USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 748 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 87 ASN : amide:sc= -1.47 K(o=-0.24,f=-10!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 156:sc= 1.23 (180deg=-0.185) USER MOD Set 1.3: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 LYS NZ :NH3+ 165:sc= 0.516 (180deg=0) USER MOD Set 2.2: A 78 ASN : amide:sc= -1.27! K(o=-0.75!,f=-3.1) USER MOD Set 3.1: A 61 TYR OH : rot 116:sc= 2.19 USER MOD Set 3.2: A 65 LYS NZ :NH3+ -128:sc= 2.51 (180deg=-0.115!) USER MOD Set 4.1: A 38 ASN : amide:sc= -1.12 K(o=-0.27,f=-15!) USER MOD Set 4.2: A 39 LYS NZ :NH3+ 175:sc= 0.855 (180deg=-0.586) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.746 (180deg=0.669) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 1.57 (180deg=0.918!) USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= 0.379 (180deg=-2.09!) USER MOD Single : A 15 MET CE :methyl -138:sc= -0.221 (180deg=-1.43) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -1.6! C(o=-1.6!,f=-2.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00924 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.504 K(o=0.5,f=-5.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -109:sc= 0.857 (180deg=-1.12!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00425 USER MOD Single : A 64 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.1!) USER MOD Single : A 67 LYS NZ :NH3+ -103:sc= 1.27 (180deg=-1.93!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0.517 (180deg=0.269) USER MOD Single : A 72 ASN : amide:sc= -1.87 K(o=-1.9,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.829! (180deg=-1.49!) USER MOD Single : A 86 ASN : amide:sc= 1.19 K(o=1.2,f=-0.06) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 1.02 (180deg=0.826) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.061 13.373 6.187 1.00 0.00 N ATOM 2 CA MET A 1 -6.081 14.438 6.242 1.00 0.00 C ATOM 3 C MET A 1 -5.195 14.298 5.038 1.00 0.00 C ATOM 4 O MET A 1 -5.332 13.343 4.286 1.00 0.00 O ATOM 5 CB MET A 1 -5.184 14.311 7.494 1.00 0.00 C ATOM 6 CG MET A 1 -5.912 14.295 8.829 1.00 0.00 C ATOM 7 SD MET A 1 -4.776 14.145 10.233 1.00 0.00 S ATOM 8 CE MET A 1 -5.956 14.086 11.585 1.00 0.00 C ATOM 0 H1 MET A 1 -7.704 13.451 7.001 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.607 13.449 5.305 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.576 12.453 6.215 1.00 0.00 H new ATOM 0 HA MET A 1 -6.600 15.396 6.273 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.600 13.394 7.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.477 15.140 7.497 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.495 15.210 8.933 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.617 13.464 8.845 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.422 13.994 12.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.549 15.001 11.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.615 13.228 11.455 1.00 0.00 H new ATOM 20 N ALA A 2 -4.309 15.239 4.866 1.00 0.00 N ATOM 21 CA ALA A 2 -3.285 15.195 3.862 1.00 0.00 C ATOM 22 C ALA A 2 -2.028 15.515 4.609 1.00 0.00 C ATOM 23 O ALA A 2 -1.659 16.666 4.767 1.00 0.00 O ATOM 24 CB ALA A 2 -3.547 16.200 2.743 1.00 0.00 C ATOM 0 H ALA A 2 -4.279 16.083 5.438 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.236 14.227 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.750 16.136 2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.502 15.975 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.576 17.207 3.158 1.00 0.00 H new ATOM 30 N ARG A 3 -1.498 14.503 5.215 1.00 0.00 N ATOM 31 CA ARG A 3 -0.396 14.643 6.117 1.00 0.00 C ATOM 32 C ARG A 3 0.814 13.811 5.687 1.00 0.00 C ATOM 33 O ARG A 3 1.014 13.562 4.509 1.00 0.00 O ATOM 34 CB ARG A 3 -0.876 14.227 7.494 1.00 0.00 C ATOM 35 CG ARG A 3 -1.355 12.788 7.603 1.00 0.00 C ATOM 36 CD ARG A 3 -1.696 12.495 9.029 1.00 0.00 C ATOM 37 NE ARG A 3 -0.531 12.704 9.893 1.00 0.00 N ATOM 38 CZ ARG A 3 -0.552 13.132 11.146 1.00 0.00 C ATOM 39 NH1 ARG A 3 -1.717 13.377 11.767 1.00 0.00 N ATOM 40 NH2 ARG A 3 0.605 13.342 11.762 1.00 0.00 N ATOM 0 H ARG A 3 -1.821 13.542 5.098 1.00 0.00 H new ATOM 0 HA ARG A 3 -0.061 15.680 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.064 14.378 8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.689 14.888 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.227 12.632 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.580 12.106 7.253 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.515 13.138 9.352 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.044 11.466 9.121 1.00 0.00 H new ATOM 0 HE ARG A 3 0.384 12.500 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.598 13.234 11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.721 13.706 12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.483 13.174 11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.616 13.672 12.727 1.00 0.00 H new ATOM 54 N ASP A 4 1.611 13.417 6.667 1.00 0.00 N ATOM 55 CA ASP A 4 2.807 12.646 6.482 1.00 0.00 C ATOM 56 C ASP A 4 2.464 11.195 6.351 1.00 0.00 C ATOM 57 O ASP A 4 1.419 10.736 6.850 1.00 0.00 O ATOM 58 CB ASP A 4 3.708 12.800 7.703 1.00 0.00 C ATOM 59 CG ASP A 4 3.060 12.241 8.979 1.00 0.00 C ATOM 60 OD1 ASP A 4 2.146 12.902 9.542 1.00 0.00 O ATOM 61 OD2 ASP A 4 3.404 11.122 9.400 1.00 0.00 O ATOM 0 H ASP A 4 1.427 13.639 7.645 1.00 0.00 H new ATOM 0 HA ASP A 4 3.311 13.000 5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.652 12.286 7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.942 13.855 7.849 1.00 0.00 H new ATOM 66 N PHE A 5 3.341 10.482 5.724 1.00 0.00 N ATOM 67 CA PHE A 5 3.194 9.081 5.530 1.00 0.00 C ATOM 68 C PHE A 5 4.525 8.445 5.855 1.00 0.00 C ATOM 69 O PHE A 5 5.574 8.931 5.404 1.00 0.00 O ATOM 70 CB PHE A 5 2.812 8.768 4.095 1.00 0.00 C ATOM 71 CG PHE A 5 1.499 9.341 3.642 1.00 0.00 C ATOM 72 CD1 PHE A 5 1.422 10.616 3.111 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.355 8.585 3.713 1.00 0.00 C ATOM 74 CE1 PHE A 5 0.217 11.119 2.664 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.850 9.075 3.258 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.919 10.344 2.733 1.00 0.00 C ATOM 0 H PHE A 5 4.197 10.867 5.325 1.00 0.00 H new ATOM 0 HA PHE A 5 2.402 8.694 6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.598 9.139 3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.779 7.685 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.313 11.223 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.400 7.591 4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.165 12.119 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.738 8.463 3.314 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.862 10.732 2.376 1.00 0.00 H new ATOM 86 N LYS A 6 4.501 7.422 6.639 1.00 0.00 N ATOM 87 CA LYS A 6 5.704 6.781 7.110 1.00 0.00 C ATOM 88 C LYS A 6 5.569 5.274 7.003 1.00 0.00 C ATOM 89 O LYS A 6 4.447 4.754 7.025 1.00 0.00 O ATOM 90 CB LYS A 6 5.949 7.220 8.561 1.00 0.00 C ATOM 91 CG LYS A 6 4.742 6.977 9.426 1.00 0.00 C ATOM 92 CD LYS A 6 4.581 8.028 10.486 1.00 0.00 C ATOM 93 CE LYS A 6 3.103 8.234 10.765 1.00 0.00 C ATOM 94 NZ LYS A 6 2.388 8.699 9.536 1.00 0.00 N ATOM 0 H LYS A 6 3.641 6.994 6.981 1.00 0.00 H new ATOM 0 HA LYS A 6 6.557 7.075 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.803 6.677 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.205 8.279 8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.849 6.954 8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.827 5.998 9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.096 7.724 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.035 8.963 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.662 7.301 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.978 8.966 11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.441 9.042 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.926 9.470 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.299 7.909 8.866 1.00 0.00 H new ATOM 108 N PRO A 7 6.700 4.551 6.844 1.00 0.00 N ATOM 109 CA PRO A 7 6.703 3.089 6.804 1.00 0.00 C ATOM 110 C PRO A 7 5.912 2.506 7.968 1.00 0.00 C ATOM 111 O PRO A 7 6.208 2.777 9.137 1.00 0.00 O ATOM 112 CB PRO A 7 8.182 2.742 6.949 1.00 0.00 C ATOM 113 CG PRO A 7 8.891 3.894 6.340 1.00 0.00 C ATOM 114 CD PRO A 7 8.059 5.104 6.661 1.00 0.00 C ATOM 0 HA PRO A 7 6.245 2.691 5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.459 2.612 7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.424 1.810 6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.898 3.993 6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.994 3.765 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.412 5.606 7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.089 5.837 5.855 1.00 0.00 H new ATOM 122 N GLY A 8 4.914 1.733 7.646 1.00 0.00 N ATOM 123 CA GLY A 8 4.088 1.160 8.653 1.00 0.00 C ATOM 124 C GLY A 8 2.646 1.628 8.596 1.00 0.00 C ATOM 125 O GLY A 8 1.750 0.851 8.943 1.00 0.00 O ATOM 0 H GLY A 8 4.658 1.489 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.113 0.075 8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.501 1.403 9.632 1.00 0.00 H new ATOM 129 N ASP A 9 2.383 2.862 8.138 1.00 0.00 N ATOM 130 CA ASP A 9 0.987 3.318 8.102 1.00 0.00 C ATOM 131 C ASP A 9 0.207 2.767 6.924 1.00 0.00 C ATOM 132 O ASP A 9 0.762 2.467 5.847 1.00 0.00 O ATOM 133 CB ASP A 9 0.729 4.847 8.339 1.00 0.00 C ATOM 134 CG ASP A 9 1.361 5.826 7.363 1.00 0.00 C ATOM 135 OD1 ASP A 9 1.045 5.790 6.184 1.00 0.00 O ATOM 136 OD2 ASP A 9 2.159 6.695 7.824 1.00 0.00 O ATOM 0 H ASP A 9 3.078 3.530 7.804 1.00 0.00 H new ATOM 0 HA ASP A 9 0.579 2.866 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.348 5.011 8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.081 5.096 9.340 1.00 0.00 H new ATOM 141 N LEU A 10 -1.072 2.570 7.168 1.00 0.00 N ATOM 142 CA LEU A 10 -1.983 1.972 6.224 1.00 0.00 C ATOM 143 C LEU A 10 -2.628 3.023 5.392 1.00 0.00 C ATOM 144 O LEU A 10 -3.214 3.990 5.914 1.00 0.00 O ATOM 145 CB LEU A 10 -3.043 1.162 6.962 1.00 0.00 C ATOM 146 CG LEU A 10 -2.516 0.025 7.830 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.658 -0.727 8.493 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.655 -0.907 7.001 1.00 0.00 C ATOM 0 H LEU A 10 -1.514 2.829 8.050 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.422 1.305 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.619 1.840 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.733 0.745 6.228 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.899 0.449 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.255 -1.533 9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.228 -0.043 9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.311 -1.146 7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.284 -1.716 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.249 -1.324 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.812 -0.353 6.588 1.00 0.00 H new ATOM 160 N ILE A 11 -2.575 2.829 4.116 1.00 0.00 N ATOM 161 CA ILE A 11 -3.034 3.796 3.182 1.00 0.00 C ATOM 162 C ILE A 11 -3.770 3.150 2.001 1.00 0.00 C ATOM 163 O ILE A 11 -4.053 1.950 1.976 1.00 0.00 O ATOM 164 CB ILE A 11 -1.837 4.576 2.598 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.821 3.586 2.051 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.194 5.475 3.645 1.00 0.00 C ATOM 167 CD1 ILE A 11 0.094 4.160 1.038 1.00 0.00 C ATOM 0 H ILE A 11 -2.205 1.980 3.689 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.716 4.453 3.722 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.195 5.220 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.230 3.193 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.352 2.743 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.355 6.009 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.929 6.193 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.837 4.867 4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.788 3.391 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.485 4.527 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.654 4.985 1.479 1.00 0.00 H new ATOM 179 N PHE A 12 -4.079 3.977 1.060 1.00 0.00 N ATOM 180 CA PHE A 12 -4.600 3.615 -0.204 1.00 0.00 C ATOM 181 C PHE A 12 -3.651 4.121 -1.228 1.00 0.00 C ATOM 182 O PHE A 12 -3.210 5.273 -1.157 1.00 0.00 O ATOM 183 CB PHE A 12 -5.964 4.223 -0.463 1.00 0.00 C ATOM 184 CG PHE A 12 -7.113 3.503 0.171 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.664 2.393 -0.447 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.656 3.938 1.355 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.734 1.734 0.108 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.728 3.280 1.919 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.268 2.177 1.292 1.00 0.00 C ATOM 0 H PHE A 12 -3.965 4.985 1.165 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.717 2.532 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.959 5.253 -0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.129 4.260 -1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.247 2.040 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.239 4.803 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.154 0.870 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.145 3.629 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.110 1.663 1.732 1.00 0.00 H new ATOM 199 N ALA A 13 -3.322 3.289 -2.132 1.00 0.00 N ATOM 200 CA ALA A 13 -2.411 3.606 -3.163 1.00 0.00 C ATOM 201 C ALA A 13 -3.146 3.723 -4.451 1.00 0.00 C ATOM 202 O ALA A 13 -3.858 2.810 -4.852 1.00 0.00 O ATOM 203 CB ALA A 13 -1.383 2.537 -3.251 1.00 0.00 C ATOM 0 H ALA A 13 -3.688 2.338 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.920 4.555 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.676 2.776 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.851 2.465 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.866 1.585 -3.470 1.00 0.00 H new ATOM 209 N LYS A 14 -3.012 4.834 -5.081 1.00 0.00 N ATOM 210 CA LYS A 14 -3.670 5.064 -6.293 1.00 0.00 C ATOM 211 C LYS A 14 -2.660 5.074 -7.440 1.00 0.00 C ATOM 212 O LYS A 14 -1.765 5.934 -7.483 1.00 0.00 O ATOM 213 CB LYS A 14 -4.427 6.396 -6.163 1.00 0.00 C ATOM 214 CG LYS A 14 -5.291 6.777 -7.343 1.00 0.00 C ATOM 215 CD LYS A 14 -4.488 7.181 -8.568 1.00 0.00 C ATOM 216 CE LYS A 14 -3.936 8.605 -8.518 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.854 8.757 -7.505 1.00 0.00 N ATOM 0 H LYS A 14 -2.434 5.610 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.385 4.272 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.057 6.349 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.700 7.191 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.935 5.936 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.943 7.602 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.657 6.486 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.119 7.079 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.551 8.878 -9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.745 9.298 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.180 9.483 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.268 9.044 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.357 7.851 -7.389 1.00 0.00 H new ATOM 231 N MET A 15 -2.848 4.176 -8.380 1.00 0.00 N ATOM 232 CA MET A 15 -2.028 4.109 -9.580 1.00 0.00 C ATOM 233 C MET A 15 -2.887 4.424 -10.785 1.00 0.00 C ATOM 234 O MET A 15 -4.104 4.307 -10.724 1.00 0.00 O ATOM 235 CB MET A 15 -1.372 2.742 -9.776 1.00 0.00 C ATOM 236 CG MET A 15 -0.415 2.333 -8.684 1.00 0.00 C ATOM 237 SD MET A 15 0.546 0.870 -9.123 1.00 0.00 S ATOM 238 CE MET A 15 -0.751 -0.340 -9.395 1.00 0.00 C ATOM 0 H MET A 15 -3.578 3.464 -8.338 1.00 0.00 H new ATOM 0 HA MET A 15 -1.227 4.839 -9.466 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.155 1.988 -9.854 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.837 2.745 -10.725 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.263 3.159 -8.471 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.974 2.136 -7.770 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.458 -1.293 -8.953 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.675 0.006 -8.932 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.909 -0.470 -10.466 1.00 0.00 H new ATOM 248 N LYS A 16 -2.263 4.844 -11.861 1.00 0.00 N ATOM 249 CA LYS A 16 -2.984 5.178 -13.080 1.00 0.00 C ATOM 250 C LYS A 16 -3.623 3.925 -13.683 1.00 0.00 C ATOM 251 O LYS A 16 -2.928 2.984 -14.033 1.00 0.00 O ATOM 252 CB LYS A 16 -2.037 5.810 -14.094 1.00 0.00 C ATOM 253 CG LYS A 16 -2.750 6.308 -15.341 1.00 0.00 C ATOM 254 CD LYS A 16 -1.784 6.841 -16.375 1.00 0.00 C ATOM 255 CE LYS A 16 -1.026 8.076 -15.896 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.104 8.598 -16.944 1.00 0.00 N ATOM 0 H LYS A 16 -1.252 4.965 -11.923 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.770 5.891 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.513 6.643 -13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.281 5.079 -14.382 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.332 5.494 -15.775 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.455 7.093 -15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.069 6.060 -16.635 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.332 7.087 -17.285 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.737 8.854 -15.617 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.456 7.829 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.393 9.437 -16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.590 7.864 -17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.651 8.858 -17.790 1.00 0.00 H new ATOM 270 N GLY A 17 -4.943 3.920 -13.763 1.00 0.00 N ATOM 271 CA GLY A 17 -5.656 2.790 -14.341 1.00 0.00 C ATOM 272 C GLY A 17 -6.130 1.825 -13.276 1.00 0.00 C ATOM 273 O GLY A 17 -6.833 0.829 -13.558 1.00 0.00 O ATOM 0 H GLY A 17 -5.541 4.680 -13.438 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.512 3.152 -14.911 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.004 2.268 -15.042 1.00 0.00 H new ATOM 277 N TYR A 18 -5.763 2.113 -12.058 1.00 0.00 N ATOM 278 CA TYR A 18 -6.108 1.302 -10.935 1.00 0.00 C ATOM 279 C TYR A 18 -6.895 2.133 -9.946 1.00 0.00 C ATOM 280 O TYR A 18 -6.743 3.353 -9.902 1.00 0.00 O ATOM 281 CB TYR A 18 -4.839 0.745 -10.260 1.00 0.00 C ATOM 282 CG TYR A 18 -4.042 -0.227 -11.111 1.00 0.00 C ATOM 283 CD1 TYR A 18 -3.165 0.222 -12.093 1.00 0.00 C ATOM 284 CD2 TYR A 18 -4.169 -1.597 -10.927 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.443 -0.662 -12.863 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.447 -2.489 -11.696 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.587 -2.013 -12.663 1.00 0.00 C ATOM 288 OH TYR A 18 -1.861 -2.890 -13.425 1.00 0.00 O ATOM 0 H TYR A 18 -5.206 2.933 -11.819 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.713 0.461 -11.274 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.194 1.580 -9.985 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.126 0.246 -9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.048 1.283 -12.254 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.843 -1.971 -10.171 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.767 -0.295 -13.621 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.555 -3.552 -11.541 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.076 -3.809 -13.160 1.00 0.00 H new ATOM 298 N PRO A 19 -7.772 1.503 -9.172 1.00 0.00 N ATOM 299 CA PRO A 19 -8.508 2.186 -8.129 1.00 0.00 C ATOM 300 C PRO A 19 -7.608 2.394 -6.922 1.00 0.00 C ATOM 301 O PRO A 19 -6.467 1.901 -6.903 1.00 0.00 O ATOM 302 CB PRO A 19 -9.630 1.203 -7.791 1.00 0.00 C ATOM 303 CG PRO A 19 -9.045 -0.132 -8.071 1.00 0.00 C ATOM 304 CD PRO A 19 -8.111 0.064 -9.230 1.00 0.00 C ATOM 0 HA PRO A 19 -8.877 3.168 -8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.936 1.292 -6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.515 1.385 -8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.513 -0.516 -7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.823 -0.856 -8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.222 -0.560 -9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.587 -0.197 -10.175 1.00 0.00 H new ATOM 312 N HIS A 20 -8.074 3.156 -5.958 1.00 0.00 N ATOM 313 CA HIS A 20 -7.337 3.320 -4.727 1.00 0.00 C ATOM 314 C HIS A 20 -7.251 1.943 -4.049 1.00 0.00 C ATOM 315 O HIS A 20 -8.255 1.401 -3.606 1.00 0.00 O ATOM 316 CB HIS A 20 -8.039 4.339 -3.806 1.00 0.00 C ATOM 317 CG HIS A 20 -7.896 5.770 -4.241 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.677 6.386 -5.204 1.00 0.00 N ATOM 319 CD2 HIS A 20 -7.012 6.705 -3.834 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.234 7.643 -5.349 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.226 7.883 -4.543 1.00 0.00 N ATOM 0 H HIS A 20 -8.955 3.669 -6.002 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.337 3.703 -4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.099 4.092 -3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.637 4.236 -2.798 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -9.451 5.959 -5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.256 6.561 -3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.651 8.363 -6.038 1.00 0.00 H new ATOM 329 N TRP A 21 -6.070 1.395 -4.011 1.00 0.00 N ATOM 330 CA TRP A 21 -5.836 0.045 -3.555 1.00 0.00 C ATOM 331 C TRP A 21 -5.347 0.080 -2.118 1.00 0.00 C ATOM 332 O TRP A 21 -4.539 0.936 -1.779 1.00 0.00 O ATOM 333 CB TRP A 21 -4.742 -0.561 -4.447 1.00 0.00 C ATOM 334 CG TRP A 21 -4.667 -2.056 -4.450 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.189 -2.879 -3.467 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.052 -2.901 -5.528 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.293 -4.190 -3.865 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.811 -4.225 -5.133 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.590 -2.657 -6.794 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.089 -5.302 -5.962 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.864 -3.726 -7.615 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.614 -5.034 -7.196 1.00 0.00 C ATOM 0 H TRP A 21 -5.221 1.881 -4.301 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.751 -0.546 -3.607 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.902 -0.221 -5.470 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.777 -0.167 -4.127 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.790 -2.548 -2.520 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.028 -5.003 -3.308 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.787 -1.647 -7.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.898 -6.316 -5.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.278 -3.551 -8.597 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.841 -5.853 -7.862 1.00 0.00 H new ATOM 353 N PRO A 22 -5.832 -0.812 -1.248 1.00 0.00 N ATOM 354 CA PRO A 22 -5.359 -0.877 0.130 1.00 0.00 C ATOM 355 C PRO A 22 -3.876 -1.265 0.160 1.00 0.00 C ATOM 356 O PRO A 22 -3.486 -2.357 -0.294 1.00 0.00 O ATOM 357 CB PRO A 22 -6.226 -1.977 0.770 1.00 0.00 C ATOM 358 CG PRO A 22 -6.789 -2.756 -0.373 1.00 0.00 C ATOM 359 CD PRO A 22 -6.869 -1.812 -1.538 1.00 0.00 C ATOM 0 HA PRO A 22 -5.441 0.074 0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.631 -2.614 1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.020 -1.546 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.155 -3.610 -0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.775 -3.150 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.679 -2.324 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.855 -1.355 -1.616 1.00 0.00 H new ATOM 367 N ALA A 23 -3.062 -0.388 0.673 1.00 0.00 N ATOM 368 CA ALA A 23 -1.661 -0.571 0.672 1.00 0.00 C ATOM 369 C ALA A 23 -1.066 -0.035 1.951 1.00 0.00 C ATOM 370 O ALA A 23 -1.746 0.603 2.740 1.00 0.00 O ATOM 371 CB ALA A 23 -1.079 0.137 -0.519 1.00 0.00 C ATOM 0 H ALA A 23 -3.369 0.483 1.107 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.427 -1.634 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.003 0.002 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.505 -0.277 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.312 1.200 -0.460 1.00 0.00 H new ATOM 377 N ARG A 24 0.154 -0.349 2.191 1.00 0.00 N ATOM 378 CA ARG A 24 0.849 0.164 3.343 1.00 0.00 C ATOM 379 C ARG A 24 2.099 0.840 2.855 1.00 0.00 C ATOM 380 O ARG A 24 2.643 0.438 1.818 1.00 0.00 O ATOM 381 CB ARG A 24 1.254 -0.986 4.276 1.00 0.00 C ATOM 382 CG ARG A 24 1.918 -0.536 5.570 1.00 0.00 C ATOM 383 CD ARG A 24 2.548 -1.692 6.316 1.00 0.00 C ATOM 384 NE ARG A 24 3.644 -2.286 5.541 1.00 0.00 N ATOM 385 CZ ARG A 24 4.879 -2.528 6.006 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.192 -2.310 7.279 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.799 -2.984 5.200 1.00 0.00 N ATOM 0 H ARG A 24 0.711 -0.968 1.602 1.00 0.00 H new ATOM 0 HA ARG A 24 0.204 0.854 3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.367 -1.570 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.935 -1.649 3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.681 0.210 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.178 -0.053 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.925 -1.346 7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.793 -2.450 6.524 1.00 0.00 H new ATOM 0 HE ARG A 24 3.451 -2.535 4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.487 -1.952 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.137 -2.501 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.578 -3.156 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.739 -3.169 5.551 1.00 0.00 H new ATOM 401 N VAL A 25 2.536 1.869 3.534 1.00 0.00 N ATOM 402 CA VAL A 25 3.830 2.415 3.234 1.00 0.00 C ATOM 403 C VAL A 25 4.829 1.397 3.769 1.00 0.00 C ATOM 404 O VAL A 25 4.820 1.079 4.965 1.00 0.00 O ATOM 405 CB VAL A 25 4.066 3.799 3.884 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.420 4.364 3.465 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.956 4.764 3.504 1.00 0.00 C ATOM 0 H VAL A 25 2.026 2.337 4.283 1.00 0.00 H new ATOM 0 HA VAL A 25 3.931 2.583 2.162 1.00 0.00 H new ATOM 0 HB VAL A 25 4.061 3.672 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.568 5.338 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.212 3.685 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.449 4.473 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.140 5.732 3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.932 4.882 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.999 4.371 3.848 1.00 0.00 H new ATOM 417 N ASP A 26 5.623 0.854 2.894 1.00 0.00 N ATOM 418 CA ASP A 26 6.500 -0.255 3.232 1.00 0.00 C ATOM 419 C ASP A 26 7.793 0.284 3.835 1.00 0.00 C ATOM 420 O ASP A 26 8.017 1.507 3.827 1.00 0.00 O ATOM 421 CB ASP A 26 6.774 -1.091 1.976 1.00 0.00 C ATOM 422 CG ASP A 26 7.166 -2.514 2.288 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.274 -3.328 2.658 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.337 -2.849 2.217 1.00 0.00 O ATOM 0 H ASP A 26 5.689 1.159 1.923 1.00 0.00 H new ATOM 0 HA ASP A 26 6.023 -0.899 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.883 -1.095 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.569 -0.619 1.399 1.00 0.00 H new ATOM 429 N GLU A 27 8.641 -0.577 4.339 1.00 0.00 N ATOM 430 CA GLU A 27 9.828 -0.118 5.006 1.00 0.00 C ATOM 431 C GLU A 27 11.083 -0.385 4.205 1.00 0.00 C ATOM 432 O GLU A 27 11.266 -1.456 3.630 1.00 0.00 O ATOM 433 CB GLU A 27 9.965 -0.614 6.478 1.00 0.00 C ATOM 434 CG GLU A 27 9.993 -2.135 6.714 1.00 0.00 C ATOM 435 CD GLU A 27 8.655 -2.802 6.514 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.795 -2.732 7.409 1.00 0.00 O ATOM 437 OE2 GLU A 27 8.425 -3.410 5.453 1.00 0.00 O ATOM 0 H GLU A 27 8.531 -1.590 4.300 1.00 0.00 H new ATOM 0 HA GLU A 27 9.707 0.963 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.881 -0.192 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.136 -0.199 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.719 -2.586 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.339 -2.330 7.729 1.00 0.00 H new ATOM 444 N VAL A 28 11.931 0.612 4.158 1.00 0.00 N ATOM 445 CA VAL A 28 13.187 0.520 3.465 1.00 0.00 C ATOM 446 C VAL A 28 14.194 -0.068 4.415 1.00 0.00 C ATOM 447 O VAL A 28 14.357 0.435 5.534 1.00 0.00 O ATOM 448 CB VAL A 28 13.686 1.911 3.009 1.00 0.00 C ATOM 449 CG1 VAL A 28 14.976 1.808 2.195 1.00 0.00 C ATOM 450 CG2 VAL A 28 12.615 2.605 2.222 1.00 0.00 C ATOM 0 H VAL A 28 11.766 1.515 4.603 1.00 0.00 H new ATOM 0 HA VAL A 28 13.059 -0.100 2.578 1.00 0.00 H new ATOM 0 HB VAL A 28 13.911 2.499 3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.296 2.805 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.754 1.346 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.799 1.199 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.974 3.584 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.363 2.008 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.728 2.728 2.844 1.00 0.00 H new ATOM 460 N PRO A 29 14.844 -1.148 4.029 1.00 0.00 N ATOM 461 CA PRO A 29 15.811 -1.776 4.874 1.00 0.00 C ATOM 462 C PRO A 29 17.098 -0.976 4.982 1.00 0.00 C ATOM 463 O PRO A 29 17.564 -0.390 3.999 1.00 0.00 O ATOM 464 CB PRO A 29 16.087 -3.123 4.214 1.00 0.00 C ATOM 465 CG PRO A 29 15.666 -2.970 2.790 1.00 0.00 C ATOM 466 CD PRO A 29 14.662 -1.848 2.746 1.00 0.00 C ATOM 0 HA PRO A 29 15.435 -1.864 5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.143 -3.384 4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.528 -3.921 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.524 -2.745 2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.227 -3.895 2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.844 -1.184 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.646 -2.227 2.640 1.00 0.00 H new ATOM 474 N ASP A 30 17.655 -0.946 6.169 1.00 0.00 N ATOM 475 CA ASP A 30 18.941 -0.315 6.376 1.00 0.00 C ATOM 476 C ASP A 30 19.998 -1.158 5.699 1.00 0.00 C ATOM 477 O ASP A 30 19.842 -2.386 5.573 1.00 0.00 O ATOM 478 CB ASP A 30 19.258 -0.141 7.863 1.00 0.00 C ATOM 479 CG ASP A 30 20.631 0.474 8.085 1.00 0.00 C ATOM 480 OD1 ASP A 30 20.922 1.516 7.454 1.00 0.00 O ATOM 481 OD2 ASP A 30 21.428 -0.108 8.835 1.00 0.00 O ATOM 0 H ASP A 30 17.240 -1.351 7.008 1.00 0.00 H new ATOM 0 HA ASP A 30 18.921 0.685 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.499 0.491 8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.210 -1.110 8.360 1.00 0.00 H new ATOM 486 N GLY A 31 21.018 -0.522 5.215 1.00 0.00 N ATOM 487 CA GLY A 31 22.033 -1.216 4.483 1.00 0.00 C ATOM 488 C GLY A 31 21.764 -1.191 2.990 1.00 0.00 C ATOM 489 O GLY A 31 22.651 -1.495 2.183 1.00 0.00 O ATOM 0 H GLY A 31 21.171 0.482 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.003 -0.762 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 31 22.087 -2.249 4.826 1.00 0.00 H new ATOM 493 N ALA A 32 20.530 -0.856 2.612 1.00 0.00 N ATOM 494 CA ALA A 32 20.172 -0.744 1.214 1.00 0.00 C ATOM 495 C ALA A 32 20.894 0.430 0.569 1.00 0.00 C ATOM 496 O ALA A 32 20.725 1.572 0.963 1.00 0.00 O ATOM 497 CB ALA A 32 18.668 -0.606 1.040 1.00 0.00 C ATOM 0 H ALA A 32 19.768 -0.659 3.261 1.00 0.00 H new ATOM 0 HA ALA A 32 20.485 -1.661 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 32 18.430 -0.524 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 32 18.172 -1.483 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 32 18.322 0.288 1.559 1.00 0.00 H new ATOM 503 N VAL A 33 21.706 0.126 -0.425 1.00 0.00 N ATOM 504 CA VAL A 33 22.482 1.137 -1.143 1.00 0.00 C ATOM 505 C VAL A 33 21.638 1.888 -2.184 1.00 0.00 C ATOM 506 O VAL A 33 22.147 2.714 -2.945 1.00 0.00 O ATOM 507 CB VAL A 33 23.726 0.522 -1.828 1.00 0.00 C ATOM 508 CG1 VAL A 33 24.701 -0.012 -0.787 1.00 0.00 C ATOM 509 CG2 VAL A 33 23.328 -0.588 -2.801 1.00 0.00 C ATOM 0 H VAL A 33 21.851 -0.826 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 33 22.812 1.854 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 33 24.218 1.311 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 33 25.569 -0.441 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.022 0.802 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.211 -0.781 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.222 -1.001 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 33 22.804 -1.376 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 33 22.673 -0.180 -3.571 1.00 0.00 H new ATOM 519 N LYS A 34 20.387 1.528 -2.277 1.00 0.00 N ATOM 520 CA LYS A 34 19.458 2.200 -3.128 1.00 0.00 C ATOM 521 C LYS A 34 18.564 3.103 -2.291 1.00 0.00 C ATOM 522 O LYS A 34 17.853 2.624 -1.408 1.00 0.00 O ATOM 523 CB LYS A 34 18.610 1.178 -3.894 1.00 0.00 C ATOM 524 CG LYS A 34 19.438 0.133 -4.630 1.00 0.00 C ATOM 525 CD LYS A 34 20.527 0.802 -5.438 1.00 0.00 C ATOM 526 CE LYS A 34 21.365 -0.186 -6.227 1.00 0.00 C ATOM 527 NZ LYS A 34 22.452 0.502 -6.978 1.00 0.00 N ATOM 0 H LYS A 34 19.984 0.749 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 34 20.005 2.807 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.942 0.675 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.982 1.704 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 34 19.880 -0.561 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.796 -0.453 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 34 20.076 1.518 -6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 34 21.175 1.367 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 34 21.798 -0.921 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.728 -0.731 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.007 -0.201 -7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 22.036 1.186 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 23.073 1.002 -6.310 1.00 0.00 H new ATOM 541 N PRO A 35 18.612 4.411 -2.542 1.00 0.00 N ATOM 542 CA PRO A 35 17.788 5.372 -1.830 1.00 0.00 C ATOM 543 C PRO A 35 16.373 5.459 -2.433 1.00 0.00 C ATOM 544 O PRO A 35 16.127 4.942 -3.535 1.00 0.00 O ATOM 545 CB PRO A 35 18.550 6.688 -2.038 1.00 0.00 C ATOM 546 CG PRO A 35 19.230 6.537 -3.352 1.00 0.00 C ATOM 547 CD PRO A 35 19.488 5.064 -3.540 1.00 0.00 C ATOM 0 HA PRO A 35 17.638 5.112 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.871 7.541 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.271 6.857 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.607 6.926 -4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.164 7.099 -3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.245 4.743 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 35 20.536 4.819 -3.371 1.00 0.00 H new ATOM 555 N PRO A 36 15.415 6.094 -1.714 1.00 0.00 N ATOM 556 CA PRO A 36 14.055 6.262 -2.210 1.00 0.00 C ATOM 557 C PRO A 36 14.018 7.049 -3.526 1.00 0.00 C ATOM 558 O PRO A 36 14.768 8.005 -3.722 1.00 0.00 O ATOM 559 CB PRO A 36 13.335 7.039 -1.093 1.00 0.00 C ATOM 560 CG PRO A 36 14.419 7.600 -0.236 1.00 0.00 C ATOM 561 CD PRO A 36 15.586 6.666 -0.368 1.00 0.00 C ATOM 0 HA PRO A 36 13.586 5.303 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.711 7.832 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.680 6.384 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.688 8.606 -0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.095 7.673 0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.535 7.193 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.572 5.894 0.401 1.00 0.00 H new ATOM 569 N THR A 37 13.107 6.665 -4.384 1.00 0.00 N ATOM 570 CA THR A 37 12.939 7.203 -5.726 1.00 0.00 C ATOM 571 C THR A 37 12.321 8.626 -5.726 1.00 0.00 C ATOM 572 O THR A 37 11.951 9.123 -6.766 1.00 0.00 O ATOM 573 CB THR A 37 12.008 6.259 -6.490 1.00 0.00 C ATOM 574 OG1 THR A 37 12.405 4.909 -6.212 1.00 0.00 O ATOM 575 CG2 THR A 37 12.084 6.510 -7.995 1.00 0.00 C ATOM 0 H THR A 37 12.428 5.937 -4.164 1.00 0.00 H new ATOM 0 HA THR A 37 13.921 7.279 -6.192 1.00 0.00 H new ATOM 0 HB THR A 37 10.981 6.435 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.817 4.290 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.412 5.825 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.789 7.538 -8.208 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.105 6.347 -8.340 1.00 0.00 H new ATOM 583 N ASN A 38 12.208 9.227 -4.537 1.00 0.00 N ATOM 584 CA ASN A 38 11.526 10.535 -4.250 1.00 0.00 C ATOM 585 C ASN A 38 10.075 10.290 -3.995 1.00 0.00 C ATOM 586 O ASN A 38 9.259 11.194 -3.851 1.00 0.00 O ATOM 587 CB ASN A 38 11.793 11.682 -5.300 1.00 0.00 C ATOM 588 CG ASN A 38 10.971 11.696 -6.640 1.00 0.00 C ATOM 589 OD1 ASN A 38 9.788 11.308 -6.736 1.00 0.00 O ATOM 590 ND2 ASN A 38 11.634 12.107 -7.697 1.00 0.00 N ATOM 0 H ASN A 38 12.602 8.810 -3.694 1.00 0.00 H new ATOM 0 HA ASN A 38 11.985 10.940 -3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.620 12.634 -4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.850 11.648 -5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.183 12.112 -8.612 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.600 12.421 -7.603 1.00 0.00 H new ATOM 597 N LYS A 39 9.792 9.034 -3.887 1.00 0.00 N ATOM 598 CA LYS A 39 8.495 8.529 -3.616 1.00 0.00 C ATOM 599 C LYS A 39 8.579 7.529 -2.515 1.00 0.00 C ATOM 600 O LYS A 39 9.683 7.105 -2.132 1.00 0.00 O ATOM 601 CB LYS A 39 7.906 7.906 -4.861 1.00 0.00 C ATOM 602 CG LYS A 39 7.645 8.922 -5.922 1.00 0.00 C ATOM 603 CD LYS A 39 7.101 8.320 -7.174 1.00 0.00 C ATOM 604 CE LYS A 39 6.805 9.415 -8.153 1.00 0.00 C ATOM 605 NZ LYS A 39 8.032 10.189 -8.500 1.00 0.00 N ATOM 0 H LYS A 39 10.494 8.302 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 39 7.842 9.345 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.588 7.147 -5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.975 7.399 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.941 9.663 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.571 9.450 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.820 7.620 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.195 7.754 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.376 8.987 -9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.057 10.087 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.807 10.882 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.379 10.686 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.767 9.539 -8.845 1.00 0.00 H new ATOM 619 N LEU A 40 7.452 7.138 -2.033 1.00 0.00 N ATOM 620 CA LEU A 40 7.375 6.233 -0.920 1.00 0.00 C ATOM 621 C LEU A 40 7.127 4.825 -1.416 1.00 0.00 C ATOM 622 O LEU A 40 6.408 4.638 -2.407 1.00 0.00 O ATOM 623 CB LEU A 40 6.256 6.667 0.032 1.00 0.00 C ATOM 624 CG LEU A 40 6.423 8.048 0.680 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.184 8.414 1.460 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.633 8.069 1.602 1.00 0.00 C ATOM 0 H LEU A 40 6.546 7.434 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 40 8.321 6.252 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.314 6.657 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.171 5.923 0.824 1.00 0.00 H new ATOM 0 HG LEU A 40 6.576 8.778 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.317 9.396 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.325 8.438 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.014 7.673 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.732 9.058 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.504 7.325 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.531 7.839 1.029 1.00 0.00 H new ATOM 638 N PRO A 41 7.758 3.820 -0.781 1.00 0.00 N ATOM 639 CA PRO A 41 7.526 2.425 -1.122 1.00 0.00 C ATOM 640 C PRO A 41 6.130 2.017 -0.666 1.00 0.00 C ATOM 641 O PRO A 41 5.770 2.165 0.503 1.00 0.00 O ATOM 642 CB PRO A 41 8.609 1.670 -0.334 1.00 0.00 C ATOM 643 CG PRO A 41 8.960 2.567 0.801 1.00 0.00 C ATOM 644 CD PRO A 41 8.736 3.972 0.318 1.00 0.00 C ATOM 0 HA PRO A 41 7.579 2.220 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.239 0.709 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.479 1.465 -0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.340 2.352 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.997 2.422 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.348 4.610 1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.663 4.426 -0.032 1.00 0.00 H new ATOM 652 N ILE A 42 5.348 1.549 -1.575 1.00 0.00 N ATOM 653 CA ILE A 42 3.985 1.213 -1.298 1.00 0.00 C ATOM 654 C ILE A 42 3.776 -0.273 -1.495 1.00 0.00 C ATOM 655 O ILE A 42 3.923 -0.777 -2.597 1.00 0.00 O ATOM 656 CB ILE A 42 3.031 1.972 -2.248 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.305 3.492 -2.246 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.590 1.691 -1.885 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.133 4.167 -0.901 1.00 0.00 C ATOM 0 H ILE A 42 5.633 1.385 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 42 3.768 1.494 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 42 3.218 1.609 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.323 3.664 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.637 3.968 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.931 2.233 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.396 0.622 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.403 2.015 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.346 5.231 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.108 4.033 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.820 3.723 -0.181 1.00 0.00 H new ATOM 671 N PHE A 43 3.433 -0.943 -0.450 1.00 0.00 N ATOM 672 CA PHE A 43 3.199 -2.372 -0.488 1.00 0.00 C ATOM 673 C PHE A 43 1.725 -2.625 -0.698 1.00 0.00 C ATOM 674 O PHE A 43 0.906 -2.246 0.147 1.00 0.00 O ATOM 675 CB PHE A 43 3.651 -3.027 0.827 1.00 0.00 C ATOM 676 CG PHE A 43 3.469 -4.528 0.877 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.456 -5.369 0.395 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.313 -5.094 1.410 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.301 -6.740 0.442 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.153 -6.464 1.454 1.00 0.00 C ATOM 681 CZ PHE A 43 3.146 -7.286 0.971 1.00 0.00 C ATOM 0 H PHE A 43 3.302 -0.524 0.471 1.00 0.00 H new ATOM 0 HA PHE A 43 3.773 -2.805 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.704 -2.796 0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.095 -2.579 1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.358 -4.948 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.533 -4.453 1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.081 -7.385 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.251 -6.890 1.867 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.023 -8.358 1.005 1.00 0.00 H new ATOM 691 N PHE A 44 1.388 -3.222 -1.809 1.00 0.00 N ATOM 692 CA PHE A 44 -0.005 -3.559 -2.095 1.00 0.00 C ATOM 693 C PHE A 44 -0.413 -4.840 -1.410 1.00 0.00 C ATOM 694 O PHE A 44 0.246 -5.881 -1.555 1.00 0.00 O ATOM 695 CB PHE A 44 -0.266 -3.742 -3.580 1.00 0.00 C ATOM 696 CG PHE A 44 -0.066 -2.542 -4.417 1.00 0.00 C ATOM 697 CD1 PHE A 44 -0.947 -1.482 -4.352 1.00 0.00 C ATOM 698 CD2 PHE A 44 0.978 -2.487 -5.301 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.778 -0.386 -5.156 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.155 -1.402 -6.100 1.00 0.00 C ATOM 701 CZ PHE A 44 0.276 -0.344 -6.031 1.00 0.00 C ATOM 0 H PHE A 44 2.049 -3.490 -2.539 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.587 -2.717 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.386 -4.533 -3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.292 -4.087 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.777 -1.517 -3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.669 -3.315 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.471 0.440 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.986 -1.369 -6.790 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.417 0.518 -6.666 1.00 0.00 H new ATOM 711 N PHE A 45 -1.504 -4.791 -0.711 1.00 0.00 N ATOM 712 CA PHE A 45 -2.032 -5.964 -0.082 1.00 0.00 C ATOM 713 C PHE A 45 -2.788 -6.798 -1.105 1.00 0.00 C ATOM 714 O PHE A 45 -3.302 -6.262 -2.099 1.00 0.00 O ATOM 715 CB PHE A 45 -2.937 -5.593 1.083 1.00 0.00 C ATOM 716 CG PHE A 45 -2.205 -4.994 2.229 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.522 -5.799 3.106 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.190 -3.638 2.426 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.839 -5.263 4.162 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.505 -3.093 3.485 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.826 -3.909 4.357 1.00 0.00 C ATOM 0 H PHE A 45 -2.051 -3.944 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.205 -6.553 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.694 -4.889 0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.463 -6.485 1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.524 -6.869 2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.721 -2.992 1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.308 -5.910 4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.500 -2.023 3.632 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.286 -3.485 5.190 1.00 0.00 H new ATOM 731 N GLY A 46 -2.810 -8.092 -0.895 1.00 0.00 N ATOM 732 CA GLY A 46 -3.502 -9.024 -1.766 1.00 0.00 C ATOM 733 C GLY A 46 -2.722 -9.388 -3.012 1.00 0.00 C ATOM 734 O GLY A 46 -2.997 -10.403 -3.646 1.00 0.00 O ATOM 0 H GLY A 46 -2.343 -8.538 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.723 -9.934 -1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.458 -8.591 -2.060 1.00 0.00 H new ATOM 738 N THR A 47 -1.761 -8.578 -3.379 1.00 0.00 N ATOM 739 CA THR A 47 -0.906 -8.910 -4.488 1.00 0.00 C ATOM 740 C THR A 47 0.539 -9.012 -4.035 1.00 0.00 C ATOM 741 O THR A 47 1.319 -9.735 -4.619 1.00 0.00 O ATOM 742 CB THR A 47 -1.020 -7.838 -5.587 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.922 -6.539 -4.980 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.339 -7.947 -6.335 1.00 0.00 C ATOM 0 H THR A 47 -1.552 -7.688 -2.927 1.00 0.00 H new ATOM 0 HA THR A 47 -1.224 -9.874 -4.886 1.00 0.00 H new ATOM 0 HB THR A 47 -0.213 -7.989 -6.304 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.992 -5.848 -5.672 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.386 -7.175 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.412 -8.929 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.165 -7.815 -5.637 1.00 0.00 H new ATOM 752 N HIS A 48 0.852 -8.329 -2.913 1.00 0.00 N ATOM 753 CA HIS A 48 2.209 -8.284 -2.323 1.00 0.00 C ATOM 754 C HIS A 48 3.189 -7.526 -3.196 1.00 0.00 C ATOM 755 O HIS A 48 4.393 -7.557 -2.960 1.00 0.00 O ATOM 756 CB HIS A 48 2.752 -9.677 -1.948 1.00 0.00 C ATOM 757 CG HIS A 48 2.096 -10.280 -0.749 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.804 -10.841 0.295 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.788 -10.435 -0.432 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.955 -11.312 1.188 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.734 -11.078 0.770 1.00 0.00 N ATOM 0 H HIS A 48 0.165 -7.789 -2.387 1.00 0.00 H new ATOM 0 HA HIS A 48 2.104 -7.730 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.621 -10.348 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.824 -9.601 -1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.056 -10.110 -1.022 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.221 -11.808 2.110 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.120 -11.336 1.265 1.00 0.00 H new ATOM 770 N GLU A 49 2.649 -6.806 -4.159 1.00 0.00 N ATOM 771 CA GLU A 49 3.434 -5.995 -5.056 1.00 0.00 C ATOM 772 C GLU A 49 3.873 -4.743 -4.371 1.00 0.00 C ATOM 773 O GLU A 49 3.326 -4.358 -3.336 1.00 0.00 O ATOM 774 CB GLU A 49 2.631 -5.630 -6.290 1.00 0.00 C ATOM 775 CG GLU A 49 2.485 -6.750 -7.280 1.00 0.00 C ATOM 776 CD GLU A 49 3.820 -7.147 -7.862 1.00 0.00 C ATOM 777 OE1 GLU A 49 4.264 -6.481 -8.815 1.00 0.00 O ATOM 778 OE2 GLU A 49 4.428 -8.101 -7.358 1.00 0.00 O ATOM 0 H GLU A 49 1.646 -6.770 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 49 4.308 -6.574 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.639 -5.301 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.108 -4.783 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.028 -7.611 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.813 -6.444 -8.082 1.00 0.00 H new ATOM 785 N THR A 50 4.824 -4.091 -4.934 1.00 0.00 N ATOM 786 CA THR A 50 5.311 -2.882 -4.357 1.00 0.00 C ATOM 787 C THR A 50 5.433 -1.813 -5.430 1.00 0.00 C ATOM 788 O THR A 50 5.888 -2.069 -6.537 1.00 0.00 O ATOM 789 CB THR A 50 6.666 -3.080 -3.670 1.00 0.00 C ATOM 790 OG1 THR A 50 6.655 -4.314 -2.931 1.00 0.00 O ATOM 791 CG2 THR A 50 6.930 -1.945 -2.691 1.00 0.00 C ATOM 0 H THR A 50 5.286 -4.372 -5.799 1.00 0.00 H new ATOM 0 HA THR A 50 4.596 -2.568 -3.597 1.00 0.00 H new ATOM 0 HB THR A 50 7.442 -3.098 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.522 -4.441 -2.493 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.896 -2.097 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.938 -0.996 -3.227 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.146 -1.928 -1.934 1.00 0.00 H new ATOM 799 N ALA A 51 5.013 -0.649 -5.087 1.00 0.00 N ATOM 800 CA ALA A 51 5.032 0.493 -5.973 1.00 0.00 C ATOM 801 C ALA A 51 5.699 1.654 -5.296 1.00 0.00 C ATOM 802 O ALA A 51 6.106 1.552 -4.140 1.00 0.00 O ATOM 803 CB ALA A 51 3.624 0.892 -6.335 1.00 0.00 C ATOM 0 H ALA A 51 4.634 -0.443 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 51 5.582 0.221 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.650 1.753 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.127 0.060 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.075 1.151 -5.430 1.00 0.00 H new ATOM 809 N PHE A 52 5.815 2.742 -6.014 1.00 0.00 N ATOM 810 CA PHE A 52 6.361 3.964 -5.498 1.00 0.00 C ATOM 811 C PHE A 52 5.468 5.101 -5.898 1.00 0.00 C ATOM 812 O PHE A 52 5.376 5.448 -7.078 1.00 0.00 O ATOM 813 CB PHE A 52 7.780 4.203 -6.007 1.00 0.00 C ATOM 814 CG PHE A 52 8.771 3.163 -5.543 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.305 3.227 -4.265 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.154 2.122 -6.371 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.201 2.273 -3.824 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.052 1.166 -5.936 1.00 0.00 C ATOM 819 CZ PHE A 52 10.574 1.241 -4.661 1.00 0.00 C ATOM 0 H PHE A 52 5.526 2.801 -6.991 1.00 0.00 H new ATOM 0 HA PHE A 52 6.413 3.893 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.768 4.221 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.115 5.186 -5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.017 4.033 -3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.746 2.056 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.609 2.334 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.345 0.361 -6.593 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.274 0.493 -4.318 1.00 0.00 H new ATOM 829 N LEU A 53 4.799 5.658 -4.943 1.00 0.00 N ATOM 830 CA LEU A 53 3.894 6.751 -5.188 1.00 0.00 C ATOM 831 C LEU A 53 4.281 7.912 -4.314 1.00 0.00 C ATOM 832 O LEU A 53 5.013 7.739 -3.328 1.00 0.00 O ATOM 833 CB LEU A 53 2.439 6.336 -4.914 1.00 0.00 C ATOM 834 CG LEU A 53 1.860 5.227 -5.809 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.504 4.815 -5.308 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.746 5.691 -7.260 1.00 0.00 C ATOM 0 H LEU A 53 4.859 5.373 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 53 3.962 7.041 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.367 6.009 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.808 7.219 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 53 2.540 4.376 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.103 4.030 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.591 4.442 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.166 5.674 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.334 4.886 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.089 6.559 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.734 5.960 -7.635 1.00 0.00 H new ATOM 848 N GLY A 54 3.837 9.086 -4.674 1.00 0.00 N ATOM 849 CA GLY A 54 4.137 10.233 -3.892 1.00 0.00 C ATOM 850 C GLY A 54 3.101 10.405 -2.817 1.00 0.00 C ATOM 851 O GLY A 54 2.042 9.787 -2.895 1.00 0.00 O ATOM 0 H GLY A 54 3.269 9.263 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.125 10.130 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.166 11.119 -4.526 1.00 0.00 H new ATOM 855 N PRO A 55 3.340 11.271 -1.828 1.00 0.00 N ATOM 856 CA PRO A 55 2.399 11.499 -0.704 1.00 0.00 C ATOM 857 C PRO A 55 1.091 12.150 -1.163 1.00 0.00 C ATOM 858 O PRO A 55 0.164 12.313 -0.402 1.00 0.00 O ATOM 859 CB PRO A 55 3.174 12.438 0.226 1.00 0.00 C ATOM 860 CG PRO A 55 4.173 13.109 -0.657 1.00 0.00 C ATOM 861 CD PRO A 55 4.553 12.093 -1.696 1.00 0.00 C ATOM 0 HA PRO A 55 2.097 10.566 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.511 13.164 0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.663 11.885 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.749 14.000 -1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.045 13.430 -0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.823 12.566 -2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.410 11.497 -1.381 1.00 0.00 H new ATOM 869 N LYS A 56 1.058 12.528 -2.410 1.00 0.00 N ATOM 870 CA LYS A 56 -0.113 13.127 -3.005 1.00 0.00 C ATOM 871 C LYS A 56 -0.936 12.101 -3.763 1.00 0.00 C ATOM 872 O LYS A 56 -1.973 12.416 -4.338 1.00 0.00 O ATOM 873 CB LYS A 56 0.284 14.224 -3.967 1.00 0.00 C ATOM 874 CG LYS A 56 1.336 13.798 -5.006 1.00 0.00 C ATOM 875 CD LYS A 56 1.399 14.760 -6.188 1.00 0.00 C ATOM 876 CE LYS A 56 0.185 14.596 -7.111 1.00 0.00 C ATOM 877 NZ LYS A 56 0.197 13.289 -7.831 1.00 0.00 N ATOM 0 H LYS A 56 1.846 12.430 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.711 13.538 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.606 14.574 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.672 15.069 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.315 13.746 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.103 12.796 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.443 15.786 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.314 14.584 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.730 14.677 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.170 15.409 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.402 13.449 -8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.929 12.674 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.732 12.831 -7.735 1.00 0.00 H new ATOM 891 N ASP A 57 -0.431 10.917 -3.829 1.00 0.00 N ATOM 892 CA ASP A 57 -1.079 9.860 -4.586 1.00 0.00 C ATOM 893 C ASP A 57 -1.542 8.750 -3.706 1.00 0.00 C ATOM 894 O ASP A 57 -2.041 7.713 -4.191 1.00 0.00 O ATOM 895 CB ASP A 57 -0.167 9.340 -5.692 1.00 0.00 C ATOM 896 CG ASP A 57 0.030 10.366 -6.771 1.00 0.00 C ATOM 897 OD1 ASP A 57 -0.886 10.532 -7.624 1.00 0.00 O ATOM 898 OD2 ASP A 57 1.064 11.068 -6.769 1.00 0.00 O ATOM 0 H ASP A 57 0.436 10.639 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.964 10.292 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.799 9.065 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.595 8.435 -6.123 1.00 0.00 H new ATOM 903 N ILE A 58 -1.396 8.967 -2.438 1.00 0.00 N ATOM 904 CA ILE A 58 -1.775 8.039 -1.425 1.00 0.00 C ATOM 905 C ILE A 58 -2.583 8.759 -0.379 1.00 0.00 C ATOM 906 O ILE A 58 -2.408 9.955 -0.168 1.00 0.00 O ATOM 907 CB ILE A 58 -0.539 7.413 -0.763 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.402 8.509 -0.274 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.161 6.472 -1.716 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.670 8.009 0.329 1.00 0.00 C ATOM 0 H ILE A 58 -0.994 9.828 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.363 7.244 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.859 6.827 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.645 9.162 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.121 9.118 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.034 6.040 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.523 5.675 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.478 7.021 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.279 8.855 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.441 7.380 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.219 7.426 -0.410 1.00 0.00 H new ATOM 922 N PHE A 59 -3.464 8.048 0.250 1.00 0.00 N ATOM 923 CA PHE A 59 -4.324 8.604 1.272 1.00 0.00 C ATOM 924 C PHE A 59 -4.472 7.566 2.361 1.00 0.00 C ATOM 925 O PHE A 59 -4.446 6.393 2.065 1.00 0.00 O ATOM 926 CB PHE A 59 -5.713 8.957 0.700 1.00 0.00 C ATOM 927 CG PHE A 59 -5.686 9.915 -0.467 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.586 11.282 -0.261 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.755 9.443 -1.766 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.553 12.156 -1.330 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.723 10.309 -2.837 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.622 11.668 -2.621 1.00 0.00 C ATOM 0 H PHE A 59 -3.616 7.055 0.074 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.884 9.522 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.207 8.037 0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.320 9.390 1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.533 11.668 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.835 8.381 -1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.473 13.219 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.777 9.924 -3.845 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.597 12.349 -3.459 1.00 0.00 H new ATOM 942 N PRO A 60 -4.611 7.969 3.625 1.00 0.00 N ATOM 943 CA PRO A 60 -4.707 7.034 4.761 1.00 0.00 C ATOM 944 C PRO A 60 -5.912 6.126 4.686 1.00 0.00 C ATOM 945 O PRO A 60 -7.042 6.574 4.448 1.00 0.00 O ATOM 946 CB PRO A 60 -4.778 7.947 5.978 1.00 0.00 C ATOM 947 CG PRO A 60 -5.275 9.228 5.436 1.00 0.00 C ATOM 948 CD PRO A 60 -4.690 9.361 4.068 1.00 0.00 C ATOM 0 HA PRO A 60 -3.861 6.347 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.450 7.548 6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.801 8.064 6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.364 9.236 5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.973 10.062 6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.321 9.961 3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.710 9.837 4.090 1.00 0.00 H new ATOM 956 N TYR A 61 -5.663 4.855 4.920 1.00 0.00 N ATOM 957 CA TYR A 61 -6.670 3.823 4.838 1.00 0.00 C ATOM 958 C TYR A 61 -7.734 4.030 5.891 1.00 0.00 C ATOM 959 O TYR A 61 -8.897 3.829 5.640 1.00 0.00 O ATOM 960 CB TYR A 61 -6.021 2.432 4.982 1.00 0.00 C ATOM 961 CG TYR A 61 -6.993 1.282 4.943 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.437 0.760 3.742 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.479 0.731 6.112 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.348 -0.271 3.706 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.372 -0.299 6.084 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.806 -0.799 4.881 1.00 0.00 C ATOM 967 OH TYR A 61 -9.750 -1.788 4.864 1.00 0.00 O ATOM 0 H TYR A 61 -4.740 4.506 5.177 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.148 3.882 3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.291 2.301 4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.473 2.396 5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.062 1.169 2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.147 1.122 7.063 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.697 -0.659 2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.738 -0.722 7.008 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.371 -2.608 5.244 1.00 0.00 H new ATOM 977 N SER A 62 -7.320 4.477 7.048 1.00 0.00 N ATOM 978 CA SER A 62 -8.221 4.686 8.160 1.00 0.00 C ATOM 979 C SER A 62 -9.256 5.779 7.841 1.00 0.00 C ATOM 980 O SER A 62 -10.432 5.628 8.145 1.00 0.00 O ATOM 981 CB SER A 62 -7.394 5.064 9.377 1.00 0.00 C ATOM 982 OG SER A 62 -6.313 4.147 9.528 1.00 0.00 O ATOM 0 H SER A 62 -6.347 4.708 7.250 1.00 0.00 H new ATOM 0 HA SER A 62 -8.777 3.770 8.357 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.010 6.078 9.267 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.019 5.055 10.270 1.00 0.00 H new ATOM 0 HG SER A 62 -5.781 4.395 10.313 1.00 0.00 H new ATOM 988 N GLU A 63 -8.816 6.837 7.171 1.00 0.00 N ATOM 989 CA GLU A 63 -9.701 7.952 6.865 1.00 0.00 C ATOM 990 C GLU A 63 -10.421 7.756 5.546 1.00 0.00 C ATOM 991 O GLU A 63 -11.236 8.582 5.176 1.00 0.00 O ATOM 992 CB GLU A 63 -8.944 9.272 6.792 1.00 0.00 C ATOM 993 CG GLU A 63 -8.211 9.683 8.049 1.00 0.00 C ATOM 994 CD GLU A 63 -7.596 11.051 7.885 1.00 0.00 C ATOM 995 OE1 GLU A 63 -8.293 12.070 8.084 1.00 0.00 O ATOM 996 OE2 GLU A 63 -6.422 11.157 7.456 1.00 0.00 O ATOM 0 H GLU A 63 -7.860 6.946 6.832 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.425 7.985 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.222 9.210 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.651 10.060 6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.901 9.688 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.433 8.954 8.277 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.056 6.723 4.797 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.678 6.458 3.513 1.00 0.00 C ATOM 1005 C ASN A 64 -11.274 5.052 3.426 1.00 0.00 C ATOM 1006 O ASN A 64 -11.657 4.608 2.340 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.677 6.674 2.372 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.251 8.119 2.186 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.849 8.859 1.427 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.226 8.534 2.888 1.00 0.00 N ATOM 0 H ASN A 64 -9.331 6.056 5.060 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.501 7.166 3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.792 6.067 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.119 6.314 1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.910 9.500 2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.744 7.891 3.516 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.404 4.370 4.562 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.959 3.006 4.591 1.00 0.00 C ATOM 1019 C LYS A 65 -13.426 3.044 4.207 1.00 0.00 C ATOM 1020 O LYS A 65 -13.937 2.159 3.534 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.767 2.349 5.982 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.532 1.032 6.185 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.446 0.528 7.631 1.00 0.00 C ATOM 1024 CE LYS A 65 -11.202 -0.303 7.929 1.00 0.00 C ATOM 1025 NZ LYS A 65 -11.177 -1.591 7.179 1.00 0.00 N ATOM 0 H LYS A 65 -11.135 4.733 5.476 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.419 2.395 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.704 2.163 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.081 3.057 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.578 1.176 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.130 0.273 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.467 1.385 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.330 -0.071 7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.314 0.277 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.155 -0.509 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.013 -2.375 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.088 -1.730 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.413 -1.568 6.474 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.076 4.093 4.591 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.434 4.289 4.275 1.00 0.00 C ATOM 1041 C GLU A 66 -15.630 4.790 2.854 1.00 0.00 C ATOM 1042 O GLU A 66 -16.707 4.634 2.263 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.104 5.165 5.303 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.231 6.193 5.985 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.599 7.185 5.056 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.530 6.884 4.516 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.150 8.270 4.838 1.00 0.00 O ATOM 0 H GLU A 66 -13.662 4.845 5.142 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.927 3.317 4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.931 5.686 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.536 4.522 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.831 6.732 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.444 5.676 6.535 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.582 5.351 2.287 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.630 5.858 0.942 1.00 0.00 C ATOM 1056 C LYS A 67 -14.293 4.799 -0.071 1.00 0.00 C ATOM 1057 O LYS A 67 -15.138 4.420 -0.899 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.701 7.044 0.773 1.00 0.00 C ATOM 1059 CG LYS A 67 -14.019 8.096 1.755 1.00 0.00 C ATOM 1060 CD LYS A 67 -13.383 9.405 1.454 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.517 9.758 2.598 1.00 0.00 C ATOM 1062 NZ LYS A 67 -13.261 9.804 3.886 1.00 0.00 N ATOM 0 H LYS A 67 -13.679 5.465 2.748 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.656 6.181 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.667 6.723 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.792 7.443 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.100 8.228 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.701 7.766 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.798 9.344 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.142 10.172 1.298 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.709 9.031 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.056 10.728 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.438 10.794 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.168 9.306 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.698 9.343 4.629 1.00 0.00 H new ATOM 1076 N TYR A 68 -13.115 4.252 0.047 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.595 3.346 -0.966 1.00 0.00 C ATOM 1078 C TYR A 68 -12.467 1.930 -0.457 1.00 0.00 C ATOM 1079 O TYR A 68 -12.051 1.040 -1.192 1.00 0.00 O ATOM 1080 CB TYR A 68 -11.251 3.850 -1.504 1.00 0.00 C ATOM 1081 CG TYR A 68 -11.315 5.257 -2.044 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.963 5.537 -3.236 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.750 6.310 -1.344 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -12.040 6.827 -3.717 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.824 7.600 -1.813 1.00 0.00 C ATOM 1086 CZ TYR A 68 -11.468 7.855 -3.001 1.00 0.00 C ATOM 1087 OH TYR A 68 -11.548 9.139 -3.467 1.00 0.00 O ATOM 0 H TYR A 68 -12.487 4.412 0.834 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.318 3.330 -1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.509 3.808 -0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.909 3.180 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.415 4.732 -3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.241 6.114 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.546 7.030 -4.649 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.379 8.408 -1.252 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.094 9.743 -2.842 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.857 1.712 0.784 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.814 0.379 1.365 1.00 0.00 C ATOM 1099 C GLY A 69 -13.988 -0.473 0.901 1.00 0.00 C ATOM 1100 O GLY A 69 -14.769 -0.963 1.705 1.00 0.00 O ATOM 0 H GLY A 69 -13.207 2.437 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.879 -0.108 1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.826 0.455 2.452 1.00 0.00 H new ATOM 1104 N LYS A 70 -14.126 -0.605 -0.395 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.185 -1.371 -1.005 1.00 0.00 C ATOM 1106 C LYS A 70 -14.557 -2.309 -2.003 1.00 0.00 C ATOM 1107 O LYS A 70 -13.830 -1.863 -2.888 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.185 -0.448 -1.715 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.872 0.544 -0.796 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.791 1.479 -1.563 1.00 0.00 C ATOM 1111 CE LYS A 70 -18.425 2.500 -0.634 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.397 3.277 0.089 1.00 0.00 N ATOM 0 H LYS A 70 -13.493 -0.175 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.729 -1.926 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.663 0.101 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.943 -1.059 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.448 0.005 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.121 1.128 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.227 1.992 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.570 0.902 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.057 3.176 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.071 1.992 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.850 4.063 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.910 2.660 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.706 3.656 -0.590 1.00 0.00 H new ATOM 1126 N PRO A 71 -14.796 -3.611 -1.871 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.169 -4.591 -2.726 1.00 0.00 C ATOM 1128 C PRO A 71 -14.536 -4.461 -4.190 1.00 0.00 C ATOM 1129 O PRO A 71 -15.703 -4.443 -4.569 1.00 0.00 O ATOM 1130 CB PRO A 71 -14.626 -5.939 -2.186 1.00 0.00 C ATOM 1131 CG PRO A 71 -15.788 -5.662 -1.295 1.00 0.00 C ATOM 1132 CD PRO A 71 -15.695 -4.221 -0.875 1.00 0.00 C ATOM 0 HA PRO A 71 -13.087 -4.457 -2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.910 -6.607 -2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.823 -6.430 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.726 -5.850 -1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.770 -6.318 -0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.674 -3.742 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.295 -4.125 0.134 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.515 -4.413 -5.002 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.672 -4.365 -6.456 1.00 0.00 C ATOM 1142 C ASN A 72 -13.612 -5.762 -6.946 1.00 0.00 C ATOM 1143 O ASN A 72 -13.607 -6.692 -6.153 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.525 -3.586 -7.155 1.00 0.00 C ATOM 1145 CG ASN A 72 -12.527 -2.087 -6.965 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -12.098 -1.355 -7.848 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.965 -1.639 -5.843 1.00 0.00 N ATOM 0 H ASN A 72 -12.545 -4.405 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.612 -3.862 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.574 -3.976 -6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.569 -3.796 -8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.964 -0.636 -5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.313 -2.287 -5.136 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.568 -5.946 -8.221 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.316 -7.257 -8.732 1.00 0.00 C ATOM 1156 C LYS A 73 -11.949 -7.324 -9.346 1.00 0.00 C ATOM 1157 O LYS A 73 -11.657 -8.129 -10.207 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.469 -7.826 -9.575 1.00 0.00 C ATOM 1159 CG LYS A 73 -15.739 -8.078 -8.729 1.00 0.00 C ATOM 1160 CD LYS A 73 -15.408 -8.937 -7.490 1.00 0.00 C ATOM 1161 CE LYS A 73 -16.583 -9.116 -6.549 1.00 0.00 C ATOM 1162 NZ LYS A 73 -16.160 -9.826 -5.299 1.00 0.00 N ATOM 0 H LYS A 73 -13.701 -5.219 -8.924 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.295 -7.957 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.704 -7.133 -10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.152 -8.760 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.167 -7.126 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.492 -8.581 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.063 -9.917 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.584 -8.475 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.003 -8.143 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.370 -9.683 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.895 -9.717 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.023 -10.836 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.268 -9.418 -4.953 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.090 -6.462 -8.817 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.681 -6.519 -9.106 1.00 0.00 C ATOM 1178 C ARG A 74 -9.135 -7.619 -8.209 1.00 0.00 C ATOM 1179 O ARG A 74 -9.416 -7.603 -6.991 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.007 -5.193 -8.716 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.458 -3.957 -9.486 1.00 0.00 C ATOM 1182 CD ARG A 74 -8.932 -3.936 -10.919 1.00 0.00 C ATOM 1183 NE ARG A 74 -9.362 -2.705 -11.629 1.00 0.00 N ATOM 1184 CZ ARG A 74 -8.548 -1.839 -12.298 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -7.241 -2.083 -12.423 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -9.053 -0.734 -12.846 1.00 0.00 N ATOM 0 H ARG A 74 -11.358 -5.711 -8.180 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.497 -6.700 -10.165 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.183 -5.018 -7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.931 -5.304 -8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.547 -3.920 -9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.116 -3.063 -8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.844 -3.993 -10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.293 -4.814 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.358 -2.487 -11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.838 -2.927 -12.015 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.645 -1.426 -12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.050 -0.535 -12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.442 -0.088 -13.346 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.420 -8.582 -8.760 1.00 0.00 N ATOM 1201 CA LYS A 75 -7.882 -9.631 -7.921 1.00 0.00 C ATOM 1202 C LYS A 75 -6.818 -9.034 -7.016 1.00 0.00 C ATOM 1203 O LYS A 75 -6.069 -8.161 -7.438 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.276 -10.788 -8.714 1.00 0.00 C ATOM 1205 CG LYS A 75 -6.961 -11.949 -7.790 1.00 0.00 C ATOM 1206 CD LYS A 75 -6.056 -12.983 -8.386 1.00 0.00 C ATOM 1207 CE LYS A 75 -5.777 -14.078 -7.350 1.00 0.00 C ATOM 1208 NZ LYS A 75 -5.243 -13.519 -6.070 1.00 0.00 N ATOM 0 H LYS A 75 -8.204 -8.659 -9.754 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.711 -10.043 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.971 -11.110 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.367 -10.457 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.501 -11.561 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.895 -12.427 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.517 -13.416 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.121 -12.523 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.696 -14.629 -7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.061 -14.791 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.445 -14.179 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.215 -13.385 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.697 -12.604 -5.875 1.00 0.00 H new ATOM 1222 N GLY A 76 -6.764 -9.487 -5.790 1.00 0.00 N ATOM 1223 CA GLY A 76 -5.840 -8.944 -4.849 1.00 0.00 C ATOM 1224 C GLY A 76 -6.461 -7.855 -4.020 1.00 0.00 C ATOM 1225 O GLY A 76 -6.061 -7.625 -2.909 1.00 0.00 O ATOM 0 H GLY A 76 -7.355 -10.234 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.479 -9.738 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.973 -8.548 -5.378 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.478 -7.211 -4.551 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.114 -6.113 -3.859 1.00 0.00 C ATOM 1231 C PHE A 77 -8.942 -6.654 -2.689 1.00 0.00 C ATOM 1232 O PHE A 77 -8.878 -6.149 -1.578 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.998 -5.331 -4.840 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.450 -3.986 -4.350 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.481 -3.861 -3.440 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.827 -2.842 -4.807 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.882 -2.621 -2.997 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.226 -1.600 -4.369 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.255 -1.488 -3.462 1.00 0.00 C ATOM 0 H PHE A 77 -7.882 -7.430 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.356 -5.437 -3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.450 -5.196 -5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.878 -5.932 -5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.978 -4.746 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.017 -2.923 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.689 -2.537 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.732 -0.713 -4.737 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.569 -0.514 -3.116 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.692 -7.720 -2.951 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.567 -8.342 -1.919 1.00 0.00 C ATOM 1251 C ASN A 78 -9.702 -9.024 -0.882 1.00 0.00 C ATOM 1252 O ASN A 78 -9.920 -8.897 0.317 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.562 -9.377 -2.541 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.589 -8.781 -3.523 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -13.709 -9.304 -3.703 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.240 -7.699 -4.150 1.00 0.00 N ATOM 0 H ASN A 78 -9.723 -8.182 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.162 -7.553 -1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.988 -10.144 -3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.099 -9.873 -1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.886 -7.258 -4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.320 -7.289 -3.987 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.689 -9.694 -1.376 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.726 -10.418 -0.569 1.00 0.00 C ATOM 1265 C GLU A 79 -6.920 -9.426 0.276 1.00 0.00 C ATOM 1266 O GLU A 79 -6.647 -9.660 1.452 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.824 -11.196 -1.526 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.612 -12.161 -2.410 1.00 0.00 C ATOM 1269 CD GLU A 79 -6.853 -12.623 -3.630 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -6.127 -13.619 -3.575 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -6.986 -11.979 -4.702 1.00 0.00 O ATOM 0 H GLU A 79 -8.503 -9.755 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.217 -11.110 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.276 -10.495 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.085 -11.754 -0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.897 -13.031 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.535 -11.677 -2.729 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.606 -8.292 -0.328 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.860 -7.258 0.327 1.00 0.00 C ATOM 1280 C GLY A 80 -6.622 -6.594 1.427 1.00 0.00 C ATOM 1281 O GLY A 80 -6.036 -6.214 2.424 1.00 0.00 O ATOM 0 H GLY A 80 -6.867 -8.073 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.942 -7.682 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.567 -6.508 -0.408 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.935 -6.451 1.251 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.787 -5.899 2.305 1.00 0.00 C ATOM 1287 C LEU A 81 -8.711 -6.778 3.540 1.00 0.00 C ATOM 1288 O LEU A 81 -8.716 -6.299 4.658 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.241 -5.755 1.839 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.506 -4.715 0.745 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -11.956 -4.771 0.315 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.165 -3.312 1.239 1.00 0.00 C ATOM 0 H LEU A 81 -8.429 -6.707 0.396 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.422 -4.901 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.582 -6.725 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.854 -5.504 2.705 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.869 -4.946 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.134 -4.028 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.182 -5.764 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.598 -4.561 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.361 -2.590 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.779 -3.073 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.112 -3.270 1.516 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.596 -8.070 3.318 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.441 -8.996 4.401 1.00 0.00 C ATOM 1306 C TRP A 82 -7.053 -8.837 5.021 1.00 0.00 C ATOM 1307 O TRP A 82 -6.929 -8.710 6.234 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.683 -10.434 3.922 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.428 -11.465 4.972 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.276 -11.856 5.949 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.234 -12.228 5.142 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.678 -12.813 6.739 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.422 -13.059 6.255 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.025 -12.278 4.456 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.440 -13.937 6.703 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.047 -13.147 4.895 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.260 -13.967 6.009 1.00 0.00 C ATOM 0 H TRP A 82 -8.608 -8.496 2.391 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.185 -8.780 5.168 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.713 -10.525 3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.042 -10.635 3.064 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.276 -11.474 6.090 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.101 -13.264 7.550 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.855 -11.648 3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.602 -14.569 7.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.104 -13.195 4.371 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.476 -14.638 6.328 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.024 -8.822 4.185 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.654 -8.674 4.670 1.00 0.00 C ATOM 1330 C GLU A 83 -4.440 -7.400 5.465 1.00 0.00 C ATOM 1331 O GLU A 83 -3.895 -7.450 6.538 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.596 -8.773 3.563 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.384 -10.163 3.006 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.114 -10.268 2.163 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -1.975 -9.536 1.162 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.231 -11.095 2.488 1.00 0.00 O ATOM 0 H GLU A 83 -6.108 -8.910 3.172 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.519 -9.525 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.883 -8.110 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.647 -8.406 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.330 -10.876 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.244 -10.442 2.398 1.00 0.00 H new ATOM 1343 N ILE A 84 -4.935 -6.290 4.976 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.665 -5.004 5.608 1.00 0.00 C ATOM 1345 C ILE A 84 -5.353 -4.870 6.982 1.00 0.00 C ATOM 1346 O ILE A 84 -4.816 -4.245 7.898 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.016 -3.811 4.658 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.522 -2.493 5.242 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.515 -3.738 4.382 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.587 -1.331 4.279 1.00 0.00 C ATOM 0 H ILE A 84 -5.526 -6.241 4.146 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.592 -4.963 5.796 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.508 -3.987 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.115 -2.254 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.492 -2.618 5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.722 -2.898 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.843 -4.663 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.052 -3.600 5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.218 -0.430 4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.971 -1.547 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.619 -1.176 3.965 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.496 -5.510 7.125 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.265 -5.453 8.366 1.00 0.00 C ATOM 1364 C ASP A 85 -6.889 -6.570 9.339 1.00 0.00 C ATOM 1365 O ASP A 85 -7.294 -6.556 10.494 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.775 -5.483 8.071 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.349 -4.133 7.645 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.389 -3.827 6.438 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -9.812 -3.352 8.516 1.00 0.00 O ATOM 0 H ASP A 85 -6.921 -6.082 6.395 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.015 -4.509 8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.967 -6.213 7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.302 -5.827 8.961 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.110 -7.535 8.877 1.00 0.00 N ATOM 1375 CA ASN A 86 -5.724 -8.674 9.734 1.00 0.00 C ATOM 1376 C ASN A 86 -4.236 -8.743 9.953 1.00 0.00 C ATOM 1377 O ASN A 86 -3.759 -8.778 11.087 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.224 -10.008 9.163 1.00 0.00 C ATOM 1379 CG ASN A 86 -7.719 -10.164 9.271 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.235 -10.728 10.228 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.422 -9.659 8.308 1.00 0.00 N ATOM 0 H ASN A 86 -5.731 -7.565 7.930 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.203 -8.502 10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.930 -10.083 8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.738 -10.829 9.690 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.440 -9.724 8.331 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.958 -9.196 7.526 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.491 -8.757 8.883 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.041 -8.840 8.984 1.00 0.00 C ATOM 1390 C ASN A 87 -1.390 -7.712 8.165 1.00 0.00 C ATOM 1391 O ASN A 87 -0.892 -7.938 7.079 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.542 -10.232 8.519 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.051 -10.472 8.746 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.556 -9.922 9.665 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.539 -11.326 7.944 1.00 0.00 N ATOM 0 H ASN A 87 -3.852 -8.713 7.930 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.751 -8.715 10.027 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.106 -11.002 9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.759 -10.347 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.526 -11.549 8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.011 -11.767 7.191 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.413 -6.455 8.681 1.00 0.00 N ATOM 1403 CA PRO A 88 -0.883 -5.272 7.950 1.00 0.00 C ATOM 1404 C PRO A 88 0.648 -5.277 7.847 1.00 0.00 C ATOM 1405 O PRO A 88 1.244 -4.473 7.148 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.343 -4.095 8.816 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.511 -4.660 10.182 1.00 0.00 C ATOM 1408 CD PRO A 88 -1.985 -6.069 9.992 1.00 0.00 C ATOM 0 HA PRO A 88 -1.238 -5.241 6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.608 -3.290 8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.278 -3.675 8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.570 -4.636 10.732 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.232 -4.080 10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.633 -6.722 10.791 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.073 -6.129 9.988 1.00 0.00 H new ATOM 1416 N LYS A 89 1.249 -6.206 8.534 1.00 0.00 N ATOM 1417 CA LYS A 89 2.691 -6.362 8.600 1.00 0.00 C ATOM 1418 C LYS A 89 3.119 -7.556 7.754 1.00 0.00 C ATOM 1419 O LYS A 89 4.192 -8.131 7.967 1.00 0.00 O ATOM 1420 CB LYS A 89 3.117 -6.576 10.065 1.00 0.00 C ATOM 1421 CG LYS A 89 2.348 -7.694 10.752 1.00 0.00 C ATOM 1422 CD LYS A 89 2.897 -8.033 12.126 1.00 0.00 C ATOM 1423 CE LYS A 89 2.020 -9.077 12.816 1.00 0.00 C ATOM 1424 NZ LYS A 89 1.858 -10.317 12.004 1.00 0.00 N ATOM 0 H LYS A 89 0.743 -6.901 9.083 1.00 0.00 H new ATOM 0 HA LYS A 89 3.172 -5.463 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.183 -6.802 10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.971 -5.649 10.619 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.302 -7.403 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.376 -8.585 10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.915 -8.410 12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.946 -7.131 12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.458 -9.334 13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.038 -8.647 13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.627 -11.114 12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.090 -10.183 11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.744 -10.519 11.499 1.00 0.00 H new ATOM 1438 N VAL A 90 2.269 -7.939 6.820 1.00 0.00 N ATOM 1439 CA VAL A 90 2.497 -9.108 6.001 1.00 0.00 C ATOM 1440 C VAL A 90 3.706 -9.020 5.022 1.00 0.00 C ATOM 1441 O VAL A 90 3.579 -8.725 3.838 1.00 0.00 O ATOM 1442 CB VAL A 90 1.201 -9.620 5.286 1.00 0.00 C ATOM 1443 CG1 VAL A 90 0.616 -8.596 4.332 1.00 0.00 C ATOM 1444 CG2 VAL A 90 1.447 -10.936 4.589 1.00 0.00 C ATOM 0 H VAL A 90 1.401 -7.446 6.610 1.00 0.00 H new ATOM 0 HA VAL A 90 2.791 -9.864 6.729 1.00 0.00 H new ATOM 0 HB VAL A 90 0.457 -9.780 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.280 -9.004 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.358 -7.691 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.349 -8.356 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.530 -11.267 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.230 -10.811 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.759 -11.682 5.320 1.00 0.00 H new ATOM 1454 N LYS A 91 4.882 -9.206 5.562 1.00 0.00 N ATOM 1455 CA LYS A 91 6.055 -9.444 4.740 1.00 0.00 C ATOM 1456 C LYS A 91 5.882 -10.880 4.288 1.00 0.00 C ATOM 1457 O LYS A 91 5.961 -11.222 3.113 1.00 0.00 O ATOM 1458 CB LYS A 91 7.344 -9.314 5.577 1.00 0.00 C ATOM 1459 CG LYS A 91 7.590 -7.955 6.270 1.00 0.00 C ATOM 1460 CD LYS A 91 8.225 -6.867 5.370 1.00 0.00 C ATOM 1461 CE LYS A 91 7.304 -6.310 4.285 1.00 0.00 C ATOM 1462 NZ LYS A 91 7.947 -5.177 3.575 1.00 0.00 N ATOM 0 H LYS A 91 5.060 -9.199 6.566 1.00 0.00 H new ATOM 0 HA LYS A 91 6.143 -8.734 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.331 -10.089 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.194 -9.523 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.640 -7.581 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.238 -8.116 7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.558 -6.043 6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.113 -7.283 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.057 -7.097 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.367 -5.979 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.284 -4.783 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.207 -4.440 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.802 -5.513 3.088 1.00 0.00 H new ATOM 1476 N PHE A 92 5.554 -11.670 5.276 1.00 0.00 N ATOM 1477 CA PHE A 92 5.187 -13.041 5.168 1.00 0.00 C ATOM 1478 C PHE A 92 3.930 -13.157 6.005 1.00 0.00 C ATOM 1479 O PHE A 92 3.760 -12.384 6.970 1.00 0.00 O ATOM 1480 CB PHE A 92 6.278 -13.961 5.744 1.00 0.00 C ATOM 1481 CG PHE A 92 7.613 -13.869 5.052 1.00 0.00 C ATOM 1482 CD1 PHE A 92 7.827 -14.508 3.840 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.656 -13.151 5.617 1.00 0.00 C ATOM 1484 CE1 PHE A 92 9.052 -14.431 3.207 1.00 0.00 C ATOM 1485 CE2 PHE A 92 9.882 -13.070 4.988 1.00 0.00 C ATOM 1486 CZ PHE A 92 10.081 -13.711 3.781 1.00 0.00 C ATOM 0 H PHE A 92 5.538 -11.341 6.241 1.00 0.00 H new ATOM 0 HA PHE A 92 5.045 -13.340 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.414 -13.723 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.928 -14.992 5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.026 -15.073 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.507 -12.649 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.205 -14.934 2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.685 -12.506 5.439 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.039 -13.649 3.287 1.00 0.00 H new ATOM 1496 N SER A 93 3.043 -14.037 5.667 1.00 0.00 N ATOM 1497 CA SER A 93 1.826 -14.124 6.413 1.00 0.00 C ATOM 1498 C SER A 93 1.960 -15.199 7.472 1.00 0.00 C ATOM 1499 O SER A 93 1.787 -16.380 7.194 1.00 0.00 O ATOM 1500 CB SER A 93 0.618 -14.368 5.492 1.00 0.00 C ATOM 1501 OG SER A 93 -0.603 -14.115 6.171 1.00 0.00 O ATOM 0 H SER A 93 3.133 -14.696 4.893 1.00 0.00 H new ATOM 0 HA SER A 93 1.644 -13.171 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.690 -13.725 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.632 -15.397 5.134 1.00 0.00 H new ATOM 0 HG SER A 93 -1.355 -14.276 5.563 1.00 0.00 H new TER 1507 SER A 93