASP A 4 5.188 9.961 -5.949 1.00 0.00 C ATOM 75 C ASP A 4 5.781 9.638 -4.573 1.00 0.00 C ATOM 76 O ASP A 4 6.074 8.474 -4.284 1.00 0.00 O ATOM 77 CB ASP A 4 4.507 8.771 -6.630 1.00 0.00 C ATOM 78 CG ASP A 4 3.299 9.220 -7.414 1.00 0.00 C ATOM 79 OD1 ASP A 4 2.249 9.458 -6.783 1.00 0.00 O ATOM 80 OD2 ASP A 4 3.413 9.377 -8.645 1.00 0.00 O ATOM 0 H ASP A 4 5.636 11.252 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 4 4.419 10.695 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.213 8.274 -7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.207 8.040 -5.879 1.00 0.00 H new ATOM 85 N PRO A 5 5.953 10.641 -3.694 1.00 0.00 N ATOM 86 CA PRO A 5 6.403 10.412 -2.330 1.00 0.00 C ATOM 87 C PRO A 5 5.407 9.507 -1.598 1.00 0.00 C ATOM 88 O PRO A 5 4.278 9.927 -1.331 1.00 0.00 O ATOM 89 CB PRO A 5 6.507 11.803 -1.699 1.00 0.00 C ATOM 90 CG PRO A 5 5.537 12.655 -2.517 1.00 0.00 C ATOM 91 CD PRO A 5 5.665 12.052 -3.913 1.00 0.00 C ATOM 0 HA PRO A 5 7.364 9.900 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.230 11.785 -0.645 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.524 12.191 -1.755 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.518 12.587 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.812 13.710 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.746 12.182 -4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.463 12.534 -4.479 1.00 0.00 H new ATOM 99 N THR A 6 5.807 8.268 -1.305 1.00 0.00 N ATOM 100 CA THR A 6 4.946 7.223 -0.759 1.00 0.00 C ATOM 101 C THR A 6 5.622 6.469 0.403 1.00 0.00 C ATOM 102 O THR A 6 5.186 5.379 0.776 1.00 0.00 O ATOM 103 CB THR A 6 4.547 6.290 -1.918 1.00 0.00 C ATOM 104 OG1 THR A 6 5.650 6.085 -2.781 1.00 0.00 O ATOM 105 CG2 THR A 6 3.394 6.880 -2.738 1.00 0.00 C ATOM 0 H THR A 6 6.768 7.957 -1.446 1.00 0.00 H new ATOM 0 HA THR A 6 4.049 7.665 -0.325 1.00 0.00 H new ATOM 0 HB THR A 6 4.227 5.345 -1.480 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.760 6.866 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.137 6.197 -3.548 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.526 7.023 -2.095 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.698 7.840 -3.156 1.00 0.00 H new ATOM 113 N LYS A 7 6.670 7.035 1.003 1.00 0.00 N ATOM 114 CA LYS A 7 7.383 6.488 2.144 1.00 0.00 C ATOM 115 C LYS A 7 6.799 7.133 3.394 1.00 0.00 C ATOM 116 O LYS A 7 7.208 8.236 3.753 1.00 0.00 O ATOM 117 CB LYS A 7 8.887 6.767 1.976 1.00 0.00 C ATOM 118 CG LYS A 7 9.831 6.189 3.050 1.00 0.00 C ATOM 119 CD LYS A 7 10.015 7.079 4.297 1.00 0.00 C ATOM 120 CE LYS A 7 11.230 6.610 5.119 1.00 0.00 C ATOM 121 NZ LYS A 7 11.356 7.287 6.431 1.00 0.00 N ATOM 0 H LYS A 7 7.057 7.925 0.689 1.00 0.00 H new ATOM 0 HA LYS A 7 7.270 5.407 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.198 6.377 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.030 7.847 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.447 5.219 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.808 6.014 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.152 8.117 3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.116 7.043 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.156 5.535 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.138 6.784 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.193 6.924 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.457 8.312 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.506 7.101 7.001 1.00 0.00 H new ATOM 135 N LYS A 8 5.866 6.438 4.042 1.00 0.00 N ATOM 136 CA LYS A 8 5.374 6.741 5.383 1.00 0.00 C ATOM 137 C LYS A 8 4.481 7.992 5.383 1.00 0.00 C ATOM 138 O LYS A 8 4.734 8.947 4.648 1.00 0.00 O ATOM 139 CB LYS A 8 6.575 6.840 6.347 1.00 0.00 C ATOM 140 CG LYS A 8 6.333 6.376 7.789 1.00 0.00 C ATOM 141 CD LYS A 8 5.723 7.447 8.706 1.00 0.00 C ATOM 142 CE LYS A 8 5.598 6.850 10.115 1.00 0.00 C ATOM 143 NZ LYS A 8 5.306 7.847 11.158 1.00 0.00 N ATOM 0 H LYS A 8 5.416 5.619 3.632 1.00 0.00 H new ATOM 0 HA LYS A 8 4.731 5.934 5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.395 6.253 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.907 7.878 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.672 5.509 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.280 6.046 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.352 8.337 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.746 7.755 8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.809 6.098 10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.526 6.336 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.236 7.373 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.070 8.552 11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.406 8.321 10.943 1.00 0.00 H new ATOM 157 N GLY A 9 3.424 7.987 6.195 1.00 0.00 N ATOM 158 CA GLY A 9 2.509 9.106 6.315 1.00 0.00 C ATOM 159 C GLY A 9 1.340 8.874 5.368 1.00 0.00 C ATOM 160 O GLY A 9 1.509 8.906 4.149 1.00 0.00 O ATOM 0 H GLY A 9 3.182 7.195 6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.153 9.197 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.016 10.039 6.070 1.00 0.00 H new ATOM 164 N ARG A 10 0.173 8.533 5.918 1.00 0.00 N ATOM 165 CA ARG A 10 -1.036 8.092 5.217 1.00 0.00 C ATOM 166 C ARG A 10 -0.836 6.682 4.655 1.00 0.00 C ATOM 167 O ARG A 10 -1.643 5.784 4.895 1.00 0.00 O ATOM 168 CB ARG A 10 -1.539 9.085 4.139 1.00 0.00 C ATOM 169 CG ARG A 10 -2.694 9.977 4.618 1.00 0.00 C ATOM 170 CD ARG A 10 -2.192 11.248 5.313 1.00 0.00 C ATOM 171 NE ARG A 10 -2.002 12.350 4.352 1.00 0.00 N ATOM 172 CZ ARG A 10 -1.468 13.543 4.651 1.00 0.00 C ATOM 173 NH1 ARG A 10 -0.733 13.712 5.746 1.00 0.00 N ATOM 174 NH2 ARG A 10 -1.687 14.575 3.846 1.00 0.00 N ATOM 0 H ARG A 10 0.038 8.559 6.929 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.835 8.066 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.709 9.717 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.863 8.524 3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.316 10.252 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.325 9.414 5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.906 11.551 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.250 11.039 5.820 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.299 12.193 3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.567 12.926 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.335 14.627 5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.257 14.457 3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.285 15.487 4.065 1.00 0.00 H new ATOM 188 N ARG A 11 0.261 6.452 3.938 1.00 0.00 N ATOM 189 CA ARG A 11 0.612 5.140 3.454 1.00 0.00 C ATOM 190 C ARG A 11 0.627 4.172 4.629 1.00 0.00 C ATOM 191 O ARG A 11 0.940 4.538 5.759 1.00 0.00 O ATOM 192 CB ARG A 11 1.980 5.199 2.772 1.00 0.00 C ATOM 193 CG ARG A 11 2.334 3.922 1.999 1.00 0.00 C ATOM 194 CD ARG A 11 3.475 3.099 2.630 1.00 0.00 C ATOM 195 NE ARG A 11 4.551 2.909 1.645 1.00 0.00 N ATOM 196 CZ ARG A 11 4.401 2.144 0.557 1.00 0.00 C ATOM 197 NH1 ARG A 11 3.657 1.042 0.622 1.00 0.00 N ATOM 198 NH2 ARG A 11 4.951 2.537 -0.587 1.00 0.00 N ATOM 0 H ARG A 11 0.927 7.180 3.681 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.118 4.794 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.999 6.046 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.746 5.382 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.445 3.295 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.616 4.193 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.862 3.611 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.098 2.132 2.963 1.00 0.00 H new ATOM 0 HE ARG A 11 5.444 3.377 1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.204 0.784 1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.540 0.456 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.478 3.410 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.847 1.966 -1.426 1.00 0.00 H new ATOM 212 N ASN A 12 0.237 2.936 4.356 1.00 0.00 N ATOM 213 CA ASN A 12 0.189 1.863 5.343 1.00 0.00 C ATOM 214 C ASN A 12 -0.839 2.104 6.454 1.00 0.00 C ATOM 215 O ASN A 12 -0.837 1.381 7.444 1.00 0.00 O ATOM 216 CB ASN A 12 1.585 1.622 5.931 1.00 0.00 C ATOM 217 CG ASN A 12 1.826 0.150 6.230 1.00 0.00 C ATOM 218 OD1 ASN A 12 2.388 -0.551 5.391 1.00 0.00 O ATOM 219 ND2 ASN A 12 1.449 -0.330 7.400 1.00 0.00 N ATOM 0 H ASN A 12 -0.061 2.643 3.425 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.143 0.967 4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.341 1.979 5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.699 2.202 6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.622 -1.309 7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.985 0.278 8.075 1.00 0.00 H new ATOM 226 N ARG A 13 -1.745 3.079 6.292 1.00 0.00 N ATOM 227 CA ARG A 13 -2.912 3.214 7.162 1.00 0.00 C ATOM 228 C ARG A 13 -3.708 1.903 7.175 1.00 0.00 C ATOM 229 O ARG A 13 -4.211 1.448 8.197 1.00 0.00 O ATOM 230 CB ARG A 13 -3.786 4.393 6.688 1.00 0.00 C ATOM 231 CG ARG A 13 -4.354 4.249 5.261 1.00 0.00 C ATOM 232 CD ARG A 13 -4.938 5.568 4.729 1.00 0.00 C ATOM 233 NE ARG A 13 -6.057 5.337 3.796 1.00 0.00 N ATOM 234 CZ ARG A 13 -6.008 4.845 2.546 1.00 0.00 C ATOM 235 NH1 ARG A 13 -4.866 4.761 1.870 1.00 0.00 N ATOM 236 NH2 ARG A 13 -7.140 4.427 1.988 1.00 0.00 N ATOM 0 H ARG A 13 -1.687 3.787 5.560 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.585 3.422 8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.617 4.513 7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.195 5.307 6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.565 3.907 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.130 3.483 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.282 6.176 5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.155 6.134 4.224 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.985 5.581 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.995 5.075 2.299 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.861 4.383 0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.016 4.484 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.132 4.049 1.041 1.00 0.00 H new ATOM 250 N PHE A 14 -3.847 1.324 5.987 1.00 0.00 N ATOM 251 CA PHE A 14 -4.517 0.061 5.756 1.00 0.00 C ATOM 252 C PHE A 14 -3.685 -1.085 6.346 1.00 0.00 C ATOM 253 O PHE A 14 -2.559 -1.304 5.901 1.00 0.00 O ATOM 254 CB PHE A 14 -4.702 -0.100 4.243 1.00 0.00 C ATOM 255 CG PHE A 14 -5.090 -1.495 3.822 1.00 0.00 C ATOM 256 CD1 PHE A 14 -6.393 -1.965 4.062 1.00 0.00 C ATOM 257 CD2 PHE A 14 -4.099 -2.372 3.344 1.00 0.00 C ATOM 258 CE1 PHE A 14 -6.703 -3.311 3.813 1.00 0.00 C ATOM 259 CE2 PHE A 14 -4.425 -3.703 3.054 1.00 0.00 C ATOM 260 CZ PHE A 14 -5.721 -4.171 3.300 1.00 0.00 C ATOM 0 H PHE A 14 -3.481 1.741 5.131 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.491 0.039 6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.467 0.598 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.774 0.176 3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.152 -1.294 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.088 -2.019 3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.696 -3.684 4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.679 -4.366 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.967 -5.202 3.093 1.00 0.00 H new ATOM 270 N LYS A 15 -4.252 -1.815 7.311 1.00 0.00 N ATOM 271 CA LYS A 15 -3.679 -3.030 7.880 1.00 0.00 C ATOM 272 C LYS A 15 -4.316 -4.255 7.221 1.00 0.00 C ATOM 273 O LYS A 15 -5.530 -4.256 6.998 1.00 0.00 O ATOM 274 CB LYS A 15 -3.881 -3.036 9.408 1.00 0.00 C ATOM 275 CG LYS A 15 -5.345 -3.228 9.849 1.00 0.00 C ATOM 276 CD LYS A 15 -5.667 -4.678 10.239 1.00 0.00 C ATOM 277 CE LYS A 15 -7.164 -4.955 10.043 1.00 0.00 C ATOM 278 NZ LYS A 15 -7.517 -5.087 8.616 1.00 0.00 N ATOM 0 H LYS A 15 -5.149 -1.566 7.728 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.607 -3.062 7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.275 -3.832 9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.510 -2.096 9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.552 -2.575 10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.006 -2.920 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.079 -5.366 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.389 -4.854 11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.436 -5.869 10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.744 -4.146 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.445 -5.549 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.557 -4.144 8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.798 -5.662 8.132 1.00 0.00 H new ATOM 292 N TRP A 16 -3.517 -5.299 6.983 1.00 0.00 N ATOM 293 CA TRP A 16 -3.948 -6.563 6.391 1.00 0.00 C ATOM 294 C TRP A 16 -4.701 -7.382 7.449 1.00 0.00 C ATOM 295 O TRP A 16 -5.790 -6.987 7.870 1.00 0.00 O ATOM 296 CB TRP A 16 -2.706 -7.280 5.817 1.00 0.00 C ATOM 297 CG TRP A 16 -2.110 -6.620 4.605 1.00 0.00 C ATOM 298 CD1 TRP A 16 -1.531 -5.398 4.564 1.00 0.00 C ATOM 299 CD2 TRP A 16 -2.117 -7.094 3.224 1.00 0.00 C ATOM 300 NE1 TRP A 16 -1.161 -5.094 3.271 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.547 -6.083 2.396 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.562 -8.265 2.579 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.476 -6.200 1.003 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.502 -8.395 1.181 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.011 -7.342 0.394 1.00 0.00 C ATOM 0 H TRP A 16 -2.522 -5.285 7.205 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.643 -6.412 5.565 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.944 -7.339 6.595 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.979 -8.304 5.560 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.381 -4.755 5.419 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.665 -4.245 2.998 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.957 -9.078 3.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.017 -5.424 0.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -2.835 -9.308 0.711 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.046 -7.412 -0.683 1.00 0.00 H new ATOM 316 N GLY A 17 -4.090 -8.435 7.982 1.00 0.00 N ATOM 317 CA GLY A 17 -4.682 -9.316 8.977 1.00 0.00 C ATOM 318 C GLY A 17 -3.807 -10.561 9.079 1.00 0.00 C ATOM 319 O GLY A 17 -2.864 -10.690 8.294 1.00 0.00 O ATOM 0 H GLY A 17 -3.141 -8.705 7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.745 -8.814 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.699 -9.586 8.691 1.00 0.00 H new ATOM 323 N PRO A 18 -4.055 -11.468 10.029 1.00 0.00 N ATOM 324 CA PRO A 18 -3.418 -12.770 9.998 1.00 0.00 C ATOM 325 C PRO A 18 -3.972 -13.536 8.793 1.00 0.00 C ATOM 326 O PRO A 18 -5.028 -13.181 8.284 1.00 0.00 O ATOM 327 CB PRO A 18 -3.815 -13.432 11.319 1.00 0.00 C ATOM 328 CG PRO A 18 -5.200 -12.839 11.594 1.00 0.00 C ATOM 329 CD PRO A 18 -5.095 -11.414 11.042 1.00 0.00 C ATOM 0 HA PRO A 18 -2.333 -12.734 9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.850 -14.518 11.232 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.110 -13.198 12.116 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.986 -13.406 11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.433 -12.841 12.659 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.043 -11.087 10.615 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.840 -10.705 11.830 1.00 0.00 H new ATOM 337 N ALA A 19 -3.238 -14.547 8.326 1.00 0.00 N ATOM 338 CA ALA A 19 -3.498 -15.465 7.230 1.00 0.00 C ATOM 339 C ALA A 19 -3.281 -14.750 5.906 1.00 0.00 C ATOM 340 O ALA A 19 -2.408 -15.119 5.130 1.00 0.00 O ATOM 341 CB ALA A 19 -4.869 -16.102 7.376 1.00 0.00 C ATOM 0 H ALA A 19 -2.342 -14.762 8.763 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.792 -16.295 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.043 -16.786 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.916 -16.653 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.633 -15.325 7.373 1.00 0.00 H new ATOM 347 N SER A 20 -3.982 -13.638 5.759 1.00 0.00 N ATOM 348 CA SER A 20 -3.785 -12.578 4.783 1.00 0.00 C ATOM 349 C SER A 20 -2.280 -12.417 4.503 1.00 0.00 C ATOM 350 O SER A 20 -1.776 -12.630 3.400 1.00 0.00 O ATOM 351 CB SER A 20 -4.378 -11.312 5.436 1.00 0.00 C ATOM 352 OG SER A 20 -4.620 -10.235 4.564 1.00 0.00 O ATOM 0 H SER A 20 -4.772 -13.436 6.372 1.00 0.00 H new ATOM 0 HA SER A 20 -4.265 -12.784 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.316 -11.581 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.698 -10.976 6.219 1.00 0.00 H new ATOM 0 HG SER A 20 -4.981 -10.574 3.718 1.00 0.00 H new ATOM 358 N GLN A 21 -1.527 -12.088 5.554 1.00 0.00 N ATOM 359 CA GLN A 21 -0.109 -11.806 5.440 1.00 0.00 C ATOM 360 C GLN A 21 0.726 -13.081 5.245 1.00 0.00 C ATOM 361 O GLN A 21 1.818 -13.023 4.686 1.00 0.00 O ATOM 362 CB GLN A 21 0.319 -10.940 6.631 1.00 0.00 C ATOM 363 CG GLN A 21 0.275 -11.672 7.972 1.00 0.00 C ATOM 364 CD GLN A 21 0.471 -10.708 9.136 1.00 0.00 C ATOM 365 OE1 GLN A 21 1.464 -10.758 9.848 1.00 0.00 O ATOM 366 NE2 GLN A 21 -0.489 -9.816 9.337 1.00 0.00 N ATOM 0 H GLN A 21 -1.890 -12.012 6.504 1.00 0.00 H new ATOM 0 HA GLN A 21 0.084 -11.234 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.332 -10.577 6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -0.329 -10.065 6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.681 -12.184 8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.051 -12.437 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.306 -9.799 8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.411 -9.147 10.103 1.00 0.00 H new ATOM 375 N GLN A 22 0.230 -14.240 5.689 1.00 0.00 N ATOM 376 CA GLN A 22 0.910 -15.500 5.415 1.00 0.00 C ATOM 377 C GLN A 22 0.869 -15.753 3.908 1.00 0.00 C ATOM 378 O GLN A 22 1.861 -16.133 3.298 1.00 0.00 O ATOM 379 CB GLN A 22 0.279 -16.650 6.218 1.00 0.00 C ATOM 380 CG GLN A 22 1.086 -17.953 6.106 1.00 0.00 C ATOM 381 CD GLN A 22 2.466 -17.829 6.743 1.00 0.00 C ATOM 382 OE1 GLN A 22 3.426 -17.443 6.090 1.00 0.00 O ATOM 383 NE2 GLN A 22 2.580 -18.122 8.033 1.00 0.00 N ATOM 0 H GLN A 22 -0.629 -14.328 6.232 1.00 0.00 H new ATOM 0 HA GLN A 22 1.951 -15.444 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.205 -16.360 7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.737 -16.823 5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.536 -18.762 6.587 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.195 -18.222 5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.766 -18.442 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.482 -18.027 8.500 1.00 0.00 H new ATOM 392 N ILE A 23 -0.279 -15.508 3.293 1.00 0.00 N ATOM 393 CA ILE A 23 -0.440 -15.641 1.860 1.00 0.00 C ATOM 394 C ILE A 23 0.480 -14.666 1.124 1.00 0.00 C ATOM 395 O ILE A 23 1.117 -15.049 0.145 1.00 0.00 O ATOM 396 CB ILE A 23 -1.937 -15.550 1.533 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.468 -16.986 1.676 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.227 -14.958 0.153 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.985 -17.060 1.709 1.00 0.00 C ATOM 0 H ILE A 23 -1.125 -15.211 3.779 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.116 -16.616 1.495 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.438 -14.860 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.099 -17.588 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.069 -17.425 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.304 -14.924 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.820 -13.948 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.764 -15.579 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.296 -18.100 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.359 -16.484 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.390 -16.649 0.784 1.00 0.00 H new ATOM 411 N LEU A 24 0.638 -13.436 1.619 1.00 0.00 N ATOM 412 CA LEU A 24 1.695 -12.575 1.098 1.00 0.00 C ATOM 413 C LEU A 24 3.059 -13.266 1.164 1.00 0.00 C ATOM 414 O LEU A 24 3.800 -13.208 0.189 1.00 0.00 O ATOM 415 CB LEU A 24 1.756 -11.225 1.814 1.00 0.00 C ATOM 416 CG LEU A 24 0.681 -10.226 1.368 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.764 -9.045 2.335 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.928 -9.727 -0.064 1.00 0.00 C ATOM 0 H LEU A 24 0.066 -13.026 2.357 1.00 0.00 H new ATOM 0 HA LEU A 24 1.446 -12.384 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.659 -11.391 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.738 -10.783 1.648 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.299 -10.703 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.017 -8.299 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.577 -9.393 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.757 -8.600 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.146 -9.021 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.898 -9.232 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.916 -10.573 -0.751 1.00 0.00 H new ATOM 430 N PHE A 25 3.424 -13.902 2.284 1.00 0.00 N ATOM 431 CA PHE A 25 4.643 -14.710 2.296 1.00 0.00 C ATOM 432 C PHE A 25 4.622 -15.754 1.177 1.00 0.00 C ATOM 433 O PHE A 25 5.599 -15.827 0.435 1.00 0.00 O ATOM 434 CB PHE A 25 4.950 -15.362 3.656 1.00 0.00 C ATOM 435 CG PHE A 25 5.592 -14.434 4.668 1.00 0.00 C ATOM 436 CD1 PHE A 25 6.963 -14.135 4.561 1.00 0.00 C ATOM 437 CD2 PHE A 25 4.843 -13.901 5.733 1.00 0.00 C ATOM 438 CE1 PHE A 25 7.577 -13.299 5.509 1.00 0.00 C ATOM 439 CE2 PHE A 25 5.451 -13.042 6.664 1.00 0.00 C ATOM 440 CZ PHE A 25 6.821 -12.747 6.557 1.00 0.00 C ATOM 0 H PHE A 25 2.911 -13.874 3.165 1.00 0.00 H new ATOM 0 HA PHE A 25 5.460 -14.012 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.022 -15.751 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.609 -16.215 3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.544 -14.548 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.798 -14.153 5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.632 -13.080 5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.866 -12.609 7.462 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.292 -12.097 7.279 1.00 0.00 H new ATOM 450 N GLN A 26 3.548 -16.546 1.039 1.00 0.00 N ATOM 451 CA GLN A 26 3.556 -17.644 0.072 1.00 0.00 C ATOM 452 C GLN A 26 3.869 -17.059 -1.308 1.00 0.00 C ATOM 453 O GLN A 26 4.772 -17.502 -2.016 1.00 0.00 O ATOM 454 CB GLN A 26 2.300 -18.548 0.120 1.00 0.00 C ATOM 455 CG GLN A 26 1.176 -18.266 -0.881 1.00 0.00 C ATOM 456 CD GLN A 26 0.381 -19.536 -1.190 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.960 -20.531 -1.625 1.00 0.00 O ATOM 458 NE2 GLN A 26 -0.930 -19.541 -1.010 1.00 0.00 N ATOM 0 H GLN A 26 2.684 -16.448 1.573 1.00 0.00 H new ATOM 0 HA GLN A 26 4.343 -18.349 0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.624 -19.579 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.879 -18.482 1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.508 -17.505 -0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.598 -17.864 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.398 -18.710 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.472 -20.376 -1.232 1.00 0.00 H new ATOM 467 N ALA A 27 3.116 -16.028 -1.679 1.00 0.00 N ATOM 468 CA ALA A 27 3.206 -15.433 -2.992 1.00 0.00 C ATOM 469 C ALA A 27 4.538 -14.720 -3.177 1.00 0.00 C ATOM 470 O ALA A 27 5.067 -14.710 -4.282 1.00 0.00 O ATOM 471 CB ALA A 27 2.049 -14.467 -3.188 1.00 0.00 C ATOM 0 H ALA A 27 2.427 -15.586 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 27 3.147 -16.221 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.115 -14.017 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.106 -15.006 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.095 -13.685 -2.430 1.00 0.00 H new ATOM 477 N TYR A 28 5.091 -14.106 -2.130 1.00 0.00 N ATOM 478 CA TYR A 28 6.396 -13.478 -2.243 1.00 0.00 C ATOM 479 C TYR A 28 7.445 -14.543 -2.545 1.00 0.00 C ATOM 480 O TYR A 28 8.255 -14.391 -3.457 1.00 0.00 O ATOM 481 CB TYR A 28 6.752 -12.673 -0.984 1.00 0.00 C ATOM 482 CG TYR A 28 7.912 -11.722 -1.209 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.751 -10.678 -2.133 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.168 -11.928 -0.605 1.00 0.00 C ATOM 485 CE1 TYR A 28 8.841 -9.883 -2.505 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.241 -11.065 -0.907 1.00 0.00 C ATOM 487 CZ TYR A 28 10.072 -10.046 -1.861 1.00 0.00 C ATOM 488 OH TYR A 28 11.102 -9.242 -2.246 1.00 0.00 O ATOM 0 H TYR A 28 4.658 -14.033 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 28 6.371 -12.764 -3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.879 -12.106 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.002 -13.361 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.778 -10.487 -2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.308 -12.745 0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.732 -9.146 -3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.190 -11.186 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 28 11.913 -9.491 -1.755 1.00 0.00 H new ATOM 498 N GLU A 29 7.424 -15.645 -1.801 1.00 0.00 N ATOM 499 CA GLU A 29 8.367 -16.716 -2.053 1.00 0.00 C ATOM 500 C GLU A 29 8.205 -17.214 -3.486 1.00 0.00 C ATOM 501 O GLU A 29 9.178 -17.363 -4.232 1.00 0.00 O ATOM 502 CB GLU A 29 8.161 -17.855 -1.055 1.00 0.00 C ATOM 503 CG GLU A 29 9.475 -18.628 -0.925 1.00 0.00 C ATOM 504 CD GLU A 29 10.429 -17.878 -0.004 1.00 0.00 C ATOM 505 OE1 GLU A 29 10.219 -17.932 1.226 1.00 0.00 O ATOM 506 OE2 GLU A 29 11.294 -17.139 -0.527 1.00 0.00 O ATOM 0 H GLU A 29 6.774 -15.814 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 29 9.381 -16.338 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.856 -17.460 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.364 -18.517 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.283 -19.625 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.930 -18.757 -1.907 1.00 0.00 H new ATOM 513 N ARG A 30 6.961 -17.407 -3.920 1.00 0.00 N ATOM 514 CA ARG A 30 6.719 -18.056 -5.186 1.00 0.00 C ATOM 515 C ARG A 30 7.083 -17.043 -6.278 1.00 0.00 C ATOM 516 O ARG A 30 7.990 -17.278 -7.080 1.00 0.00 O ATOM 517 CB ARG A 30 5.240 -18.480 -5.283 1.00 0.00 C ATOM 518 CG ARG A 30 4.905 -19.670 -4.368 1.00 0.00 C ATOM 519 CD ARG A 30 3.407 -19.759 -4.025 1.00 0.00 C ATOM 520 NE ARG A 30 2.540 -19.664 -5.211 1.00 0.00 N ATOM 521 CZ ARG A 30 1.328 -20.224 -5.356 1.00 0.00 C ATOM 522 NH1 ARG A 30 0.752 -20.911 -4.367 1.00 0.00 N ATOM 523 NH2 ARG A 30 0.686 -20.134 -6.515 1.00 0.00 N ATOM 0 H ARG A 30 6.122 -17.124 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 30 7.319 -18.960 -5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.605 -17.634 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.008 -18.743 -6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.217 -20.594 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.479 -19.585 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.212 -20.702 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.151 -18.960 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 30 2.894 -19.121 -5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.233 -21.021 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.170 -21.326 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.113 -19.639 -7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.234 -20.560 -6.623 1.00 0.00 H new ATOM 537 N GLN A 31 6.420 -15.890 -6.282 1.00 0.00 N ATOM 538 CA GLN A 31 6.527 -14.816 -7.260 1.00 0.00 C ATOM 539 C GLN A 31 6.846 -13.462 -6.604 1.00 0.00 C ATOM 540 O GLN A 31 6.093 -12.499 -6.723 1.00 0.00 O ATOM 541 CB GLN A 31 5.213 -14.728 -8.032 1.00 0.00 C ATOM 542 CG GLN A 31 4.831 -16.062 -8.679 1.00 0.00 C ATOM 543 CD GLN A 31 5.329 -16.209 -10.097 1.00 0.00 C ATOM 544 OE1 GLN A 31 6.448 -15.823 -10.426 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.488 -16.778 -10.945 1.00 0.00 N ATOM 0 H GLN A 31 5.746 -15.668 -5.549 1.00 0.00 H new ATOM 0 HA GLN A 31 7.353 -15.044 -7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.417 -14.413 -7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.298 -13.963 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.231 -16.877 -8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.746 -16.163 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.569 -17.082 -10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.759 -16.912 -11.919 1.00 0.00 H new ATOM 554 N LYS A 32 8.012 -13.379 -5.965 1.00 0.00 N ATOM 555 CA LYS A 32 8.641 -12.181 -5.417 1.00 0.00 C ATOM 556 C LYS A 32 8.447 -10.935 -6.278 1.00 0.00 C ATOM 557 O LYS A 32 8.291 -9.830 -5.768 1.00 0.00 O ATOM 558 CB LYS A 32 10.134 -12.464 -5.172 1.00 0.00 C ATOM 559 CG LYS A 32 10.869 -13.062 -6.390 1.00 0.00 C ATOM 560 CD LYS A 32 11.935 -14.098 -5.991 1.00 0.00 C ATOM 561 CE LYS A 32 11.386 -15.396 -5.363 1.00 0.00 C ATOM 562 NZ LYS A 32 10.393 -16.094 -6.207 1.00 0.00 N ATOM 0 H LYS A 32 8.583 -14.209 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 32 8.143 -11.953 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.626 -11.535 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.230 -13.150 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.142 -13.531 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.343 -12.258 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.515 -14.359 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.623 -13.634 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.218 -16.072 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.929 -15.159 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.806 -16.713 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.788 -15.394 -6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.886 -16.667 -6.922 1.00 0.00 H new ATOM 576 N ASN A 33 8.500 -11.088 -7.594 1.00 0.00 N ATOM 577 CA ASN A 33 8.076 -10.054 -8.525 1.00 0.00 C ATOM 578 C ASN A 33 6.655 -10.432 -8.923 1.00 0.00 C ATOM 579 O ASN A 33 6.475 -11.538 -9.439 1.00 0.00 O ATOM 580 CB ASN A 33 9.014 -9.999 -9.734 1.00 0.00 C ATOM 581 CG ASN A 33 10.462 -9.679 -9.375 1.00 0.00 C ATOM 582 OD1 ASN A 33 11.346 -9.780 -10.224 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.736 -9.281 -8.136 1.00 0.00 N ATOM 0 H ASN A 33 8.840 -11.937 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 33 8.107 -9.059 -8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.981 -10.958 -10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.648 -9.247 -10.433 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.695 -9.052 -7.874 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.987 -9.204 -7.448 1.00 0.00 H new ATOM 590 N PRO A 34 5.655 -9.576 -8.650 1.00 0.00 N ATOM 591 CA PRO A 34 4.255 -9.956 -8.701 1.00 0.00 C ATOM 592 C PRO A 34 3.886 -10.179 -10.160 1.00 0.00 C ATOM 593 O PRO A 34 3.635 -9.217 -10.885 1.00 0.00 O ATOM 594 CB PRO A 34 3.493 -8.784 -8.075 1.00 0.00 C ATOM 595 CG PRO A 34 4.380 -7.576 -8.382 1.00 0.00 C ATOM 596 CD PRO A 34 5.794 -8.160 -8.336 1.00 0.00 C ATOM 0 HA PRO A 34 4.021 -10.875 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.500 -8.673 -8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.358 -8.920 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.153 -7.147 -9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.248 -6.782 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.445 -7.663 -9.055 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.242 -8.021 -7.352 1.00 0.00 H new ATOM 604 N SER A 35 3.914 -11.431 -10.609 1.00 0.00 N ATOM 605 CA SER A 35 3.995 -11.735 -12.021 1.00 0.00 C ATOM 606 C SER A 35 2.762 -11.215 -12.746 1.00 0.00 C ATOM 607 O SER A 35 2.789 -10.169 -13.399 1.00 0.00 O ATOM 608 CB SER A 35 4.171 -13.246 -12.192 1.00 0.00 C ATOM 609 OG SER A 35 3.217 -13.953 -11.410 1.00 0.00 O ATOM 0 H SER A 35 3.881 -12.252 -10.004 1.00 0.00 H new ATOM 0 HA SER A 35 4.856 -11.236 -12.466 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.058 -13.514 -13.243 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.179 -13.536 -11.895 1.00 0.00 H new ATOM 0 HG SER A 35 3.001 -14.803 -11.847 1.00 0.00 H new ATOM 615 N LYS A 36 1.673 -11.965 -12.635 1.00 0.00 N ATOM 616 CA LYS A 36 0.438 -11.646 -13.311 1.00 0.00 C ATOM 617 C LYS A 36 -0.671 -12.500 -12.721 1.00 0.00 C ATOM 618 O LYS A 36 -1.564 -11.990 -12.041 1.00 0.00 O ATOM 619 CB LYS A 36 0.614 -11.864 -14.830 1.00 0.00 C ATOM 620 CG LYS A 36 -0.414 -11.065 -15.629 1.00 0.00 C ATOM 621 CD LYS A 36 -0.112 -9.556 -15.571 1.00 0.00 C ATOM 622 CE LYS A 36 0.587 -9.028 -16.829 1.00 0.00 C ATOM 623 NZ LYS A 36 -0.248 -9.117 -18.045 1.00 0.00 N ATOM 0 H LYS A 36 1.629 -12.813 -12.070 1.00 0.00 H new ATOM 0 HA LYS A 36 0.167 -10.600 -13.168 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.620 -11.567 -15.128 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.513 -12.924 -15.061 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.412 -11.399 -16.666 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.412 -11.254 -15.235 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.045 -9.011 -15.427 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.514 -9.351 -14.703 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.872 -7.988 -16.668 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.507 -9.590 -16.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.147 -8.500 -18.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.261 -10.099 -18.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.218 -8.815 -17.823 1.00 0.00 H new ATOM 637 N GLU A 37 -0.588 -13.802 -12.965 1.00 0.00 N ATOM 638 CA GLU A 37 -1.535 -14.781 -12.501 1.00 0.00 C ATOM 639 C GLU A 37 -1.499 -14.727 -10.984 1.00 0.00 C ATOM 640 O GLU A 37 -2.495 -14.415 -10.344 1.00 0.00 O ATOM 641 CB GLU A 37 -1.040 -16.135 -13.008 1.00 0.00 C ATOM 642 CG GLU A 37 -1.964 -16.756 -14.049 1.00 0.00 C ATOM 643 CD GLU A 37 -1.187 -17.870 -14.698 1.00 0.00 C ATOM 644 OE1 GLU A 37 -1.140 -18.964 -14.103 1.00 0.00 O ATOM 645 OE2 GLU A 37 -0.485 -17.570 -15.681 1.00 0.00 O ATOM 0 H GLU A 37 0.171 -14.209 -13.511 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.553 -14.609 -12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.046 -16.014 -13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.941 -16.818 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.873 -17.137 -13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.270 -16.015 -14.787 1.00 0.00 H new ATOM 652 N GLU A 38 -0.304 -14.937 -10.428 1.00 0.00 N ATOM 653 CA GLU A 38 -0.082 -14.968 -8.996 1.00 0.00 C ATOM 654 C GLU A 38 -0.643 -13.720 -8.331 1.00 0.00 C ATOM 655 O GLU A 38 -1.211 -13.786 -7.254 1.00 0.00 O ATOM 656 CB GLU A 38 1.410 -15.097 -8.697 1.00 0.00 C ATOM 657 CG GLU A 38 1.623 -15.832 -7.363 1.00 0.00 C ATOM 658 CD GLU A 38 1.694 -17.332 -7.561 1.00 0.00 C ATOM 659 OE1 GLU A 38 0.692 -17.913 -8.018 1.00 0.00 O ATOM 660 OE2 GLU A 38 2.754 -17.920 -7.269 1.00 0.00 O ATOM 0 H GLU A 38 0.543 -15.092 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.603 -15.835 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.904 -15.640 -9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.866 -14.108 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.544 -15.482 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.808 -15.592 -6.680 1.00 0.00 H new ATOM 667 N ARG A 39 -0.487 -12.563 -8.967 1.00 0.00 N ATOM 668 CA ARG A 39 -1.008 -11.324 -8.427 1.00 0.00 C ATOM 669 C ARG A 39 -2.544 -11.370 -8.339 1.00 0.00 C ATOM 670 O ARG A 39 -3.129 -10.864 -7.388 1.00 0.00 O ATOM 671 CB ARG A 39 -0.465 -10.165 -9.276 1.00 0.00 C ATOM 672 CG ARG A 39 -0.908 -8.792 -8.754 1.00 0.00 C ATOM 673 CD ARG A 39 -1.743 -8.031 -9.790 1.00 0.00 C ATOM 674 NE ARG A 39 -2.872 -8.829 -10.291 1.00 0.00 N ATOM 675 CZ ARG A 39 -3.890 -8.373 -11.031 1.00 0.00 C ATOM 676 NH1 ARG A 39 -3.965 -7.082 -11.353 1.00 0.00 N ATOM 677 NH2 ARG A 39 -4.826 -9.222 -11.431 1.00 0.00 N ATOM 0 H ARG A 39 -0.002 -12.464 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.672 -11.170 -7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.624 -10.210 -9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.803 -10.284 -10.305 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.490 -8.921 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.030 -8.202 -8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.121 -7.111 -9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.106 -7.742 -10.626 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.880 -9.821 -10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.244 -6.434 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.744 -6.742 -11.917 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.764 -10.207 -11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.608 -8.890 -11.995 1.00 0.00 H new ATOM 691 N GLU A 40 -3.206 -11.923 -9.357 1.00 0.00 N ATOM 692 CA GLU A 40 -4.646 -12.127 -9.387 1.00 0.00 C ATOM 693 C GLU A 40 -5.026 -13.114 -8.274 1.00 0.00 C ATOM 694 O GLU A 40 -5.831 -12.796 -7.401 1.00 0.00 O ATOM 695 CB GLU A 40 -4.977 -12.645 -10.808 1.00 0.00 C ATOM 696 CG GLU A 40 -6.248 -12.060 -11.439 1.00 0.00 C ATOM 697 CD GLU A 40 -6.088 -11.603 -12.879 1.00 0.00 C ATOM 698 OE1 GLU A 40 -5.247 -12.173 -13.608 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.734 -10.596 -13.220 1.00 0.00 O ATOM 0 H GLU A 40 -2.738 -12.248 -10.203 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.219 -11.219 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.133 -12.427 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.077 -13.730 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.038 -12.810 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.579 -11.213 -10.838 1.00 0.00 H new ATOM 706 N THR A 41 -4.385 -14.284 -8.284 1.00 0.00 N ATOM 707 CA THR A 41 -4.492 -15.304 -7.257 1.00 0.00 C ATOM 708 C THR A 41 -4.425 -14.647 -5.887 1.00 0.00 C ATOM 709 O THR A 41 -5.319 -14.856 -5.086 1.00 0.00 O ATOM 710 CB THR A 41 -3.423 -16.399 -7.478 1.00 0.00 C ATOM 711 OG1 THR A 41 -4.034 -17.576 -7.974 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.568 -16.761 -6.257 1.00 0.00 C ATOM 0 H THR A 41 -3.754 -14.551 -9.040 1.00 0.00 H new ATOM 0 HA THR A 41 -5.455 -15.812 -7.317 1.00 0.00 H new ATOM 0 HB THR A 41 -2.732 -15.960 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.351 -18.265 -8.113 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.854 -17.538 -6.530 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.029 -15.877 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.212 -17.125 -5.457 1.00 0.00 H new ATOM 720 N LEU A 42 -3.411 -13.825 -5.636 1.00 0.00 N ATOM 721 CA LEU A 42 -3.161 -13.223 -4.345 1.00 0.00 C ATOM 722 C LEU A 42 -4.414 -12.538 -3.847 1.00 0.00 C ATOM 723 O LEU A 42 -4.793 -12.718 -2.699 1.00 0.00 O ATOM 724 CB LEU A 42 -2.023 -12.194 -4.432 1.00 0.00 C ATOM 725 CG LEU A 42 -0.698 -12.688 -3.848 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.341 -11.577 -4.017 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.853 -12.999 -2.354 1.00 0.00 C ATOM 0 H LEU A 42 -2.729 -13.557 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.870 -14.012 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.870 -11.923 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.325 -11.287 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.389 -13.596 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.296 -11.906 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.460 -11.348 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.008 -10.684 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.099 -13.349 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.159 -12.097 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.609 -13.772 -2.220 1.00 0.00 H new ATOM 739 N VAL A 43 -5.047 -11.730 -4.693 1.00 0.00 N ATOM 740 CA VAL A 43 -6.229 -11.016 -4.270 1.00 0.00 C ATOM 741 C VAL A 43 -7.315 -12.015 -3.861 1.00 0.00 C ATOM 742 O VAL A 43 -7.835 -11.911 -2.751 1.00 0.00 O ATOM 743 CB VAL A 43 -6.667 -10.018 -5.348 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.914 -9.292 -4.829 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.567 -8.974 -5.568 1.00 0.00 C ATOM 0 H VAL A 43 -4.761 -11.560 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.015 -10.415 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.865 -10.542 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.253 -8.572 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.705 -10.018 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.672 -8.769 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.884 -8.268 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.381 -8.439 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.652 -9.472 -5.889 1.00 0.00 H new ATOM 755 N GLU A 44 -7.636 -12.968 -4.738 1.00 0.00 N ATOM 756 CA GLU A 44 -8.599 -14.029 -4.470 1.00 0.00 C ATOM 757 C GLU A 44 -8.239 -14.740 -3.162 1.00 0.00 C ATOM 758 O GLU A 44 -8.961 -14.607 -2.182 1.00 0.00 O ATOM 759 CB GLU A 44 -8.645 -14.964 -5.692 1.00 0.00 C ATOM 760 CG GLU A 44 -9.310 -16.333 -5.479 1.00 0.00 C ATOM 761 CD GLU A 44 -10.702 -16.245 -4.878 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.443 -15.321 -5.274 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.004 -17.134 -4.055 1.00 0.00 O ATOM 0 H GLU A 44 -7.225 -13.022 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.603 -13.630 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.171 -14.450 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.623 -15.130 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.368 -16.852 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.679 -16.937 -4.827 1.00 0.00 H new ATOM 770 N GLU A 45 -7.120 -15.466 -3.132 1.00 0.00 N ATOM 771 CA GLU A 45 -6.589 -16.180 -1.976 1.00 0.00 C ATOM 772 C GLU A 45 -6.746 -15.327 -0.714 1.00 0.00 C ATOM 773 O GLU A 45 -7.255 -15.788 0.309 1.00 0.00 O ATOM 774 CB GLU A 45 -5.110 -16.519 -2.216 1.00 0.00 C ATOM 775 CG GLU A 45 -4.810 -18.016 -2.342 1.00 0.00 C ATOM 776 CD GLU A 45 -3.348 -18.218 -2.699 1.00 0.00 C ATOM 777 OE1 GLU A 45 -2.490 -17.612 -2.022 1.00 0.00 O ATOM 778 OE2 GLU A 45 -3.077 -18.944 -3.683 1.00 0.00 O ATOM 0 H GLU A 45 -6.531 -15.576 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.146 -17.107 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.779 -16.018 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.520 -16.112 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.038 -18.522 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.446 -18.461 -3.108 1.00 0.00 H new ATOM 785 N CYS A 46 -6.302 -14.074 -0.796 1.00 0.00 N ATOM 786 CA CYS A 46 -6.323 -13.176 0.345 1.00 0.00 C ATOM 787 C CYS A 46 -7.748 -12.964 0.811 1.00 0.00 C ATOM 788 O CYS A 46 -8.053 -13.217 1.963 1.00 0.00 O ATOM 789 CB CYS A 46 -5.714 -11.807 0.043 1.00 0.00 C ATOM 790 SG CYS A 46 -5.363 -11.060 1.645 1.00 0.00 S ATOM 0 H CYS A 46 -5.922 -13.661 -1.648 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.719 -13.653 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.805 -11.906 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.404 -11.191 -0.533 1.00 0.00 H new ATOM 0 HG CYS A 46 -6.462 -10.976 2.335 1.00 0.00 H new ATOM 796 N ASN A 47 -8.618 -12.505 -0.089 1.00 0.00 N ATOM 797 CA ASN A 47 -10.040 -12.236 0.132 1.00 0.00 C ATOM 798 C ASN A 47 -10.705 -13.467 0.740 1.00 0.00 C ATOM 799 O ASN A 47 -11.453 -13.366 1.708 1.00 0.00 O ATOM 800 CB ASN A 47 -10.700 -11.876 -1.217 1.00 0.00 C ATOM 801 CG ASN A 47 -10.568 -10.397 -1.573 1.00 0.00 C ATOM 802 OD1 ASN A 47 -11.556 -9.710 -1.802 1.00 0.00 O ATOM 803 ND2 ASN A 47 -9.351 -9.874 -1.643 1.00 0.00 N ATOM 0 H ASN A 47 -8.333 -12.299 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.159 -11.401 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.248 -12.475 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.756 -12.142 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.232 -8.891 -1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.535 -10.454 -1.450 1.00 0.00 H new ATOM 810 N ARG A 48 -10.416 -14.636 0.180 1.00 0.00 N ATOM 811 CA ARG A 48 -10.888 -15.935 0.616 1.00 0.00 C ATOM 812 C ARG A 48 -10.528 -16.137 2.087 1.00 0.00 C ATOM 813 O ARG A 48 -11.404 -16.374 2.918 1.00 0.00 O ATOM 814 CB ARG A 48 -10.257 -16.993 -0.295 1.00 0.00 C ATOM 815 CG ARG A 48 -11.107 -18.253 -0.404 1.00 0.00 C ATOM 816 CD ARG A 48 -10.361 -19.218 -1.327 1.00 0.00 C ATOM 817 NE ARG A 48 -11.249 -20.289 -1.793 1.00 0.00 N ATOM 818 CZ ARG A 48 -11.485 -20.608 -3.079 1.00 0.00 C ATOM 819 NH1 ARG A 48 -11.170 -19.770 -4.066 1.00 0.00 N ATOM 820 NH2 ARG A 48 -12.037 -21.791 -3.368 1.00 0.00 N ATOM 0 H ARG A 48 -9.810 -14.701 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.972 -16.017 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.110 -16.571 -1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.271 -17.256 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.261 -18.700 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.093 -18.019 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.961 -18.673 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.511 -19.649 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.729 -20.839 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.742 -18.869 -3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.357 -20.030 -5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.274 -22.440 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.221 -22.044 -4.339 1.00 0.00 H new ATOM 834 N ALA A 49 -9.242 -16.024 2.418 1.00 0.00 N ATOM 835 CA ALA A 49 -8.780 -16.105 3.795 1.00 0.00 C ATOM 836 C ALA A 49 -9.456 -15.025 4.640 1.00 0.00 C ATOM 837 O ALA A 49 -9.874 -15.270 5.764 1.00 0.00 O ATOM 838 CB ALA A 49 -7.256 -15.978 3.850 1.00 0.00 C ATOM 0 H ALA A 49 -8.496 -15.874 1.738 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.052 -17.077 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.923 -16.040 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.803 -16.785 3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.955 -15.018 3.429 1.00 0.00 H new ATOM 844 N GLU A 50 -9.600 -13.825 4.095 1.00 0.00 N ATOM 845 CA GLU A 50 -10.198 -12.697 4.774 1.00 0.00 C ATOM 846 C GLU A 50 -11.627 -13.042 5.177 1.00 0.00 C ATOM 847 O GLU A 50 -12.080 -12.688 6.265 1.00 0.00 O ATOM 848 CB GLU A 50 -10.109 -11.450 3.884 1.00 0.00 C ATOM 849 CG GLU A 50 -9.487 -10.280 4.640 1.00 0.00 C ATOM 850 CD GLU A 50 -8.006 -10.484 4.911 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.235 -10.493 3.932 1.00 0.00 O ATOM 852 OE2 GLU A 50 -7.661 -10.571 6.112 1.00 0.00 O ATOM 0 H GLU A 50 -9.295 -13.610 3.146 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.654 -12.471 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.514 -11.673 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.105 -11.175 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.625 -9.365 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.011 -10.143 5.586 1.00 0.00 H new ATOM 859 N CYS A 51 -12.339 -13.754 4.308 1.00 0.00 N ATOM 860 CA CYS A 51 -13.643 -14.286 4.653 1.00 0.00 C ATOM 861 C CYS A 51 -13.543 -15.084 5.957 1.00 0.00 C ATOM 862 O CYS A 51 -14.340 -14.870 6.863 1.00 0.00 O ATOM 863 CB CYS A 51 -14.294 -15.051 3.487 1.00 0.00 C ATOM 864 SG CYS A 51 -14.462 -16.826 3.821 1.00 0.00 S ATOM 0 H CYS A 51 -12.030 -13.973 3.361 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.330 -13.460 4.836 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.278 -14.629 3.285 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.696 -14.910 2.587 1.00 0.00 H new ATOM 0 HG CYS A 51 -13.324 -17.418 3.606 1.00 0.00 H new ATOM 870 N ILE A 52 -12.506 -15.906 6.120 1.00 0.00 N ATOM 871 CA ILE A 52 -12.294 -16.655 7.349 1.00 0.00 C ATOM 872 C ILE A 52 -12.036 -15.672 8.499 1.00 0.00 C ATOM 873 O ILE A 52 -12.661 -15.802 9.550 1.00 0.00 O ATOM 874 CB ILE A 52 -11.178 -17.713 7.184 1.00 0.00 C ATOM 875 CG1 ILE A 52 -11.420 -18.567 5.921 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.113 -18.604 8.432 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.306 -19.578 5.635 1.00 0.00 C ATOM 0 H ILE A 52 -11.796 -16.068 5.406 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.191 -17.224 7.593 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.224 -17.200 7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.364 -19.102 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -11.527 -17.905 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.325 -19.347 8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.899 -17.990 9.307 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.069 -19.109 8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.548 -20.140 4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.363 -19.050 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.213 -20.265 6.476 1.00 0.00 H new ATOM 889 N GLN A 53 -11.176 -14.662 8.293 1.00 0.00 N ATOM 890 CA GLN A 53 -10.816 -13.685 9.326 1.00 0.00 C ATOM 891 C GLN A 53 -12.028 -13.107 10.056 1.00 0.00 C ATOM 892 O GLN A 53 -11.877 -12.676 11.198 1.00 0.00 O ATOM 893 CB GLN A 53 -9.967 -12.508 8.798 1.00 0.00 C ATOM 894 CG GLN A 53 -8.452 -12.767 8.816 1.00 0.00 C ATOM 895 CD GLN A 53 -7.981 -13.783 7.784 1.00 0.00 C ATOM 896 OE1 GLN A 53 -8.008 -14.982 8.037 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.506 -13.315 6.637 1.00 0.00 N ATOM 0 H GLN A 53 -10.710 -14.502 7.400 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.216 -14.268 10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.274 -12.283 7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.180 -11.623 9.397 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.931 -11.825 8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.166 -13.114 9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.499 -12.311 6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.148 -13.960 5.932 1.00 0.00 H new ATOM 906 N ARG A 54 -13.200 -13.014 9.420 1.00 0.00 N ATOM 907 CA ARG A 54 -14.387 -12.574 10.133 1.00 0.00 C ATOM 908 C ARG A 54 -15.627 -13.367 9.740 1.00 0.00 C ATOM 909 O ARG A 54 -16.717 -12.795 9.719 1.00 0.00 O ATOM 910 CB ARG A 54 -14.586 -11.073 9.898 1.00 0.00 C ATOM 911 CG ARG A 54 -15.384 -10.490 11.070 1.00 0.00 C ATOM 912 CD ARG A 54 -16.462 -9.525 10.582 1.00 0.00 C ATOM 913 NE ARG A 54 -15.880 -8.304 10.009 1.00 0.00 N ATOM 914 CZ ARG A 54 -16.632 -7.267 9.608 1.00 0.00 C ATOM 915 NH1 ARG A 54 -17.948 -7.431 9.439 1.00 0.00 N ATOM 916 NH2 ARG A 54 -16.067 -6.079 9.410 1.00 0.00 N ATOM 0 H ARG A 54 -13.344 -13.234 8.434 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.237 -12.758 11.197 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.621 -10.573 9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.116 -10.905 8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.846 -11.299 11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.709 -9.971 11.750 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.081 -10.019 9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.117 -9.261 11.412 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.867 -8.242 9.912 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.375 -8.340 9.615 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.525 -6.647 9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.066 -5.959 9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.635 -5.289 9.105 1.00 0.00 H new ATOM 930 N GLY A 55 -15.467 -14.653 9.433 1.00 0.00 N ATOM 931 CA GLY A 55 -16.549 -15.512 8.972 1.00 0.00 C ATOM 932 C GLY A 55 -17.496 -14.800 8.000 1.00 0.00 C ATOM 933 O GLY A 55 -18.713 -14.910 8.126 1.00 0.00 O ATOM 0 H GLY A 55 -14.569 -15.131 9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.127 -16.391 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.117 -15.867 9.832 1.00 0.00 H new ATOM 937 N VAL A 56 -16.955 -14.061 7.028 1.00 0.00 N ATOM 938 CA VAL A 56 -17.796 -13.426 6.036 1.00 0.00 C ATOM 939 C VAL A 56 -18.295 -14.524 5.101 1.00 0.00 C ATOM 940 O VAL A 56 -17.591 -15.489 4.814 1.00 0.00 O ATOM 941 CB VAL A 56 -17.044 -12.379 5.188 1.00 0.00 C ATOM 942 CG1 VAL A 56 -18.039 -11.520 4.396 1.00 0.00 C ATOM 943 CG2 VAL A 56 -16.151 -11.399 5.941 1.00 0.00 C ATOM 0 H VAL A 56 -15.955 -13.895 6.915 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.601 -12.905 6.554 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.396 -12.997 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.494 -10.786 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -18.625 -12.158 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.706 -11.005 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.680 -10.717 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.753 -10.829 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.381 -11.950 6.481 1.00 0.00 H new ATOM 953 N SER A 57 -19.495 -14.314 4.572 1.00 0.00 N ATOM 954 CA SER A 57 -19.990 -14.953 3.371 1.00 0.00 C ATOM 955 C SER A 57 -18.839 -15.119 2.367 1.00 0.00 C ATOM 956 O SER A 57 -18.205 -14.113 2.050 1.00 0.00 O ATOM 957 CB SER A 57 -21.038 -14.007 2.778 1.00 0.00 C ATOM 958 OG SER A 57 -22.331 -14.570 2.819 1.00 0.00 O ATOM 0 H SER A 57 -20.169 -13.671 4.987 1.00 0.00 H new ATOM 0 HA SER A 57 -20.410 -15.935 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.033 -13.067 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.775 -13.773 1.746 1.00 0.00 H new ATOM 0 HG SER A 57 -22.544 -14.964 1.947 1.00 0.00 H new ATOM 964 N PRO A 58 -18.595 -16.309 1.793 1.00 0.00 N ATOM 965 CA PRO A 58 -17.680 -16.421 0.668 1.00 0.00 C ATOM 966 C PRO A 58 -18.171 -15.509 -0.460 1.00 0.00 C ATOM 967 O PRO A 58 -17.407 -14.754 -1.055 1.00 0.00 O ATOM 968 CB PRO A 58 -17.670 -17.904 0.285 1.00 0.00 C ATOM 969 CG PRO A 58 -19.009 -18.435 0.806 1.00 0.00 C ATOM 970 CD PRO A 58 -19.293 -17.562 2.032 1.00 0.00 C ATOM 0 HA PRO A 58 -16.663 -16.102 0.898 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.581 -18.036 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.829 -18.427 0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.795 -18.342 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.945 -19.490 1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.363 -17.397 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.937 -18.041 2.944 1.00 0.00 H new ATOM 978 N SER A 59 -19.489 -15.481 -0.655 1.00 0.00 N ATOM 979 CA SER A 59 -20.215 -14.577 -1.534 1.00 0.00 C ATOM 980 C SER A 59 -20.037 -13.088 -1.186 1.00 0.00 C ATOM 981 O SER A 59 -20.644 -12.230 -1.823 1.00 0.00 O ATOM 982 CB SER A 59 -21.691 -14.993 -1.462 1.00 0.00 C ATOM 983 OG SER A 59 -22.014 -15.450 -0.149 1.00 0.00 O ATOM 0 H SER A 59 -20.112 -16.129 -0.173 1.00 0.00 H new ATOM 0 HA SER A 59 -19.815 -14.663 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 59 -22.327 -14.148 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 59 -21.889 -15.782 -2.188 1.00 0.00 H new ATOM 0 HG SER A 59 -22.958 -15.710 -0.116 1.00 0.00 H new ATOM 989 N GLN A 60 -19.243 -12.751 -0.170 1.00 0.00 N ATOM 990 CA GLN A 60 -18.900 -11.384 0.160 1.00 0.00 C ATOM 991 C GLN A 60 -17.467 -11.327 0.705 1.00 0.00 C ATOM 992 O GLN A 60 -17.105 -10.398 1.429 1.00 0.00 O ATOM 993 CB GLN A 60 -19.989 -10.830 1.100 1.00 0.00 C ATOM 994 CG GLN A 60 -20.056 -9.302 1.196 1.00 0.00 C ATOM 995 CD GLN A 60 -20.186 -8.578 -0.144 1.00 0.00 C ATOM 996 OE1 GLN A 60 -19.755 -7.438 -0.264 1.00 0.00 O ATOM 997 NE2 GLN A 60 -20.756 -9.208 -1.166 1.00 0.00 N ATOM 0 H GLN A 60 -18.817 -13.438 0.452 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.889 -10.734 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.958 -11.199 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -19.823 -11.233 2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -20.904 -9.029 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -19.158 -8.944 1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -21.109 -10.157 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -20.840 -8.742 -2.069 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.618 -12.264 0.270 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.179 -12.205 0.483 1.00 0.00 C ATOM 1008 C ALA A 61 -14.589 -10.948 -0.160 1.00 0.00 C ATOM 1009 O ALA A 61 -13.541 -10.471 0.251 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.524 -13.470 -0.077 1.00 0.00 C ATOM 0 H ALA A 61 -16.920 -13.091 -0.245 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.978 -12.153 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.447 -13.424 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.929 -14.345 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.729 -13.543 -1.145 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.291 -10.379 -1.140 1.00 0.00 N ATOM 1017 CA GLN A 62 -14.940 -9.104 -1.748 1.00 0.00 C ATOM 1018 C GLN A 62 -15.456 -7.894 -0.956 1.00 0.00 C ATOM 1019 O GLN A 62 -15.338 -6.776 -1.454 1.00 0.00 O ATOM 1020 CB GLN A 62 -15.411 -9.090 -3.214 1.00 0.00 C ATOM 1021 CG GLN A 62 -14.241 -9.385 -4.163 1.00 0.00 C ATOM 1022 CD GLN A 62 -13.199 -8.267 -4.252 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -12.171 -8.433 -4.898 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -13.439 -7.100 -3.660 1.00 0.00 N ATOM 0 H GLN A 62 -16.131 -10.800 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.855 -9.007 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -16.197 -9.832 -3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.843 -8.118 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.747 -10.300 -3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.638 -9.575 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.296 -6.967 -3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.766 -6.338 -3.743 1.00 0.00 H new ATOM 1033 N GLY A 63 -16.023 -8.090 0.239 1.00 0.00 N ATOM 1034 CA GLY A 63 -16.616 -7.025 1.037 1.00 0.00 C ATOM 1035 C GLY A 63 -15.815 -6.763 2.306 1.00 0.00 C ATOM 1036 O GLY A 63 -15.153 -5.734 2.421 1.00 0.00 O ATOM 0 H GLY A 63 -16.081 -9.008 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.669 -6.112 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.639 -7.294 1.301 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.899 -7.680 3.275 1.00 0.00 N ATOM 1041 CA LEU A 64 -15.307 -7.637 4.608 1.00 0.00 C ATOM 1042 C LEU A 64 -15.760 -6.451 5.467 1.00 0.00 C ATOM 1043 O LEU A 64 -16.280 -6.643 6.564 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.776 -7.675 4.545 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.139 -9.032 4.238 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -13.193 -10.023 5.387 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -13.629 -9.631 2.934 1.00 0.00 C ATOM 0 H LEU A 64 -16.427 -8.541 3.131 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.679 -8.536 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.448 -6.965 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.386 -7.323 5.500 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.080 -8.812 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.720 -10.957 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.666 -9.611 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.232 -10.213 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.142 -10.592 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.708 -9.774 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.389 -8.958 2.111 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.438 -5.226 5.055 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.539 -4.042 5.891 1.00 0.00 C ATOM 1061 C GLY A 65 -14.679 -4.199 7.147 1.00 0.00 C ATOM 1062 O GLY A 65 -15.078 -3.789 8.233 1.00 0.00 O ATOM 0 H GLY A 65 -15.095 -5.030 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.217 -3.165 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.579 -3.876 6.173 1.00 0.00 H new ATOM 1066 N SER A 66 -13.515 -4.841 7.015 1.00 0.00 N ATOM 1067 CA SER A 66 -12.567 -5.107 8.070 1.00 0.00 C ATOM 1068 C SER A 66 -11.152 -5.036 7.488 1.00 0.00 C ATOM 1069 O SER A 66 -10.238 -4.420 8.040 1.00 0.00 O ATOM 1070 CB SER A 66 -12.836 -6.538 8.561 1.00 0.00 C ATOM 1071 OG SER A 66 -13.461 -6.568 9.832 1.00 0.00 O ATOM 0 H SER A 66 -13.203 -5.204 6.114 1.00 0.00 H new ATOM 0 HA SER A 66 -12.661 -4.387 8.883 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.467 -7.054 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.894 -7.085 8.610 1.00 0.00 H new ATOM 0 HG SER A 66 -13.078 -7.294 10.368 1.00 0.00 H new ATOM 1077 N ASN A 67 -10.964 -5.773 6.396 1.00 0.00 N ATOM 1078 CA ASN A 67 -9.649 -6.206 5.959 1.00 0.00 C ATOM 1079 C ASN A 67 -9.464 -6.119 4.455 1.00 0.00 C ATOM 1080 O ASN A 67 -8.328 -6.202 4.012 1.00 0.00 O ATOM 1081 CB ASN A 67 -9.484 -7.666 6.392 1.00 0.00 C ATOM 1082 CG ASN A 67 -9.012 -7.813 7.831 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -9.366 -7.009 8.689 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -8.183 -8.784 8.138 1.00 0.00 N ATOM 0 H ASN A 67 -11.724 -6.085 5.791 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.905 -5.548 6.407 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.436 -8.183 6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.770 -8.156 5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.831 -8.872 9.091 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.891 -9.450 7.423 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.561 -5.971 3.703 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.602 -6.219 2.266 1.00 0.00 C ATOM 1093 C LEU A 68 -9.323 -5.781 1.556 1.00 0.00 C ATOM 1094 O LEU A 68 -8.973 -4.600 1.586 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.786 -5.484 1.633 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.842 -5.619 0.102 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.050 -7.081 -0.297 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.976 -4.752 -0.449 1.00 0.00 C ATOM 0 H LEU A 68 -11.457 -5.671 4.087 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.708 -7.297 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.713 -5.870 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.730 -4.427 1.895 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.896 -5.280 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.087 -7.160 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.224 -7.683 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.987 -7.444 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.014 -4.849 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.924 -5.079 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.799 -3.710 -0.184 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.670 -6.716 0.884 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.526 -6.446 0.037 1.00 0.00 C ATOM 1112 C VAL A 69 -8.055 -6.208 -1.372 1.00 0.00 C ATOM 1113 O VAL A 69 -8.641 -7.104 -1.974 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.547 -7.624 0.139 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.483 -7.638 -0.963 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.848 -7.532 1.500 1.00 0.00 C ATOM 0 H VAL A 69 -8.928 -7.702 0.915 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.971 -5.559 0.341 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.123 -8.542 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.828 -8.498 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.968 -7.703 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.894 -6.722 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.144 -8.357 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.311 -6.586 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.591 -7.587 2.295 1.00 0.00 H new ATOM 1126 N THR A 70 -7.869 -4.993 -1.882 1.00 0.00 N ATOM 1127 CA THR A 70 -8.053 -4.684 -3.290 1.00 0.00 C ATOM 1128 C THR A 70 -6.682 -4.800 -3.963 1.00 0.00 C ATOM 1129 O THR A 70 -5.664 -4.705 -3.269 1.00 0.00 O ATOM 1130 CB THR A 70 -8.714 -3.303 -3.437 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.971 -2.241 -2.863 1.00 0.00 O ATOM 1132 CG2 THR A 70 -10.074 -3.303 -2.732 1.00 0.00 C ATOM 0 H THR A 70 -7.584 -4.191 -1.321 1.00 0.00 H new ATOM 0 HA THR A 70 -8.729 -5.380 -3.786 1.00 0.00 H new ATOM 0 HB THR A 70 -8.788 -3.137 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.451 -1.397 -2.996 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.539 -2.323 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.717 -4.060 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.935 -3.526 -1.674 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.637 -5.035 -5.280 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.397 -5.333 -5.986 1.00 0.00 C ATOM 1142 C GLU A 71 -4.295 -4.355 -5.624 1.00 0.00 C ATOM 1143 O GLU A 71 -3.172 -4.765 -5.328 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.626 -5.372 -7.501 1.00 0.00 C ATOM 1145 CG GLU A 71 -4.359 -5.814 -8.252 1.00 0.00 C ATOM 1146 CD GLU A 71 -3.621 -4.695 -8.965 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -3.732 -3.518 -8.563 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -2.935 -5.008 -9.963 1.00 0.00 O ATOM 0 H GLU A 71 -7.461 -5.023 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.068 -6.322 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.443 -6.057 -7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.931 -4.385 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.679 -6.285 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.633 -6.574 -8.984 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.610 -3.062 -5.610 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.568 -2.080 -5.409 1.00 0.00 C ATOM 1157 C VAL A 72 -2.846 -2.319 -4.088 1.00 0.00 C ATOM 1158 O VAL A 72 -1.666 -2.017 -3.986 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.110 -0.651 -5.503 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -4.615 -0.143 -4.155 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.007 0.260 -6.041 1.00 0.00 C ATOM 0 H VAL A 72 -5.550 -2.686 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.842 -2.197 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.963 -0.646 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.991 0.874 -4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.418 -0.789 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.798 -0.151 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.381 1.281 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.152 0.233 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.700 -0.084 -7.029 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.532 -2.815 -3.055 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.895 -3.059 -1.775 1.00 0.00 C ATOM 1173 C ARG A 73 -1.745 -4.049 -1.978 1.00 0.00 C ATOM 1174 O ARG A 73 -0.630 -3.773 -1.542 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.903 -3.608 -0.757 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.141 -2.748 -0.503 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.807 -1.412 0.170 1.00 0.00 C ATOM 1178 NE ARG A 73 -5.176 -0.291 -0.705 1.00 0.00 N ATOM 1179 CZ ARG A 73 -4.500 0.821 -1.036 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -3.222 0.977 -0.689 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -5.112 1.769 -1.740 1.00 0.00 N ATOM 0 H ARG A 73 -4.524 -3.052 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.508 -2.120 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.232 -4.590 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.387 -3.754 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.646 -2.557 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.840 -3.301 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.339 -1.332 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.742 -1.369 0.398 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.099 -0.371 -1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.743 0.245 -0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.723 1.828 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.084 1.647 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.609 2.618 -1.997 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.005 -5.177 -2.648 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.970 -6.143 -3.001 1.00 0.00 C ATOM 1197 C VAL A 74 0.086 -5.412 -3.819 1.00 0.00 C ATOM 1198 O VAL A 74 1.257 -5.371 -3.456 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.556 -7.296 -3.855 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.446 -8.202 -4.398 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.579 -8.168 -3.123 1.00 0.00 C ATOM 0 H VAL A 74 -2.940 -5.442 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.547 -6.571 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.079 -6.793 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.887 -9.002 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.229 -7.616 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.111 -8.634 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.937 -8.949 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.110 -8.625 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.419 -7.552 -2.802 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.330 -4.844 -4.944 1.00 0.00 N ATOM 1212 CA TYR A 75 0.578 -4.313 -5.941 1.00 0.00 C ATOM 1213 C TYR A 75 1.578 -3.342 -5.314 1.00 0.00 C ATOM 1214 O TYR A 75 2.782 -3.396 -5.563 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.249 -3.641 -7.036 1.00 0.00 C ATOM 1216 CG TYR A 75 0.410 -3.772 -8.381 1.00 0.00 C ATOM 1217 CD1 TYR A 75 0.341 -5.008 -9.041 1.00 0.00 C ATOM 1218 CD2 TYR A 75 1.293 -2.779 -8.832 1.00 0.00 C ATOM 1219 CE1 TYR A 75 1.217 -5.284 -10.098 1.00 0.00 C ATOM 1220 CE2 TYR A 75 2.105 -3.024 -9.949 1.00 0.00 C ATOM 1221 CZ TYR A 75 2.108 -4.294 -10.537 1.00 0.00 C ATOM 1222 OH TYR A 75 3.017 -4.584 -11.513 1.00 0.00 O ATOM 0 H TYR A 75 -1.315 -4.740 -5.188 1.00 0.00 H new ATOM 0 HA TYR A 75 1.164 -5.122 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.242 -4.089 -7.071 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.384 -2.586 -6.797 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.386 -5.745 -8.734 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.347 -1.829 -8.321 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.207 -6.254 -10.573 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.724 -2.237 -10.353 1.00 0.00 H new ATOM 0 HH TYR A 75 3.558 -3.789 -11.703 1.00 0.00 H new ATOM 1232 N ASN A 76 1.043 -2.478 -4.463 1.00 0.00 N ATOM 1233 CA ASN A 76 1.728 -1.478 -3.668 1.00 0.00 C ATOM 1234 C ASN A 76 2.611 -2.140 -2.609 1.00 0.00 C ATOM 1235 O ASN A 76 3.752 -1.735 -2.406 1.00 0.00 O ATOM 1236 CB ASN A 76 0.628 -0.632 -3.023 1.00 0.00 C ATOM 1237 CG ASN A 76 1.045 0.471 -2.073 1.00 0.00 C ATOM 1238 OD1 ASN A 76 2.144 0.518 -1.532 1.00 0.00 O ATOM 1239 ND2 ASN A 76 0.094 1.355 -1.800 1.00 0.00 N ATOM 0 H ASN A 76 0.036 -2.460 -4.300 1.00 0.00 H new ATOM 0 HA ASN A 76 2.390 -0.863 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.042 -0.180 -3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.037 -1.305 -2.482 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.268 2.099 -1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.811 1.291 -2.266 1.00 0.00 H new ATOM 1246 N TRP A 77 2.109 -3.165 -1.917 1.00 0.00 N ATOM 1247 CA TRP A 77 2.905 -3.938 -0.972 1.00 0.00 C ATOM 1248 C TRP A 77 4.168 -4.455 -1.655 1.00 0.00 C ATOM 1249 O TRP A 77 5.244 -4.387 -1.056 1.00 0.00 O ATOM 1250 CB TRP A 77 2.082 -5.086 -0.368 1.00 0.00 C ATOM 1251 CG TRP A 77 2.743 -5.913 0.696 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.386 -5.891 1.996 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.725 -6.996 0.581 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.172 -6.769 2.711 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.971 -7.529 1.881 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.462 -7.575 -0.472 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.870 -8.586 2.099 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.192 -8.758 -0.286 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.426 -9.252 1.001 1.00 0.00 C ATOM 0 H TRP A 77 1.142 -3.479 -1.998 1.00 0.00 H new ATOM 0 HA TRP A 77 3.203 -3.288 -0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 77 1.168 -4.664 0.050 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.784 -5.752 -1.178 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.602 -5.277 2.414 1.00 0.00 H new ATOM 0 HE1 TRP A 77 3.164 -6.847 3.728 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.465 -7.098 -1.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.130 -8.882 3.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.576 -9.291 -1.143 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.028 -10.137 1.146 1.00 0.00 H new ATOM 1270 N PHE A 78 4.027 -4.970 -2.877 1.00 0.00 N ATOM 1271 CA PHE A 78 5.130 -5.466 -3.689 1.00 0.00 C ATOM 1272 C PHE A 78 6.031 -4.306 -4.122 1.00 0.00 C ATOM 1273 O PHE A 78 7.244 -4.358 -3.935 1.00 0.00 O ATOM 1274 CB PHE A 78 4.618 -6.317 -4.854 1.00 0.00 C ATOM 1275 CG PHE A 78 4.356 -7.765 -4.463 1.00 0.00 C ATOM 1276 CD1 PHE A 78 3.212 -8.125 -3.726 1.00 0.00 C ATOM 1277 CD2 PHE A 78 5.312 -8.753 -4.765 1.00 0.00 C ATOM 1278 CE1 PHE A 78 3.024 -9.455 -3.312 1.00 0.00 C ATOM 1279 CE2 PHE A 78 5.050 -10.102 -4.479 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.932 -10.450 -3.707 1.00 0.00 C ATOM 0 H PHE A 78 3.120 -5.054 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 78 5.750 -6.134 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.698 -5.879 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.347 -6.291 -5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.475 -7.376 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.251 -8.472 -5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.180 -9.712 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.709 -10.872 -4.853 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.771 -11.478 -3.418 1.00 0.00 H new ATOM 1290 N ALA A 79 5.448 -3.221 -4.629 1.00 0.00 N ATOM 1291 CA ALA A 79 6.204 -2.043 -5.039 1.00 0.00 C ATOM 1292 C ALA A 79 7.070 -1.520 -3.889 1.00 0.00 C ATOM 1293 O ALA A 79 8.210 -1.104 -4.083 1.00 0.00 O ATOM 1294 CB ALA A 79 5.251 -0.954 -5.533 1.00 0.00 C ATOM 0 H ALA A 79 4.441 -3.136 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 79 6.868 -2.326 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.825 -0.079 -5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.681 -1.328 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.566 -0.678 -4.731 1.00 0.00 H new ATOM 1300 N ASN A 80 6.534 -1.537 -2.671 1.00 0.00 N ATOM 1301 CA ASN A 80 7.272 -1.138 -1.482 1.00 0.00 C ATOM 1302 C ASN A 80 8.272 -2.208 -1.061 1.00 0.00 C ATOM 1303 O ASN A 80 9.283 -1.887 -0.447 1.00 0.00 O ATOM 1304 CB ASN A 80 6.313 -0.839 -0.335 1.00 0.00 C ATOM 1305 CG ASN A 80 7.057 -0.195 0.833 1.00 0.00 C ATOM 1306 OD1 ASN A 80 7.261 1.016 0.850 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.455 -0.973 1.832 1.00 0.00 N ATOM 0 H ASN A 80 5.575 -1.829 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 80 7.828 -0.233 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.521 -0.174 -0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.834 -1.761 -0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.940 -0.567 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.276 -1.977 1.799 1.00 0.00 H new ATOM 1314 N ARG A 81 7.989 -3.479 -1.354 1.00 0.00 N ATOM 1315 CA ARG A 81 8.875 -4.600 -1.056 1.00 0.00 C ATOM 1316 C ARG A 81 10.263 -4.332 -1.611 1.00 0.00 C ATOM 1317 O ARG A 81 11.256 -4.549 -0.926 1.00 0.00 O ATOM 1318 CB ARG A 81 8.303 -5.903 -1.637 1.00 0.00 C ATOM 1319 CG ARG A 81 8.436 -7.143 -0.752 1.00 0.00 C ATOM 1320 CD ARG A 81 7.960 -6.911 0.680 1.00 0.00 C ATOM 1321 NE ARG A 81 6.820 -5.988 0.753 1.00 0.00 N ATOM 1322 CZ ARG A 81 6.430 -5.371 1.870 1.00 0.00 C ATOM 1323 NH1 ARG A 81 7.076 -5.562 3.011 1.00 0.00 N ATOM 1324 NH2 ARG A 81 5.387 -4.544 1.824 1.00 0.00 N ATOM 0 H ARG A 81 7.122 -3.760 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 81 8.949 -4.710 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.246 -5.748 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.799 -6.103 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.862 -7.959 -1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.479 -7.460 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.679 -7.866 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.784 -6.513 1.273 1.00 0.00 H new ATOM 0 HE ARG A 81 6.294 -5.808 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.882 -6.187 3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.768 -5.084 3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.897 -4.389 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.078 -4.066 2.670 1.00 0.00 H new ATOM 1338 N ARG A 82 10.308 -3.793 -2.828 1.00 0.00 N ATOM 1339 CA ARG A 82 11.538 -3.327 -3.444 1.00 0.00 C ATOM 1340 C ARG A 82 12.385 -2.565 -2.429 1.00 0.00 C ATOM 1341 O ARG A 82 13.558 -2.883 -2.228 1.00 0.00 O ATOM 1342 CB ARG A 82 11.226 -2.433 -4.653 1.00 0.00 C ATOM 1343 CG ARG A 82 10.258 -3.074 -5.653 1.00 0.00 C ATOM 1344 CD ARG A 82 10.780 -4.434 -6.112 1.00 0.00 C ATOM 1345 NE ARG A 82 9.908 -5.002 -7.144 1.00 0.00 N ATOM 1346 CZ ARG A 82 10.316 -5.851 -8.091 1.00 0.00 C ATOM 1347 NH1 ARG A 82 11.544 -6.366 -8.038 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.480 -6.143 -9.083 1.00 0.00 N ATOM 0 H ARG A 82 9.483 -3.669 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 82 12.102 -4.194 -3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.802 -1.493 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.157 -2.190 -5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.277 -3.192 -5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.130 -2.418 -6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.792 -4.328 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.836 -5.114 -5.262 1.00 0.00 H new ATOM 0 HE ARG A 82 8.925 -4.731 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.171 -6.112 -7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.857 -7.014 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.552 -5.721 -9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.767 -6.788 -9.819 1.00 0.00 H new ATOM 1362 N LYS A 83 11.757 -1.597 -1.761 1.00 0.00 N ATOM 1363 CA LYS A 83 12.412 -0.715 -0.824 1.00 0.00 C ATOM 1364 C LYS A 83 12.693 -1.426 0.487 1.00 0.00 C ATOM 1365 O LYS A 83 13.788 -1.297 1.022 1.00 0.00 O ATOM 1366 CB LYS A 83 11.562 0.552 -0.627 1.00 0.00 C ATOM 1367 CG LYS A 83 12.327 1.689 0.060 1.00 0.00 C ATOM 1368 CD LYS A 83 13.242 2.415 -0.933 1.00 0.00 C ATOM 1369 CE LYS A 83 14.076 3.510 -0.257 1.00 0.00 C ATOM 1370 NZ LYS A 83 15.023 2.968 0.738 1.00 0.00 N ATOM 0 H LYS A 83 10.760 -1.409 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 83 13.379 -0.414 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.205 0.897 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.682 0.303 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.621 2.397 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.921 1.288 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.908 1.693 -1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.638 2.857 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.629 4.062 -1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.409 4.221 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.932 3.467 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.636 3.101 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.169 1.954 0.562 1.00 0.00 H new ATOM 1384 N GLU A 84 11.715 -2.154 1.021 1.00 0.00 N ATOM 1385 CA GLU A 84 11.887 -2.987 2.203 1.00 0.00 C ATOM 1386 C GLU A 84 13.163 -3.825 2.067 1.00 0.00 C ATOM 1387 O GLU A 84 13.942 -3.961 3.016 1.00 0.00 O ATOM 1388 CB GLU A 84 10.635 -3.862 2.362 1.00 0.00 C ATOM 1389 CG GLU A 84 10.595 -4.663 3.670 1.00 0.00 C ATOM 1390 CD GLU A 84 10.529 -6.157 3.402 1.00 0.00 C ATOM 1391 OE1 GLU A 84 11.560 -6.712 2.966 1.00 0.00 O ATOM 1392 OE2 GLU A 84 9.427 -6.706 3.604 1.00 0.00 O ATOM 0 H GLU A 84 10.770 -2.181 0.638 1.00 0.00 H new ATOM 0 HA GLU A 84 12.000 -2.375 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.751 -3.226 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.579 -4.554 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.480 -4.437 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.730 -4.359 4.259 1.00 0.00 H new ATOM 1399 N GLU A 85 13.385 -4.355 0.868 1.00 0.00 N ATOM 1400 CA GLU A 85 14.426 -5.328 0.640 1.00 0.00 C ATOM 1401 C GLU A 85 15.741 -4.607 0.379 1.00 0.00 C ATOM 1402 O GLU A 85 16.762 -4.930 0.985 1.00 0.00 O ATOM 1403 CB GLU A 85 14.020 -6.264 -0.501 1.00 0.00 C ATOM 1404 CG GLU A 85 15.006 -7.431 -0.526 1.00 0.00 C ATOM 1405 CD GLU A 85 14.493 -8.618 -1.293 1.00 0.00 C ATOM 1406 OE1 GLU A 85 13.401 -9.097 -0.930 1.00 0.00 O ATOM 1407 OE2 GLU A 85 15.239 -9.052 -2.197 1.00 0.00 O ATOM 0 H GLU A 85 12.846 -4.117 0.036 1.00 0.00 H new ATOM 0 HA GLU A 85 14.569 -5.952 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.003 -6.627 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.033 -5.733 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.944 -7.097 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.227 -7.735 0.497 1.00 0.00 H new ATOM 1414 N ALA A 86 15.712 -3.626 -0.522 1.00 0.00 N ATOM 1415 CA ALA A 86 16.861 -2.800 -0.851 1.00 0.00 C ATOM 1416 C ALA A 86 17.425 -2.163 0.422 1.00 0.00 C ATOM 1417 O ALA A 86 18.636 -2.177 0.642 1.00 0.00 O ATOM 1418 CB ALA A 86 16.454 -1.751 -1.889 1.00 0.00 C ATOM 0 H ALA A 86 14.873 -3.383 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 86 17.651 -3.411 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 86 17.315 -1.131 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.095 -2.250 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.661 -1.124 -1.481 1.00 0.00 H new ATOM 1424 N PHE A 87 16.555 -1.621 1.280 1.00 0.00 N ATOM 1425 CA PHE A 87 16.928 -1.129 2.600 1.00 0.00 C ATOM 1426 C PHE A 87 17.794 -2.177 3.295 1.00 0.00 C ATOM 1427 O PHE A 87 18.961 -1.928 3.577 1.00 0.00 O ATOM 1428 CB PHE A 87 15.689 -0.834 3.470 1.00 0.00 C ATOM 1429 CG PHE A 87 15.064 0.549 3.367 1.00 0.00 C ATOM 1430 CD1 PHE A 87 15.851 1.688 3.619 1.00 0.00 C ATOM 1431 CD2 PHE A 87 13.661 0.674 3.380 1.00 0.00 C ATOM 1432 CE1 PHE A 87 15.245 2.919 3.913 1.00 0.00 C ATOM 1433 CE2 PHE A 87 13.055 1.925 3.593 1.00 0.00 C ATOM 1434 CZ PHE A 87 13.848 3.048 3.879 1.00 0.00 C ATOM 0 H PHE A 87 15.563 -1.513 1.071 1.00 0.00 H new ATOM 0 HA PHE A 87 17.479 -0.197 2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 87 14.922 -1.568 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.963 -1.001 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.928 1.614 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 87 13.045 -0.199 3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.857 3.772 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.981 2.022 3.537 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.386 4.005 4.072 1.00 0.00 H new ATOM 1444 N ARG A 88 17.226 -3.349 3.563 1.00 0.00 N ATOM 1445 CA ARG A 88 17.901 -4.408 4.302 1.00 0.00 C ATOM 1446 C ARG A 88 19.215 -4.810 3.610 1.00 0.00 C ATOM 1447 O ARG A 88 20.203 -5.126 4.269 1.00 0.00 O ATOM 1448 CB ARG A 88 16.902 -5.565 4.484 1.00 0.00 C ATOM 1449 CG ARG A 88 17.153 -6.458 5.708 1.00 0.00 C ATOM 1450 CD ARG A 88 18.174 -7.571 5.468 1.00 0.00 C ATOM 1451 NE ARG A 88 17.683 -8.557 4.498 1.00 0.00 N ATOM 1452 CZ ARG A 88 18.358 -9.629 4.060 1.00 0.00 C ATOM 1453 NH1 ARG A 88 19.649 -9.804 4.336 1.00 0.00 N ATOM 1454 NH2 ARG A 88 17.717 -10.553 3.352 1.00 0.00 N ATOM 0 H ARG A 88 16.279 -3.591 3.271 1.00 0.00 H new ATOM 0 HA ARG A 88 18.206 -4.070 5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.897 -5.148 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.924 -6.187 3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.497 -5.836 6.534 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.209 -6.906 6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.107 -7.138 5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 88 18.398 -8.069 6.411 1.00 0.00 H new ATOM 0 HE ARG A 88 16.745 -8.414 4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 88 20.150 -9.112 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 20.137 -10.630 3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.724 -10.441 3.148 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.218 -11.374 3.012 1.00 0.00 H new ATOM 1468 N HIS A 89 19.248 -4.761 2.279 1.00 0.00 N ATOM 1469 CA HIS A 89 20.415 -5.113 1.486 1.00 0.00 C ATOM 1470 C HIS A 89 21.597 -4.204 1.825 1.00 0.00 C ATOM 1471 O HIS A 89 22.741 -4.660 1.855 1.00 0.00 O ATOM 1472 CB HIS A 89 20.065 -5.001 -0.003 1.00 0.00 C ATOM 1473 CG HIS A 89 20.901 -5.858 -0.915 1.00 0.00 C ATOM 1474 ND1 HIS A 89 21.997 -5.457 -1.653 1.00 0.00 N ATOM 1475 CD2 HIS A 89 20.520 -7.088 -1.379 1.00 0.00 C ATOM 1476 CE1 HIS A 89 22.255 -6.425 -2.548 1.00 0.00 C ATOM 1477 NE2 HIS A 89 21.361 -7.423 -2.444 1.00 0.00 N ATOM 0 H HIS A 89 18.449 -4.470 1.716 1.00 0.00 H new ATOM 0 HA HIS A 89 20.706 -6.138 1.716 1.00 0.00 H new ATOM 0 HB2 HIS A 89 19.017 -5.269 -0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.170 -3.960 -0.309 1.00 0.00 H new ATOM 0 HD2 HIS A 89 19.713 -7.692 -0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 89 23.071 -6.404 -3.256 1.00 0.00 H new ATOM 0 HE2 HIS A 89 21.307 -8.259 -3.026 1.00 0.00 H new ATOM 1485 N LYS A 90 21.332 -2.912 2.030 1.00 0.00 N ATOM 1486 CA LYS A 90 22.371 -1.921 2.281 1.00 0.00 C ATOM 1487 C LYS A 90 22.604 -1.799 3.789 1.00 0.00 C ATOM 1488 O LYS A 90 23.745 -1.835 4.249 1.00 0.00 O ATOM 1489 CB LYS A 90 21.990 -0.587 1.618 1.00 0.00 C ATOM 1490 CG LYS A 90 23.166 0.348 1.278 1.00 0.00 C ATOM 1491 CD LYS A 90 24.003 0.818 2.476 1.00 0.00 C ATOM 1492 CE LYS A 90 25.331 0.046 2.619 1.00 0.00 C ATOM 1493 NZ LYS A 90 25.740 -0.080 4.031 1.00 0.00 N ATOM 0 H LYS A 90 20.388 -2.527 2.026 1.00 0.00 H new ATOM 0 HA LYS A 90 23.315 -2.233 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.443 -0.802 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 90 21.306 -0.055 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 90 23.824 -0.164 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 90 22.773 1.226 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 90 24.216 1.882 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 90 23.420 0.700 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 90 25.224 -0.946 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 90 26.112 0.559 2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.728 -0.402 4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 25.654 0.844 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.127 -0.771 4.510 1.00 0.00 H new ATOM 1507 N LEU A 91 21.537 -1.581 4.557 1.00 0.00 N ATOM 1508 CA LEU A 91 21.593 -1.409 5.982 1.00 0.00 C ATOM 1509 C LEU A 91 21.820 -2.763 6.662 1.00 0.00 C ATOM 1510 O LEU A 91 22.935 -3.283 6.636 1.00 0.00 O ATOM 1511 CB LEU A 91 20.354 -0.661 6.522 1.00 0.00 C ATOM 1512 CG LEU A 91 20.158 0.800 6.073 1.00 0.00 C ATOM 1513 CD1 LEU A 91 21.463 1.589 5.989 1.00 0.00 C ATOM 1514 CD2 LEU A 91 19.395 0.920 4.755 1.00 0.00 C ATOM 0 H LEU A 91 20.591 -1.520 4.181 1.00 0.00 H new ATOM 0 HA LEU A 91 22.443 -0.772 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.467 -1.225 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.399 -0.676 7.611 1.00 0.00 H new ATOM 0 HG LEU A 91 19.551 1.244 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.252 2.609 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 91 21.940 1.609 6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 91 22.130 1.113 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.288 1.972 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.944 0.402 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 91 18.408 0.471 4.864 1.00 0.00 H new ATOM 1526 N ALA A 92 20.776 -3.314 7.290 1.00 0.00 N ATOM 1527 CA ALA A 92 20.861 -4.465 8.181 1.00 0.00 C ATOM 1528 C ALA A 92 21.997 -4.304 9.197 1.00 0.00 C ATOM 1529 O ALA A 92 22.678 -5.276 9.513 1.00 0.00 O ATOM 1530 CB ALA A 92 20.984 -5.755 7.364 1.00 0.00 C ATOM 0 H ALA A 92 19.825 -2.959 7.187 1.00 0.00 H new ATOM 0 HA ALA A 92 19.941 -4.528 8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 92 21.047 -6.609 8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 92 20.110 -5.864 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.883 -5.712 6.749 1.00 0.00 H new ATOM 1536 N MET A 93 22.185 -3.085 9.712 1.00 0.00 N ATOM 1537 CA MET A 93 23.255 -2.771 10.651 1.00 0.00 C ATOM 1538 C MET A 93 22.843 -1.718 11.680 1.00 0.00 C ATOM 1539 O MET A 93 23.706 -1.170 12.370 1.00 0.00 O ATOM 1540 CB MET A 93 24.488 -2.304 9.863 1.00 0.00 C ATOM 1541 CG MET A 93 24.220 -1.030 9.042 1.00 0.00 C ATOM 1542 SD MET A 93 25.636 -0.319 8.166 1.00 0.00 S ATOM 1543 CE MET A 93 26.212 -1.747 7.232 1.00 0.00 C ATOM 0 H MET A 93 21.593 -2.286 9.485 1.00 0.00 H new ATOM 0 HA MET A 93 23.488 -3.675 11.214 1.00 0.00 H new ATOM 0 HB2 MET A 93 25.309 -2.119 10.556 1.00 0.00 H new ATOM 0 HB3 MET A 93 24.810 -3.102 9.194 1.00 0.00 H new ATOM 0 HG2 MET A 93 23.443 -1.253 8.310 1.00 0.00 H new ATOM 0 HG3 MET A 93 23.818 -0.271 9.713 1.00 0.00 H new ATOM 0 HE1 MET A 93 26.952 -1.427 6.498 1.00 0.00 H new ATOM 0 HE2 MET A 93 26.664 -2.469 7.913 1.00 0.00 H new ATOM 0 HE3 MET A 93 25.369 -2.210 6.719 1.00 0.00 H new ATOM 1553 N ASP A 94 21.545 -1.435 11.778 1.00 0.00 N ATOM 1554 CA ASP A 94 20.996 -0.390 12.636 1.00 0.00 C ATOM 1555 C ASP A 94 19.705 -0.889 13.283 1.00 0.00 C ATOM 1556 O ASP A 94 18.703 -0.174 13.359 1.00 0.00 O ATOM 1557 CB ASP A 94 20.771 0.891 11.813 1.00 0.00 C ATOM 1558 CG ASP A 94 20.393 2.064 12.694 1.00 0.00 C ATOM 1559 OD1 ASP A 94 20.892 2.119 13.836 1.00 0.00 O ATOM 1560 OD2 ASP A 94 19.694 2.977 12.206 1.00 0.00 O ATOM 0 H ASP A 94 20.831 -1.938 11.251 1.00 0.00 H new ATOM 0 HA ASP A 94 21.698 -0.150 13.434 1.00 0.00 H new ATOM 0 HB2 ASP A 94 21.678 1.131 11.257 1.00 0.00 H new ATOM 0 HB3 ASP A 94 19.984 0.718 11.079 1.00 0.00 H new ATOM 1565 N THR A 95 19.720 -2.151 13.707 1.00 0.00 N ATOM 1566 CA THR A 95 18.563 -2.796 14.303 1.00 0.00 C ATOM 1567 C THR A 95 17.417 -2.763 13.270 1.00 0.00 C ATOM 1568 O THR A 95 17.687 -3.020 12.092 1.00 0.00 O ATOM 1569 CB THR A 95 18.308 -2.155 15.685 1.00 0.00 C ATOM 1570 OG1 THR A 95 19.554 -1.920 16.324 1.00 0.00 O ATOM 1571 CG2 THR A 95 17.492 -3.054 16.620 1.00 0.00 C ATOM 0 H THR A 95 20.541 -2.753 13.644 1.00 0.00 H new ATOM 0 HA THR A 95 18.697 -3.855 14.525 1.00 0.00 H new ATOM 0 HB THR A 95 17.748 -1.238 15.503 1.00 0.00 H new ATOM 0 HG1 THR A 95 19.400 -1.511 17.201 1.00 0.00 H new ATOM 0 HG21 THR A 95 17.346 -2.549 17.575 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.522 -3.264 16.168 1.00 0.00 H new ATOM 0 HG23 THR A 95 18.026 -3.990 16.783 1.00 0.00 H new ATOM 1579 N TYR A 96 16.180 -2.440 13.668 1.00 0.00 N ATOM 1580 CA TYR A 96 15.005 -2.275 12.814 1.00 0.00 C ATOM 1581 C TYR A 96 14.906 -3.368 11.735 1.00 0.00 C ATOM 1582 O TYR A 96 15.430 -4.470 11.897 1.00 0.00 O ATOM 1583 CB TYR A 96 15.047 -0.842 12.229 1.00 0.00 C ATOM 1584 CG TYR A 96 13.721 -0.202 11.846 1.00 0.00 C ATOM 1585 CD1 TYR A 96 12.694 -0.089 12.802 1.00 0.00 C ATOM 1586 CD2 TYR A 96 13.573 0.428 10.594 1.00 0.00 C ATOM 1587 CE1 TYR A 96 11.535 0.650 12.509 1.00 0.00 C ATOM 1588 CE2 TYR A 96 12.412 1.170 10.305 1.00 0.00 C ATOM 1589 CZ TYR A 96 11.403 1.302 11.275 1.00 0.00 C ATOM 1590 OH TYR A 96 10.259 1.991 11.001 1.00 0.00 O ATOM 0 H TYR A 96 15.964 -2.278 14.652 1.00 0.00 H new ATOM 0 HA TYR A 96 14.095 -2.397 13.401 1.00 0.00 H new ATOM 0 HB2 TYR A 96 15.535 -0.195 12.958 1.00 0.00 H new ATOM 0 HB3 TYR A 96 15.681 -0.859 11.343 1.00 0.00 H new ATOM 0 HD1 TYR A 96 12.797 -0.571 13.763 1.00 0.00 H new ATOM 0 HD2 TYR A 96 14.354 0.341 9.853 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.742 0.716 13.239 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.297 1.638 9.338 1.00 0.00 H new ATOM 0 HH TYR A 96 10.322 2.387 10.107 1.00 0.00 H new ATOM 1600 N LYS A 97 14.240 -3.046 10.627 1.00 0.00 N ATOM 1601 CA LYS A 97 14.344 -3.676 9.319 1.00 0.00 C ATOM 1602 C LYS A 97 13.524 -2.787 8.389 1.00 0.00 C ATOM 1603 O LYS A 97 14.095 -2.045 7.590 1.00 0.00 O ATOM 1604 CB LYS A 97 13.915 -5.156 9.282 1.00 0.00 C ATOM 1605 CG LYS A 97 14.715 -5.938 8.228 1.00 0.00 C ATOM 1606 CD LYS A 97 14.496 -7.454 8.346 1.00 0.00 C ATOM 1607 CE LYS A 97 13.053 -7.916 8.107 1.00 0.00 C ATOM 1608 NZ LYS A 97 12.642 -7.875 6.690 1.00 0.00 N ATOM 0 H LYS A 97 13.565 -2.281 10.624 1.00 0.00 H new ATOM 0 HA LYS A 97 15.387 -3.741 9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.064 -5.606 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.850 -5.224 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.423 -5.606 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.776 -5.715 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.147 -7.958 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.805 -7.775 9.341 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.941 -8.934 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.379 -7.288 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.658 -8.200 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.717 -6.900 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.261 -8.496 6.131 1.00 0.00 H new ATOM 1622 N LEU A 98 12.199 -2.775 8.562 1.00 0.00 N ATOM 1623 CA LEU A 98 11.304 -1.829 7.924 1.00 0.00 C ATOM 1624 C LEU A 98 9.948 -1.860 8.638 1.00 0.00 C ATOM 1625 O LEU A 98 9.073 -2.649 8.287 1.00 0.00 O ATOM 1626 CB LEU A 98 11.211 -2.093 6.407 1.00 0.00 C ATOM 1627 CG LEU A 98 10.546 -0.984 5.569 1.00 0.00 C ATOM 1628 CD1 LEU A 98 9.032 -1.169 5.451 1.00 0.00 C ATOM 1629 CD2 LEU A 98 10.868 0.435 6.056 1.00 0.00 C ATOM 0 H LEU A 98 11.717 -3.441 9.165 1.00 0.00 H new ATOM 0 HA LEU A 98 11.697 -0.817 8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 98 12.218 -2.256 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.658 -3.019 6.253 1.00 0.00 H new ATOM 0 HG LEU A 98 10.986 -1.090 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.612 -0.361 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.818 -2.125 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.585 -1.153 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.365 1.162 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 98 10.523 0.554 7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 98 11.945 0.599 6.014 1.00 0.00 H new ATOM 1641 N ASN A 99 9.801 -0.979 9.631 1.00 0.00 N ATOM 1642 CA ASN A 99 8.698 -0.936 10.588 1.00 0.00 C ATOM 1643 C ASN A 99 8.452 -2.311 11.181 1.00 0.00 C ATOM 1644 O ASN A 99 7.314 -2.518 11.641 1.00 0.00 O ATOM 1645 CB ASN A 99 7.432 -0.245 10.058 1.00 0.00 C ATOM 1646 CG ASN A 99 6.655 -1.019 8.997 1.00 0.00 C ATOM 1647 OD1 ASN A 99 6.528 -0.549 7.865 1.00 0.00 O ATOM 1648 ND2 ASN A 99 6.046 -2.144 9.330 1.00 0.00 N ATOM 1649 OXT ASN A 99 9.483 -2.868 11.611 1.00 0.00 O ATOM 0 H ASN A 99 10.484 -0.240 9.795 1.00 0.00 H new ATOM 0 HA ASN A 99 9.008 -0.284 11.405 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.767 -0.049 10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.714 0.722 9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 99 5.465 -2.631 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 99 6.157 -2.525 10.269 1.00 0.00 H new TER 1656 ASN A 99