USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 586 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 NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 37 SER OG : rot 180:sc= 0.0594 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -160:sc= 0.368 (180deg=0.225) USER MOD Single : A 3 THR OG1 : rot -15:sc= 0.71 USER MOD Single : A 11 SER OG : rot 180:sc= -1.24 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 81:sc= -4.6! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 95:sc= 0.0379 USER MOD Single : A 40 MET CE :methyl 149:sc= -4.79! (180deg=-9.63!) USER MOD Single : A 41 MET CE :methyl -158:sc= -0.0732 (180deg=-0.424) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -4.22! C(o=-4.2!,f=-8.2!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -13.2! C(o=-13!,f=-11!) USER MOD Single : A 66 THR OG1 : rot -17:sc= -0.0694! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 17:sc= -0.7 USER MOD Single : A 78 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-4.5!) USER MOD Single : A 79 GLN : amide:sc= -0.576 K(o=-0.58,f=-0.012) USER MOD Single : A 81 SER OG : rot -26:sc= -2.2! USER MOD Single : A 83 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.5!) USER MOD Single : A 85 SER OG : rot -37:sc= -0.882! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -6.671 27.661 -12.306 1.00 0.00 N ATOM 2 CA THR A 3 -5.919 27.330 -11.103 1.00 0.00 C ATOM 3 C THR A 3 -4.739 26.419 -11.425 1.00 0.00 C ATOM 4 O THR A 3 -3.634 26.891 -11.695 1.00 0.00 O ATOM 5 CB THR A 3 -6.811 26.641 -10.053 1.00 0.00 C ATOM 6 OG1 THR A 3 -7.990 26.117 -10.679 1.00 0.00 O ATOM 7 CG2 THR A 3 -7.207 27.617 -8.955 1.00 0.00 C ATOM 0 HA THR A 3 -5.549 28.270 -10.694 1.00 0.00 H new ATOM 0 HB THR A 3 -6.243 25.825 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.094 26.517 -11.567 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.837 27.108 -8.225 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.311 27.993 -8.462 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.758 28.451 -9.391 1.00 0.00 H new ATOM 15 N ASP A 4 -4.981 25.114 -11.395 1.00 0.00 N ATOM 16 CA ASP A 4 -3.939 24.136 -11.686 1.00 0.00 C ATOM 17 C ASP A 4 -2.618 24.539 -11.038 1.00 0.00 C ATOM 18 O ASP A 4 -1.814 25.255 -11.636 1.00 0.00 O ATOM 19 CB ASP A 4 -3.754 23.988 -13.197 1.00 0.00 C ATOM 20 CG ASP A 4 -2.451 23.303 -13.557 1.00 0.00 C ATOM 21 OD1 ASP A 4 -1.826 22.704 -12.658 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.055 23.365 -14.741 1.00 0.00 O ATOM 0 H ASP A 4 -5.890 24.708 -11.172 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.250 23.178 -11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.587 23.417 -13.608 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.783 24.973 -13.662 1.00 0.00 H new ATOM 27 N ILE A 5 -2.401 24.077 -9.812 1.00 0.00 N ATOM 28 CA ILE A 5 -1.178 24.388 -9.083 1.00 0.00 C ATOM 29 C ILE A 5 -0.096 23.343 -9.361 1.00 0.00 C ATOM 30 O ILE A 5 -0.209 22.559 -10.303 1.00 0.00 O ATOM 31 CB ILE A 5 -1.455 24.504 -7.560 1.00 0.00 C ATOM 32 CG1 ILE A 5 -0.714 25.709 -6.979 1.00 0.00 C ATOM 33 CG2 ILE A 5 -1.078 23.228 -6.813 1.00 0.00 C ATOM 34 CD1 ILE A 5 -0.938 26.984 -7.761 1.00 0.00 C ATOM 0 H ILE A 5 -3.057 23.485 -9.302 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.814 25.353 -9.434 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.527 24.649 -7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.035 25.862 -5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.354 25.491 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.288 23.353 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.660 22.393 -7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.016 23.026 -6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.384 27.799 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.591 26.848 -8.785 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.001 27.225 -7.767 1.00 0.00 H new ATOM 46 N ASP A 6 0.950 23.337 -8.541 1.00 0.00 N ATOM 47 CA ASP A 6 2.044 22.386 -8.709 1.00 0.00 C ATOM 48 C ASP A 6 1.757 21.084 -7.972 1.00 0.00 C ATOM 49 O ASP A 6 1.873 19.998 -8.539 1.00 0.00 O ATOM 50 CB ASP A 6 3.356 22.990 -8.204 1.00 0.00 C ATOM 51 CG ASP A 6 4.510 22.010 -8.284 1.00 0.00 C ATOM 52 OD1 ASP A 6 4.315 20.832 -7.916 1.00 0.00 O ATOM 53 OD2 ASP A 6 5.609 22.419 -8.713 1.00 0.00 O ATOM 0 H ASP A 6 1.064 23.978 -7.756 1.00 0.00 H new ATOM 0 HA ASP A 6 2.136 22.166 -9.773 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.594 23.877 -8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.230 23.315 -7.171 1.00 0.00 H new ATOM 58 N GLU A 7 1.383 21.204 -6.705 1.00 0.00 N ATOM 59 CA GLU A 7 1.079 20.043 -5.877 1.00 0.00 C ATOM 60 C GLU A 7 2.355 19.298 -5.497 1.00 0.00 C ATOM 61 O GLU A 7 2.632 19.086 -4.317 1.00 0.00 O ATOM 62 CB GLU A 7 0.122 19.103 -6.610 1.00 0.00 C ATOM 63 CG GLU A 7 -1.151 19.783 -7.094 1.00 0.00 C ATOM 64 CD GLU A 7 -1.086 20.164 -8.561 1.00 0.00 C ATOM 65 OE1 GLU A 7 -0.289 19.548 -9.299 1.00 0.00 O ATOM 66 OE2 GLU A 7 -1.833 21.077 -8.971 1.00 0.00 O ATOM 0 H GLU A 7 1.282 22.099 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 7 0.600 20.394 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.639 18.667 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.145 18.281 -5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.999 19.117 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.330 20.677 -6.497 1.00 0.00 H new ATOM 73 N CYS A 8 3.131 18.906 -6.503 1.00 0.00 N ATOM 74 CA CYS A 8 4.378 18.189 -6.268 1.00 0.00 C ATOM 75 C CYS A 8 5.362 19.059 -5.496 1.00 0.00 C ATOM 76 O CYS A 8 6.252 18.552 -4.814 1.00 0.00 O ATOM 77 CB CYS A 8 4.994 17.749 -7.597 1.00 0.00 C ATOM 78 SG CYS A 8 4.015 16.497 -8.485 1.00 0.00 S ATOM 0 H CYS A 8 2.918 19.073 -7.487 1.00 0.00 H new ATOM 0 HA CYS A 8 4.158 17.304 -5.671 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.115 18.623 -8.237 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.991 17.351 -7.410 1.00 0.00 H new ATOM 83 N ARG A 9 5.190 20.372 -5.602 1.00 0.00 N ATOM 84 CA ARG A 9 6.060 21.311 -4.907 1.00 0.00 C ATOM 85 C ARG A 9 5.793 21.277 -3.408 1.00 0.00 C ATOM 86 O ARG A 9 6.703 21.465 -2.600 1.00 0.00 O ATOM 87 CB ARG A 9 5.853 22.729 -5.444 1.00 0.00 C ATOM 88 CG ARG A 9 7.054 23.276 -6.199 1.00 0.00 C ATOM 89 CD ARG A 9 7.543 24.582 -5.593 1.00 0.00 C ATOM 90 NE ARG A 9 8.147 25.457 -6.595 1.00 0.00 N ATOM 91 CZ ARG A 9 7.445 26.158 -7.478 1.00 0.00 C ATOM 92 NH1 ARG A 9 6.121 26.086 -7.484 1.00 0.00 N ATOM 93 NH2 ARG A 9 8.066 26.932 -8.358 1.00 0.00 N ATOM 0 H ARG A 9 4.457 20.809 -6.162 1.00 0.00 H new ATOM 0 HA ARG A 9 7.094 21.015 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.986 22.735 -6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.624 23.394 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.860 22.542 -6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.787 23.435 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.708 25.097 -5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.272 24.369 -4.811 1.00 0.00 H new ATOM 0 HE ARG A 9 9.164 25.534 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.640 25.491 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.584 26.625 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.084 26.990 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.525 27.470 -9.035 1.00 0.00 H new ATOM 107 N ILE A 10 4.540 21.024 -3.041 1.00 0.00 N ATOM 108 CA ILE A 10 4.158 20.953 -1.639 1.00 0.00 C ATOM 109 C ILE A 10 5.186 20.153 -0.852 1.00 0.00 C ATOM 110 O ILE A 10 5.521 20.490 0.283 1.00 0.00 O ATOM 111 CB ILE A 10 2.772 20.299 -1.472 1.00 0.00 C ATOM 112 CG1 ILE A 10 1.676 21.258 -1.939 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.544 19.880 -0.026 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.409 22.388 -0.969 1.00 0.00 C ATOM 0 H ILE A 10 3.774 20.865 -3.696 1.00 0.00 H new ATOM 0 HA ILE A 10 4.114 21.973 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 10 2.734 19.403 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.959 21.678 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.754 20.697 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.560 19.421 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.309 19.162 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.599 20.756 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.621 23.028 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.095 21.977 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.318 22.974 -0.833 1.00 0.00 H new ATOM 126 N SER A 11 5.677 19.088 -1.470 1.00 0.00 N ATOM 127 CA SER A 11 6.664 18.228 -0.839 1.00 0.00 C ATOM 128 C SER A 11 7.356 17.350 -1.876 1.00 0.00 C ATOM 129 O SER A 11 6.784 17.039 -2.921 1.00 0.00 O ATOM 130 CB SER A 11 5.993 17.354 0.218 1.00 0.00 C ATOM 131 OG SER A 11 6.938 16.524 0.873 1.00 0.00 O ATOM 0 H SER A 11 5.406 18.800 -2.410 1.00 0.00 H new ATOM 0 HA SER A 11 7.416 18.857 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.491 17.986 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.226 16.737 -0.250 1.00 0.00 H new ATOM 0 HG SER A 11 6.482 15.976 1.546 1.00 0.00 H new ATOM 137 N PRO A 12 8.598 16.933 -1.595 1.00 0.00 N ATOM 138 CA PRO A 12 9.373 16.085 -2.486 1.00 0.00 C ATOM 139 C PRO A 12 9.052 14.616 -2.260 1.00 0.00 C ATOM 140 O PRO A 12 9.305 13.769 -3.118 1.00 0.00 O ATOM 141 CB PRO A 12 10.827 16.378 -2.091 1.00 0.00 C ATOM 142 CG PRO A 12 10.767 17.274 -0.886 1.00 0.00 C ATOM 143 CD PRO A 12 9.350 17.239 -0.384 1.00 0.00 C ATOM 0 HA PRO A 12 9.163 16.283 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.361 15.455 -1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.362 16.862 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.458 16.931 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.059 18.291 -1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.210 16.479 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.049 18.192 0.051 1.00 0.00 H new ATOM 151 N ASP A 13 8.484 14.329 -1.096 1.00 0.00 N ATOM 152 CA ASP A 13 8.110 12.971 -0.734 1.00 0.00 C ATOM 153 C ASP A 13 6.595 12.849 -0.667 1.00 0.00 C ATOM 154 O ASP A 13 6.058 12.020 0.064 1.00 0.00 O ATOM 155 CB ASP A 13 8.730 12.584 0.609 1.00 0.00 C ATOM 156 CG ASP A 13 9.521 11.293 0.531 1.00 0.00 C ATOM 157 OD1 ASP A 13 9.074 10.365 -0.176 1.00 0.00 O ATOM 158 OD2 ASP A 13 10.587 11.209 1.176 1.00 0.00 O ATOM 0 H ASP A 13 8.271 15.026 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 13 8.488 12.291 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.384 13.387 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.941 12.479 1.353 1.00 0.00 H new ATOM 163 N LEU A 14 5.916 13.696 -1.431 1.00 0.00 N ATOM 164 CA LEU A 14 4.457 13.701 -1.465 1.00 0.00 C ATOM 165 C LEU A 14 3.895 12.282 -1.482 1.00 0.00 C ATOM 166 O LEU A 14 2.978 11.959 -0.727 1.00 0.00 O ATOM 167 CB LEU A 14 3.962 14.470 -2.692 1.00 0.00 C ATOM 168 CG LEU A 14 3.056 15.666 -2.390 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.475 16.871 -3.216 1.00 0.00 C ATOM 170 CD2 LEU A 14 1.601 15.315 -2.660 1.00 0.00 C ATOM 0 H LEU A 14 6.353 14.390 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 14 4.104 14.195 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.827 14.823 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.422 13.780 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 14 3.158 15.918 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.821 17.713 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.504 17.137 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.401 16.629 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.972 16.177 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.482 15.037 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.305 14.479 -2.027 1.00 0.00 H new ATOM 182 N CYS A 15 4.443 11.441 -2.353 1.00 0.00 N ATOM 183 CA CYS A 15 3.990 10.058 -2.476 1.00 0.00 C ATOM 184 C CYS A 15 4.645 9.162 -1.428 1.00 0.00 C ATOM 185 O CYS A 15 4.543 7.938 -1.492 1.00 0.00 O ATOM 186 CB CYS A 15 4.294 9.526 -3.877 1.00 0.00 C ATOM 187 SG CYS A 15 4.347 10.814 -5.165 1.00 0.00 S ATOM 0 H CYS A 15 5.203 11.693 -2.985 1.00 0.00 H new ATOM 0 HA CYS A 15 2.913 10.044 -2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.252 9.007 -3.857 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.538 8.789 -4.146 1.00 0.00 H new ATOM 192 N GLY A 16 5.311 9.781 -0.462 1.00 0.00 N ATOM 193 CA GLY A 16 5.968 9.030 0.592 1.00 0.00 C ATOM 194 C GLY A 16 7.043 8.091 0.075 1.00 0.00 C ATOM 195 O GLY A 16 7.558 7.263 0.826 1.00 0.00 O ATOM 0 H GLY A 16 5.409 10.794 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.414 9.727 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.222 8.453 1.138 1.00 0.00 H new ATOM 199 N ARG A 17 7.385 8.219 -1.205 1.00 0.00 N ATOM 200 CA ARG A 17 8.408 7.374 -1.817 1.00 0.00 C ATOM 201 C ARG A 17 8.303 7.409 -3.338 1.00 0.00 C ATOM 202 O ARG A 17 9.312 7.384 -4.041 1.00 0.00 O ATOM 203 CB ARG A 17 8.276 5.929 -1.322 1.00 0.00 C ATOM 204 CG ARG A 17 9.082 4.925 -2.132 1.00 0.00 C ATOM 205 CD ARG A 17 10.313 4.459 -1.371 1.00 0.00 C ATOM 206 NE ARG A 17 10.583 3.041 -1.583 1.00 0.00 N ATOM 207 CZ ARG A 17 11.662 2.419 -1.120 1.00 0.00 C ATOM 208 NH1 ARG A 17 12.568 3.091 -0.421 1.00 0.00 N ATOM 209 NH2 ARG A 17 11.838 1.126 -1.355 1.00 0.00 N ATOM 0 H ARG A 17 6.968 8.901 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 17 9.383 7.763 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.595 5.881 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.225 5.641 -1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.457 4.066 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.386 5.377 -3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.177 5.044 -1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.173 4.646 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 17 9.905 2.497 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.436 4.086 -0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.396 2.613 -0.066 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.144 0.606 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.667 0.651 -0.998 1.00 0.00 H new ATOM 223 N GLY A 18 7.073 7.461 -3.836 1.00 0.00 N ATOM 224 CA GLY A 18 6.853 7.490 -5.269 1.00 0.00 C ATOM 225 C GLY A 18 7.317 8.782 -5.908 1.00 0.00 C ATOM 226 O GLY A 18 8.216 9.451 -5.399 1.00 0.00 O ATOM 0 H GLY A 18 6.224 7.484 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.378 6.653 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.791 7.351 -5.472 1.00 0.00 H new ATOM 230 N GLN A 19 6.699 9.130 -7.031 1.00 0.00 N ATOM 231 CA GLN A 19 7.047 10.346 -7.754 1.00 0.00 C ATOM 232 C GLN A 19 5.793 11.134 -8.115 1.00 0.00 C ATOM 233 O GLN A 19 5.086 10.796 -9.065 1.00 0.00 O ATOM 234 CB GLN A 19 7.829 9.995 -9.019 1.00 0.00 C ATOM 235 CG GLN A 19 8.770 8.815 -8.838 1.00 0.00 C ATOM 236 CD GLN A 19 10.218 9.179 -9.097 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.825 9.936 -8.338 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.781 8.641 -10.172 1.00 0.00 N ATOM 0 H GLN A 19 5.952 8.585 -7.461 1.00 0.00 H new ATOM 0 HA GLN A 19 7.670 10.966 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.126 9.770 -9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.405 10.865 -9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.672 8.429 -7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.475 8.012 -9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.241 8.019 -10.773 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.754 8.850 -10.397 1.00 0.00 H new ATOM 247 N CYS A 20 5.519 12.184 -7.349 1.00 0.00 N ATOM 248 CA CYS A 20 4.346 13.016 -7.585 1.00 0.00 C ATOM 249 C CYS A 20 4.346 13.584 -8.998 1.00 0.00 C ATOM 250 O CYS A 20 5.403 13.822 -9.585 1.00 0.00 O ATOM 251 CB CYS A 20 4.287 14.158 -6.570 1.00 0.00 C ATOM 252 SG CYS A 20 3.094 15.465 -6.998 1.00 0.00 S ATOM 0 H CYS A 20 6.093 12.479 -6.559 1.00 0.00 H new ATOM 0 HA CYS A 20 3.465 12.385 -7.468 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.029 13.750 -5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.279 14.601 -6.478 1.00 0.00 H new ATOM 257 N VAL A 21 3.151 13.809 -9.535 1.00 0.00 N ATOM 258 CA VAL A 21 3.005 14.361 -10.876 1.00 0.00 C ATOM 259 C VAL A 21 2.005 15.510 -10.882 1.00 0.00 C ATOM 260 O VAL A 21 1.114 15.577 -10.035 1.00 0.00 O ATOM 261 CB VAL A 21 2.542 13.291 -11.882 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.215 12.689 -11.447 1.00 0.00 C ATOM 263 CG2 VAL A 21 2.434 13.887 -13.277 1.00 0.00 C ATOM 0 H VAL A 21 2.269 13.617 -9.061 1.00 0.00 H new ATOM 0 HA VAL A 21 3.987 14.727 -11.177 1.00 0.00 H new ATOM 0 HB VAL A 21 3.284 12.493 -11.907 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.903 11.935 -12.170 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.329 12.227 -10.467 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.460 13.473 -11.393 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.106 13.118 -13.977 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.711 14.703 -13.269 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.407 14.267 -13.586 1.00 0.00 H new ATOM 273 N ASN A 22 2.159 16.418 -11.841 1.00 0.00 N ATOM 274 CA ASN A 22 1.270 17.567 -11.953 1.00 0.00 C ATOM 275 C ASN A 22 0.092 17.266 -12.873 1.00 0.00 C ATOM 276 O ASN A 22 0.241 16.586 -13.889 1.00 0.00 O ATOM 277 CB ASN A 22 2.038 18.782 -12.475 1.00 0.00 C ATOM 278 CG ASN A 22 1.314 20.083 -12.195 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.802 20.731 -13.108 1.00 0.00 O ATOM 280 ND2 ASN A 22 1.266 20.470 -10.927 1.00 0.00 N ATOM 0 H ASN A 22 2.891 16.380 -12.551 1.00 0.00 H new ATOM 0 HA ASN A 22 0.881 17.786 -10.959 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.025 18.811 -12.013 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.192 18.678 -13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.790 21.337 -10.676 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.705 19.901 -10.203 1.00 0.00 H new ATOM 287 N THR A 23 -1.080 17.780 -12.513 1.00 0.00 N ATOM 288 CA THR A 23 -2.284 17.572 -13.305 1.00 0.00 C ATOM 289 C THR A 23 -3.215 18.775 -13.208 1.00 0.00 C ATOM 290 O THR A 23 -3.230 19.482 -12.200 1.00 0.00 O ATOM 291 CB THR A 23 -3.045 16.312 -12.853 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.748 16.573 -11.633 1.00 0.00 O ATOM 293 CG2 THR A 23 -2.088 15.146 -12.652 1.00 0.00 C ATOM 0 H THR A 23 -1.220 18.345 -11.675 1.00 0.00 H new ATOM 0 HA THR A 23 -1.965 17.441 -14.339 1.00 0.00 H new ATOM 0 HB THR A 23 -3.759 16.047 -13.633 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.587 17.039 -11.832 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.648 14.267 -12.333 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.576 14.930 -13.590 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.354 15.405 -11.889 1.00 0.00 H new ATOM 301 N PRO A 24 -4.011 19.023 -14.258 1.00 0.00 N ATOM 302 CA PRO A 24 -4.952 20.144 -14.294 1.00 0.00 C ATOM 303 C PRO A 24 -5.829 20.193 -13.049 1.00 0.00 C ATOM 304 O PRO A 24 -6.774 19.418 -12.910 1.00 0.00 O ATOM 305 CB PRO A 24 -5.805 19.873 -15.544 1.00 0.00 C ATOM 306 CG PRO A 24 -5.457 18.486 -15.982 1.00 0.00 C ATOM 307 CD PRO A 24 -4.062 18.231 -15.489 1.00 0.00 C ATOM 0 HA PRO A 24 -4.437 21.104 -14.324 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.868 19.956 -15.318 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.589 20.597 -16.330 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.156 17.760 -15.567 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.510 18.395 -17.067 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.886 17.172 -15.298 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.311 18.554 -16.210 1.00 0.00 H new ATOM 315 N GLY A 25 -5.505 21.109 -12.141 1.00 0.00 N ATOM 316 CA GLY A 25 -6.270 21.238 -10.916 1.00 0.00 C ATOM 317 C GLY A 25 -6.198 19.987 -10.064 1.00 0.00 C ATOM 318 O GLY A 25 -7.196 19.566 -9.479 1.00 0.00 O ATOM 0 H GLY A 25 -4.727 21.763 -12.232 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.897 22.088 -10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.311 21.450 -11.160 1.00 0.00 H new ATOM 322 N ASP A 26 -5.014 19.391 -10.001 1.00 0.00 N ATOM 323 CA ASP A 26 -4.809 18.178 -9.221 1.00 0.00 C ATOM 324 C ASP A 26 -3.370 17.689 -9.345 1.00 0.00 C ATOM 325 O ASP A 26 -2.494 18.415 -9.816 1.00 0.00 O ATOM 326 CB ASP A 26 -5.773 17.084 -9.680 1.00 0.00 C ATOM 327 CG ASP A 26 -6.804 16.741 -8.623 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.426 16.130 -7.601 1.00 0.00 O ATOM 329 OD2 ASP A 26 -7.989 17.083 -8.817 1.00 0.00 O ATOM 0 H ASP A 26 -4.180 19.729 -10.482 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.006 18.410 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.282 17.409 -10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.207 16.188 -9.935 1.00 0.00 H new ATOM 334 N PHE A 27 -3.133 16.453 -8.918 1.00 0.00 N ATOM 335 CA PHE A 27 -1.800 15.867 -8.978 1.00 0.00 C ATOM 336 C PHE A 27 -1.844 14.389 -8.602 1.00 0.00 C ATOM 337 O PHE A 27 -2.559 13.995 -7.681 1.00 0.00 O ATOM 338 CB PHE A 27 -0.854 16.622 -8.042 1.00 0.00 C ATOM 339 CG PHE A 27 -0.876 16.119 -6.626 1.00 0.00 C ATOM 340 CD1 PHE A 27 -1.774 16.638 -5.706 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.002 15.126 -6.217 1.00 0.00 C ATOM 342 CE1 PHE A 27 -1.797 16.178 -4.404 1.00 0.00 C ATOM 343 CE2 PHE A 27 -0.020 14.660 -4.916 1.00 0.00 C ATOM 344 CZ PHE A 27 -0.919 15.188 -4.008 1.00 0.00 C ATOM 0 H PHE A 27 -3.847 15.838 -8.527 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.430 15.950 -10.000 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.162 16.547 -8.429 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.120 17.679 -8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.464 17.411 -6.011 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.702 14.711 -6.923 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.500 16.592 -3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.667 13.885 -4.609 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.935 14.827 -2.990 1.00 0.00 H new ATOM 354 N GLU A 28 -1.076 13.576 -9.317 1.00 0.00 N ATOM 355 CA GLU A 28 -1.032 12.143 -9.054 1.00 0.00 C ATOM 356 C GLU A 28 0.273 11.762 -8.363 1.00 0.00 C ATOM 357 O GLU A 28 0.828 12.544 -7.591 1.00 0.00 O ATOM 358 CB GLU A 28 -1.193 11.349 -10.354 1.00 0.00 C ATOM 359 CG GLU A 28 -1.776 12.150 -11.499 1.00 0.00 C ATOM 360 CD GLU A 28 -2.867 11.401 -12.239 1.00 0.00 C ATOM 361 OE1 GLU A 28 -3.248 10.303 -11.783 1.00 0.00 O ATOM 362 OE2 GLU A 28 -3.339 11.914 -13.275 1.00 0.00 O ATOM 0 H GLU A 28 -0.476 13.884 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.861 11.896 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.219 10.962 -10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.833 10.488 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.180 13.086 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.981 12.410 -12.198 1.00 0.00 H new ATOM 369 N CYS A 29 0.761 10.558 -8.643 1.00 0.00 N ATOM 370 CA CYS A 29 2.003 10.082 -8.044 1.00 0.00 C ATOM 371 C CYS A 29 2.472 8.790 -8.702 1.00 0.00 C ATOM 372 O CYS A 29 1.687 8.075 -9.325 1.00 0.00 O ATOM 373 CB CYS A 29 1.817 9.858 -6.542 1.00 0.00 C ATOM 374 SG CYS A 29 2.392 11.243 -5.505 1.00 0.00 S ATOM 0 H CYS A 29 0.317 9.896 -9.279 1.00 0.00 H new ATOM 0 HA CYS A 29 2.764 10.846 -8.203 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.761 9.681 -6.340 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.352 8.954 -6.251 1.00 0.00 H new ATOM 379 N LYS A 30 3.758 8.497 -8.551 1.00 0.00 N ATOM 380 CA LYS A 30 4.344 7.291 -9.122 1.00 0.00 C ATOM 381 C LYS A 30 4.989 6.441 -8.031 1.00 0.00 C ATOM 382 O LYS A 30 6.214 6.347 -7.946 1.00 0.00 O ATOM 383 CB LYS A 30 5.384 7.656 -10.182 1.00 0.00 C ATOM 384 CG LYS A 30 5.326 6.781 -11.424 1.00 0.00 C ATOM 385 CD LYS A 30 4.932 5.353 -11.085 1.00 0.00 C ATOM 386 CE LYS A 30 3.505 5.052 -11.517 1.00 0.00 C ATOM 387 NZ LYS A 30 3.113 3.650 -11.201 1.00 0.00 N ATOM 0 H LYS A 30 4.417 9.081 -8.036 1.00 0.00 H new ATOM 0 HA LYS A 30 3.548 6.713 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.241 8.696 -10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.379 7.582 -9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.609 7.199 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.298 6.783 -11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.616 4.660 -11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.030 5.192 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.822 5.741 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.406 5.224 -12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.134 3.485 -11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.748 2.992 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.182 3.493 -10.175 1.00 0.00 H new ATOM 401 N CYS A 31 4.157 5.830 -7.194 1.00 0.00 N ATOM 402 CA CYS A 31 4.647 4.995 -6.103 1.00 0.00 C ATOM 403 C CYS A 31 5.678 3.990 -6.603 1.00 0.00 C ATOM 404 O CYS A 31 6.081 4.023 -7.766 1.00 0.00 O ATOM 405 CB CYS A 31 3.485 4.261 -5.428 1.00 0.00 C ATOM 406 SG CYS A 31 2.930 5.009 -3.859 1.00 0.00 S ATOM 0 H CYS A 31 3.141 5.897 -7.250 1.00 0.00 H new ATOM 0 HA CYS A 31 5.128 5.646 -5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.642 4.228 -6.119 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.783 3.230 -5.239 1.00 0.00 H new ATOM 411 N ASP A 32 6.107 3.102 -5.712 1.00 0.00 N ATOM 412 CA ASP A 32 7.099 2.092 -6.057 1.00 0.00 C ATOM 413 C ASP A 32 6.597 0.691 -5.720 1.00 0.00 C ATOM 414 O ASP A 32 5.390 0.462 -5.639 1.00 0.00 O ATOM 415 CB ASP A 32 8.407 2.367 -5.316 1.00 0.00 C ATOM 416 CG ASP A 32 9.611 2.338 -6.237 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.623 3.105 -7.223 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.542 1.549 -5.974 1.00 0.00 O ATOM 0 H ASP A 32 5.783 3.062 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 32 7.274 2.143 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.348 3.341 -4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.538 1.625 -4.528 1.00 0.00 H new ATOM 423 N GLU A 33 7.547 -0.229 -5.527 1.00 0.00 N ATOM 424 CA GLU A 33 7.263 -1.630 -5.195 1.00 0.00 C ATOM 425 C GLU A 33 5.780 -1.967 -5.293 1.00 0.00 C ATOM 426 O GLU A 33 5.341 -2.615 -6.242 1.00 0.00 O ATOM 427 CB GLU A 33 7.777 -1.951 -3.790 1.00 0.00 C ATOM 428 CG GLU A 33 8.795 -0.949 -3.273 1.00 0.00 C ATOM 429 CD GLU A 33 9.658 -1.513 -2.161 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.136 -1.698 -1.041 1.00 0.00 O ATOM 431 OE2 GLU A 33 10.854 -1.773 -2.411 1.00 0.00 O ATOM 0 H GLU A 33 8.543 -0.021 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 33 7.783 -2.244 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.932 -1.986 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.226 -2.944 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.434 -0.628 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.275 -0.063 -2.910 1.00 0.00 H new ATOM 438 N GLY A 34 5.018 -1.524 -4.304 1.00 0.00 N ATOM 439 CA GLY A 34 3.594 -1.785 -4.291 1.00 0.00 C ATOM 440 C GLY A 34 2.840 -0.792 -3.433 1.00 0.00 C ATOM 441 O GLY A 34 1.802 -1.117 -2.864 1.00 0.00 O ATOM 0 H GLY A 34 5.362 -0.987 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.210 -1.747 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.414 -2.794 -3.920 1.00 0.00 H new ATOM 445 N TYR A 35 3.368 0.423 -3.338 1.00 0.00 N ATOM 446 CA TYR A 35 2.738 1.468 -2.542 1.00 0.00 C ATOM 447 C TYR A 35 1.571 2.097 -3.297 1.00 0.00 C ATOM 448 O TYR A 35 1.565 2.139 -4.527 1.00 0.00 O ATOM 449 CB TYR A 35 3.758 2.546 -2.177 1.00 0.00 C ATOM 450 CG TYR A 35 4.913 2.038 -1.342 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.712 1.085 -0.353 1.00 0.00 C ATOM 452 CD2 TYR A 35 6.203 2.513 -1.545 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.764 0.618 0.412 1.00 0.00 C ATOM 454 CE2 TYR A 35 7.260 2.052 -0.784 1.00 0.00 C ATOM 455 CZ TYR A 35 7.036 1.105 0.192 1.00 0.00 C ATOM 456 OH TYR A 35 8.086 0.643 0.952 1.00 0.00 O ATOM 0 H TYR A 35 4.230 0.708 -3.802 1.00 0.00 H new ATOM 0 HA TYR A 35 2.357 1.012 -1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.151 2.986 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.251 3.343 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.717 0.702 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.382 3.254 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.591 -0.124 1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.257 2.432 -0.953 1.00 0.00 H new ATOM 0 HH TYR A 35 8.540 -0.083 0.476 1.00 0.00 H new ATOM 466 N GLU A 36 0.587 2.587 -2.552 1.00 0.00 N ATOM 467 CA GLU A 36 -0.584 3.218 -3.147 1.00 0.00 C ATOM 468 C GLU A 36 -0.605 4.713 -2.841 1.00 0.00 C ATOM 469 O GLU A 36 -0.489 5.121 -1.685 1.00 0.00 O ATOM 470 CB GLU A 36 -1.867 2.546 -2.639 1.00 0.00 C ATOM 471 CG GLU A 36 -2.523 3.265 -1.469 1.00 0.00 C ATOM 472 CD GLU A 36 -3.895 2.711 -1.140 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.971 1.565 -0.648 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.894 3.422 -1.376 1.00 0.00 O ATOM 0 H GLU A 36 0.577 2.559 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.531 3.093 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.581 2.484 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.635 1.524 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.882 3.183 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.610 4.326 -1.702 1.00 0.00 H new ATOM 481 N SER A 37 -0.754 5.523 -3.882 1.00 0.00 N ATOM 482 CA SER A 37 -0.790 6.969 -3.726 1.00 0.00 C ATOM 483 C SER A 37 -2.188 7.443 -3.346 1.00 0.00 C ATOM 484 O SER A 37 -3.027 7.692 -4.213 1.00 0.00 O ATOM 485 CB SER A 37 -0.341 7.654 -5.017 1.00 0.00 C ATOM 486 OG SER A 37 -0.598 6.835 -6.146 1.00 0.00 O ATOM 0 H SER A 37 -0.852 5.201 -4.845 1.00 0.00 H new ATOM 0 HA SER A 37 -0.105 7.238 -2.922 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.862 8.605 -5.128 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.724 7.878 -4.962 1.00 0.00 H new ATOM 0 HG SER A 37 -0.303 7.297 -6.959 1.00 0.00 H new ATOM 492 N GLY A 38 -2.435 7.563 -2.047 1.00 0.00 N ATOM 493 CA GLY A 38 -3.732 8.008 -1.579 1.00 0.00 C ATOM 494 C GLY A 38 -4.472 6.934 -0.812 1.00 0.00 C ATOM 495 O GLY A 38 -5.593 6.567 -1.165 1.00 0.00 O ATOM 0 H GLY A 38 -1.760 7.360 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.604 8.882 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.334 8.321 -2.432 1.00 0.00 H new ATOM 499 N PHE A 39 -3.843 6.432 0.240 1.00 0.00 N ATOM 500 CA PHE A 39 -4.445 5.394 1.065 1.00 0.00 C ATOM 501 C PHE A 39 -5.500 5.985 1.994 1.00 0.00 C ATOM 502 O PHE A 39 -6.421 5.291 2.426 1.00 0.00 O ATOM 503 CB PHE A 39 -3.371 4.674 1.881 1.00 0.00 C ATOM 504 CG PHE A 39 -3.921 3.630 2.810 1.00 0.00 C ATOM 505 CD1 PHE A 39 -4.579 2.516 2.311 1.00 0.00 C ATOM 506 CD2 PHE A 39 -3.781 3.761 4.182 1.00 0.00 C ATOM 507 CE1 PHE A 39 -5.087 1.555 3.164 1.00 0.00 C ATOM 508 CE2 PHE A 39 -4.286 2.802 5.040 1.00 0.00 C ATOM 509 CZ PHE A 39 -4.940 1.698 4.529 1.00 0.00 C ATOM 0 H PHE A 39 -2.915 6.727 0.543 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.930 4.674 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.662 4.204 1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.815 5.409 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.696 2.398 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.271 4.623 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.599 0.693 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.169 2.916 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.336 0.947 5.197 1.00 0.00 H new ATOM 519 N MET A 40 -5.360 7.272 2.295 1.00 0.00 N ATOM 520 CA MET A 40 -6.301 7.962 3.170 1.00 0.00 C ATOM 521 C MET A 40 -5.669 9.207 3.780 1.00 0.00 C ATOM 522 O MET A 40 -6.367 10.151 4.154 1.00 0.00 O ATOM 523 CB MET A 40 -6.774 7.028 4.284 1.00 0.00 C ATOM 524 CG MET A 40 -5.691 6.093 4.796 1.00 0.00 C ATOM 525 SD MET A 40 -5.331 6.340 6.546 1.00 0.00 S ATOM 526 CE MET A 40 -3.586 5.939 6.592 1.00 0.00 C ATOM 0 H MET A 40 -4.603 7.859 1.945 1.00 0.00 H new ATOM 0 HA MET A 40 -7.156 8.266 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.147 7.627 5.115 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.611 6.434 3.918 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.002 5.061 4.635 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.781 6.246 4.217 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.098 6.525 7.371 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.462 4.877 6.805 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.134 6.171 5.628 1.00 0.00 H new ATOM 536 N MET A 41 -4.345 9.204 3.878 1.00 0.00 N ATOM 537 CA MET A 41 -3.618 10.334 4.445 1.00 0.00 C ATOM 538 C MET A 41 -3.621 11.519 3.485 1.00 0.00 C ATOM 539 O MET A 41 -3.640 12.674 3.908 1.00 0.00 O ATOM 540 CB MET A 41 -2.180 9.931 4.770 1.00 0.00 C ATOM 541 CG MET A 41 -2.077 8.673 5.615 1.00 0.00 C ATOM 542 SD MET A 41 -2.243 9.005 7.379 1.00 0.00 S ATOM 543 CE MET A 41 -0.689 9.831 7.714 1.00 0.00 C ATOM 0 H MET A 41 -3.753 8.432 3.572 1.00 0.00 H new ATOM 0 HA MET A 41 -4.121 10.633 5.365 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.635 9.778 3.838 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.691 10.752 5.295 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.850 7.969 5.307 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.117 8.193 5.429 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.458 9.754 8.776 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.105 9.361 7.134 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.768 10.882 7.435 1.00 0.00 H new ATOM 553 N MET A 42 -3.600 11.223 2.191 1.00 0.00 N ATOM 554 CA MET A 42 -3.600 12.260 1.168 1.00 0.00 C ATOM 555 C MET A 42 -3.230 11.675 -0.186 1.00 0.00 C ATOM 556 O MET A 42 -4.034 11.677 -1.118 1.00 0.00 O ATOM 557 CB MET A 42 -2.621 13.376 1.542 1.00 0.00 C ATOM 558 CG MET A 42 -1.322 12.867 2.144 1.00 0.00 C ATOM 559 SD MET A 42 -0.679 13.955 3.429 1.00 0.00 S ATOM 560 CE MET A 42 -0.227 15.393 2.462 1.00 0.00 C ATOM 0 H MET A 42 -3.583 10.271 1.825 1.00 0.00 H new ATOM 0 HA MET A 42 -4.605 12.678 1.104 1.00 0.00 H new ATOM 0 HB2 MET A 42 -2.394 13.963 0.652 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.103 14.048 2.252 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.485 11.874 2.562 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.577 12.763 1.355 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.188 16.157 3.119 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.517 15.111 1.717 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.111 15.787 1.960 1.00 0.00 H new ATOM 570 N LYS A 43 -2.009 11.168 -0.284 1.00 0.00 N ATOM 571 CA LYS A 43 -1.529 10.571 -1.522 1.00 0.00 C ATOM 572 C LYS A 43 -0.125 9.997 -1.357 1.00 0.00 C ATOM 573 O LYS A 43 0.650 9.948 -2.313 1.00 0.00 O ATOM 574 CB LYS A 43 -1.541 11.602 -2.649 1.00 0.00 C ATOM 575 CG LYS A 43 -1.297 10.996 -4.019 1.00 0.00 C ATOM 576 CD LYS A 43 -2.603 10.665 -4.723 1.00 0.00 C ATOM 577 CE LYS A 43 -2.384 10.388 -6.201 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.334 9.364 -6.720 1.00 0.00 N ATOM 0 H LYS A 43 -1.333 11.158 0.479 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.202 9.752 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.503 12.115 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.778 12.355 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.720 11.692 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.698 10.091 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.061 9.795 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.301 11.494 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.503 11.313 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.361 10.047 -6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.958 8.956 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.453 8.611 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.254 9.809 -6.910 1.00 0.00 H new ATOM 592 N ASN A 44 0.200 9.557 -0.145 1.00 0.00 N ATOM 593 CA ASN A 44 1.508 8.982 0.129 1.00 0.00 C ATOM 594 C ASN A 44 1.586 7.557 -0.407 1.00 0.00 C ATOM 595 O ASN A 44 0.620 7.046 -0.973 1.00 0.00 O ATOM 596 CB ASN A 44 1.808 8.995 1.631 1.00 0.00 C ATOM 597 CG ASN A 44 0.572 8.768 2.480 1.00 0.00 C ATOM 598 OD1 ASN A 44 0.393 9.409 3.515 1.00 0.00 O ATOM 599 ND2 ASN A 44 -0.287 7.853 2.048 1.00 0.00 N ATOM 0 H ASN A 44 -0.425 9.589 0.660 1.00 0.00 H new ATOM 0 HA ASN A 44 2.257 9.592 -0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.544 8.224 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.256 9.952 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.135 7.658 2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.099 7.345 1.184 1.00 0.00 H new ATOM 606 N CYS A 45 2.737 6.919 -0.230 1.00 0.00 N ATOM 607 CA CYS A 45 2.925 5.553 -0.701 1.00 0.00 C ATOM 608 C CYS A 45 2.579 4.547 0.391 1.00 0.00 C ATOM 609 O CYS A 45 3.325 4.379 1.355 1.00 0.00 O ATOM 610 CB CYS A 45 4.368 5.341 -1.170 1.00 0.00 C ATOM 611 SG CYS A 45 4.645 5.621 -2.954 1.00 0.00 S ATOM 0 H CYS A 45 3.550 7.324 0.234 1.00 0.00 H new ATOM 0 HA CYS A 45 2.252 5.393 -1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.020 6.009 -0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.668 4.322 -0.926 1.00 0.00 H new ATOM 616 N MET A 46 1.438 3.883 0.231 1.00 0.00 N ATOM 617 CA MET A 46 0.986 2.895 1.201 1.00 0.00 C ATOM 618 C MET A 46 0.740 1.545 0.534 1.00 0.00 C ATOM 619 O MET A 46 -0.292 1.343 -0.109 1.00 0.00 O ATOM 620 CB MET A 46 -0.292 3.380 1.890 1.00 0.00 C ATOM 621 CG MET A 46 -0.039 4.123 3.191 1.00 0.00 C ATOM 622 SD MET A 46 1.033 3.208 4.316 1.00 0.00 S ATOM 623 CE MET A 46 0.810 4.140 5.829 1.00 0.00 C ATOM 0 H MET A 46 0.810 4.012 -0.562 1.00 0.00 H new ATOM 0 HA MET A 46 1.770 2.769 1.948 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.836 4.034 1.208 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.934 2.522 2.090 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.413 5.090 2.971 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.991 4.321 3.683 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.411 3.696 6.622 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.124 5.172 5.670 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.241 4.121 6.117 1.00 0.00 H new ATOM 633 N ASP A 47 1.702 0.637 0.691 1.00 0.00 N ATOM 634 CA ASP A 47 1.630 -0.705 0.115 1.00 0.00 C ATOM 635 C ASP A 47 0.194 -1.118 -0.193 1.00 0.00 C ATOM 636 O ASP A 47 -0.559 -1.513 0.698 1.00 0.00 O ATOM 637 CB ASP A 47 2.268 -1.720 1.063 1.00 0.00 C ATOM 638 CG ASP A 47 1.408 -1.997 2.281 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.434 -1.180 3.225 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.708 -3.032 2.289 1.00 0.00 O ATOM 0 H ASP A 47 2.555 0.812 1.222 1.00 0.00 H new ATOM 0 HA ASP A 47 2.180 -0.685 -0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.444 -2.653 0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.241 -1.349 1.386 1.00 0.00 H new ATOM 645 N ILE A 48 -0.166 -1.028 -1.466 1.00 0.00 N ATOM 646 CA ILE A 48 -1.498 -1.393 -1.924 1.00 0.00 C ATOM 647 C ILE A 48 -1.913 -2.755 -1.376 1.00 0.00 C ATOM 648 O ILE A 48 -1.202 -3.353 -0.570 1.00 0.00 O ATOM 649 CB ILE A 48 -1.546 -1.447 -3.460 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.277 -2.115 -3.994 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.703 -0.049 -4.039 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.539 -3.119 -5.096 1.00 0.00 C ATOM 0 H ILE A 48 0.454 -0.701 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.187 -0.631 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.409 -2.037 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.399 -1.346 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.234 -2.616 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.735 -0.107 -5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.628 0.395 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.858 0.568 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.405 -3.552 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.190 -3.909 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.022 -2.620 -5.936 1.00 0.00 H new ATOM 664 N ASP A 49 -3.061 -3.245 -1.831 1.00 0.00 N ATOM 665 CA ASP A 49 -3.558 -4.542 -1.393 1.00 0.00 C ATOM 666 C ASP A 49 -3.142 -5.633 -2.372 1.00 0.00 C ATOM 667 O ASP A 49 -3.967 -6.158 -3.117 1.00 0.00 O ATOM 668 CB ASP A 49 -5.081 -4.519 -1.260 1.00 0.00 C ATOM 669 CG ASP A 49 -5.631 -5.844 -0.768 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.903 -6.856 -0.852 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.788 -5.869 -0.297 1.00 0.00 O ATOM 0 H ASP A 49 -3.662 -2.765 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.123 -4.758 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.372 -3.727 -0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.525 -4.279 -2.226 1.00 0.00 H new ATOM 676 N GLU A 50 -1.856 -5.963 -2.370 1.00 0.00 N ATOM 677 CA GLU A 50 -1.326 -6.986 -3.257 1.00 0.00 C ATOM 678 C GLU A 50 -2.179 -8.250 -3.216 1.00 0.00 C ATOM 679 O GLU A 50 -2.193 -9.028 -4.168 1.00 0.00 O ATOM 680 CB GLU A 50 0.111 -7.319 -2.869 1.00 0.00 C ATOM 681 CG GLU A 50 1.126 -6.291 -3.340 1.00 0.00 C ATOM 682 CD GLU A 50 1.728 -5.500 -2.195 1.00 0.00 C ATOM 683 OE1 GLU A 50 2.332 -6.123 -1.296 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.595 -4.258 -2.197 1.00 0.00 O ATOM 0 H GLU A 50 -1.160 -5.534 -1.760 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.347 -6.594 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.174 -7.408 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.374 -8.292 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.923 -6.796 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.646 -5.605 -4.038 1.00 0.00 H new ATOM 691 N CYS A 51 -2.887 -8.452 -2.111 1.00 0.00 N ATOM 692 CA CYS A 51 -3.737 -9.631 -1.957 1.00 0.00 C ATOM 693 C CYS A 51 -5.031 -9.476 -2.748 1.00 0.00 C ATOM 694 O CYS A 51 -5.804 -10.423 -2.885 1.00 0.00 O ATOM 695 CB CYS A 51 -4.054 -9.874 -0.480 1.00 0.00 C ATOM 696 SG CYS A 51 -5.315 -11.159 -0.196 1.00 0.00 S ATOM 0 H CYS A 51 -2.891 -7.819 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.193 -10.491 -2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.137 -10.159 0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.394 -8.940 -0.033 1.00 0.00 H new ATOM 701 N GLN A 52 -5.256 -8.276 -3.269 1.00 0.00 N ATOM 702 CA GLN A 52 -6.450 -7.990 -4.049 1.00 0.00 C ATOM 703 C GLN A 52 -6.083 -7.635 -5.485 1.00 0.00 C ATOM 704 O GLN A 52 -6.905 -7.739 -6.395 1.00 0.00 O ATOM 705 CB GLN A 52 -7.226 -6.839 -3.410 1.00 0.00 C ATOM 706 CG GLN A 52 -8.272 -7.298 -2.409 1.00 0.00 C ATOM 707 CD GLN A 52 -9.489 -6.395 -2.382 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.626 -6.867 -2.384 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.257 -5.088 -2.355 1.00 0.00 N ATOM 0 H GLN A 52 -4.623 -7.483 -3.164 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.076 -8.882 -4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.524 -6.171 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.714 -6.260 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.583 -8.314 -2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.827 -7.332 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.298 -4.740 -2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.038 -4.432 -2.335 1.00 0.00 H new ATOM 718 N ARG A 53 -4.837 -7.218 -5.675 1.00 0.00 N ATOM 719 CA ARG A 53 -4.344 -6.846 -6.995 1.00 0.00 C ATOM 720 C ARG A 53 -4.464 -8.010 -7.973 1.00 0.00 C ATOM 721 O ARG A 53 -4.697 -7.810 -9.165 1.00 0.00 O ATOM 722 CB ARG A 53 -2.886 -6.392 -6.901 1.00 0.00 C ATOM 723 CG ARG A 53 -2.225 -6.182 -8.251 1.00 0.00 C ATOM 724 CD ARG A 53 -0.817 -6.750 -8.269 1.00 0.00 C ATOM 725 NE ARG A 53 -0.142 -6.507 -9.541 1.00 0.00 N ATOM 726 CZ ARG A 53 -0.267 -7.295 -10.604 1.00 0.00 C ATOM 727 NH1 ARG A 53 -1.035 -8.375 -10.545 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.378 -7.006 -11.726 1.00 0.00 N ATOM 0 H ARG A 53 -4.148 -7.129 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.955 -6.023 -7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.840 -5.462 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.319 -7.135 -6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.822 -6.658 -9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.193 -5.117 -8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.237 -6.305 -7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.857 -7.823 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 53 0.459 -5.687 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.531 -8.602 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.130 -8.979 -11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.971 -6.178 -11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.281 -7.612 -12.541 1.00 0.00 H new ATOM 742 N ASP A 54 -4.303 -9.226 -7.462 1.00 0.00 N ATOM 743 CA ASP A 54 -4.393 -10.421 -8.288 1.00 0.00 C ATOM 744 C ASP A 54 -5.572 -11.288 -7.862 1.00 0.00 C ATOM 745 O ASP A 54 -5.854 -11.438 -6.673 1.00 0.00 O ATOM 746 CB ASP A 54 -3.097 -11.227 -8.203 1.00 0.00 C ATOM 747 CG ASP A 54 -2.429 -11.393 -9.553 1.00 0.00 C ATOM 748 OD1 ASP A 54 -2.883 -12.253 -10.338 1.00 0.00 O ATOM 749 OD2 ASP A 54 -1.454 -10.664 -9.828 1.00 0.00 O ATOM 0 H ASP A 54 -4.109 -9.408 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.549 -10.107 -9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.408 -10.731 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.311 -12.210 -7.783 1.00 0.00 H new ATOM 754 N PRO A 55 -6.274 -11.870 -8.840 1.00 0.00 N ATOM 755 CA PRO A 55 -7.429 -12.730 -8.590 1.00 0.00 C ATOM 756 C PRO A 55 -7.017 -14.148 -8.212 1.00 0.00 C ATOM 757 O PRO A 55 -7.858 -14.981 -7.872 1.00 0.00 O ATOM 758 CB PRO A 55 -8.153 -12.720 -9.933 1.00 0.00 C ATOM 759 CG PRO A 55 -7.071 -12.541 -10.943 1.00 0.00 C ATOM 760 CD PRO A 55 -5.986 -11.733 -10.277 1.00 0.00 C ATOM 0 HA PRO A 55 -8.038 -12.382 -7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.698 -13.650 -10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.881 -11.911 -9.985 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.687 -13.506 -11.274 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.448 -12.028 -11.827 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.995 -12.114 -10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.014 -10.690 -10.592 1.00 0.00 H new ATOM 768 N LEU A 56 -5.717 -14.412 -8.268 1.00 0.00 N ATOM 769 CA LEU A 56 -5.184 -15.721 -7.928 1.00 0.00 C ATOM 770 C LEU A 56 -4.056 -15.592 -6.909 1.00 0.00 C ATOM 771 O LEU A 56 -3.454 -16.587 -6.506 1.00 0.00 O ATOM 772 CB LEU A 56 -4.677 -16.431 -9.182 1.00 0.00 C ATOM 773 CG LEU A 56 -5.659 -17.426 -9.802 1.00 0.00 C ATOM 774 CD1 LEU A 56 -6.343 -18.249 -8.722 1.00 0.00 C ATOM 775 CD2 LEU A 56 -6.688 -16.697 -10.653 1.00 0.00 C ATOM 0 H LEU A 56 -5.011 -13.731 -8.548 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.986 -16.313 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.424 -15.679 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.756 -16.958 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.100 -18.106 -10.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.037 -18.951 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.593 -18.801 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.890 -17.586 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.379 -17.420 -11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.242 -15.993 -10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.181 -16.155 -11.452 1.00 0.00 H new ATOM 787 N LEU A 57 -3.774 -14.359 -6.496 1.00 0.00 N ATOM 788 CA LEU A 57 -2.719 -14.102 -5.527 1.00 0.00 C ATOM 789 C LEU A 57 -2.851 -15.017 -4.316 1.00 0.00 C ATOM 790 O LEU A 57 -3.832 -14.950 -3.575 1.00 0.00 O ATOM 791 CB LEU A 57 -2.744 -12.640 -5.091 1.00 0.00 C ATOM 792 CG LEU A 57 -1.390 -12.085 -4.656 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.014 -10.872 -5.492 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.416 -11.738 -3.178 1.00 0.00 C ATOM 0 H LEU A 57 -4.263 -13.524 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.763 -14.311 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.123 -12.035 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.448 -12.532 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.631 -12.851 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.046 -10.491 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.957 -11.158 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.769 -10.096 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.445 -11.343 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.185 -10.988 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.637 -12.634 -2.598 1.00 0.00 H new ATOM 806 N CYS A 58 -1.857 -15.881 -4.132 1.00 0.00 N ATOM 807 CA CYS A 58 -1.856 -16.827 -3.023 1.00 0.00 C ATOM 808 C CYS A 58 -3.190 -17.562 -2.942 1.00 0.00 C ATOM 809 O CYS A 58 -3.554 -18.096 -1.894 1.00 0.00 O ATOM 810 CB CYS A 58 -1.570 -16.117 -1.698 1.00 0.00 C ATOM 811 SG CYS A 58 -1.017 -14.389 -1.872 1.00 0.00 S ATOM 0 H CYS A 58 -1.040 -15.945 -4.739 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.064 -17.553 -3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.473 -16.137 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.807 -16.677 -1.157 1.00 0.00 H new ATOM 816 N ARG A 59 -3.910 -17.588 -4.059 1.00 0.00 N ATOM 817 CA ARG A 59 -5.202 -18.258 -4.120 1.00 0.00 C ATOM 818 C ARG A 59 -5.048 -19.749 -3.849 1.00 0.00 C ATOM 819 O ARG A 59 -4.881 -20.547 -4.772 1.00 0.00 O ATOM 820 CB ARG A 59 -5.845 -18.042 -5.490 1.00 0.00 C ATOM 821 CG ARG A 59 -7.363 -18.011 -5.451 1.00 0.00 C ATOM 822 CD ARG A 59 -7.960 -19.325 -5.933 1.00 0.00 C ATOM 823 NE ARG A 59 -9.008 -19.808 -5.038 1.00 0.00 N ATOM 824 CZ ARG A 59 -9.676 -20.940 -5.232 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.406 -21.701 -6.284 1.00 0.00 N ATOM 826 NH2 ARG A 59 -10.616 -21.314 -4.374 1.00 0.00 N ATOM 0 H ARG A 59 -3.619 -17.152 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.846 -17.829 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.481 -17.104 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.523 -18.837 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.698 -17.810 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.727 -17.194 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.370 -19.192 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.173 -20.075 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.240 -19.246 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.684 -21.418 -6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.920 -22.570 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.827 -20.732 -3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.128 -22.183 -4.525 1.00 0.00 H new ATOM 840 N GLY A 60 -5.102 -20.116 -2.576 1.00 0.00 N ATOM 841 CA GLY A 60 -4.963 -21.507 -2.197 1.00 0.00 C ATOM 842 C GLY A 60 -4.414 -21.663 -0.796 1.00 0.00 C ATOM 843 O GLY A 60 -4.633 -22.683 -0.144 1.00 0.00 O ATOM 0 H GLY A 60 -5.240 -19.472 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.934 -21.999 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.302 -22.010 -2.903 1.00 0.00 H new ATOM 847 N GLY A 61 -3.695 -20.645 -0.333 1.00 0.00 N ATOM 848 CA GLY A 61 -3.121 -20.692 0.998 1.00 0.00 C ATOM 849 C GLY A 61 -3.438 -19.458 1.823 1.00 0.00 C ATOM 850 O GLY A 61 -4.513 -19.361 2.414 1.00 0.00 O ATOM 0 H GLY A 61 -3.500 -19.791 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.493 -21.575 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.039 -20.801 0.918 1.00 0.00 H new ATOM 854 N VAL A 62 -2.498 -18.516 1.874 1.00 0.00 N ATOM 855 CA VAL A 62 -2.692 -17.294 2.646 1.00 0.00 C ATOM 856 C VAL A 62 -1.930 -16.119 2.038 1.00 0.00 C ATOM 857 O VAL A 62 -0.719 -16.186 1.839 1.00 0.00 O ATOM 858 CB VAL A 62 -2.242 -17.483 4.111 1.00 0.00 C ATOM 859 CG1 VAL A 62 -2.035 -16.140 4.801 1.00 0.00 C ATOM 860 CG2 VAL A 62 -3.252 -18.328 4.871 1.00 0.00 C ATOM 0 H VAL A 62 -1.601 -18.576 1.393 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.759 -17.074 2.622 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.285 -18.006 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.719 -16.305 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.268 -15.574 4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.970 -15.579 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.920 -18.452 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.223 -17.833 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.338 -19.306 4.397 1.00 0.00 H new ATOM 870 N CYS A 63 -2.649 -15.036 1.765 1.00 0.00 N ATOM 871 CA CYS A 63 -2.043 -13.839 1.201 1.00 0.00 C ATOM 872 C CYS A 63 -1.563 -12.907 2.311 1.00 0.00 C ATOM 873 O CYS A 63 -2.349 -12.164 2.896 1.00 0.00 O ATOM 874 CB CYS A 63 -3.041 -13.112 0.296 1.00 0.00 C ATOM 875 SG CYS A 63 -4.463 -12.390 1.177 1.00 0.00 S ATOM 0 H CYS A 63 -3.654 -14.964 1.926 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.182 -14.139 0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.518 -12.319 -0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.410 -13.812 -0.454 1.00 0.00 H new ATOM 880 N HIS A 64 -0.266 -12.958 2.600 1.00 0.00 N ATOM 881 CA HIS A 64 0.316 -12.124 3.644 1.00 0.00 C ATOM 882 C HIS A 64 0.780 -10.786 3.083 1.00 0.00 C ATOM 883 O HIS A 64 1.958 -10.440 3.165 1.00 0.00 O ATOM 884 CB HIS A 64 1.490 -12.842 4.308 1.00 0.00 C ATOM 885 CG HIS A 64 1.114 -14.152 4.925 1.00 0.00 C ATOM 886 ND1 HIS A 64 1.196 -15.350 4.252 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.651 -14.448 6.163 1.00 0.00 C ATOM 888 CE1 HIS A 64 0.798 -16.327 5.045 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.463 -15.807 6.210 1.00 0.00 N ATOM 0 H HIS A 64 0.400 -13.568 2.126 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.457 -11.936 4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.271 -13.009 3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.914 -12.195 5.076 1.00 0.00 H new ATOM 0 HD1 HIS A 64 1.515 -15.465 3.290 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.465 -13.747 6.963 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.754 -17.374 4.784 1.00 0.00 H new ATOM 898 N ASN A 65 -0.157 -10.035 2.517 1.00 0.00 N ATOM 899 CA ASN A 65 0.151 -8.730 1.947 1.00 0.00 C ATOM 900 C ASN A 65 1.022 -7.917 2.899 1.00 0.00 C ATOM 901 O ASN A 65 0.613 -7.600 4.016 1.00 0.00 O ATOM 902 CB ASN A 65 -1.146 -7.974 1.645 1.00 0.00 C ATOM 903 CG ASN A 65 -0.933 -6.483 1.463 1.00 0.00 C ATOM 904 OD1 ASN A 65 -0.306 -5.823 2.293 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.462 -5.942 0.374 1.00 0.00 N ATOM 0 H ASN A 65 -1.137 -10.308 2.441 1.00 0.00 H new ATOM 0 HA ASN A 65 0.703 -8.879 1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.597 -8.384 0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.854 -8.138 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.357 -4.943 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.974 -6.525 -0.288 1.00 0.00 H new ATOM 912 N THR A 66 2.224 -7.584 2.447 1.00 0.00 N ATOM 913 CA THR A 66 3.160 -6.809 3.250 1.00 0.00 C ATOM 914 C THR A 66 3.480 -5.473 2.584 1.00 0.00 C ATOM 915 O THR A 66 2.851 -5.096 1.596 1.00 0.00 O ATOM 916 CB THR A 66 4.471 -7.581 3.486 1.00 0.00 C ATOM 917 OG1 THR A 66 5.383 -7.341 2.409 1.00 0.00 O ATOM 918 CG2 THR A 66 4.203 -9.073 3.607 1.00 0.00 C ATOM 0 H THR A 66 2.575 -7.840 1.524 1.00 0.00 H new ATOM 0 HA THR A 66 2.678 -6.627 4.211 1.00 0.00 H new ATOM 0 HB THR A 66 4.912 -7.229 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.895 -6.975 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.143 -9.599 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.532 -9.255 4.446 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.742 -9.436 2.688 1.00 0.00 H new ATOM 926 N GLU A 67 4.461 -4.762 3.131 1.00 0.00 N ATOM 927 CA GLU A 67 4.862 -3.468 2.588 1.00 0.00 C ATOM 928 C GLU A 67 5.629 -3.634 1.280 1.00 0.00 C ATOM 929 O GLU A 67 6.408 -4.575 1.120 1.00 0.00 O ATOM 930 CB GLU A 67 5.721 -2.711 3.603 1.00 0.00 C ATOM 931 CG GLU A 67 7.189 -3.105 3.569 1.00 0.00 C ATOM 932 CD GLU A 67 7.948 -2.629 4.792 1.00 0.00 C ATOM 933 OE1 GLU A 67 7.304 -2.391 5.836 1.00 0.00 O ATOM 934 OE2 GLU A 67 9.187 -2.496 4.708 1.00 0.00 O ATOM 0 H GLU A 67 4.993 -5.059 3.949 1.00 0.00 H new ATOM 0 HA GLU A 67 3.958 -2.895 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.636 -1.641 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.328 -2.889 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.269 -4.190 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.652 -2.690 2.674 1.00 0.00 H new ATOM 941 N GLY A 68 5.406 -2.712 0.348 1.00 0.00 N ATOM 942 CA GLY A 68 6.082 -2.769 -0.936 1.00 0.00 C ATOM 943 C GLY A 68 6.300 -4.189 -1.417 1.00 0.00 C ATOM 944 O GLY A 68 7.286 -4.479 -2.094 1.00 0.00 O ATOM 0 H GLY A 68 4.767 -1.924 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.495 -2.225 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.045 -2.264 -0.858 1.00 0.00 H new ATOM 948 N SER A 69 5.375 -5.076 -1.064 1.00 0.00 N ATOM 949 CA SER A 69 5.464 -6.477 -1.459 1.00 0.00 C ATOM 950 C SER A 69 4.510 -7.326 -0.627 1.00 0.00 C ATOM 951 O SER A 69 3.880 -6.829 0.305 1.00 0.00 O ATOM 952 CB SER A 69 6.895 -6.989 -1.293 1.00 0.00 C ATOM 953 OG SER A 69 7.424 -7.436 -2.531 1.00 0.00 O ATOM 0 H SER A 69 4.553 -4.848 -0.504 1.00 0.00 H new ATOM 0 HA SER A 69 5.181 -6.555 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.524 -6.195 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.911 -7.805 -0.571 1.00 0.00 H new ATOM 0 HG SER A 69 8.340 -7.757 -2.398 1.00 0.00 H new ATOM 959 N TYR A 70 4.405 -8.608 -0.964 1.00 0.00 N ATOM 960 CA TYR A 70 3.523 -9.506 -0.236 1.00 0.00 C ATOM 961 C TYR A 70 4.081 -10.919 -0.176 1.00 0.00 C ATOM 962 O TYR A 70 5.020 -11.263 -0.892 1.00 0.00 O ATOM 963 CB TYR A 70 2.132 -9.513 -0.868 1.00 0.00 C ATOM 964 CG TYR A 70 2.119 -9.897 -2.330 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.629 -9.043 -3.298 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.585 -11.108 -2.739 1.00 0.00 C ATOM 967 CE1 TYR A 70 2.606 -9.387 -4.636 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.558 -11.462 -4.073 1.00 0.00 C ATOM 969 CZ TYR A 70 2.069 -10.599 -5.019 1.00 0.00 C ATOM 970 OH TYR A 70 2.044 -10.947 -6.350 1.00 0.00 O ATOM 0 H TYR A 70 4.917 -9.043 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 70 3.449 -9.136 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.498 -10.206 -0.316 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.691 -8.522 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.051 -8.094 -3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.183 -11.787 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.006 -8.711 -5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.139 -12.411 -4.374 1.00 0.00 H new ATOM 0 HH TYR A 70 2.667 -10.378 -6.849 1.00 0.00 H new ATOM 980 N ARG A 71 3.493 -11.730 0.695 1.00 0.00 N ATOM 981 CA ARG A 71 3.924 -13.111 0.868 1.00 0.00 C ATOM 982 C ARG A 71 2.773 -14.074 0.620 1.00 0.00 C ATOM 983 O ARG A 71 1.852 -14.177 1.429 1.00 0.00 O ATOM 984 CB ARG A 71 4.481 -13.326 2.276 1.00 0.00 C ATOM 985 CG ARG A 71 4.746 -12.034 3.031 1.00 0.00 C ATOM 986 CD ARG A 71 6.056 -11.397 2.597 1.00 0.00 C ATOM 987 NE ARG A 71 7.126 -12.382 2.463 1.00 0.00 N ATOM 988 CZ ARG A 71 8.231 -12.178 1.754 1.00 0.00 C ATOM 989 NH1 ARG A 71 8.412 -11.027 1.119 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.157 -13.124 1.678 1.00 0.00 N ATOM 0 H ARG A 71 2.715 -11.454 1.294 1.00 0.00 H new ATOM 0 HA ARG A 71 4.710 -13.310 0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.778 -13.933 2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.409 -13.894 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.926 -11.336 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.775 -12.236 4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.913 -10.886 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.349 -10.640 3.324 1.00 0.00 H new ATOM 0 HE ARG A 71 7.019 -13.277 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.702 -10.297 1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.261 -10.873 0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.022 -14.010 2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.005 -12.965 1.133 1.00 0.00 H new ATOM 1004 N CYS A 72 2.833 -14.781 -0.500 1.00 0.00 N ATOM 1005 CA CYS A 72 1.794 -15.739 -0.846 1.00 0.00 C ATOM 1006 C CYS A 72 2.118 -17.112 -0.283 1.00 0.00 C ATOM 1007 O CYS A 72 3.105 -17.740 -0.665 1.00 0.00 O ATOM 1008 CB CYS A 72 1.622 -15.828 -2.361 1.00 0.00 C ATOM 1009 SG CYS A 72 0.606 -14.501 -3.087 1.00 0.00 S ATOM 0 H CYS A 72 3.588 -14.709 -1.182 1.00 0.00 H new ATOM 0 HA CYS A 72 0.860 -15.391 -0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.607 -15.810 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.171 -16.789 -2.607 1.00 0.00 H new ATOM 1014 N GLU A 73 1.269 -17.577 0.619 1.00 0.00 N ATOM 1015 CA GLU A 73 1.442 -18.882 1.228 1.00 0.00 C ATOM 1016 C GLU A 73 0.509 -19.882 0.560 1.00 0.00 C ATOM 1017 O GLU A 73 -0.613 -19.542 0.194 1.00 0.00 O ATOM 1018 CB GLU A 73 1.175 -18.806 2.731 1.00 0.00 C ATOM 1019 CG GLU A 73 2.406 -19.090 3.576 1.00 0.00 C ATOM 1020 CD GLU A 73 2.997 -17.837 4.191 1.00 0.00 C ATOM 1021 OE1 GLU A 73 3.370 -16.920 3.429 1.00 0.00 O ATOM 1022 OE2 GLU A 73 3.086 -17.771 5.435 1.00 0.00 O ATOM 0 H GLU A 73 0.449 -17.065 0.946 1.00 0.00 H new ATOM 0 HA GLU A 73 2.471 -19.214 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.796 -17.814 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.392 -19.519 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.143 -19.790 4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.161 -19.577 2.959 1.00 0.00 H new ATOM 1029 N CYS A 74 0.994 -21.103 0.370 1.00 0.00 N ATOM 1030 CA CYS A 74 0.213 -22.141 -0.289 1.00 0.00 C ATOM 1031 C CYS A 74 -0.833 -22.758 0.650 1.00 0.00 C ATOM 1032 O CYS A 74 -1.923 -23.122 0.208 1.00 0.00 O ATOM 1033 CB CYS A 74 1.128 -23.231 -0.850 1.00 0.00 C ATOM 1034 SG CYS A 74 1.325 -23.185 -2.662 1.00 0.00 S ATOM 0 H CYS A 74 1.925 -21.398 0.663 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.322 -21.667 -1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.110 -23.138 -0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.731 -24.205 -0.564 1.00 0.00 H new ATOM 1039 N PRO A 75 -0.517 -22.907 1.960 1.00 0.00 N ATOM 1040 CA PRO A 75 0.766 -22.494 2.552 1.00 0.00 C ATOM 1041 C PRO A 75 1.913 -23.428 2.169 1.00 0.00 C ATOM 1042 O PRO A 75 1.766 -24.285 1.300 1.00 0.00 O ATOM 1043 CB PRO A 75 0.508 -22.570 4.072 1.00 0.00 C ATOM 1044 CG PRO A 75 -0.966 -22.779 4.217 1.00 0.00 C ATOM 1045 CD PRO A 75 -1.410 -23.472 2.969 1.00 0.00 C ATOM 0 HA PRO A 75 1.068 -21.506 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.067 -23.389 4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.825 -21.654 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.190 -23.381 5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.484 -21.828 4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.303 -24.554 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.457 -23.270 2.743 1.00 0.00 H new ATOM 1053 N PRO A 76 3.069 -23.283 2.839 1.00 0.00 N ATOM 1054 CA PRO A 76 4.248 -24.114 2.583 1.00 0.00 C ATOM 1055 C PRO A 76 3.905 -25.580 2.350 1.00 0.00 C ATOM 1056 O PRO A 76 2.755 -25.994 2.491 1.00 0.00 O ATOM 1057 CB PRO A 76 5.064 -23.937 3.859 1.00 0.00 C ATOM 1058 CG PRO A 76 4.758 -22.544 4.289 1.00 0.00 C ATOM 1059 CD PRO A 76 3.317 -22.302 3.917 1.00 0.00 C ATOM 0 HA PRO A 76 4.772 -23.819 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.777 -24.662 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.130 -24.073 3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.909 -22.425 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.415 -21.829 3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.651 -22.461 4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.157 -21.280 3.574 1.00 0.00 H new ATOM 1067 N GLY A 77 4.911 -26.358 1.970 1.00 0.00 N ATOM 1068 CA GLY A 77 4.694 -27.763 1.693 1.00 0.00 C ATOM 1069 C GLY A 77 4.221 -27.973 0.268 1.00 0.00 C ATOM 1070 O GLY A 77 3.893 -29.088 -0.135 1.00 0.00 O ATOM 0 H GLY A 77 5.873 -26.040 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.619 -28.316 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.955 -28.164 2.387 1.00 0.00 H new ATOM 1074 N HIS A 78 4.188 -26.879 -0.492 1.00 0.00 N ATOM 1075 CA HIS A 78 3.757 -26.908 -1.881 1.00 0.00 C ATOM 1076 C HIS A 78 4.656 -25.994 -2.724 1.00 0.00 C ATOM 1077 O HIS A 78 5.875 -26.006 -2.550 1.00 0.00 O ATOM 1078 CB HIS A 78 2.286 -26.491 -1.965 1.00 0.00 C ATOM 1079 CG HIS A 78 1.482 -27.316 -2.921 1.00 0.00 C ATOM 1080 ND1 HIS A 78 2.044 -28.238 -3.779 1.00 0.00 N ATOM 1081 CD2 HIS A 78 0.148 -27.355 -3.153 1.00 0.00 C ATOM 1082 CE1 HIS A 78 1.092 -28.808 -4.496 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.067 -28.290 -4.135 1.00 0.00 N ATOM 0 H HIS A 78 4.459 -25.953 -0.160 1.00 0.00 H new ATOM 0 HA HIS A 78 3.846 -27.918 -2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.840 -26.562 -0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.230 -25.445 -2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -0.606 -26.761 -2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.237 -29.568 -5.249 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -0.976 -28.543 -4.523 1.00 0.00 H new ATOM 1092 N GLN A 79 4.080 -25.203 -3.631 1.00 0.00 N ATOM 1093 CA GLN A 79 4.884 -24.311 -4.463 1.00 0.00 C ATOM 1094 C GLN A 79 4.102 -23.060 -4.848 1.00 0.00 C ATOM 1095 O GLN A 79 3.507 -22.998 -5.922 1.00 0.00 O ATOM 1096 CB GLN A 79 5.351 -25.041 -5.723 1.00 0.00 C ATOM 1097 CG GLN A 79 6.833 -24.869 -6.013 1.00 0.00 C ATOM 1098 CD GLN A 79 7.091 -24.079 -7.282 1.00 0.00 C ATOM 1099 OE1 GLN A 79 7.933 -24.453 -8.098 1.00 0.00 O ATOM 1100 NE2 GLN A 79 6.365 -22.982 -7.453 1.00 0.00 N ATOM 0 H GLN A 79 3.076 -25.162 -3.806 1.00 0.00 H new ATOM 0 HA GLN A 79 5.753 -24.004 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.131 -26.103 -5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.778 -24.678 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.308 -24.364 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.299 -25.851 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.678 -22.710 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.494 -22.410 -8.288 1.00 0.00 H new ATOM 1109 N LEU A 80 4.105 -22.062 -3.967 1.00 0.00 N ATOM 1110 CA LEU A 80 3.390 -20.818 -4.229 1.00 0.00 C ATOM 1111 C LEU A 80 4.270 -19.804 -4.939 1.00 0.00 C ATOM 1112 O LEU A 80 5.335 -19.432 -4.447 1.00 0.00 O ATOM 1113 CB LEU A 80 2.864 -20.205 -2.926 1.00 0.00 C ATOM 1114 CG LEU A 80 2.019 -18.931 -3.071 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.741 -18.594 -4.530 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.714 -19.087 -2.309 1.00 0.00 C ATOM 0 H LEU A 80 4.592 -22.091 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 80 2.551 -21.066 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.266 -20.956 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.716 -19.980 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 80 2.590 -18.104 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.141 -17.686 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.684 -18.438 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.199 -19.417 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.119 -18.180 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.158 -19.935 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.927 -19.259 -1.254 1.00 0.00 H new ATOM 1128 N SER A 81 3.803 -19.342 -6.089 1.00 0.00 N ATOM 1129 CA SER A 81 4.526 -18.348 -6.862 1.00 0.00 C ATOM 1130 C SER A 81 4.928 -17.175 -5.971 1.00 0.00 C ATOM 1131 O SER A 81 4.078 -16.533 -5.354 1.00 0.00 O ATOM 1132 CB SER A 81 3.649 -17.855 -8.010 1.00 0.00 C ATOM 1133 OG SER A 81 3.138 -16.563 -7.733 1.00 0.00 O ATOM 0 H SER A 81 2.923 -19.642 -6.508 1.00 0.00 H new ATOM 0 HA SER A 81 5.430 -18.802 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.229 -17.832 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.825 -18.551 -8.169 1.00 0.00 H new ATOM 0 HG SER A 81 3.089 -16.431 -6.763 1.00 0.00 H new ATOM 1139 N PRO A 82 6.232 -16.882 -5.892 1.00 0.00 N ATOM 1140 CA PRO A 82 6.750 -15.789 -5.076 1.00 0.00 C ATOM 1141 C PRO A 82 5.839 -14.566 -5.083 1.00 0.00 C ATOM 1142 O PRO A 82 5.573 -13.974 -4.038 1.00 0.00 O ATOM 1143 CB PRO A 82 8.080 -15.477 -5.750 1.00 0.00 C ATOM 1144 CG PRO A 82 8.547 -16.791 -6.283 1.00 0.00 C ATOM 1145 CD PRO A 82 7.309 -17.599 -6.595 1.00 0.00 C ATOM 0 HA PRO A 82 6.833 -16.059 -4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.958 -14.745 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.795 -15.059 -5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.154 -16.652 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.171 -17.305 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.123 -17.647 -7.668 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.402 -18.626 -6.242 1.00 0.00 H new ATOM 1153 N ASN A 83 5.365 -14.192 -6.267 1.00 0.00 N ATOM 1154 CA ASN A 83 4.484 -13.037 -6.401 1.00 0.00 C ATOM 1155 C ASN A 83 3.757 -13.052 -7.743 1.00 0.00 C ATOM 1156 O ASN A 83 3.340 -12.008 -8.244 1.00 0.00 O ATOM 1157 CB ASN A 83 5.283 -11.740 -6.256 1.00 0.00 C ATOM 1158 CG ASN A 83 5.825 -11.548 -4.853 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.036 -11.455 -4.651 1.00 0.00 O ATOM 1160 ND2 ASN A 83 4.929 -11.487 -3.874 1.00 0.00 N ATOM 0 H ASN A 83 5.575 -14.669 -7.144 1.00 0.00 H new ATOM 0 HA ASN A 83 3.739 -13.090 -5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.111 -11.746 -6.965 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.647 -10.894 -6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.235 -11.358 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.935 -11.569 -4.087 1.00 0.00 H new ATOM 1167 N ILE A 84 3.601 -14.241 -8.317 1.00 0.00 N ATOM 1168 CA ILE A 84 2.915 -14.383 -9.596 1.00 0.00 C ATOM 1169 C ILE A 84 1.413 -14.526 -9.381 1.00 0.00 C ATOM 1170 O ILE A 84 0.613 -14.149 -10.237 1.00 0.00 O ATOM 1171 CB ILE A 84 3.434 -15.597 -10.393 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.948 -15.496 -10.599 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.720 -15.693 -11.733 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.739 -15.472 -9.307 1.00 0.00 C ATOM 0 H ILE A 84 3.939 -15.117 -7.918 1.00 0.00 H new ATOM 0 HA ILE A 84 3.121 -13.481 -10.173 1.00 0.00 H new ATOM 0 HB ILE A 84 3.225 -16.502 -9.822 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.281 -16.341 -11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.169 -14.592 -11.167 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.096 -16.554 -12.285 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.649 -15.808 -11.567 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.903 -14.785 -12.308 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.803 -15.399 -9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.435 -14.612 -8.710 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.549 -16.388 -8.747 1.00 0.00 H new ATOM 1186 N SER A 85 1.042 -15.053 -8.218 1.00 0.00 N ATOM 1187 CA SER A 85 -0.360 -15.229 -7.856 1.00 0.00 C ATOM 1188 C SER A 85 -0.926 -16.559 -8.353 1.00 0.00 C ATOM 1189 O SER A 85 -1.509 -16.622 -9.436 1.00 0.00 O ATOM 1190 CB SER A 85 -1.193 -14.067 -8.408 1.00 0.00 C ATOM 1191 OG SER A 85 -1.640 -14.332 -9.726 1.00 0.00 O ATOM 0 H SER A 85 1.700 -15.368 -7.505 1.00 0.00 H new ATOM 0 HA SER A 85 -0.415 -15.239 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.051 -13.892 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.597 -13.154 -8.401 1.00 0.00 H new ATOM 0 HG SER A 85 -0.942 -14.814 -10.217 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.774 -17.614 -7.542 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.299 -18.937 -7.895 1.00 0.00 C ATOM 1199 C ALA A 86 -0.516 -20.076 -7.234 1.00 0.00 C ATOM 1200 O ALA A 86 0.372 -20.660 -7.853 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.296 -19.132 -9.405 1.00 0.00 C ATOM 0 H ALA A 86 -0.295 -17.577 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.322 -18.973 -7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.689 -20.120 -9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.920 -18.370 -9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.276 -19.046 -9.781 1.00 0.00 H new ATOM 1207 N CYS A 87 -0.863 -20.409 -5.988 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.195 -21.501 -5.281 1.00 0.00 C ATOM 1209 C CYS A 87 0.097 -22.646 -6.248 1.00 0.00 C ATOM 1210 O CYS A 87 -0.603 -22.814 -7.247 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.071 -22.002 -4.126 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.530 -23.580 -3.386 1.00 0.00 S ATOM 0 H CYS A 87 -1.596 -19.942 -5.453 1.00 0.00 H new ATOM 0 HA CYS A 87 0.745 -21.130 -4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.092 -21.240 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.093 -22.117 -4.487 1.00 0.00 H new ATOM 1217 N ILE A 88 1.131 -23.427 -5.957 1.00 0.00 N ATOM 1218 CA ILE A 88 1.500 -24.546 -6.817 1.00 0.00 C ATOM 1219 C ILE A 88 2.332 -25.570 -6.059 1.00 0.00 C ATOM 1220 O ILE A 88 3.240 -26.168 -6.675 1.00 0.00 O ATOM 1221 CB ILE A 88 2.293 -24.071 -8.050 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.973 -22.608 -8.358 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.982 -24.952 -9.251 1.00 0.00 C ATOM 1224 CD1 ILE A 88 2.817 -22.026 -9.471 1.00 0.00 C ATOM 1225 OXT ILE A 88 2.070 -25.766 -4.857 1.00 0.00 O ATOM 0 H ILE A 88 1.726 -23.308 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 88 0.570 -25.009 -7.148 1.00 0.00 H new ATOM 0 HB ILE A 88 3.358 -24.151 -7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.921 -22.524 -8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.118 -22.015 -7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.550 -24.604 -10.114 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.257 -25.983 -9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.916 -24.901 -9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.536 -20.986 -9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.870 -22.078 -9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.654 -22.595 -10.387 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -1.214 20.653 -11.464 1.00 0.00 CA HETATM 1239 CA CA A 102 0.848 -4.660 0.263 1.00 0.00 CA