USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 665 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 21 THR OG1 : rot -69:sc= 1.18 USER MOD Set 1.2: A 70 THR OG1 : rot -7:sc= 0.723 USER MOD Set 2.1: A 59 SER OG : rot -80:sc= -0.201 USER MOD Set 2.2: A 66 SER OG : rot -135:sc= -0.287 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.919 USER MOD Single : A 8 GLN : amide:sc= 1.19 K(o=1.2,f=-0.03) USER MOD Single : A 13 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.23) USER MOD Single : A 18 THR OG1 : rot -22:sc= 0.16 USER MOD Single : A 19 SER OG : rot -58:sc= 1.17 USER MOD Single : A 20 MET CE :methyl 170:sc=-0.00338 (180deg=-0.19) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -109:sc= -1.05 (180deg=-3.42!) USER MOD Single : A 41 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.23) USER MOD Single : A 43 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.53) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0353) USER MOD Single : A 46 GLN : amide:sc= -0.0297 K(o=-0.03,f=-2.5!) USER MOD Single : A 47 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.27) USER MOD Single : A 49 SER OG : rot -80:sc= 1.2 USER MOD Single : A 51 CYS SG : rot 7:sc= -2.05! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.68) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 11:sc= 1.21 USER MOD Single : A 75 SER OG : rot 158:sc= 0.669 USER MOD Single : A 77 GLN : amide:sc= -0.895 K(o=-0.9,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -133:sc= 0.0384 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -170:sc= -0.0111 (180deg=-0.191) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 12.362 10.169 -3.085 1.00 0.00 N ATOM 2 CA ILE A 5 11.166 9.520 -3.604 1.00 0.00 C ATOM 3 C ILE A 5 10.881 8.226 -2.845 1.00 0.00 C ATOM 4 O ILE A 5 9.903 8.131 -2.104 1.00 0.00 O ATOM 5 CB ILE A 5 11.290 9.218 -5.116 1.00 0.00 C ATOM 6 CG1 ILE A 5 11.602 10.503 -5.897 1.00 0.00 C ATOM 7 CG2 ILE A 5 10.014 8.570 -5.645 1.00 0.00 C ATOM 8 CD1 ILE A 5 10.557 11.588 -5.740 1.00 0.00 C ATOM 0 HA ILE A 5 10.337 10.213 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 5 12.113 8.517 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.566 10.891 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.701 10.258 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.124 8.367 -6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.833 7.636 -5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.172 9.244 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.850 12.462 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.595 11.221 -6.097 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.473 11.863 -4.689 1.00 0.00 H new ATOM 20 N SER A 6 11.744 7.236 -3.011 1.00 0.00 N ATOM 21 CA SER A 6 11.527 5.948 -2.375 1.00 0.00 C ATOM 22 C SER A 6 12.836 5.308 -1.925 1.00 0.00 C ATOM 23 O SER A 6 13.829 5.304 -2.653 1.00 0.00 O ATOM 24 CB SER A 6 10.777 5.010 -3.328 1.00 0.00 C ATOM 25 OG SER A 6 11.410 4.947 -4.596 1.00 0.00 O ATOM 0 H SER A 6 12.592 7.299 -3.574 1.00 0.00 H new ATOM 0 HA SER A 6 10.922 6.117 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.728 4.011 -2.894 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.750 5.356 -3.449 1.00 0.00 H new ATOM 0 HG SER A 6 10.910 4.340 -5.181 1.00 0.00 H new ATOM 31 N SER A 7 12.825 4.800 -0.705 1.00 0.00 N ATOM 32 CA SER A 7 13.906 3.982 -0.196 1.00 0.00 C ATOM 33 C SER A 7 13.573 2.520 -0.466 1.00 0.00 C ATOM 34 O SER A 7 12.422 2.188 -0.727 1.00 0.00 O ATOM 35 CB SER A 7 14.083 4.209 1.307 1.00 0.00 C ATOM 36 OG SER A 7 14.302 5.579 1.607 1.00 0.00 O ATOM 0 H SER A 7 12.065 4.945 -0.041 1.00 0.00 H new ATOM 0 HA SER A 7 14.838 4.252 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.197 3.858 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.925 3.618 1.668 1.00 0.00 H new ATOM 0 HG SER A 7 14.409 5.689 2.575 1.00 0.00 H new ATOM 42 N GLN A 8 14.557 1.648 -0.387 1.00 0.00 N ATOM 43 CA GLN A 8 14.335 0.236 -0.654 1.00 0.00 C ATOM 44 C GLN A 8 15.419 -0.601 -0.001 1.00 0.00 C ATOM 45 O GLN A 8 16.608 -0.416 -0.263 1.00 0.00 O ATOM 46 CB GLN A 8 14.307 -0.043 -2.158 1.00 0.00 C ATOM 47 CG GLN A 8 13.669 -1.375 -2.520 1.00 0.00 C ATOM 48 CD GLN A 8 13.725 -1.668 -4.008 1.00 0.00 C ATOM 49 OE1 GLN A 8 14.672 -2.288 -4.491 1.00 0.00 O ATOM 50 NE2 GLN A 8 12.717 -1.224 -4.745 1.00 0.00 N ATOM 0 H GLN A 8 15.517 1.888 -0.141 1.00 0.00 H new ATOM 0 HA GLN A 8 13.367 -0.034 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.762 0.758 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.327 -0.022 -2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.174 -2.174 -1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.629 -1.376 -2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.950 -0.714 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.708 -1.392 -5.751 1.00 0.00 H new ATOM 59 N LEU A 9 15.004 -1.500 0.863 1.00 0.00 N ATOM 60 CA LEU A 9 15.916 -2.401 1.527 1.00 0.00 C ATOM 61 C LEU A 9 15.874 -3.767 0.865 1.00 0.00 C ATOM 62 O LEU A 9 14.907 -4.513 1.024 1.00 0.00 O ATOM 63 CB LEU A 9 15.577 -2.534 3.017 1.00 0.00 C ATOM 64 CG LEU A 9 16.020 -1.373 3.919 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.510 -1.109 3.760 1.00 0.00 C ATOM 66 CD2 LEU A 9 15.217 -0.111 3.635 1.00 0.00 C ATOM 0 H LEU A 9 14.026 -1.626 1.124 1.00 0.00 H new ATOM 0 HA LEU A 9 16.921 -1.988 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.498 -2.650 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.031 -3.451 3.391 1.00 0.00 H new ATOM 0 HG LEU A 9 15.828 -1.663 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.804 -0.283 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.069 -2.003 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.725 -0.852 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.556 0.691 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.360 0.185 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.160 -0.304 3.815 1.00 0.00 H new ATOM 78 N GLY A 10 16.896 -4.063 0.082 1.00 0.00 N ATOM 79 CA GLY A 10 17.059 -5.400 -0.456 1.00 0.00 C ATOM 80 C GLY A 10 18.395 -6.006 -0.070 1.00 0.00 C ATOM 81 O GLY A 10 19.265 -6.171 -0.923 1.00 0.00 O ATOM 0 H GLY A 10 17.621 -3.400 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.253 -6.038 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.976 -5.367 -1.542 1.00 0.00 H new ATOM 85 N PRO A 11 18.597 -6.338 1.218 1.00 0.00 N ATOM 86 CA PRO A 11 19.872 -6.854 1.708 1.00 0.00 C ATOM 87 C PRO A 11 20.015 -8.363 1.524 1.00 0.00 C ATOM 88 O PRO A 11 21.126 -8.880 1.406 1.00 0.00 O ATOM 89 CB PRO A 11 19.830 -6.497 3.192 1.00 0.00 C ATOM 90 CG PRO A 11 18.382 -6.528 3.557 1.00 0.00 C ATOM 91 CD PRO A 11 17.601 -6.232 2.300 1.00 0.00 C ATOM 0 HA PRO A 11 20.719 -6.433 1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.402 -7.210 3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.262 -5.513 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.107 -7.503 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.163 -5.790 4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.786 -6.943 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.155 -5.238 2.334 1.00 0.00 H new ATOM 99 N ILE A 12 18.890 -9.064 1.505 1.00 0.00 N ATOM 100 CA ILE A 12 18.891 -10.514 1.369 1.00 0.00 C ATOM 101 C ILE A 12 18.106 -10.893 0.112 1.00 0.00 C ATOM 102 O ILE A 12 17.155 -10.206 -0.249 1.00 0.00 O ATOM 103 CB ILE A 12 18.274 -11.203 2.615 1.00 0.00 C ATOM 104 CG1 ILE A 12 18.673 -10.474 3.904 1.00 0.00 C ATOM 105 CG2 ILE A 12 18.719 -12.657 2.699 1.00 0.00 C ATOM 106 CD1 ILE A 12 20.151 -10.560 4.232 1.00 0.00 C ATOM 0 H ILE A 12 17.961 -8.650 1.582 1.00 0.00 H new ATOM 0 HA ILE A 12 19.922 -10.858 1.285 1.00 0.00 H new ATOM 0 HB ILE A 12 17.190 -11.163 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 12 18.392 -9.425 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 12 18.103 -10.889 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.276 -13.123 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.395 -13.189 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 12 19.806 -12.701 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.350 -10.019 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.437 -11.605 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.730 -10.117 3.421 1.00 0.00 H new ATOM 118 N HIS A 13 18.505 -11.976 -0.554 1.00 0.00 N ATOM 119 CA HIS A 13 17.965 -12.319 -1.878 1.00 0.00 C ATOM 120 C HIS A 13 16.741 -13.301 -1.915 1.00 0.00 C ATOM 121 O HIS A 13 16.442 -13.821 -2.991 1.00 0.00 O ATOM 122 CB HIS A 13 19.107 -12.888 -2.721 1.00 0.00 C ATOM 123 CG HIS A 13 18.893 -12.786 -4.200 1.00 0.00 C ATOM 124 ND1 HIS A 13 18.923 -11.591 -4.878 1.00 0.00 N ATOM 125 CD2 HIS A 13 18.652 -13.736 -5.129 1.00 0.00 C ATOM 126 CE1 HIS A 13 18.710 -11.809 -6.160 1.00 0.00 C ATOM 127 NE2 HIS A 13 18.543 -13.104 -6.340 1.00 0.00 N ATOM 0 H HIS A 13 19.200 -12.634 -0.202 1.00 0.00 H new ATOM 0 HA HIS A 13 17.558 -11.389 -2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 13 20.028 -12.366 -2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 13 19.250 -13.936 -2.458 1.00 0.00 H new ATOM 0 HD2 HIS A 13 18.562 -14.797 -4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.678 -11.055 -6.932 1.00 0.00 H new ATOM 0 HE2 HIS A 13 18.362 -13.561 -7.234 1.00 0.00 H new ATOM 136 N PRO A 14 16.038 -13.636 -0.798 1.00 0.00 N ATOM 137 CA PRO A 14 14.779 -14.415 -0.858 1.00 0.00 C ATOM 138 C PRO A 14 13.650 -13.723 -1.656 1.00 0.00 C ATOM 139 O PRO A 14 13.899 -12.791 -2.419 1.00 0.00 O ATOM 140 CB PRO A 14 14.383 -14.531 0.624 1.00 0.00 C ATOM 141 CG PRO A 14 15.102 -13.426 1.281 1.00 0.00 C ATOM 142 CD PRO A 14 16.413 -13.416 0.596 1.00 0.00 C ATOM 0 HA PRO A 14 14.925 -15.364 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.305 -14.438 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.673 -15.496 1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.578 -12.478 1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.209 -13.597 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.935 -12.469 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.072 -14.200 0.968 1.00 0.00 H new ATOM 150 N PRO A 15 12.390 -14.211 -1.549 1.00 0.00 N ATOM 151 CA PRO A 15 11.214 -13.480 -2.059 1.00 0.00 C ATOM 152 C PRO A 15 11.090 -12.068 -1.456 1.00 0.00 C ATOM 153 O PRO A 15 11.760 -11.741 -0.472 1.00 0.00 O ATOM 154 CB PRO A 15 10.040 -14.361 -1.618 1.00 0.00 C ATOM 155 CG PRO A 15 10.613 -15.727 -1.507 1.00 0.00 C ATOM 156 CD PRO A 15 12.013 -15.535 -1.004 1.00 0.00 C ATOM 0 HA PRO A 15 11.266 -13.319 -3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.629 -14.026 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.228 -14.330 -2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.031 -16.342 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.609 -16.234 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.055 -15.549 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.680 -16.321 -1.359 1.00 0.00 H new ATOM 164 N PRO A 16 10.216 -11.218 -2.044 1.00 0.00 N ATOM 165 CA PRO A 16 10.056 -9.794 -1.665 1.00 0.00 C ATOM 166 C PRO A 16 9.474 -9.565 -0.266 1.00 0.00 C ATOM 167 O PRO A 16 8.760 -8.586 -0.036 1.00 0.00 O ATOM 168 CB PRO A 16 9.085 -9.257 -2.720 1.00 0.00 C ATOM 169 CG PRO A 16 8.337 -10.449 -3.184 1.00 0.00 C ATOM 170 CD PRO A 16 9.324 -11.575 -3.158 1.00 0.00 C ATOM 0 HA PRO A 16 11.027 -9.300 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.415 -8.509 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.618 -8.779 -3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.487 -10.657 -2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.941 -10.297 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.835 -12.535 -2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.868 -11.655 -4.099 1.00 0.00 H new ATOM 178 N ARG A 17 9.796 -10.446 0.665 1.00 0.00 N ATOM 179 CA ARG A 17 9.368 -10.290 2.046 1.00 0.00 C ATOM 180 C ARG A 17 10.480 -9.648 2.864 1.00 0.00 C ATOM 181 O ARG A 17 10.439 -9.634 4.094 1.00 0.00 O ATOM 182 CB ARG A 17 8.959 -11.639 2.639 1.00 0.00 C ATOM 183 CG ARG A 17 10.041 -12.704 2.548 1.00 0.00 C ATOM 184 CD ARG A 17 9.494 -14.087 2.859 1.00 0.00 C ATOM 185 NE ARG A 17 8.521 -14.526 1.858 1.00 0.00 N ATOM 186 CZ ARG A 17 8.444 -15.766 1.378 1.00 0.00 C ATOM 187 NH1 ARG A 17 9.268 -16.706 1.820 1.00 0.00 N ATOM 188 NH2 ARG A 17 7.536 -16.059 0.455 1.00 0.00 N ATOM 0 H ARG A 17 10.355 -11.281 0.489 1.00 0.00 H new ATOM 0 HA ARG A 17 8.496 -9.636 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.688 -11.498 3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.067 -11.996 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.473 -12.700 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.846 -12.466 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.316 -14.801 2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.025 -14.079 3.843 1.00 0.00 H new ATOM 0 HE ARG A 17 7.858 -13.837 1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.964 -16.481 2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.205 -17.654 1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.901 -15.336 0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.473 -17.007 0.084 1.00 0.00 H new ATOM 202 N THR A 18 11.470 -9.116 2.149 1.00 0.00 N ATOM 203 CA THR A 18 12.589 -8.405 2.756 1.00 0.00 C ATOM 204 C THR A 18 13.622 -8.034 1.691 1.00 0.00 C ATOM 205 O THR A 18 14.490 -7.196 1.916 1.00 0.00 O ATOM 206 CB THR A 18 13.266 -9.234 3.872 1.00 0.00 C ATOM 207 OG1 THR A 18 14.228 -8.434 4.571 1.00 0.00 O ATOM 208 CG2 THR A 18 13.942 -10.477 3.304 1.00 0.00 C ATOM 0 H THR A 18 11.517 -9.167 1.131 1.00 0.00 H new ATOM 0 HA THR A 18 12.188 -7.499 3.210 1.00 0.00 H new ATOM 0 HB THR A 18 12.490 -9.554 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.505 -7.685 4.003 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.409 -11.039 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.198 -11.102 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.703 -10.180 2.582 1.00 0.00 H new ATOM 216 N SER A 19 13.512 -8.660 0.521 1.00 0.00 N ATOM 217 CA SER A 19 14.429 -8.400 -0.581 1.00 0.00 C ATOM 218 C SER A 19 14.062 -7.127 -1.327 1.00 0.00 C ATOM 219 O SER A 19 14.787 -6.679 -2.220 1.00 0.00 O ATOM 220 CB SER A 19 14.419 -9.591 -1.527 1.00 0.00 C ATOM 221 OG SER A 19 14.633 -10.779 -0.795 1.00 0.00 O ATOM 0 H SER A 19 12.793 -9.353 0.314 1.00 0.00 H new ATOM 0 HA SER A 19 15.430 -8.258 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.466 -9.643 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.194 -9.474 -2.284 1.00 0.00 H new ATOM 0 HG SER A 19 15.483 -10.716 -0.311 1.00 0.00 H new ATOM 227 N MET A 20 12.935 -6.547 -0.964 1.00 0.00 N ATOM 228 CA MET A 20 12.520 -5.281 -1.529 1.00 0.00 C ATOM 229 C MET A 20 11.511 -4.605 -0.623 1.00 0.00 C ATOM 230 O MET A 20 10.389 -4.309 -1.028 1.00 0.00 O ATOM 231 CB MET A 20 11.946 -5.450 -2.941 1.00 0.00 C ATOM 232 CG MET A 20 10.802 -6.440 -3.036 1.00 0.00 C ATOM 233 SD MET A 20 9.930 -6.346 -4.613 1.00 0.00 S ATOM 234 CE MET A 20 11.232 -6.819 -5.748 1.00 0.00 C ATOM 0 H MET A 20 12.289 -6.935 -0.277 1.00 0.00 H new ATOM 0 HA MET A 20 13.404 -4.649 -1.608 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.602 -4.480 -3.299 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.745 -5.771 -3.609 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.188 -7.450 -2.899 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.098 -6.255 -2.225 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.809 -6.981 -6.740 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.978 -6.026 -5.797 1.00 0.00 H new ATOM 0 HE3 MET A 20 11.702 -7.738 -5.399 1.00 0.00 H new ATOM 244 N THR A 21 11.907 -4.361 0.614 1.00 0.00 N ATOM 245 CA THR A 21 11.076 -3.571 1.491 1.00 0.00 C ATOM 246 C THR A 21 11.269 -2.118 1.109 1.00 0.00 C ATOM 247 O THR A 21 12.329 -1.542 1.331 1.00 0.00 O ATOM 248 CB THR A 21 11.455 -3.783 2.974 1.00 0.00 C ATOM 249 OG1 THR A 21 11.140 -5.127 3.372 1.00 0.00 O ATOM 250 CG2 THR A 21 10.732 -2.786 3.878 1.00 0.00 C ATOM 0 H THR A 21 12.781 -4.692 1.023 1.00 0.00 H new ATOM 0 HA THR A 21 10.034 -3.873 1.381 1.00 0.00 H new ATOM 0 HB THR A 21 12.527 -3.616 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.167 -5.239 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.019 -2.960 4.915 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.006 -1.770 3.592 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.655 -2.915 3.773 1.00 0.00 H new ATOM 258 N GLU A 22 10.244 -1.526 0.546 1.00 0.00 N ATOM 259 CA GLU A 22 10.370 -0.197 0.001 1.00 0.00 C ATOM 260 C GLU A 22 9.835 0.812 0.990 1.00 0.00 C ATOM 261 O GLU A 22 8.672 0.746 1.382 1.00 0.00 O ATOM 262 CB GLU A 22 9.630 -0.107 -1.337 1.00 0.00 C ATOM 263 CG GLU A 22 9.904 1.172 -2.112 1.00 0.00 C ATOM 264 CD GLU A 22 9.734 0.987 -3.603 1.00 0.00 C ATOM 265 OE1 GLU A 22 10.357 0.057 -4.163 1.00 0.00 O ATOM 266 OE2 GLU A 22 8.992 1.771 -4.227 1.00 0.00 O ATOM 0 H GLU A 22 9.317 -1.941 0.453 1.00 0.00 H new ATOM 0 HA GLU A 22 11.422 0.025 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.911 -0.960 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.558 -0.186 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.230 1.955 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.919 1.510 -1.903 1.00 0.00 H new ATOM 273 N GLU A 23 10.695 1.716 1.419 1.00 0.00 N ATOM 274 CA GLU A 23 10.282 2.768 2.322 1.00 0.00 C ATOM 275 C GLU A 23 9.879 3.977 1.496 1.00 0.00 C ATOM 276 O GLU A 23 10.725 4.731 1.020 1.00 0.00 O ATOM 277 CB GLU A 23 11.427 3.121 3.271 1.00 0.00 C ATOM 278 CG GLU A 23 11.068 4.171 4.302 1.00 0.00 C ATOM 279 CD GLU A 23 10.285 3.605 5.471 1.00 0.00 C ATOM 280 OE1 GLU A 23 9.110 3.234 5.283 1.00 0.00 O ATOM 281 OE2 GLU A 23 10.845 3.536 6.589 1.00 0.00 O ATOM 0 H GLU A 23 11.680 1.742 1.157 1.00 0.00 H new ATOM 0 HA GLU A 23 9.435 2.438 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.751 2.217 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.275 3.476 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.981 4.636 4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.482 4.957 3.825 1.00 0.00 H new ATOM 288 N TYR A 24 8.588 4.180 1.339 1.00 0.00 N ATOM 289 CA TYR A 24 8.105 5.191 0.427 1.00 0.00 C ATOM 290 C TYR A 24 7.926 6.517 1.141 1.00 0.00 C ATOM 291 O TYR A 24 7.255 6.600 2.170 1.00 0.00 O ATOM 292 CB TYR A 24 6.796 4.753 -0.232 1.00 0.00 C ATOM 293 CG TYR A 24 6.832 4.892 -1.735 1.00 0.00 C ATOM 294 CD1 TYR A 24 7.262 6.070 -2.327 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.466 3.840 -2.561 1.00 0.00 C ATOM 296 CE1 TYR A 24 7.320 6.198 -3.699 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.527 3.959 -3.937 1.00 0.00 C ATOM 298 CZ TYR A 24 6.955 5.142 -4.499 1.00 0.00 C ATOM 299 OH TYR A 24 7.032 5.266 -5.868 1.00 0.00 O ATOM 0 H TYR A 24 7.859 3.661 1.829 1.00 0.00 H new ATOM 0 HA TYR A 24 8.851 5.322 -0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.591 3.715 0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.975 5.350 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.556 6.901 -1.703 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.128 2.913 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.651 7.125 -4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.241 3.130 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 24 6.739 4.431 -6.289 1.00 0.00 H new ATOM 309 N ARG A 25 8.546 7.545 0.589 1.00 0.00 N ATOM 310 CA ARG A 25 8.499 8.871 1.168 1.00 0.00 C ATOM 311 C ARG A 25 7.324 9.630 0.576 1.00 0.00 C ATOM 312 O ARG A 25 7.398 10.155 -0.534 1.00 0.00 O ATOM 313 CB ARG A 25 9.822 9.590 0.904 1.00 0.00 C ATOM 314 CG ARG A 25 11.023 8.682 1.133 1.00 0.00 C ATOM 315 CD ARG A 25 12.348 9.397 0.936 1.00 0.00 C ATOM 316 NE ARG A 25 13.465 8.451 0.943 1.00 0.00 N ATOM 317 CZ ARG A 25 14.748 8.791 0.814 1.00 0.00 C ATOM 318 NH1 ARG A 25 15.103 10.068 0.749 1.00 0.00 N ATOM 319 NH2 ARG A 25 15.677 7.846 0.774 1.00 0.00 N ATOM 0 H ARG A 25 9.093 7.482 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 25 8.360 8.810 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.836 9.957 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.897 10.461 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.980 8.279 2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.968 7.835 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.334 9.941 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.487 10.135 1.726 1.00 0.00 H new ATOM 0 HE ARG A 25 13.246 7.461 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.392 10.798 0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.087 10.320 0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.409 6.864 0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.660 8.101 0.675 1.00 0.00 H new ATOM 333 N VAL A 26 6.231 9.645 1.313 1.00 0.00 N ATOM 334 CA VAL A 26 4.980 10.182 0.822 1.00 0.00 C ATOM 335 C VAL A 26 4.507 11.341 1.709 1.00 0.00 C ATOM 336 O VAL A 26 4.178 11.160 2.882 1.00 0.00 O ATOM 337 CB VAL A 26 3.919 9.055 0.716 1.00 0.00 C ATOM 338 CG1 VAL A 26 3.978 8.130 1.914 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.520 9.612 0.544 1.00 0.00 C ATOM 0 H VAL A 26 6.186 9.286 2.267 1.00 0.00 H new ATOM 0 HA VAL A 26 5.131 10.585 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 26 4.159 8.477 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.222 7.351 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.965 7.672 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.789 8.700 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.807 8.790 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.269 10.237 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.476 10.209 -0.367 1.00 0.00 H new ATOM 349 N PRO A 27 4.478 12.550 1.126 1.00 0.00 N ATOM 350 CA PRO A 27 4.263 13.818 1.846 1.00 0.00 C ATOM 351 C PRO A 27 2.961 13.880 2.636 1.00 0.00 C ATOM 352 O PRO A 27 2.056 13.075 2.420 1.00 0.00 O ATOM 353 CB PRO A 27 4.258 14.861 0.722 1.00 0.00 C ATOM 354 CG PRO A 27 5.042 14.227 -0.362 1.00 0.00 C ATOM 355 CD PRO A 27 4.655 12.783 -0.311 1.00 0.00 C ATOM 0 HA PRO A 27 5.031 13.968 2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.244 15.092 0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.711 15.798 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.807 14.667 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.113 14.356 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.739 12.589 -0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.428 12.141 -0.734 1.00 0.00 H new ATOM 363 N ASP A 28 2.872 14.842 3.542 1.00 0.00 N ATOM 364 CA ASP A 28 1.722 14.975 4.434 1.00 0.00 C ATOM 365 C ASP A 28 0.406 15.056 3.658 1.00 0.00 C ATOM 366 O ASP A 28 -0.577 14.383 3.995 1.00 0.00 O ATOM 367 CB ASP A 28 1.888 16.206 5.326 1.00 0.00 C ATOM 368 CG ASP A 28 0.654 16.482 6.165 1.00 0.00 C ATOM 369 OD1 ASP A 28 0.451 15.790 7.185 1.00 0.00 O ATOM 370 OD2 ASP A 28 -0.123 17.393 5.806 1.00 0.00 O ATOM 0 H ASP A 28 3.591 15.552 3.682 1.00 0.00 H new ATOM 0 HA ASP A 28 1.681 14.081 5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.746 16.063 5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.104 17.075 4.705 1.00 0.00 H new ATOM 375 N GLY A 29 0.386 15.861 2.609 1.00 0.00 N ATOM 376 CA GLY A 29 -0.796 15.938 1.773 1.00 0.00 C ATOM 377 C GLY A 29 -1.088 14.617 1.087 1.00 0.00 C ATOM 378 O GLY A 29 -2.243 14.234 0.908 1.00 0.00 O ATOM 0 H GLY A 29 1.160 16.459 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.653 16.229 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.660 16.716 1.021 1.00 0.00 H new ATOM 382 N MET A 30 -0.034 13.895 0.741 1.00 0.00 N ATOM 383 CA MET A 30 -0.171 12.661 -0.012 1.00 0.00 C ATOM 384 C MET A 30 -0.562 11.487 0.879 1.00 0.00 C ATOM 385 O MET A 30 -1.151 10.527 0.403 1.00 0.00 O ATOM 386 CB MET A 30 1.115 12.347 -0.769 1.00 0.00 C ATOM 387 CG MET A 30 1.454 13.344 -1.868 1.00 0.00 C ATOM 388 SD MET A 30 0.210 13.416 -3.174 1.00 0.00 S ATOM 389 CE MET A 30 -0.906 14.648 -2.518 1.00 0.00 C ATOM 0 H MET A 30 0.928 14.144 0.971 1.00 0.00 H new ATOM 0 HA MET A 30 -0.977 12.810 -0.730 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.941 12.312 -0.059 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.030 11.353 -1.209 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.567 14.335 -1.428 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.416 13.078 -2.306 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.835 14.169 -2.209 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.446 15.135 -1.658 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.119 15.392 -3.286 1.00 0.00 H new ATOM 399 N VAL A 31 -0.232 11.539 2.164 1.00 0.00 N ATOM 400 CA VAL A 31 -0.721 10.519 3.084 1.00 0.00 C ATOM 401 C VAL A 31 -2.222 10.696 3.308 1.00 0.00 C ATOM 402 O VAL A 31 -2.957 9.716 3.442 1.00 0.00 O ATOM 403 CB VAL A 31 0.058 10.477 4.431 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.476 11.854 4.884 1.00 0.00 C ATOM 405 CG2 VAL A 31 -0.761 9.800 5.525 1.00 0.00 C ATOM 0 H VAL A 31 0.357 12.257 2.585 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.541 9.551 2.616 1.00 0.00 H new ATOM 0 HB VAL A 31 0.958 9.890 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.016 11.778 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.122 12.304 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.409 12.476 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.189 9.787 6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.689 10.351 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.992 8.777 5.227 1.00 0.00 H new ATOM 415 N GLY A 32 -2.679 11.941 3.297 1.00 0.00 N ATOM 416 CA GLY A 32 -4.107 12.194 3.341 1.00 0.00 C ATOM 417 C GLY A 32 -4.807 11.683 2.093 1.00 0.00 C ATOM 418 O GLY A 32 -5.970 11.284 2.136 1.00 0.00 O ATOM 0 H GLY A 32 -2.093 12.775 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.535 11.713 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.284 13.265 3.445 1.00 0.00 H new ATOM 422 N LEU A 33 -4.092 11.688 0.975 1.00 0.00 N ATOM 423 CA LEU A 33 -4.643 11.206 -0.286 1.00 0.00 C ATOM 424 C LEU A 33 -4.461 9.696 -0.466 1.00 0.00 C ATOM 425 O LEU A 33 -5.216 9.071 -1.207 1.00 0.00 O ATOM 426 CB LEU A 33 -4.012 11.950 -1.463 1.00 0.00 C ATOM 427 CG LEU A 33 -4.745 13.217 -1.923 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.106 12.863 -2.502 1.00 0.00 C ATOM 429 CD2 LEU A 33 -4.901 14.209 -0.779 1.00 0.00 C ATOM 0 H LEU A 33 -3.130 12.020 0.915 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.714 11.405 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.992 12.222 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.945 11.265 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.143 13.688 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.613 13.773 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.976 12.199 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.706 12.363 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.424 15.096 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.474 13.749 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.917 14.493 -0.407 1.00 0.00 H new ATOM 441 N ILE A 34 -3.470 9.104 0.203 1.00 0.00 N ATOM 442 CA ILE A 34 -3.244 7.661 0.092 1.00 0.00 C ATOM 443 C ILE A 34 -4.357 6.922 0.818 1.00 0.00 C ATOM 444 O ILE A 34 -4.741 5.811 0.452 1.00 0.00 O ATOM 445 CB ILE A 34 -1.865 7.222 0.659 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.519 5.809 0.193 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.849 7.275 2.175 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.303 5.719 -1.298 1.00 0.00 C ATOM 0 H ILE A 34 -2.820 9.592 0.819 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.245 7.411 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.118 7.920 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.618 5.473 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.322 5.130 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.871 6.962 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.051 8.294 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.614 6.607 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.060 4.692 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.211 6.026 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.481 6.374 -1.587 1.00 0.00 H new ATOM 460 N ILE A 35 -4.872 7.565 1.853 1.00 0.00 N ATOM 461 CA ILE A 35 -6.021 7.059 2.574 1.00 0.00 C ATOM 462 C ILE A 35 -7.301 7.540 1.904 1.00 0.00 C ATOM 463 O ILE A 35 -8.392 7.045 2.198 1.00 0.00 O ATOM 464 CB ILE A 35 -5.997 7.475 4.058 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.836 8.988 4.197 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.884 6.738 4.789 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.755 9.468 5.632 1.00 0.00 C ATOM 0 H ILE A 35 -4.506 8.446 2.213 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.984 5.970 2.545 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.949 7.201 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.934 9.297 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.676 9.479 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.875 7.039 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.054 5.663 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.925 6.983 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.641 10.552 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.667 9.191 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.898 9.006 6.122 1.00 0.00 H new ATOM 479 N GLY A 36 -7.134 8.528 1.019 1.00 0.00 N ATOM 480 CA GLY A 36 -8.208 9.016 0.166 1.00 0.00 C ATOM 481 C GLY A 36 -9.425 9.492 0.925 1.00 0.00 C ATOM 482 O GLY A 36 -9.527 10.660 1.296 1.00 0.00 O ATOM 0 H GLY A 36 -6.246 9.009 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.830 9.836 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.506 8.221 -0.517 1.00 0.00 H new ATOM 486 N ARG A 37 -10.342 8.568 1.145 1.00 0.00 N ATOM 487 CA ARG A 37 -11.578 8.829 1.868 1.00 0.00 C ATOM 488 C ARG A 37 -11.319 9.189 3.331 1.00 0.00 C ATOM 489 O ARG A 37 -12.240 9.556 4.058 1.00 0.00 O ATOM 490 CB ARG A 37 -12.472 7.597 1.773 1.00 0.00 C ATOM 491 CG ARG A 37 -11.760 6.309 2.155 1.00 0.00 C ATOM 492 CD ARG A 37 -12.383 5.114 1.459 1.00 0.00 C ATOM 493 NE ARG A 37 -12.378 5.267 0.005 1.00 0.00 N ATOM 494 CZ ARG A 37 -13.304 4.749 -0.798 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.313 4.053 -0.291 1.00 0.00 N ATOM 496 NH2 ARG A 37 -13.232 4.940 -2.109 1.00 0.00 N ATOM 0 H ARG A 37 -10.251 7.604 0.824 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.072 9.688 1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.337 7.733 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.849 7.508 0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.705 6.380 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.807 6.170 3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.838 4.210 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.408 4.985 1.807 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.620 5.802 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.381 3.914 0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.021 3.657 -0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.465 5.485 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.943 4.542 -2.722 1.00 0.00 H new ATOM 510 N GLY A 38 -10.070 9.075 3.757 1.00 0.00 N ATOM 511 CA GLY A 38 -9.707 9.488 5.096 1.00 0.00 C ATOM 512 C GLY A 38 -9.098 8.369 5.910 1.00 0.00 C ATOM 513 O GLY A 38 -8.822 8.539 7.095 1.00 0.00 O ATOM 0 H GLY A 38 -9.301 8.704 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.999 10.315 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.593 9.863 5.608 1.00 0.00 H new ATOM 517 N GLY A 39 -8.894 7.215 5.287 1.00 0.00 N ATOM 518 CA GLY A 39 -8.240 6.122 5.979 1.00 0.00 C ATOM 519 C GLY A 39 -8.558 4.766 5.386 1.00 0.00 C ATOM 520 O GLY A 39 -7.660 3.952 5.177 1.00 0.00 O ATOM 0 H GLY A 39 -9.167 7.018 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.162 6.278 5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.540 6.133 7.027 1.00 0.00 H new ATOM 524 N GLU A 40 -9.832 4.538 5.091 1.00 0.00 N ATOM 525 CA GLU A 40 -10.303 3.226 4.644 1.00 0.00 C ATOM 526 C GLU A 40 -9.639 2.757 3.349 1.00 0.00 C ATOM 527 O GLU A 40 -9.527 1.557 3.117 1.00 0.00 O ATOM 528 CB GLU A 40 -11.824 3.239 4.467 1.00 0.00 C ATOM 529 CG GLU A 40 -12.590 3.296 5.779 1.00 0.00 C ATOM 530 CD GLU A 40 -12.372 2.059 6.627 1.00 0.00 C ATOM 531 OE1 GLU A 40 -11.372 2.014 7.369 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.200 1.126 6.551 1.00 0.00 O ATOM 0 H GLU A 40 -10.563 5.246 5.153 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.022 2.517 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.103 4.097 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.125 2.346 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.280 4.178 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.654 3.408 5.571 1.00 0.00 H new ATOM 539 N GLN A 41 -9.181 3.685 2.513 1.00 0.00 N ATOM 540 CA GLN A 41 -8.656 3.306 1.204 1.00 0.00 C ATOM 541 C GLN A 41 -7.416 2.435 1.320 1.00 0.00 C ATOM 542 O GLN A 41 -7.315 1.427 0.635 1.00 0.00 O ATOM 543 CB GLN A 41 -8.344 4.520 0.338 1.00 0.00 C ATOM 544 CG GLN A 41 -9.088 4.508 -0.987 1.00 0.00 C ATOM 545 CD GLN A 41 -8.711 3.330 -1.864 1.00 0.00 C ATOM 546 OE1 GLN A 41 -9.343 2.275 -1.812 1.00 0.00 O ATOM 547 NE2 GLN A 41 -7.676 3.499 -2.671 1.00 0.00 N ATOM 0 H GLN A 41 -9.162 4.685 2.712 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.445 2.729 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.602 5.427 0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.272 4.557 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.161 4.483 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.881 5.434 -1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.179 4.390 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.375 2.739 -3.281 1.00 0.00 H new ATOM 556 N ILE A 42 -6.476 2.802 2.187 1.00 0.00 N ATOM 557 CA ILE A 42 -5.257 2.014 2.315 1.00 0.00 C ATOM 558 C ILE A 42 -5.585 0.637 2.861 1.00 0.00 C ATOM 559 O ILE A 42 -4.967 -0.351 2.473 1.00 0.00 O ATOM 560 CB ILE A 42 -4.178 2.685 3.200 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.833 1.975 3.022 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.583 2.695 4.668 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.300 2.047 1.606 1.00 0.00 C ATOM 0 H ILE A 42 -6.532 3.618 2.796 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.834 1.935 1.313 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.080 3.722 2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.104 2.418 3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.941 0.929 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.801 3.174 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.515 3.248 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.723 1.671 5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.345 1.525 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.011 1.578 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.160 3.090 1.322 1.00 0.00 H new ATOM 575 N ASN A 43 -6.590 0.576 3.732 1.00 0.00 N ATOM 576 CA ASN A 43 -7.048 -0.692 4.274 1.00 0.00 C ATOM 577 C ASN A 43 -7.548 -1.565 3.141 1.00 0.00 C ATOM 578 O ASN A 43 -7.306 -2.761 3.124 1.00 0.00 O ATOM 579 CB ASN A 43 -8.161 -0.490 5.309 1.00 0.00 C ATOM 580 CG ASN A 43 -7.730 0.395 6.469 1.00 0.00 C ATOM 581 OD1 ASN A 43 -6.563 0.403 6.860 1.00 0.00 O ATOM 582 ND2 ASN A 43 -8.664 1.151 7.026 1.00 0.00 N ATOM 0 H ASN A 43 -7.099 1.391 4.074 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.211 -1.176 4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.029 -0.046 4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.474 -1.460 5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.426 1.765 7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.622 1.119 6.676 1.00 0.00 H new ATOM 589 N LYS A 44 -8.221 -0.947 2.178 1.00 0.00 N ATOM 590 CA LYS A 44 -8.714 -1.662 1.013 1.00 0.00 C ATOM 591 C LYS A 44 -7.576 -2.013 0.059 1.00 0.00 C ATOM 592 O LYS A 44 -7.573 -3.085 -0.527 1.00 0.00 O ATOM 593 CB LYS A 44 -9.794 -0.850 0.282 1.00 0.00 C ATOM 594 CG LYS A 44 -11.203 -1.109 0.804 1.00 0.00 C ATOM 595 CD LYS A 44 -11.363 -0.678 2.253 1.00 0.00 C ATOM 596 CE LYS A 44 -12.655 -1.200 2.858 1.00 0.00 C ATOM 597 NZ LYS A 44 -13.856 -0.764 2.100 1.00 0.00 N ATOM 0 H LYS A 44 -8.437 0.050 2.183 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.163 -2.591 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.568 0.212 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.759 -1.087 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.923 -0.573 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.433 -2.171 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.516 -1.041 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.348 0.410 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.624 -2.289 2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.735 -0.855 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.713 -1.030 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.832 0.268 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.864 -1.225 1.168 1.00 0.00 H new ATOM 611 N ILE A 45 -6.613 -1.113 -0.082 1.00 0.00 N ATOM 612 CA ILE A 45 -5.464 -1.342 -0.958 1.00 0.00 C ATOM 613 C ILE A 45 -4.620 -2.514 -0.468 1.00 0.00 C ATOM 614 O ILE A 45 -4.334 -3.450 -1.221 1.00 0.00 O ATOM 615 CB ILE A 45 -4.564 -0.085 -1.057 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.325 1.073 -1.703 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.297 -0.396 -1.847 1.00 0.00 C ATOM 618 CD1 ILE A 45 -4.570 2.386 -1.674 1.00 0.00 C ATOM 0 H ILE A 45 -6.601 -0.214 0.399 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.866 -1.572 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.279 0.212 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.551 0.816 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.279 1.201 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.677 0.498 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.742 -1.190 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.565 -0.719 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.170 3.162 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.367 2.666 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.628 2.276 -2.211 1.00 0.00 H new ATOM 630 N GLN A 46 -4.228 -2.468 0.797 1.00 0.00 N ATOM 631 CA GLN A 46 -3.338 -3.476 1.347 1.00 0.00 C ATOM 632 C GLN A 46 -4.081 -4.800 1.568 1.00 0.00 C ATOM 633 O GLN A 46 -3.468 -5.867 1.618 1.00 0.00 O ATOM 634 CB GLN A 46 -2.681 -2.958 2.641 1.00 0.00 C ATOM 635 CG GLN A 46 -3.640 -2.624 3.776 1.00 0.00 C ATOM 636 CD GLN A 46 -3.842 -3.769 4.751 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.718 -4.614 4.577 1.00 0.00 O ATOM 638 NE2 GLN A 46 -3.031 -3.796 5.796 1.00 0.00 N ATOM 0 H GLN A 46 -4.512 -1.745 1.459 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.542 -3.674 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.975 -3.709 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.104 -2.065 2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.262 -1.757 4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.605 -2.341 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.316 -3.077 5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.121 -4.536 6.492 1.00 0.00 H new ATOM 647 N GLN A 47 -5.405 -4.726 1.677 1.00 0.00 N ATOM 648 CA GLN A 47 -6.239 -5.915 1.854 1.00 0.00 C ATOM 649 C GLN A 47 -6.548 -6.558 0.503 1.00 0.00 C ATOM 650 O GLN A 47 -6.636 -7.779 0.385 1.00 0.00 O ATOM 651 CB GLN A 47 -7.538 -5.524 2.562 1.00 0.00 C ATOM 652 CG GLN A 47 -8.383 -6.691 3.036 1.00 0.00 C ATOM 653 CD GLN A 47 -7.643 -7.589 4.007 1.00 0.00 C ATOM 654 OE1 GLN A 47 -7.004 -8.567 3.614 1.00 0.00 O ATOM 655 NE2 GLN A 47 -7.716 -7.259 5.283 1.00 0.00 N ATOM 0 H GLN A 47 -5.927 -3.850 1.646 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.699 -6.641 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.293 -4.899 3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.135 -4.914 1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.286 -6.311 3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.702 -7.278 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.255 -6.442 5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.233 -7.821 5.984 1.00 0.00 H new ATOM 664 N ASP A 48 -6.717 -5.718 -0.508 1.00 0.00 N ATOM 665 CA ASP A 48 -7.005 -6.174 -1.867 1.00 0.00 C ATOM 666 C ASP A 48 -5.792 -6.873 -2.468 1.00 0.00 C ATOM 667 O ASP A 48 -5.922 -7.889 -3.155 1.00 0.00 O ATOM 668 CB ASP A 48 -7.409 -4.978 -2.737 1.00 0.00 C ATOM 669 CG ASP A 48 -7.705 -5.342 -4.177 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.848 -5.760 -4.466 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.809 -5.173 -5.032 1.00 0.00 O ATOM 0 H ASP A 48 -6.659 -4.704 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.828 -6.888 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.290 -4.506 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.608 -4.239 -2.716 1.00 0.00 H new ATOM 676 N SER A 49 -4.615 -6.329 -2.194 1.00 0.00 N ATOM 677 CA SER A 49 -3.380 -6.882 -2.723 1.00 0.00 C ATOM 678 C SER A 49 -2.864 -8.027 -1.856 1.00 0.00 C ATOM 679 O SER A 49 -2.375 -9.035 -2.365 1.00 0.00 O ATOM 680 CB SER A 49 -2.321 -5.783 -2.831 1.00 0.00 C ATOM 681 OG SER A 49 -2.153 -5.107 -1.593 1.00 0.00 O ATOM 0 H SER A 49 -4.491 -5.504 -1.607 1.00 0.00 H new ATOM 0 HA SER A 49 -3.587 -7.283 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.372 -6.219 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.612 -5.069 -3.602 1.00 0.00 H new ATOM 0 HG SER A 49 -2.865 -4.442 -1.484 1.00 0.00 H new ATOM 687 N GLY A 50 -2.979 -7.867 -0.542 1.00 0.00 N ATOM 688 CA GLY A 50 -2.462 -8.864 0.376 1.00 0.00 C ATOM 689 C GLY A 50 -1.082 -8.497 0.882 1.00 0.00 C ATOM 690 O GLY A 50 -0.454 -9.259 1.615 1.00 0.00 O ATOM 0 H GLY A 50 -3.422 -7.063 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.143 -8.969 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.421 -9.832 -0.123 1.00 0.00 H new ATOM 694 N CYS A 51 -0.609 -7.326 0.478 1.00 0.00 N ATOM 695 CA CYS A 51 0.701 -6.843 0.883 1.00 0.00 C ATOM 696 C CYS A 51 0.641 -6.247 2.280 1.00 0.00 C ATOM 697 O CYS A 51 -0.364 -5.655 2.673 1.00 0.00 O ATOM 698 CB CYS A 51 1.202 -5.792 -0.106 1.00 0.00 C ATOM 699 SG CYS A 51 2.837 -5.124 0.283 1.00 0.00 S ATOM 0 H CYS A 51 -1.119 -6.690 -0.135 1.00 0.00 H new ATOM 0 HA CYS A 51 1.392 -7.686 0.891 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.230 -6.232 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.486 -4.971 -0.140 1.00 0.00 H new ATOM 0 HG CYS A 51 3.351 -5.787 1.276 1.00 0.00 H new ATOM 705 N LYS A 52 1.719 -6.405 3.030 1.00 0.00 N ATOM 706 CA LYS A 52 1.801 -5.834 4.358 1.00 0.00 C ATOM 707 C LYS A 52 2.271 -4.394 4.249 1.00 0.00 C ATOM 708 O LYS A 52 3.451 -4.098 4.417 1.00 0.00 O ATOM 709 CB LYS A 52 2.756 -6.641 5.248 1.00 0.00 C ATOM 710 CG LYS A 52 2.449 -8.135 5.325 1.00 0.00 C ATOM 711 CD LYS A 52 1.111 -8.431 5.999 1.00 0.00 C ATOM 712 CE LYS A 52 -0.060 -8.238 5.047 1.00 0.00 C ATOM 713 NZ LYS A 52 -1.365 -8.546 5.684 1.00 0.00 N ATOM 0 H LYS A 52 2.547 -6.924 2.739 1.00 0.00 H new ATOM 0 HA LYS A 52 0.814 -5.866 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.773 -6.512 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.729 -6.226 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.443 -8.552 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.246 -8.637 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.111 -9.456 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.988 -7.778 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.068 -7.208 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.075 -8.878 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.131 -8.399 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.371 -9.536 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.509 -7.919 6.501 1.00 0.00 H new ATOM 727 N VAL A 53 1.342 -3.508 3.938 1.00 0.00 N ATOM 728 CA VAL A 53 1.664 -2.104 3.779 1.00 0.00 C ATOM 729 C VAL A 53 1.712 -1.441 5.147 1.00 0.00 C ATOM 730 O VAL A 53 0.687 -1.240 5.795 1.00 0.00 O ATOM 731 CB VAL A 53 0.632 -1.397 2.872 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.049 0.034 2.578 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.443 -2.176 1.578 1.00 0.00 C ATOM 0 H VAL A 53 0.359 -3.737 3.791 1.00 0.00 H new ATOM 0 HA VAL A 53 2.639 -2.018 3.300 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.319 -1.365 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.304 0.506 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.128 0.589 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.015 0.035 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.287 -1.666 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.394 -2.241 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.086 -3.180 1.807 1.00 0.00 H new ATOM 743 N GLN A 54 2.918 -1.132 5.585 1.00 0.00 N ATOM 744 CA GLN A 54 3.140 -0.631 6.927 1.00 0.00 C ATOM 745 C GLN A 54 3.197 0.878 6.937 1.00 0.00 C ATOM 746 O GLN A 54 4.168 1.486 6.481 1.00 0.00 O ATOM 747 CB GLN A 54 4.418 -1.237 7.501 1.00 0.00 C ATOM 748 CG GLN A 54 4.297 -2.735 7.695 1.00 0.00 C ATOM 749 CD GLN A 54 3.272 -3.094 8.756 1.00 0.00 C ATOM 750 OE1 GLN A 54 3.619 -3.340 9.910 1.00 0.00 O ATOM 751 NE2 GLN A 54 1.998 -3.047 8.392 1.00 0.00 N ATOM 0 H GLN A 54 3.766 -1.221 5.025 1.00 0.00 H new ATOM 0 HA GLN A 54 2.302 -0.929 7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.252 -1.024 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.646 -0.765 8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.018 -3.201 6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.268 -3.143 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.751 -2.840 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.264 -3.218 9.080 1.00 0.00 H new ATOM 760 N ILE A 55 2.141 1.472 7.450 1.00 0.00 N ATOM 761 CA ILE A 55 2.036 2.909 7.503 1.00 0.00 C ATOM 762 C ILE A 55 2.810 3.461 8.696 1.00 0.00 C ATOM 763 O ILE A 55 2.432 3.239 9.845 1.00 0.00 O ATOM 764 CB ILE A 55 0.556 3.360 7.578 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.197 2.968 6.301 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.447 4.855 7.824 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.441 3.474 5.025 1.00 0.00 C ATOM 0 H ILE A 55 1.339 0.975 7.838 1.00 0.00 H new ATOM 0 HA ILE A 55 2.470 3.306 6.585 1.00 0.00 H new ATOM 0 HB ILE A 55 0.095 2.847 8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.267 1.881 6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.216 3.351 6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.604 5.140 7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.934 5.105 8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.933 5.394 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.153 3.153 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.486 4.563 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.450 3.071 4.938 1.00 0.00 H new ATOM 779 N SER A 56 3.903 4.158 8.414 1.00 0.00 N ATOM 780 CA SER A 56 4.687 4.804 9.455 1.00 0.00 C ATOM 781 C SER A 56 4.290 6.278 9.554 1.00 0.00 C ATOM 782 O SER A 56 4.746 7.108 8.762 1.00 0.00 O ATOM 783 CB SER A 56 6.183 4.663 9.148 1.00 0.00 C ATOM 784 OG SER A 56 6.521 3.299 8.934 1.00 0.00 O ATOM 0 H SER A 56 4.266 4.290 7.470 1.00 0.00 H new ATOM 0 HA SER A 56 4.488 4.323 10.413 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.436 5.249 8.265 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.769 5.064 9.975 1.00 0.00 H new ATOM 0 HG SER A 56 7.478 3.226 8.738 1.00 0.00 H new ATOM 790 N PRO A 57 3.417 6.611 10.526 1.00 0.00 N ATOM 791 CA PRO A 57 2.828 7.952 10.656 1.00 0.00 C ATOM 792 C PRO A 57 3.881 9.031 10.859 1.00 0.00 C ATOM 793 O PRO A 57 3.791 10.119 10.289 1.00 0.00 O ATOM 794 CB PRO A 57 1.930 7.841 11.896 1.00 0.00 C ATOM 795 CG PRO A 57 1.700 6.380 12.078 1.00 0.00 C ATOM 796 CD PRO A 57 2.949 5.708 11.591 1.00 0.00 C ATOM 0 HA PRO A 57 2.291 8.243 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.411 8.277 12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.990 8.373 11.751 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.510 6.141 13.124 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.830 6.047 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.688 5.604 12.386 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.747 4.707 11.211 1.00 0.00 H new ATOM 804 N ASP A 58 4.871 8.726 11.676 1.00 0.00 N ATOM 805 CA ASP A 58 5.983 9.632 11.891 1.00 0.00 C ATOM 806 C ASP A 58 7.243 8.972 11.368 1.00 0.00 C ATOM 807 O ASP A 58 7.785 8.070 12.001 1.00 0.00 O ATOM 808 CB ASP A 58 6.138 9.973 13.375 1.00 0.00 C ATOM 809 CG ASP A 58 7.015 11.189 13.601 1.00 0.00 C ATOM 810 OD1 ASP A 58 8.231 11.117 13.346 1.00 0.00 O ATOM 811 OD2 ASP A 58 6.484 12.233 14.038 1.00 0.00 O ATOM 0 H ASP A 58 4.928 7.855 12.203 1.00 0.00 H new ATOM 0 HA ASP A 58 5.798 10.566 11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.154 10.153 13.808 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.566 9.118 13.899 1.00 0.00 H new ATOM 816 N SER A 59 7.689 9.401 10.201 1.00 0.00 N ATOM 817 CA SER A 59 8.788 8.734 9.525 1.00 0.00 C ATOM 818 C SER A 59 10.112 8.930 10.266 1.00 0.00 C ATOM 819 O SER A 59 11.021 8.105 10.157 1.00 0.00 O ATOM 820 CB SER A 59 8.909 9.234 8.088 1.00 0.00 C ATOM 821 OG SER A 59 9.934 8.538 7.398 1.00 0.00 O ATOM 0 H SER A 59 7.309 10.206 9.703 1.00 0.00 H new ATOM 0 HA SER A 59 8.569 7.666 9.515 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.959 9.099 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.124 10.303 8.087 1.00 0.00 H new ATOM 0 HG SER A 59 10.805 8.917 7.638 1.00 0.00 H new ATOM 827 N GLY A 60 10.222 10.016 11.018 1.00 0.00 N ATOM 828 CA GLY A 60 11.440 10.283 11.754 1.00 0.00 C ATOM 829 C GLY A 60 12.429 11.099 10.947 1.00 0.00 C ATOM 830 O GLY A 60 12.507 12.317 11.100 1.00 0.00 O ATOM 0 H GLY A 60 9.489 10.717 11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.197 10.815 12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.902 9.339 12.044 1.00 0.00 H new ATOM 834 N GLY A 61 13.183 10.427 10.081 1.00 0.00 N ATOM 835 CA GLY A 61 14.140 11.117 9.232 1.00 0.00 C ATOM 836 C GLY A 61 13.456 12.020 8.237 1.00 0.00 C ATOM 837 O GLY A 61 13.985 13.061 7.845 1.00 0.00 O ATOM 0 H GLY A 61 13.148 9.416 9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.817 11.705 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.748 10.385 8.701 1.00 0.00 H new ATOM 841 N LEU A 62 12.270 11.613 7.839 1.00 0.00 N ATOM 842 CA LEU A 62 11.509 12.327 6.840 1.00 0.00 C ATOM 843 C LEU A 62 10.476 13.220 7.513 1.00 0.00 C ATOM 844 O LEU A 62 9.850 12.821 8.499 1.00 0.00 O ATOM 845 CB LEU A 62 10.828 11.311 5.919 1.00 0.00 C ATOM 846 CG LEU A 62 11.766 10.255 5.333 1.00 0.00 C ATOM 847 CD1 LEU A 62 10.999 9.289 4.454 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.898 10.913 4.561 1.00 0.00 C ATOM 0 H LEU A 62 11.808 10.778 8.199 1.00 0.00 H new ATOM 0 HA LEU A 62 12.171 12.961 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.038 10.807 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.348 11.847 5.100 1.00 0.00 H new ATOM 0 HG LEU A 62 12.203 9.689 6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.684 8.545 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.231 8.790 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.529 9.836 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.554 10.145 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.485 11.509 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.468 11.558 5.230 1.00 0.00 H new ATOM 860 N PRO A 63 10.303 14.452 7.005 1.00 0.00 N ATOM 861 CA PRO A 63 9.292 15.385 7.512 1.00 0.00 C ATOM 862 C PRO A 63 7.900 14.951 7.092 1.00 0.00 C ATOM 863 O PRO A 63 6.895 15.365 7.668 1.00 0.00 O ATOM 864 CB PRO A 63 9.662 16.705 6.838 1.00 0.00 C ATOM 865 CG PRO A 63 10.314 16.298 5.567 1.00 0.00 C ATOM 866 CD PRO A 63 11.070 15.034 5.882 1.00 0.00 C ATOM 0 HA PRO A 63 9.277 15.445 8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.780 17.319 6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.336 17.294 7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.574 16.127 4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.986 17.076 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.103 14.361 5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.102 15.242 6.164 1.00 0.00 H new ATOM 874 N GLU A 64 7.868 14.120 6.069 1.00 0.00 N ATOM 875 CA GLU A 64 6.641 13.561 5.564 1.00 0.00 C ATOM 876 C GLU A 64 6.414 12.175 6.152 1.00 0.00 C ATOM 877 O GLU A 64 7.164 11.716 7.016 1.00 0.00 O ATOM 878 CB GLU A 64 6.689 13.513 4.035 1.00 0.00 C ATOM 879 CG GLU A 64 7.968 12.909 3.474 1.00 0.00 C ATOM 880 CD GLU A 64 8.614 13.793 2.427 1.00 0.00 C ATOM 881 OE1 GLU A 64 8.219 13.718 1.243 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.522 14.568 2.788 1.00 0.00 O ATOM 0 H GLU A 64 8.701 13.815 5.565 1.00 0.00 H new ATOM 0 HA GLU A 64 5.804 14.192 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.838 12.936 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.577 14.525 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.673 12.739 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.745 11.936 3.037 1.00 0.00 H new ATOM 889 N ARG A 65 5.383 11.516 5.676 1.00 0.00 N ATOM 890 CA ARG A 65 4.985 10.226 6.199 1.00 0.00 C ATOM 891 C ARG A 65 5.618 9.128 5.338 1.00 0.00 C ATOM 892 O ARG A 65 5.703 9.273 4.126 1.00 0.00 O ATOM 893 CB ARG A 65 3.450 10.164 6.180 1.00 0.00 C ATOM 894 CG ARG A 65 2.824 9.063 7.022 1.00 0.00 C ATOM 895 CD ARG A 65 2.994 7.699 6.385 1.00 0.00 C ATOM 896 NE ARG A 65 2.592 7.708 4.979 1.00 0.00 N ATOM 897 CZ ARG A 65 1.403 7.306 4.536 1.00 0.00 C ATOM 898 NH1 ARG A 65 0.486 6.863 5.387 1.00 0.00 N ATOM 899 NH2 ARG A 65 1.129 7.350 3.239 1.00 0.00 N ATOM 0 H ARG A 65 4.795 11.858 4.915 1.00 0.00 H new ATOM 0 HA ARG A 65 5.326 10.079 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.062 11.123 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.123 10.038 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.279 9.060 8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.763 9.270 7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.035 7.387 6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.399 6.966 6.930 1.00 0.00 H new ATOM 0 HE ARG A 65 3.267 8.045 4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.691 6.829 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.424 6.556 5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.829 7.692 2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.218 7.042 2.900 1.00 0.00 H new ATOM 913 N SER A 66 6.070 8.039 5.944 1.00 0.00 N ATOM 914 CA SER A 66 6.713 6.987 5.166 1.00 0.00 C ATOM 915 C SER A 66 5.903 5.693 5.203 1.00 0.00 C ATOM 916 O SER A 66 5.171 5.425 6.159 1.00 0.00 O ATOM 917 CB SER A 66 8.141 6.757 5.663 1.00 0.00 C ATOM 918 OG SER A 66 8.162 6.374 7.027 1.00 0.00 O ATOM 0 H SER A 66 6.007 7.861 6.946 1.00 0.00 H new ATOM 0 HA SER A 66 6.757 7.312 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.617 5.984 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.724 7.668 5.531 1.00 0.00 H new ATOM 0 HG SER A 66 8.855 6.881 7.499 1.00 0.00 H new ATOM 924 N VAL A 67 6.012 4.912 4.139 1.00 0.00 N ATOM 925 CA VAL A 67 5.273 3.662 4.018 1.00 0.00 C ATOM 926 C VAL A 67 6.199 2.528 3.632 1.00 0.00 C ATOM 927 O VAL A 67 6.748 2.525 2.535 1.00 0.00 O ATOM 928 CB VAL A 67 4.169 3.756 2.945 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.428 2.438 2.819 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.204 4.877 3.259 1.00 0.00 C ATOM 0 H VAL A 67 6.610 5.123 3.340 1.00 0.00 H new ATOM 0 HA VAL A 67 4.821 3.471 4.991 1.00 0.00 H new ATOM 0 HB VAL A 67 4.647 3.975 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.654 2.527 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.128 1.653 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.969 2.186 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.435 4.922 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.737 4.694 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.743 5.824 3.290 1.00 0.00 H new ATOM 940 N SER A 68 6.372 1.567 4.513 1.00 0.00 N ATOM 941 CA SER A 68 7.131 0.392 4.161 1.00 0.00 C ATOM 942 C SER A 68 6.240 -0.629 3.485 1.00 0.00 C ATOM 943 O SER A 68 5.163 -0.963 3.976 1.00 0.00 O ATOM 944 CB SER A 68 7.786 -0.238 5.368 1.00 0.00 C ATOM 945 OG SER A 68 8.766 0.618 5.930 1.00 0.00 O ATOM 0 H SER A 68 6.003 1.576 5.464 1.00 0.00 H new ATOM 0 HA SER A 68 7.915 0.710 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.028 -0.467 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.247 -1.183 5.082 1.00 0.00 H new ATOM 0 HG SER A 68 8.698 1.506 5.521 1.00 0.00 H new ATOM 951 N LEU A 69 6.697 -1.109 2.357 1.00 0.00 N ATOM 952 CA LEU A 69 5.945 -2.063 1.580 1.00 0.00 C ATOM 953 C LEU A 69 6.662 -3.406 1.516 1.00 0.00 C ATOM 954 O LEU A 69 7.817 -3.481 1.089 1.00 0.00 O ATOM 955 CB LEU A 69 5.749 -1.490 0.192 1.00 0.00 C ATOM 956 CG LEU A 69 4.947 -0.189 0.153 1.00 0.00 C ATOM 957 CD1 LEU A 69 5.459 0.733 -0.939 1.00 0.00 C ATOM 958 CD2 LEU A 69 3.474 -0.485 -0.060 1.00 0.00 C ATOM 0 H LEU A 69 7.597 -0.852 1.952 1.00 0.00 H new ATOM 0 HA LEU A 69 4.978 -2.241 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.727 -1.313 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.244 -2.232 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 69 5.072 0.315 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.871 1.651 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.506 0.973 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.368 0.238 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.915 0.450 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.342 -1.013 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.106 -1.105 0.757 1.00 0.00 H new ATOM 970 N THR A 70 5.992 -4.459 1.976 1.00 0.00 N ATOM 971 CA THR A 70 6.574 -5.797 1.982 1.00 0.00 C ATOM 972 C THR A 70 5.491 -6.874 1.864 1.00 0.00 C ATOM 973 O THR A 70 4.418 -6.743 2.447 1.00 0.00 O ATOM 974 CB THR A 70 7.389 -6.024 3.268 1.00 0.00 C ATOM 975 OG1 THR A 70 8.401 -5.016 3.379 1.00 0.00 O ATOM 976 CG2 THR A 70 8.035 -7.396 3.267 1.00 0.00 C ATOM 0 H THR A 70 5.044 -4.411 2.350 1.00 0.00 H new ATOM 0 HA THR A 70 7.234 -5.873 1.118 1.00 0.00 H new ATOM 0 HB THR A 70 6.712 -5.964 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.417 -4.477 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.605 -7.531 4.186 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.262 -8.162 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.703 -7.483 2.410 1.00 0.00 H new ATOM 984 N GLY A 71 5.774 -7.932 1.111 1.00 0.00 N ATOM 985 CA GLY A 71 4.821 -9.015 0.975 1.00 0.00 C ATOM 986 C GLY A 71 5.240 -10.027 -0.070 1.00 0.00 C ATOM 987 O GLY A 71 6.407 -10.409 -0.143 1.00 0.00 O ATOM 0 H GLY A 71 6.644 -8.058 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.706 -9.516 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.846 -8.606 0.710 1.00 0.00 H new ATOM 991 N ALA A 72 4.286 -10.457 -0.880 1.00 0.00 N ATOM 992 CA ALA A 72 4.545 -11.405 -1.949 1.00 0.00 C ATOM 993 C ALA A 72 4.758 -10.647 -3.254 1.00 0.00 C ATOM 994 O ALA A 72 4.393 -9.478 -3.339 1.00 0.00 O ATOM 995 CB ALA A 72 3.383 -12.384 -2.069 1.00 0.00 C ATOM 0 H ALA A 72 3.313 -10.159 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 72 5.446 -11.976 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.585 -13.092 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.265 -12.925 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.467 -11.836 -2.290 1.00 0.00 H new ATOM 1001 N PRO A 73 5.344 -11.288 -4.286 1.00 0.00 N ATOM 1002 CA PRO A 73 5.647 -10.629 -5.563 1.00 0.00 C ATOM 1003 C PRO A 73 4.465 -9.832 -6.115 1.00 0.00 C ATOM 1004 O PRO A 73 4.604 -8.661 -6.473 1.00 0.00 O ATOM 1005 CB PRO A 73 5.998 -11.794 -6.505 1.00 0.00 C ATOM 1006 CG PRO A 73 5.673 -13.044 -5.753 1.00 0.00 C ATOM 1007 CD PRO A 73 5.768 -12.692 -4.299 1.00 0.00 C ATOM 0 HA PRO A 73 6.449 -9.899 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.424 -11.735 -7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.052 -11.768 -6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.674 -13.400 -6.003 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.369 -13.843 -6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.119 -13.318 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.782 -12.814 -3.917 1.00 0.00 H new ATOM 1015 N GLU A 74 3.296 -10.459 -6.139 1.00 0.00 N ATOM 1016 CA GLU A 74 2.109 -9.838 -6.705 1.00 0.00 C ATOM 1017 C GLU A 74 1.527 -8.795 -5.754 1.00 0.00 C ATOM 1018 O GLU A 74 1.103 -7.720 -6.178 1.00 0.00 O ATOM 1019 CB GLU A 74 1.064 -10.911 -7.022 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.204 -10.369 -7.661 1.00 0.00 C ATOM 1021 CD GLU A 74 -1.184 -11.465 -8.021 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -2.012 -11.838 -7.165 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -1.127 -11.964 -9.165 1.00 0.00 O ATOM 0 H GLU A 74 3.146 -11.399 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 74 2.392 -9.329 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.508 -11.650 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.801 -11.431 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.682 -9.669 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.056 -9.809 -8.559 1.00 0.00 H new ATOM 1030 N SER A 75 1.535 -9.103 -4.464 1.00 0.00 N ATOM 1031 CA SER A 75 0.912 -8.237 -3.480 1.00 0.00 C ATOM 1032 C SER A 75 1.720 -6.964 -3.307 1.00 0.00 C ATOM 1033 O SER A 75 1.178 -5.859 -3.328 1.00 0.00 O ATOM 1034 CB SER A 75 0.778 -8.964 -2.142 1.00 0.00 C ATOM 1035 OG SER A 75 2.009 -9.056 -1.452 1.00 0.00 O ATOM 0 H SER A 75 1.965 -9.944 -4.078 1.00 0.00 H new ATOM 0 HA SER A 75 -0.084 -7.971 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.053 -8.440 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.385 -9.966 -2.314 1.00 0.00 H new ATOM 0 HG SER A 75 1.839 -9.192 -0.497 1.00 0.00 H new ATOM 1041 N VAL A 76 3.023 -7.135 -3.151 1.00 0.00 N ATOM 1042 CA VAL A 76 3.919 -6.018 -2.931 1.00 0.00 C ATOM 1043 C VAL A 76 3.959 -5.121 -4.168 1.00 0.00 C ATOM 1044 O VAL A 76 4.146 -3.910 -4.062 1.00 0.00 O ATOM 1045 CB VAL A 76 5.341 -6.500 -2.546 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.229 -6.716 -3.766 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.970 -5.529 -1.566 1.00 0.00 C ATOM 0 H VAL A 76 3.483 -8.045 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 76 3.537 -5.436 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 76 5.245 -7.472 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.214 -7.053 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.781 -7.470 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.328 -5.779 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.969 -5.875 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.038 -4.542 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.356 -5.470 -0.667 1.00 0.00 H new ATOM 1057 N GLN A 77 3.740 -5.722 -5.334 1.00 0.00 N ATOM 1058 CA GLN A 77 3.680 -4.972 -6.576 1.00 0.00 C ATOM 1059 C GLN A 77 2.431 -4.098 -6.596 1.00 0.00 C ATOM 1060 O GLN A 77 2.508 -2.891 -6.828 1.00 0.00 O ATOM 1061 CB GLN A 77 3.678 -5.925 -7.774 1.00 0.00 C ATOM 1062 CG GLN A 77 3.664 -5.213 -9.117 1.00 0.00 C ATOM 1063 CD GLN A 77 3.578 -6.170 -10.287 1.00 0.00 C ATOM 1064 OE1 GLN A 77 3.020 -5.833 -11.334 1.00 0.00 O ATOM 1065 NE2 GLN A 77 4.131 -7.363 -10.127 1.00 0.00 N ATOM 0 H GLN A 77 3.602 -6.727 -5.440 1.00 0.00 H new ATOM 0 HA GLN A 77 4.560 -4.333 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.559 -6.565 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.807 -6.576 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.817 -4.528 -9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.567 -4.609 -9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.583 -7.601 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.105 -8.043 -10.887 1.00 0.00 H new ATOM 1074 N LYS A 78 1.285 -4.714 -6.317 1.00 0.00 N ATOM 1075 CA LYS A 78 0.006 -4.012 -6.329 1.00 0.00 C ATOM 1076 C LYS A 78 -0.021 -2.916 -5.262 1.00 0.00 C ATOM 1077 O LYS A 78 -0.526 -1.815 -5.499 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.140 -5.003 -6.098 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.519 -4.408 -6.329 1.00 0.00 C ATOM 1080 CD LYS A 78 -2.733 -4.049 -7.792 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.051 -3.332 -7.995 1.00 0.00 C ATOM 1082 NZ LYS A 78 -4.315 -3.051 -9.430 1.00 0.00 N ATOM 0 H LYS A 78 1.217 -5.703 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.121 -3.543 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.008 -5.858 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.083 -5.379 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.281 -5.120 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.640 -3.517 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.915 -3.416 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.712 -4.955 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.860 -3.939 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.044 -2.396 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.227 -2.560 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.556 -2.451 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.347 -3.946 -9.959 1.00 0.00 H new ATOM 1096 N ALA A 79 0.529 -3.224 -4.092 1.00 0.00 N ATOM 1097 CA ALA A 79 0.623 -2.256 -3.005 1.00 0.00 C ATOM 1098 C ALA A 79 1.415 -1.024 -3.434 1.00 0.00 C ATOM 1099 O ALA A 79 1.034 0.111 -3.144 1.00 0.00 O ATOM 1100 CB ALA A 79 1.283 -2.887 -1.796 1.00 0.00 C ATOM 0 H ALA A 79 0.918 -4.141 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.389 -1.946 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.347 -2.154 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.692 -3.740 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.286 -3.222 -2.062 1.00 0.00 H new ATOM 1106 N LYS A 80 2.503 -1.256 -4.156 1.00 0.00 N ATOM 1107 CA LYS A 80 3.398 -0.180 -4.554 1.00 0.00 C ATOM 1108 C LYS A 80 2.845 0.528 -5.771 1.00 0.00 C ATOM 1109 O LYS A 80 3.208 1.662 -6.057 1.00 0.00 O ATOM 1110 CB LYS A 80 4.808 -0.696 -4.844 1.00 0.00 C ATOM 1111 CG LYS A 80 5.516 -1.258 -3.622 1.00 0.00 C ATOM 1112 CD LYS A 80 6.995 -1.471 -3.890 1.00 0.00 C ATOM 1113 CE LYS A 80 7.223 -2.456 -5.022 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.651 -2.514 -5.425 1.00 0.00 N ATOM 0 H LYS A 80 2.787 -2.181 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 80 3.466 0.522 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.752 -1.471 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.405 0.117 -5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.391 -0.576 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.056 -2.204 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.461 -0.517 -4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.480 -1.837 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.892 -3.448 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.615 -2.170 -5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.722 -2.462 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.164 -1.714 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.069 -3.407 -5.094 1.00 0.00 H new ATOM 1128 N MET A 81 1.987 -0.166 -6.496 1.00 0.00 N ATOM 1129 CA MET A 81 1.278 0.409 -7.614 1.00 0.00 C ATOM 1130 C MET A 81 0.441 1.607 -7.155 1.00 0.00 C ATOM 1131 O MET A 81 0.540 2.698 -7.722 1.00 0.00 O ATOM 1132 CB MET A 81 0.408 -0.678 -8.245 1.00 0.00 C ATOM 1133 CG MET A 81 -0.760 -0.156 -9.044 1.00 0.00 C ATOM 1134 SD MET A 81 -0.266 0.721 -10.542 1.00 0.00 S ATOM 1135 CE MET A 81 -1.866 1.171 -11.213 1.00 0.00 C ATOM 0 H MET A 81 1.765 -1.146 -6.322 1.00 0.00 H new ATOM 0 HA MET A 81 1.982 0.778 -8.360 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.031 -1.293 -8.894 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.031 -1.328 -7.456 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.407 -0.990 -9.316 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.350 0.513 -8.417 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.728 1.721 -12.144 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.446 0.269 -11.407 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.398 1.797 -10.497 1.00 0.00 H new ATOM 1145 N MET A 82 -0.354 1.411 -6.103 1.00 0.00 N ATOM 1146 CA MET A 82 -1.172 2.494 -5.557 1.00 0.00 C ATOM 1147 C MET A 82 -0.304 3.541 -4.867 1.00 0.00 C ATOM 1148 O MET A 82 -0.575 4.737 -4.949 1.00 0.00 O ATOM 1149 CB MET A 82 -2.218 1.965 -4.571 1.00 0.00 C ATOM 1150 CG MET A 82 -3.345 1.182 -5.222 1.00 0.00 C ATOM 1151 SD MET A 82 -4.110 2.071 -6.596 1.00 0.00 S ATOM 1152 CE MET A 82 -4.752 3.519 -5.756 1.00 0.00 C ATOM 0 H MET A 82 -0.449 0.520 -5.615 1.00 0.00 H new ATOM 0 HA MET A 82 -1.689 2.958 -6.397 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.722 1.327 -3.840 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.643 2.806 -4.024 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.959 0.229 -5.582 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.104 0.956 -4.473 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.402 4.074 -6.433 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.321 3.209 -4.880 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.924 4.156 -5.444 1.00 0.00 H new ATOM 1162 N LEU A 83 0.741 3.084 -4.189 1.00 0.00 N ATOM 1163 CA LEU A 83 1.665 3.988 -3.510 1.00 0.00 C ATOM 1164 C LEU A 83 2.315 4.930 -4.509 1.00 0.00 C ATOM 1165 O LEU A 83 2.231 6.149 -4.372 1.00 0.00 O ATOM 1166 CB LEU A 83 2.742 3.197 -2.757 1.00 0.00 C ATOM 1167 CG LEU A 83 2.539 3.069 -1.243 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.627 4.434 -0.575 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.203 2.410 -0.929 1.00 0.00 C ATOM 0 H LEU A 83 0.971 2.095 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 83 1.097 4.576 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.795 2.195 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.707 3.672 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 83 3.333 2.436 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.480 4.323 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.608 4.869 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.855 5.088 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.082 2.330 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.394 3.013 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.175 1.414 -1.372 1.00 0.00 H new ATOM 1181 N ASP A 84 2.934 4.348 -5.525 1.00 0.00 N ATOM 1182 CA ASP A 84 3.597 5.108 -6.577 1.00 0.00 C ATOM 1183 C ASP A 84 2.635 6.098 -7.215 1.00 0.00 C ATOM 1184 O ASP A 84 3.022 7.203 -7.578 1.00 0.00 O ATOM 1185 CB ASP A 84 4.146 4.154 -7.640 1.00 0.00 C ATOM 1186 CG ASP A 84 4.788 4.871 -8.807 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.977 5.232 -8.703 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.116 5.057 -9.840 1.00 0.00 O ATOM 0 H ASP A 84 2.992 3.337 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 84 4.421 5.667 -6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.879 3.491 -7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.335 3.526 -8.009 1.00 0.00 H new ATOM 1193 N ASP A 85 1.376 5.697 -7.315 1.00 0.00 N ATOM 1194 CA ASP A 85 0.346 6.520 -7.931 1.00 0.00 C ATOM 1195 C ASP A 85 0.168 7.849 -7.189 1.00 0.00 C ATOM 1196 O ASP A 85 0.309 8.927 -7.776 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.974 5.747 -7.966 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.067 6.491 -8.704 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.136 6.372 -9.943 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.862 7.197 -8.049 1.00 0.00 O ATOM 0 H ASP A 85 1.041 4.796 -6.973 1.00 0.00 H new ATOM 0 HA ASP A 85 0.658 6.754 -8.949 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.812 4.781 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.301 5.548 -6.945 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.116 7.774 -5.895 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.337 8.973 -5.091 1.00 0.00 C ATOM 1207 C ILE A 86 0.968 9.741 -4.894 1.00 0.00 C ATOM 1208 O ILE A 86 1.007 10.970 -4.976 1.00 0.00 O ATOM 1209 CB ILE A 86 -0.981 8.639 -3.718 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.471 8.318 -3.883 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.802 9.787 -2.731 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.755 7.003 -4.577 1.00 0.00 C ATOM 0 H ILE A 86 -0.199 6.898 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.037 9.604 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.472 7.761 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.938 8.303 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.943 9.122 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.263 9.524 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.261 9.974 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.276 10.685 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.832 6.856 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.321 7.018 -5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.316 6.187 -4.003 1.00 0.00 H new ATOM 1224 N VAL A 87 2.049 9.022 -4.671 1.00 0.00 N ATOM 1225 CA VAL A 87 3.339 9.662 -4.513 1.00 0.00 C ATOM 1226 C VAL A 87 3.722 10.400 -5.800 1.00 0.00 C ATOM 1227 O VAL A 87 4.415 11.414 -5.772 1.00 0.00 O ATOM 1228 CB VAL A 87 4.432 8.643 -4.125 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.779 9.330 -3.981 1.00 0.00 C ATOM 1230 CG2 VAL A 87 4.067 7.937 -2.830 1.00 0.00 C ATOM 0 H VAL A 87 2.061 8.005 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 87 3.260 10.384 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 87 4.502 7.902 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.535 8.594 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.052 9.797 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.717 10.093 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.849 7.223 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.969 8.671 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.121 7.410 -2.957 1.00 0.00 H new ATOM 1240 N SER A 88 3.233 9.913 -6.927 1.00 0.00 N ATOM 1241 CA SER A 88 3.504 10.549 -8.203 1.00 0.00 C ATOM 1242 C SER A 88 2.674 11.820 -8.361 1.00 0.00 C ATOM 1243 O SER A 88 3.112 12.776 -9.002 1.00 0.00 O ATOM 1244 CB SER A 88 3.209 9.582 -9.353 1.00 0.00 C ATOM 1245 OG SER A 88 3.730 10.062 -10.581 1.00 0.00 O ATOM 0 H SER A 88 2.647 9.080 -6.984 1.00 0.00 H new ATOM 0 HA SER A 88 4.559 10.820 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.641 8.607 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.132 9.440 -9.444 1.00 0.00 H new ATOM 0 HG SER A 88 3.527 9.422 -11.295 1.00 0.00 H new ATOM 1251 N ARG A 89 1.481 11.846 -7.768 1.00 0.00 N ATOM 1252 CA ARG A 89 0.614 13.012 -7.900 1.00 0.00 C ATOM 1253 C ARG A 89 1.055 14.149 -6.978 1.00 0.00 C ATOM 1254 O ARG A 89 0.625 15.287 -7.164 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.869 12.672 -7.653 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.205 12.244 -6.232 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.706 12.212 -5.996 1.00 0.00 C ATOM 1258 NE ARG A 89 -3.292 13.551 -6.022 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.560 13.809 -6.340 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -5.394 12.823 -6.642 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.994 15.059 -6.337 1.00 0.00 N ATOM 0 H ARG A 89 1.100 11.088 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 89 0.710 13.346 -8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.473 13.544 -7.906 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.161 11.874 -8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.785 11.257 -6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.740 12.931 -5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.180 11.594 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.912 11.745 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.691 14.339 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.067 11.857 -6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.363 13.031 -6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.359 15.819 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.964 15.263 -6.580 1.00 0.00 H new ATOM 1275 N GLY A 90 1.902 13.859 -5.987 1.00 0.00 N ATOM 1276 CA GLY A 90 2.383 14.933 -5.124 1.00 0.00 C ATOM 1277 C GLY A 90 3.687 14.637 -4.393 1.00 0.00 C ATOM 1278 O GLY A 90 3.799 14.906 -3.201 1.00 0.00 O ATOM 0 H GLY A 90 2.256 12.927 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.518 15.831 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.613 15.158 -4.386 1.00 0.00 H new ATOM 1282 N ARG A 91 4.671 14.085 -5.092 1.00 0.00 N ATOM 1283 CA ARG A 91 6.004 13.883 -4.520 1.00 0.00 C ATOM 1284 C ARG A 91 7.026 13.700 -5.630 1.00 0.00 C ATOM 1285 O ARG A 91 8.067 14.358 -5.646 1.00 0.00 O ATOM 1286 CB ARG A 91 6.016 12.669 -3.582 1.00 0.00 C ATOM 1287 CG ARG A 91 7.395 12.254 -3.069 1.00 0.00 C ATOM 1288 CD ARG A 91 7.965 13.239 -2.059 1.00 0.00 C ATOM 1289 NE ARG A 91 8.783 14.275 -2.687 1.00 0.00 N ATOM 1290 CZ ARG A 91 9.529 15.143 -2.002 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.512 15.146 -0.668 1.00 0.00 N ATOM 1292 NH2 ARG A 91 10.298 16.006 -2.653 1.00 0.00 N ATOM 0 H ARG A 91 4.575 13.768 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 91 6.267 14.767 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.378 12.886 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.571 11.822 -4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.326 11.268 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.081 12.166 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.147 13.708 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.567 12.698 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 91 8.783 14.338 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.925 14.481 -0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.086 15.813 -0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.317 16.004 -3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.870 16.672 -2.134 1.00 0.00 H new ATOM 1306 N GLY A 92 6.722 12.799 -6.550 1.00 0.00 N ATOM 1307 CA GLY A 92 7.569 12.601 -7.706 1.00 0.00 C ATOM 1308 C GLY A 92 7.107 13.443 -8.876 1.00 0.00 C ATOM 1309 O GLY A 92 6.402 14.437 -8.688 1.00 0.00 O ATOM 0 H GLY A 92 5.899 12.198 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.598 12.858 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.563 11.548 -7.988 1.00 0.00 H new ATOM 1313 N GLY A 93 7.487 13.048 -10.078 1.00 0.00 N ATOM 1314 CA GLY A 93 7.086 13.781 -11.258 1.00 0.00 C ATOM 1315 C GLY A 93 7.710 13.208 -12.506 1.00 0.00 C ATOM 1316 O GLY A 93 7.090 13.295 -13.586 1.00 0.00 O ATOM 1317 OXT GLY A 93 8.824 12.655 -12.410 1.00 0.00 O ATOM 0 H GLY A 93 8.068 12.230 -10.259 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.000 13.758 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.375 14.827 -11.153 1.00 0.00 H new TER 1321 GLY A 93