USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=13 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 70 TYR OH : rot 119:sc= 0.211 USER MOD Set 1.2: A 85 SER OG : rot 86:sc= 0.109! USER MOD Single : A 3 THR OG1 : rot -5:sc= 0.833 USER MOD Single : A 11 SER OG : rot 157:sc= -3.53! USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 85:sc= -3.55! USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.085 (180deg=-0.386) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0465 USER MOD Single : A 37 SER OG : rot 51:sc= 0.14 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -167:sc= -0.0101 (180deg=-0.22) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.394 (180deg=-0.619) USER MOD Single : A 44 ASN : amide:sc= -5.21! C(o=-5.2!,f=-7.7!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 64 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-7.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-4.1!) USER MOD Single : A 79 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.12) USER MOD Single : A 81 SER OG : rot 140:sc= -3.54! USER MOD Single : A 83 ASN : amide:sc= -0.0508 X(o=-0.051,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -7.547 27.190 -9.990 1.00 0.00 N ATOM 2 CA THR A 3 -7.098 27.099 -11.374 1.00 0.00 C ATOM 3 C THR A 3 -6.016 26.038 -11.534 1.00 0.00 C ATOM 4 O THR A 3 -5.990 25.306 -12.523 1.00 0.00 O ATOM 5 CB THR A 3 -6.554 28.449 -11.879 1.00 0.00 C ATOM 6 OG1 THR A 3 -6.722 29.453 -10.871 1.00 0.00 O ATOM 7 CG2 THR A 3 -7.269 28.877 -13.151 1.00 0.00 C ATOM 0 HA THR A 3 -7.968 26.820 -11.969 1.00 0.00 H new ATOM 0 HB THR A 3 -5.493 28.329 -12.099 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.217 29.076 -10.114 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.869 29.833 -13.489 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.116 28.125 -13.925 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.336 28.981 -12.952 1.00 0.00 H new ATOM 15 N ASP A 4 -5.125 25.959 -10.551 1.00 0.00 N ATOM 16 CA ASP A 4 -4.038 24.987 -10.577 1.00 0.00 C ATOM 17 C ASP A 4 -2.898 25.425 -9.662 1.00 0.00 C ATOM 18 O ASP A 4 -1.917 26.016 -10.114 1.00 0.00 O ATOM 19 CB ASP A 4 -3.520 24.805 -12.005 1.00 0.00 C ATOM 20 CG ASP A 4 -2.155 24.146 -12.048 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.097 22.899 -12.041 1.00 0.00 O ATOM 22 OD2 ASP A 4 -1.143 24.878 -12.088 1.00 0.00 O ATOM 0 H ASP A 4 -5.135 26.558 -9.725 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.426 24.035 -10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.229 24.201 -12.571 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.466 25.777 -12.495 1.00 0.00 H new ATOM 27 N ILE A 5 -3.035 25.130 -8.374 1.00 0.00 N ATOM 28 CA ILE A 5 -2.020 25.491 -7.395 1.00 0.00 C ATOM 29 C ILE A 5 -0.984 24.380 -7.250 1.00 0.00 C ATOM 30 O ILE A 5 -1.244 23.228 -7.598 1.00 0.00 O ATOM 31 CB ILE A 5 -2.661 25.812 -6.020 1.00 0.00 C ATOM 32 CG1 ILE A 5 -1.953 27.007 -5.383 1.00 0.00 C ATOM 33 CG2 ILE A 5 -2.633 24.606 -5.087 1.00 0.00 C ATOM 34 CD1 ILE A 5 -1.877 28.206 -6.300 1.00 0.00 C ATOM 0 H ILE A 5 -3.841 24.641 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.516 26.388 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.708 26.064 -6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.477 27.288 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.944 26.713 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.091 24.872 -4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.187 23.783 -5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.601 24.299 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.363 29.022 -5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.328 27.939 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.885 28.523 -6.568 1.00 0.00 H new ATOM 46 N ASP A 6 0.190 24.729 -6.735 1.00 0.00 N ATOM 47 CA ASP A 6 1.255 23.751 -6.550 1.00 0.00 C ATOM 48 C ASP A 6 0.969 22.851 -5.357 1.00 0.00 C ATOM 49 O ASP A 6 1.368 23.148 -4.230 1.00 0.00 O ATOM 50 CB ASP A 6 2.601 24.445 -6.356 1.00 0.00 C ATOM 51 CG ASP A 6 3.754 23.460 -6.362 1.00 0.00 C ATOM 52 OD1 ASP A 6 3.497 22.245 -6.217 1.00 0.00 O ATOM 53 OD2 ASP A 6 4.913 23.902 -6.511 1.00 0.00 O ATOM 0 H ASP A 6 0.427 25.676 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 6 1.297 23.138 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.748 25.180 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.595 24.990 -5.412 1.00 0.00 H new ATOM 58 N GLU A 7 0.285 21.745 -5.612 1.00 0.00 N ATOM 59 CA GLU A 7 -0.043 20.795 -4.561 1.00 0.00 C ATOM 60 C GLU A 7 1.197 20.010 -4.162 1.00 0.00 C ATOM 61 O GLU A 7 1.274 19.465 -3.063 1.00 0.00 O ATOM 62 CB GLU A 7 -1.141 19.836 -5.027 1.00 0.00 C ATOM 63 CG GLU A 7 -2.335 20.531 -5.667 1.00 0.00 C ATOM 64 CD GLU A 7 -2.128 20.809 -7.142 1.00 0.00 C ATOM 65 OE1 GLU A 7 -1.019 20.538 -7.649 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.076 21.299 -7.792 1.00 0.00 O ATOM 0 H GLU A 7 -0.053 21.484 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.409 21.348 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.716 19.132 -5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.487 19.253 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.222 19.911 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.525 21.470 -5.148 1.00 0.00 H new ATOM 73 N CYS A 8 2.172 19.965 -5.064 1.00 0.00 N ATOM 74 CA CYS A 8 3.415 19.255 -4.806 1.00 0.00 C ATOM 75 C CYS A 8 4.266 20.018 -3.805 1.00 0.00 C ATOM 76 O CYS A 8 4.777 19.444 -2.843 1.00 0.00 O ATOM 77 CB CYS A 8 4.186 19.046 -6.109 1.00 0.00 C ATOM 78 SG CYS A 8 4.564 17.309 -6.475 1.00 0.00 S ATOM 0 H CYS A 8 2.123 20.412 -5.979 1.00 0.00 H new ATOM 0 HA CYS A 8 3.175 18.280 -4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.606 19.462 -6.933 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.119 19.607 -6.061 1.00 0.00 H new ATOM 83 N ARG A 9 4.401 21.321 -4.023 1.00 0.00 N ATOM 84 CA ARG A 9 5.177 22.156 -3.121 1.00 0.00 C ATOM 85 C ARG A 9 4.726 21.919 -1.688 1.00 0.00 C ATOM 86 O ARG A 9 5.522 21.993 -0.752 1.00 0.00 O ATOM 87 CB ARG A 9 5.021 23.634 -3.486 1.00 0.00 C ATOM 88 CG ARG A 9 6.184 24.187 -4.292 1.00 0.00 C ATOM 89 CD ARG A 9 7.340 24.597 -3.392 1.00 0.00 C ATOM 90 NE ARG A 9 8.137 25.670 -3.980 1.00 0.00 N ATOM 91 CZ ARG A 9 8.961 25.497 -5.009 1.00 0.00 C ATOM 92 NH1 ARG A 9 9.095 24.298 -5.558 1.00 0.00 N ATOM 93 NH2 ARG A 9 9.651 26.523 -5.487 1.00 0.00 N ATOM 0 H ARG A 9 3.986 21.817 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 9 6.230 21.890 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.101 23.764 -4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.914 24.216 -2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.525 23.435 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.850 25.047 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.951 24.922 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.977 23.733 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 9 8.057 26.604 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.566 23.507 -5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.727 24.166 -6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.550 27.446 -5.065 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.283 26.389 -6.276 1.00 0.00 H new ATOM 107 N ILE A 10 3.439 21.614 -1.527 1.00 0.00 N ATOM 108 CA ILE A 10 2.881 21.346 -0.211 1.00 0.00 C ATOM 109 C ILE A 10 3.688 20.272 0.501 1.00 0.00 C ATOM 110 O ILE A 10 4.165 20.469 1.619 1.00 0.00 O ATOM 111 CB ILE A 10 1.416 20.879 -0.314 1.00 0.00 C ATOM 112 CG1 ILE A 10 0.521 22.041 -0.744 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.948 20.293 1.010 1.00 0.00 C ATOM 114 CD1 ILE A 10 0.286 23.059 0.349 1.00 0.00 C ATOM 0 H ILE A 10 2.768 21.548 -2.292 1.00 0.00 H new ATOM 0 HA ILE A 10 2.922 22.276 0.356 1.00 0.00 H new ATOM 0 HB ILE A 10 1.350 20.097 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.973 22.539 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.440 21.646 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.089 19.969 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.573 19.439 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.023 21.051 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.357 23.855 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.194 22.575 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.240 23.482 0.664 1.00 0.00 H new ATOM 126 N SER A 11 3.828 19.132 -0.160 1.00 0.00 N ATOM 127 CA SER A 11 4.568 18.011 0.395 1.00 0.00 C ATOM 128 C SER A 11 5.345 17.281 -0.695 1.00 0.00 C ATOM 129 O SER A 11 4.765 16.793 -1.664 1.00 0.00 O ATOM 130 CB SER A 11 3.608 17.042 1.086 1.00 0.00 C ATOM 131 OG SER A 11 4.098 15.713 1.036 1.00 0.00 O ATOM 0 H SER A 11 3.436 18.960 -1.086 1.00 0.00 H new ATOM 0 HA SER A 11 5.279 18.397 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.469 17.342 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.630 17.090 0.606 1.00 0.00 H new ATOM 0 HG SER A 11 3.699 15.190 1.762 1.00 0.00 H new ATOM 137 N PRO A 12 6.674 17.186 -0.543 1.00 0.00 N ATOM 138 CA PRO A 12 7.533 16.500 -1.506 1.00 0.00 C ATOM 139 C PRO A 12 7.262 15.006 -1.500 1.00 0.00 C ATOM 140 O PRO A 12 7.583 14.293 -2.451 1.00 0.00 O ATOM 141 CB PRO A 12 8.955 16.790 -1.018 1.00 0.00 C ATOM 142 CG PRO A 12 8.821 17.852 0.022 1.00 0.00 C ATOM 143 CD PRO A 12 7.438 17.719 0.587 1.00 0.00 C ATOM 0 HA PRO A 12 7.364 16.839 -2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.416 15.894 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.589 17.125 -1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.573 17.729 0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.970 18.841 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.415 17.046 1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.045 18.678 0.924 1.00 0.00 H new ATOM 151 N ASP A 13 6.653 14.547 -0.414 1.00 0.00 N ATOM 152 CA ASP A 13 6.307 13.143 -0.254 1.00 0.00 C ATOM 153 C ASP A 13 4.799 12.999 -0.111 1.00 0.00 C ATOM 154 O ASP A 13 4.306 12.047 0.489 1.00 0.00 O ATOM 155 CB ASP A 13 7.012 12.552 0.969 1.00 0.00 C ATOM 156 CG ASP A 13 7.678 11.225 0.667 1.00 0.00 C ATOM 157 OD1 ASP A 13 6.952 10.224 0.489 1.00 0.00 O ATOM 158 OD2 ASP A 13 8.925 11.186 0.607 1.00 0.00 O ATOM 0 H ASP A 13 6.387 15.135 0.376 1.00 0.00 H new ATOM 0 HA ASP A 13 6.637 12.597 -1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.761 13.257 1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.288 12.417 1.773 1.00 0.00 H new ATOM 163 N LEU A 14 4.078 13.970 -0.661 1.00 0.00 N ATOM 164 CA LEU A 14 2.619 13.982 -0.602 1.00 0.00 C ATOM 165 C LEU A 14 2.031 12.592 -0.814 1.00 0.00 C ATOM 166 O LEU A 14 1.111 12.183 -0.104 1.00 0.00 O ATOM 167 CB LEU A 14 2.063 14.936 -1.655 1.00 0.00 C ATOM 168 CG LEU A 14 1.030 15.938 -1.141 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.329 17.331 -1.666 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.370 15.510 -1.544 1.00 0.00 C ATOM 0 H LEU A 14 4.483 14.765 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 14 2.334 14.320 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.893 15.488 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.610 14.348 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 14 1.086 15.961 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.582 18.030 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.319 17.641 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.301 17.323 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.094 16.234 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.436 15.459 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.587 14.529 -1.121 1.00 0.00 H new ATOM 182 N CYS A 15 2.553 11.872 -1.801 1.00 0.00 N ATOM 183 CA CYS A 15 2.063 10.532 -2.109 1.00 0.00 C ATOM 184 C CYS A 15 2.723 9.480 -1.225 1.00 0.00 C ATOM 185 O CYS A 15 2.657 8.288 -1.506 1.00 0.00 O ATOM 186 CB CYS A 15 2.297 10.205 -3.581 1.00 0.00 C ATOM 187 SG CYS A 15 0.772 9.799 -4.491 1.00 0.00 S ATOM 0 H CYS A 15 3.314 12.192 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 15 0.992 10.516 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.781 11.056 -4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.987 9.364 -3.652 1.00 0.00 H new ATOM 192 N GLY A 16 3.349 9.931 -0.149 1.00 0.00 N ATOM 193 CA GLY A 16 4.003 9.024 0.776 1.00 0.00 C ATOM 194 C GLY A 16 5.130 8.219 0.152 1.00 0.00 C ATOM 195 O GLY A 16 5.696 7.340 0.800 1.00 0.00 O ATOM 0 H GLY A 16 3.417 10.917 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.400 9.598 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.261 8.337 1.183 1.00 0.00 H new ATOM 199 N ARG A 17 5.462 8.515 -1.102 1.00 0.00 N ATOM 200 CA ARG A 17 6.528 7.804 -1.800 1.00 0.00 C ATOM 201 C ARG A 17 6.607 8.244 -3.256 1.00 0.00 C ATOM 202 O ARG A 17 7.629 8.761 -3.708 1.00 0.00 O ATOM 203 CB ARG A 17 6.300 6.291 -1.732 1.00 0.00 C ATOM 204 CG ARG A 17 7.584 5.480 -1.764 1.00 0.00 C ATOM 205 CD ARG A 17 8.018 5.068 -0.367 1.00 0.00 C ATOM 206 NE ARG A 17 8.463 3.678 -0.319 1.00 0.00 N ATOM 207 CZ ARG A 17 9.506 3.216 -1.001 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.206 4.031 -1.780 1.00 0.00 N ATOM 209 NH2 ARG A 17 9.851 1.939 -0.905 1.00 0.00 N ATOM 0 H ARG A 17 5.008 9.242 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 17 7.470 8.045 -1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.754 6.055 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.669 5.989 -2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.439 4.591 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.374 6.066 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.826 5.719 -0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.188 5.207 0.326 1.00 0.00 H new ATOM 0 HE ARG A 17 7.945 3.026 0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.944 5.014 -1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.006 3.675 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.316 1.310 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.652 1.586 -1.429 1.00 0.00 H new ATOM 223 N GLY A 18 5.519 8.028 -3.984 1.00 0.00 N ATOM 224 CA GLY A 18 5.474 8.398 -5.385 1.00 0.00 C ATOM 225 C GLY A 18 5.956 9.812 -5.633 1.00 0.00 C ATOM 226 O GLY A 18 6.057 10.616 -4.705 1.00 0.00 O ATOM 0 H GLY A 18 4.664 7.601 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.087 7.704 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.452 8.298 -5.750 1.00 0.00 H new ATOM 230 N GLN A 19 6.251 10.115 -6.891 1.00 0.00 N ATOM 231 CA GLN A 19 6.722 11.440 -7.271 1.00 0.00 C ATOM 232 C GLN A 19 5.550 12.337 -7.648 1.00 0.00 C ATOM 233 O GLN A 19 5.204 12.462 -8.823 1.00 0.00 O ATOM 234 CB GLN A 19 7.698 11.331 -8.442 1.00 0.00 C ATOM 235 CG GLN A 19 8.635 10.139 -8.340 1.00 0.00 C ATOM 236 CD GLN A 19 10.087 10.549 -8.198 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.527 10.960 -7.124 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.841 10.439 -9.286 1.00 0.00 N ATOM 0 H GLN A 19 6.172 9.458 -7.667 1.00 0.00 H new ATOM 0 HA GLN A 19 7.236 11.884 -6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.132 11.260 -9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.290 12.245 -8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.348 9.529 -7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.522 9.516 -9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.435 10.093 -10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.826 10.700 -9.252 1.00 0.00 H new ATOM 247 N CYS A 20 4.936 12.953 -6.643 1.00 0.00 N ATOM 248 CA CYS A 20 3.797 13.833 -6.871 1.00 0.00 C ATOM 249 C CYS A 20 4.049 14.766 -8.054 1.00 0.00 C ATOM 250 O CYS A 20 5.182 15.168 -8.318 1.00 0.00 O ATOM 251 CB CYS A 20 3.494 14.643 -5.602 1.00 0.00 C ATOM 252 SG CYS A 20 2.881 16.330 -5.903 1.00 0.00 S ATOM 0 H CYS A 20 5.208 12.859 -5.664 1.00 0.00 H new ATOM 0 HA CYS A 20 2.931 13.216 -7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.755 14.103 -5.011 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.401 14.703 -5.001 1.00 0.00 H new ATOM 257 N VAL A 21 2.971 15.115 -8.746 1.00 0.00 N ATOM 258 CA VAL A 21 3.041 16.014 -9.889 1.00 0.00 C ATOM 259 C VAL A 21 1.921 17.047 -9.823 1.00 0.00 C ATOM 260 O VAL A 21 0.952 16.877 -9.086 1.00 0.00 O ATOM 261 CB VAL A 21 2.944 15.248 -11.223 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.678 16.205 -12.376 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.213 14.446 -11.469 1.00 0.00 C ATOM 0 H VAL A 21 2.030 14.785 -8.532 1.00 0.00 H new ATOM 0 HA VAL A 21 4.008 16.514 -9.847 1.00 0.00 H new ATOM 0 HB VAL A 21 2.106 14.554 -11.161 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.613 15.643 -13.308 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.739 16.731 -12.203 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.491 16.928 -12.444 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.128 13.911 -12.415 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.068 15.121 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.354 13.730 -10.659 1.00 0.00 H new ATOM 273 N ASN A 22 2.061 18.118 -10.596 1.00 0.00 N ATOM 274 CA ASN A 22 1.061 19.178 -10.621 1.00 0.00 C ATOM 275 C ASN A 22 0.020 18.923 -11.707 1.00 0.00 C ATOM 276 O ASN A 22 0.334 18.381 -12.766 1.00 0.00 O ATOM 277 CB ASN A 22 1.732 20.530 -10.850 1.00 0.00 C ATOM 278 CG ASN A 22 0.852 21.685 -10.424 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.300 22.404 -11.258 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.716 21.871 -9.117 1.00 0.00 N ATOM 0 H ASN A 22 2.857 18.275 -11.214 1.00 0.00 H new ATOM 0 HA ASN A 22 0.554 19.188 -9.656 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.670 20.567 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.981 20.636 -11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.136 22.634 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.192 21.251 -8.461 1.00 0.00 H new ATOM 287 N THR A 23 -1.219 19.323 -11.438 1.00 0.00 N ATOM 288 CA THR A 23 -2.304 19.141 -12.395 1.00 0.00 C ATOM 289 C THR A 23 -3.371 20.216 -12.224 1.00 0.00 C ATOM 290 O THR A 23 -3.512 20.799 -11.150 1.00 0.00 O ATOM 291 CB THR A 23 -2.960 17.754 -12.244 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.916 17.777 -11.177 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.912 16.687 -11.969 1.00 0.00 C ATOM 0 H THR A 23 -1.496 19.775 -10.566 1.00 0.00 H new ATOM 0 HA THR A 23 -1.866 19.221 -13.390 1.00 0.00 H new ATOM 0 HB THR A 23 -3.465 17.512 -13.179 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.775 18.108 -11.514 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.399 15.717 -11.866 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.203 16.652 -12.796 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.382 16.927 -11.047 1.00 0.00 H new ATOM 301 N PRO A 24 -4.142 20.488 -13.288 1.00 0.00 N ATOM 302 CA PRO A 24 -5.205 21.495 -13.257 1.00 0.00 C ATOM 303 C PRO A 24 -6.200 21.236 -12.133 1.00 0.00 C ATOM 304 O PRO A 24 -6.996 20.298 -12.197 1.00 0.00 O ATOM 305 CB PRO A 24 -5.890 21.353 -14.625 1.00 0.00 C ATOM 306 CG PRO A 24 -5.410 20.053 -15.178 1.00 0.00 C ATOM 307 CD PRO A 24 -4.043 19.835 -14.597 1.00 0.00 C ATOM 0 HA PRO A 24 -4.812 22.495 -13.074 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.975 21.359 -14.523 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.627 22.181 -15.284 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.084 19.241 -14.905 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.371 20.083 -16.267 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.807 18.775 -14.504 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.264 20.282 -15.215 1.00 0.00 H new ATOM 315 N GLY A 25 -6.144 22.066 -11.097 1.00 0.00 N ATOM 316 CA GLY A 25 -7.040 21.901 -9.970 1.00 0.00 C ATOM 317 C GLY A 25 -6.899 20.538 -9.328 1.00 0.00 C ATOM 318 O GLY A 25 -7.892 19.903 -8.971 1.00 0.00 O ATOM 0 H GLY A 25 -5.495 22.849 -11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.836 22.674 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.069 22.041 -10.301 1.00 0.00 H new ATOM 322 N ASP A 26 -5.658 20.084 -9.187 1.00 0.00 N ATOM 323 CA ASP A 26 -5.381 18.785 -8.592 1.00 0.00 C ATOM 324 C ASP A 26 -3.897 18.446 -8.691 1.00 0.00 C ATOM 325 O ASP A 26 -3.072 19.305 -9.008 1.00 0.00 O ATOM 326 CB ASP A 26 -6.208 17.702 -9.280 1.00 0.00 C ATOM 327 CG ASP A 26 -7.187 17.032 -8.335 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.984 17.125 -7.107 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.156 16.414 -8.824 1.00 0.00 O ATOM 0 H ASP A 26 -4.827 20.599 -9.478 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.655 18.830 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.755 18.142 -10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.540 16.950 -9.699 1.00 0.00 H new ATOM 334 N PHE A 27 -3.563 17.189 -8.418 1.00 0.00 N ATOM 335 CA PHE A 27 -2.178 16.738 -8.473 1.00 0.00 C ATOM 336 C PHE A 27 -2.098 15.216 -8.489 1.00 0.00 C ATOM 337 O PHE A 27 -2.902 14.533 -7.854 1.00 0.00 O ATOM 338 CB PHE A 27 -1.403 17.282 -7.272 1.00 0.00 C ATOM 339 CG PHE A 27 -1.682 16.541 -5.995 1.00 0.00 C ATOM 340 CD1 PHE A 27 -1.231 15.242 -5.819 1.00 0.00 C ATOM 341 CD2 PHE A 27 -2.396 17.142 -4.972 1.00 0.00 C ATOM 342 CE1 PHE A 27 -1.488 14.559 -4.645 1.00 0.00 C ATOM 343 CE2 PHE A 27 -2.655 16.464 -3.797 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.200 15.170 -3.633 1.00 0.00 C ATOM 0 H PHE A 27 -4.232 16.465 -8.157 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.735 17.116 -9.394 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.335 17.233 -7.486 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.652 18.334 -7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.673 14.759 -6.607 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.755 18.153 -5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.132 13.547 -4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.213 16.945 -3.007 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.401 14.638 -2.715 1.00 0.00 H new ATOM 354 N GLU A 28 -1.114 14.692 -9.210 1.00 0.00 N ATOM 355 CA GLU A 28 -0.910 13.253 -9.304 1.00 0.00 C ATOM 356 C GLU A 28 0.445 12.880 -8.714 1.00 0.00 C ATOM 357 O GLU A 28 1.078 13.696 -8.045 1.00 0.00 O ATOM 358 CB GLU A 28 -1.000 12.797 -10.762 1.00 0.00 C ATOM 359 CG GLU A 28 -0.127 13.604 -11.707 1.00 0.00 C ATOM 360 CD GLU A 28 -0.585 13.509 -13.150 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.747 13.875 -13.428 1.00 0.00 O ATOM 362 OE2 GLU A 28 0.217 13.072 -14.001 1.00 0.00 O ATOM 0 H GLU A 28 -0.442 15.246 -9.740 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.692 12.748 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.714 11.747 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.037 12.865 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.131 14.649 -11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.903 13.254 -11.633 1.00 0.00 H new ATOM 369 N CYS A 29 0.893 11.652 -8.952 1.00 0.00 N ATOM 370 CA CYS A 29 2.179 11.212 -8.425 1.00 0.00 C ATOM 371 C CYS A 29 2.631 9.903 -9.061 1.00 0.00 C ATOM 372 O CYS A 29 1.816 9.100 -9.515 1.00 0.00 O ATOM 373 CB CYS A 29 2.098 11.044 -6.910 1.00 0.00 C ATOM 374 SG CYS A 29 1.418 9.440 -6.379 1.00 0.00 S ATOM 0 H CYS A 29 0.392 10.952 -9.499 1.00 0.00 H new ATOM 0 HA CYS A 29 2.913 11.979 -8.671 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.096 11.162 -6.488 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.481 11.843 -6.498 1.00 0.00 H new ATOM 379 N LYS A 30 3.944 9.693 -9.073 1.00 0.00 N ATOM 380 CA LYS A 30 4.526 8.480 -9.634 1.00 0.00 C ATOM 381 C LYS A 30 4.912 7.513 -8.517 1.00 0.00 C ATOM 382 O LYS A 30 6.086 7.383 -8.170 1.00 0.00 O ATOM 383 CB LYS A 30 5.756 8.821 -10.478 1.00 0.00 C ATOM 384 CG LYS A 30 6.171 7.707 -11.426 1.00 0.00 C ATOM 385 CD LYS A 30 6.254 6.369 -10.710 1.00 0.00 C ATOM 386 CE LYS A 30 6.760 5.273 -11.635 1.00 0.00 C ATOM 387 NZ LYS A 30 6.279 5.460 -13.032 1.00 0.00 N ATOM 0 H LYS A 30 4.627 10.351 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 30 3.783 8.003 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.551 9.722 -11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.589 9.051 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.455 7.639 -12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.139 7.945 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.918 6.456 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.270 6.098 -10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.850 5.263 -11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.429 4.303 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.423 4.581 -13.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.266 5.697 -13.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.811 6.232 -13.482 1.00 0.00 H new ATOM 401 N CYS A 31 3.909 6.849 -7.952 1.00 0.00 N ATOM 402 CA CYS A 31 4.128 5.902 -6.862 1.00 0.00 C ATOM 403 C CYS A 31 5.364 5.043 -7.097 1.00 0.00 C ATOM 404 O CYS A 31 5.949 5.052 -8.180 1.00 0.00 O ATOM 405 CB CYS A 31 2.898 5.013 -6.675 1.00 0.00 C ATOM 406 SG CYS A 31 1.487 5.856 -5.887 1.00 0.00 S ATOM 0 H CYS A 31 2.933 6.949 -8.231 1.00 0.00 H new ATOM 0 HA CYS A 31 4.295 6.482 -5.954 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.585 4.635 -7.648 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.175 4.149 -6.071 1.00 0.00 H new ATOM 411 N ASP A 32 5.758 4.309 -6.060 1.00 0.00 N ATOM 412 CA ASP A 32 6.929 3.445 -6.125 1.00 0.00 C ATOM 413 C ASP A 32 6.551 2.028 -6.558 1.00 0.00 C ATOM 414 O ASP A 32 5.579 1.829 -7.287 1.00 0.00 O ATOM 415 CB ASP A 32 7.624 3.409 -4.762 1.00 0.00 C ATOM 416 CG ASP A 32 9.129 3.273 -4.883 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.802 4.298 -5.121 1.00 0.00 O ATOM 418 OD2 ASP A 32 9.637 2.140 -4.739 1.00 0.00 O ATOM 0 H ASP A 32 5.279 4.297 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 32 7.611 3.853 -6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.387 4.320 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.232 2.575 -4.180 1.00 0.00 H new ATOM 423 N GLU A 33 7.334 1.051 -6.107 1.00 0.00 N ATOM 424 CA GLU A 33 7.098 -0.349 -6.445 1.00 0.00 C ATOM 425 C GLU A 33 5.607 -0.647 -6.598 1.00 0.00 C ATOM 426 O GLU A 33 5.033 -0.433 -7.666 1.00 0.00 O ATOM 427 CB GLU A 33 7.715 -1.255 -5.377 1.00 0.00 C ATOM 428 CG GLU A 33 9.221 -1.100 -5.249 1.00 0.00 C ATOM 429 CD GLU A 33 9.975 -1.787 -6.371 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.342 -2.551 -7.131 1.00 0.00 O ATOM 431 OE2 GLU A 33 11.197 -1.562 -6.489 1.00 0.00 O ATOM 0 H GLU A 33 8.142 1.205 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 33 7.574 -0.548 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.252 -1.037 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.483 -2.293 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.474 -0.040 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.545 -1.512 -4.293 1.00 0.00 H new ATOM 438 N GLY A 34 4.985 -1.147 -5.534 1.00 0.00 N ATOM 439 CA GLY A 34 3.573 -1.468 -5.586 1.00 0.00 C ATOM 440 C GLY A 34 2.746 -0.604 -4.659 1.00 0.00 C ATOM 441 O GLY A 34 1.779 -1.073 -4.067 1.00 0.00 O ATOM 0 H GLY A 34 5.435 -1.335 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.214 -1.346 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.432 -2.516 -5.322 1.00 0.00 H new ATOM 445 N TYR A 35 3.127 0.660 -4.536 1.00 0.00 N ATOM 446 CA TYR A 35 2.414 1.594 -3.676 1.00 0.00 C ATOM 447 C TYR A 35 1.303 2.294 -4.455 1.00 0.00 C ATOM 448 O TYR A 35 1.559 2.949 -5.465 1.00 0.00 O ATOM 449 CB TYR A 35 3.379 2.635 -3.105 1.00 0.00 C ATOM 450 CG TYR A 35 4.349 2.091 -2.076 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.941 0.842 -2.229 1.00 0.00 C ATOM 452 CD2 TYR A 35 4.677 2.838 -0.952 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.829 0.355 -1.288 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.565 2.358 -0.009 1.00 0.00 C ATOM 455 CZ TYR A 35 6.137 1.116 -0.181 1.00 0.00 C ATOM 456 OH TYR A 35 7.022 0.634 0.757 1.00 0.00 O ATOM 0 H TYR A 35 3.928 1.063 -5.022 1.00 0.00 H new ATOM 0 HA TYR A 35 1.970 1.032 -2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.947 3.075 -3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.800 3.439 -2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.703 0.243 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.230 3.811 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.279 -0.618 -1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.810 2.953 0.859 1.00 0.00 H new ATOM 0 HH TYR A 35 7.131 1.294 1.474 1.00 0.00 H new ATOM 466 N GLU A 36 0.067 2.151 -3.984 1.00 0.00 N ATOM 467 CA GLU A 36 -1.076 2.771 -4.646 1.00 0.00 C ATOM 468 C GLU A 36 -1.406 4.122 -4.011 1.00 0.00 C ATOM 469 O GLU A 36 -1.566 4.227 -2.795 1.00 0.00 O ATOM 470 CB GLU A 36 -2.287 1.829 -4.601 1.00 0.00 C ATOM 471 CG GLU A 36 -3.610 2.504 -4.263 1.00 0.00 C ATOM 472 CD GLU A 36 -4.181 3.285 -5.430 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.214 2.737 -6.552 1.00 0.00 O ATOM 474 OE2 GLU A 36 -4.594 4.446 -5.224 1.00 0.00 O ATOM 0 H GLU A 36 -0.168 1.613 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.819 2.951 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.383 1.337 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.095 1.048 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.330 1.748 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.465 3.176 -3.417 1.00 0.00 H new ATOM 481 N SER A 37 -1.508 5.148 -4.846 1.00 0.00 N ATOM 482 CA SER A 37 -1.818 6.491 -4.377 1.00 0.00 C ATOM 483 C SER A 37 -3.321 6.681 -4.219 1.00 0.00 C ATOM 484 O SER A 37 -4.020 7.007 -5.179 1.00 0.00 O ATOM 485 CB SER A 37 -1.261 7.532 -5.349 1.00 0.00 C ATOM 486 OG SER A 37 -1.541 7.179 -6.692 1.00 0.00 O ATOM 0 H SER A 37 -1.380 5.074 -5.855 1.00 0.00 H new ATOM 0 HA SER A 37 -1.350 6.625 -3.402 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.694 8.508 -5.129 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.184 7.623 -5.211 1.00 0.00 H new ATOM 0 HG SER A 37 -2.496 6.979 -6.785 1.00 0.00 H new ATOM 492 N GLY A 38 -3.814 6.477 -3.003 1.00 0.00 N ATOM 493 CA GLY A 38 -5.232 6.631 -2.744 1.00 0.00 C ATOM 494 C GLY A 38 -5.846 5.389 -2.133 1.00 0.00 C ATOM 495 O GLY A 38 -6.998 5.055 -2.408 1.00 0.00 O ATOM 0 H GLY A 38 -3.257 6.208 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.386 7.477 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.745 6.866 -3.676 1.00 0.00 H new ATOM 499 N PHE A 39 -5.071 4.703 -1.303 1.00 0.00 N ATOM 500 CA PHE A 39 -5.537 3.487 -0.648 1.00 0.00 C ATOM 501 C PHE A 39 -6.820 3.748 0.136 1.00 0.00 C ATOM 502 O PHE A 39 -7.543 2.816 0.489 1.00 0.00 O ATOM 503 CB PHE A 39 -4.454 2.943 0.284 1.00 0.00 C ATOM 504 CG PHE A 39 -4.839 1.663 0.971 1.00 0.00 C ATOM 505 CD1 PHE A 39 -5.844 0.861 0.456 1.00 0.00 C ATOM 506 CD2 PHE A 39 -4.194 1.264 2.131 1.00 0.00 C ATOM 507 CE1 PHE A 39 -6.200 -0.317 1.085 1.00 0.00 C ATOM 508 CE2 PHE A 39 -4.546 0.088 2.764 1.00 0.00 C ATOM 509 CZ PHE A 39 -5.550 -0.704 2.241 1.00 0.00 C ATOM 0 H PHE A 39 -4.115 4.968 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.751 2.745 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.542 2.778 -0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.224 3.695 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.355 1.160 -0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.408 1.879 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.985 -0.934 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.037 -0.212 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.826 -1.624 2.735 1.00 0.00 H new ATOM 519 N MET A 40 -7.098 5.021 0.402 1.00 0.00 N ATOM 520 CA MET A 40 -8.296 5.407 1.141 1.00 0.00 C ATOM 521 C MET A 40 -8.134 6.791 1.759 1.00 0.00 C ATOM 522 O MET A 40 -9.118 7.466 2.062 1.00 0.00 O ATOM 523 CB MET A 40 -8.599 4.381 2.234 1.00 0.00 C ATOM 524 CG MET A 40 -7.354 3.814 2.896 1.00 0.00 C ATOM 525 SD MET A 40 -7.394 3.962 4.692 1.00 0.00 S ATOM 526 CE MET A 40 -8.522 2.637 5.116 1.00 0.00 C ATOM 0 H MET A 40 -6.509 5.804 0.117 1.00 0.00 H new ATOM 0 HA MET A 40 -9.129 5.438 0.439 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.225 4.847 2.995 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.176 3.563 1.803 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.249 2.764 2.624 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.475 4.332 2.512 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.650 2.600 6.198 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.487 2.816 4.642 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.116 1.688 4.766 1.00 0.00 H new ATOM 536 N MET A 41 -6.886 7.210 1.944 1.00 0.00 N ATOM 537 CA MET A 41 -6.595 8.516 2.526 1.00 0.00 C ATOM 538 C MET A 41 -6.828 9.630 1.511 1.00 0.00 C ATOM 539 O MET A 41 -7.173 10.747 1.890 1.00 0.00 O ATOM 540 CB MET A 41 -5.151 8.562 3.027 1.00 0.00 C ATOM 541 CG MET A 41 -4.654 7.237 3.580 1.00 0.00 C ATOM 542 SD MET A 41 -5.693 6.607 4.913 1.00 0.00 S ATOM 543 CE MET A 41 -5.396 7.834 6.183 1.00 0.00 C ATOM 0 H MET A 41 -6.060 6.664 1.699 1.00 0.00 H new ATOM 0 HA MET A 41 -7.271 8.670 3.367 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.501 8.870 2.208 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.069 9.323 3.803 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.617 6.503 2.775 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.635 7.360 3.946 1.00 0.00 H new ATOM 0 HE1 MET A 41 -5.777 7.470 7.137 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.325 8.019 6.267 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.905 8.761 5.919 1.00 0.00 H new ATOM 553 N MET A 42 -6.634 9.295 0.229 1.00 0.00 N ATOM 554 CA MET A 42 -6.811 10.221 -0.898 1.00 0.00 C ATOM 555 C MET A 42 -5.614 10.164 -1.838 1.00 0.00 C ATOM 556 O MET A 42 -5.772 10.174 -3.059 1.00 0.00 O ATOM 557 CB MET A 42 -7.032 11.660 -0.433 1.00 0.00 C ATOM 558 CG MET A 42 -8.447 11.910 0.052 1.00 0.00 C ATOM 559 SD MET A 42 -9.523 12.561 -1.240 1.00 0.00 S ATOM 560 CE MET A 42 -11.100 11.868 -0.747 1.00 0.00 C ATOM 0 H MET A 42 -6.346 8.360 -0.059 1.00 0.00 H new ATOM 0 HA MET A 42 -7.706 9.899 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.332 11.889 0.370 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.809 12.341 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.866 10.978 0.432 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.422 12.612 0.886 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.871 12.181 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.034 10.780 -0.742 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.356 12.221 0.252 1.00 0.00 H new ATOM 570 N LYS A 43 -4.419 10.094 -1.266 1.00 0.00 N ATOM 571 CA LYS A 43 -3.200 10.026 -2.059 1.00 0.00 C ATOM 572 C LYS A 43 -1.961 10.003 -1.169 1.00 0.00 C ATOM 573 O LYS A 43 -1.552 11.028 -0.622 1.00 0.00 O ATOM 574 CB LYS A 43 -3.125 11.202 -3.033 1.00 0.00 C ATOM 575 CG LYS A 43 -2.285 10.910 -4.264 1.00 0.00 C ATOM 576 CD LYS A 43 -3.149 10.671 -5.491 1.00 0.00 C ATOM 577 CE LYS A 43 -2.357 10.854 -6.775 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.242 10.924 -7.971 1.00 0.00 N ATOM 0 H LYS A 43 -4.269 10.083 -0.257 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.228 9.097 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.134 11.471 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.711 12.067 -2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.611 11.746 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.663 10.034 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.560 9.662 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.994 11.360 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.764 11.766 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.657 10.027 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.671 10.810 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.951 10.165 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.723 11.846 -7.994 1.00 0.00 H new ATOM 592 N ASN A 44 -1.369 8.823 -1.040 1.00 0.00 N ATOM 593 CA ASN A 44 -0.173 8.637 -0.231 1.00 0.00 C ATOM 594 C ASN A 44 0.451 7.278 -0.529 1.00 0.00 C ATOM 595 O ASN A 44 0.736 6.507 0.386 1.00 0.00 O ATOM 596 CB ASN A 44 -0.499 8.747 1.260 1.00 0.00 C ATOM 597 CG ASN A 44 -1.986 8.663 1.540 1.00 0.00 C ATOM 598 OD1 ASN A 44 -2.614 9.655 1.907 1.00 0.00 O ATOM 599 ND2 ASN A 44 -2.554 7.475 1.366 1.00 0.00 N ATOM 0 H ASN A 44 -1.703 7.971 -1.491 1.00 0.00 H new ATOM 0 HA ASN A 44 0.538 9.423 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.014 7.951 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.114 9.692 1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.552 7.357 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.992 6.681 1.060 1.00 0.00 H new ATOM 606 N CYS A 45 0.644 7.009 -1.826 1.00 0.00 N ATOM 607 CA CYS A 45 1.222 5.750 -2.315 1.00 0.00 C ATOM 608 C CYS A 45 1.438 4.740 -1.193 1.00 0.00 C ATOM 609 O CYS A 45 2.410 4.823 -0.443 1.00 0.00 O ATOM 610 CB CYS A 45 2.538 6.016 -3.047 1.00 0.00 C ATOM 611 SG CYS A 45 2.354 7.078 -4.515 1.00 0.00 S ATOM 0 H CYS A 45 0.402 7.663 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 45 0.504 5.315 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.240 6.483 -2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.974 5.064 -3.350 1.00 0.00 H new ATOM 616 N MET A 46 0.514 3.793 -1.084 1.00 0.00 N ATOM 617 CA MET A 46 0.582 2.768 -0.054 1.00 0.00 C ATOM 618 C MET A 46 0.505 1.376 -0.669 1.00 0.00 C ATOM 619 O MET A 46 -0.522 0.999 -1.233 1.00 0.00 O ATOM 620 CB MET A 46 -0.556 2.962 0.951 1.00 0.00 C ATOM 621 CG MET A 46 -0.180 3.834 2.136 1.00 0.00 C ATOM 622 SD MET A 46 1.348 3.303 2.933 1.00 0.00 S ATOM 623 CE MET A 46 1.617 4.650 4.082 1.00 0.00 C ATOM 0 H MET A 46 -0.295 3.715 -1.701 1.00 0.00 H new ATOM 0 HA MET A 46 1.537 2.861 0.463 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.409 3.407 0.439 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.877 1.986 1.316 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.072 4.866 1.803 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.990 3.818 2.865 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.529 4.467 4.651 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.716 5.585 3.530 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.771 4.720 4.765 1.00 0.00 H new ATOM 633 N ASP A 47 1.605 0.628 -0.557 1.00 0.00 N ATOM 634 CA ASP A 47 1.700 -0.727 -1.096 1.00 0.00 C ATOM 635 C ASP A 47 0.326 -1.353 -1.317 1.00 0.00 C ATOM 636 O ASP A 47 -0.324 -1.815 -0.380 1.00 0.00 O ATOM 637 CB ASP A 47 2.533 -1.606 -0.164 1.00 0.00 C ATOM 638 CG ASP A 47 1.778 -2.003 1.090 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.896 -1.230 1.521 1.00 0.00 O ATOM 640 OD2 ASP A 47 2.070 -3.084 1.642 1.00 0.00 O ATOM 0 H ASP A 47 2.454 0.946 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 47 2.190 -0.659 -2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.842 -2.505 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.442 -1.073 0.116 1.00 0.00 H new ATOM 645 N ILE A 48 -0.097 -1.352 -2.573 1.00 0.00 N ATOM 646 CA ILE A 48 -1.382 -1.906 -2.975 1.00 0.00 C ATOM 647 C ILE A 48 -1.681 -3.226 -2.277 1.00 0.00 C ATOM 648 O ILE A 48 -0.856 -3.753 -1.531 1.00 0.00 O ATOM 649 CB ILE A 48 -1.407 -2.143 -4.491 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.067 -2.728 -4.938 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.706 -0.848 -5.230 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.205 -3.925 -5.849 1.00 0.00 C ATOM 0 H ILE A 48 0.444 -0.965 -3.346 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.142 -1.179 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.199 -2.853 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.505 -1.955 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.506 -3.016 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.719 -1.036 -6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.678 -0.466 -4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.936 -0.112 -5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.785 -4.287 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.749 -4.715 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.751 -3.637 -6.748 1.00 0.00 H new ATOM 664 N ASP A 49 -2.870 -3.758 -2.541 1.00 0.00 N ATOM 665 CA ASP A 49 -3.292 -5.022 -1.954 1.00 0.00 C ATOM 666 C ASP A 49 -2.954 -6.186 -2.878 1.00 0.00 C ATOM 667 O ASP A 49 -3.831 -6.730 -3.549 1.00 0.00 O ATOM 668 CB ASP A 49 -4.795 -5.001 -1.677 1.00 0.00 C ATOM 669 CG ASP A 49 -5.262 -6.238 -0.936 1.00 0.00 C ATOM 670 OD1 ASP A 49 -4.632 -7.303 -1.104 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.258 -6.143 -0.189 1.00 0.00 O ATOM 0 H ASP A 49 -3.559 -3.331 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.757 -5.156 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.042 -4.115 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.335 -4.920 -2.621 1.00 0.00 H new ATOM 676 N GLU A 50 -1.680 -6.564 -2.914 1.00 0.00 N ATOM 677 CA GLU A 50 -1.234 -7.666 -3.756 1.00 0.00 C ATOM 678 C GLU A 50 -2.128 -8.887 -3.571 1.00 0.00 C ATOM 679 O GLU A 50 -2.238 -9.732 -4.458 1.00 0.00 O ATOM 680 CB GLU A 50 0.208 -8.033 -3.421 1.00 0.00 C ATOM 681 CG GLU A 50 1.215 -6.956 -3.785 1.00 0.00 C ATOM 682 CD GLU A 50 1.456 -5.987 -2.645 1.00 0.00 C ATOM 683 OE1 GLU A 50 1.197 -6.366 -1.484 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.901 -4.851 -2.913 1.00 0.00 O ATOM 0 H GLU A 50 -0.939 -6.123 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.294 -7.344 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.282 -8.240 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.470 -8.953 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.158 -7.424 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.858 -6.407 -4.656 1.00 0.00 H new ATOM 691 N CYS A 51 -2.764 -8.969 -2.409 1.00 0.00 N ATOM 692 CA CYS A 51 -3.650 -10.085 -2.097 1.00 0.00 C ATOM 693 C CYS A 51 -4.969 -9.954 -2.852 1.00 0.00 C ATOM 694 O CYS A 51 -5.792 -10.869 -2.854 1.00 0.00 O ATOM 695 CB CYS A 51 -3.915 -10.149 -0.592 1.00 0.00 C ATOM 696 SG CYS A 51 -5.043 -11.489 -0.087 1.00 0.00 S ATOM 0 H CYS A 51 -2.683 -8.275 -1.666 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.160 -11.007 -2.410 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.965 -10.274 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.333 -9.196 -0.267 1.00 0.00 H new ATOM 701 N GLN A 52 -5.160 -8.804 -3.491 1.00 0.00 N ATOM 702 CA GLN A 52 -6.372 -8.538 -4.250 1.00 0.00 C ATOM 703 C GLN A 52 -6.046 -8.317 -5.723 1.00 0.00 C ATOM 704 O GLN A 52 -6.879 -8.553 -6.598 1.00 0.00 O ATOM 705 CB GLN A 52 -7.078 -7.308 -3.682 1.00 0.00 C ATOM 706 CG GLN A 52 -8.102 -7.639 -2.609 1.00 0.00 C ATOM 707 CD GLN A 52 -9.259 -6.661 -2.584 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.031 -6.571 -3.538 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.385 -5.921 -1.489 1.00 0.00 N ATOM 0 H GLN A 52 -4.485 -8.039 -3.496 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.031 -9.402 -4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.332 -6.631 -3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.573 -6.776 -4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.486 -8.645 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.613 -7.642 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.722 -6.029 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.145 -5.245 -1.415 1.00 0.00 H new ATOM 718 N ARG A 53 -4.826 -7.864 -5.987 1.00 0.00 N ATOM 719 CA ARG A 53 -4.378 -7.608 -7.350 1.00 0.00 C ATOM 720 C ARG A 53 -4.522 -8.855 -8.215 1.00 0.00 C ATOM 721 O ARG A 53 -4.741 -8.764 -9.423 1.00 0.00 O ATOM 722 CB ARG A 53 -2.920 -7.144 -7.346 1.00 0.00 C ATOM 723 CG ARG A 53 -2.341 -6.943 -8.736 1.00 0.00 C ATOM 724 CD ARG A 53 -1.135 -7.837 -8.966 1.00 0.00 C ATOM 725 NE ARG A 53 -0.749 -7.886 -10.373 1.00 0.00 N ATOM 726 CZ ARG A 53 0.437 -8.312 -10.797 1.00 0.00 C ATOM 727 NH1 ARG A 53 1.346 -8.724 -9.924 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.714 -8.326 -12.093 1.00 0.00 N ATOM 0 H ARG A 53 -4.127 -7.666 -5.271 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.005 -6.822 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.847 -6.208 -6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.316 -7.878 -6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.104 -7.158 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.053 -5.900 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.296 -7.473 -8.373 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.359 -8.845 -8.617 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.427 -7.576 -11.069 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.136 -8.714 -8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.255 -9.051 -10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.017 -8.010 -12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.624 -8.653 -12.416 1.00 0.00 H new ATOM 742 N ASP A 54 -4.398 -10.020 -7.589 1.00 0.00 N ATOM 743 CA ASP A 54 -4.512 -11.286 -8.300 1.00 0.00 C ATOM 744 C ASP A 54 -5.668 -12.115 -7.752 1.00 0.00 C ATOM 745 O ASP A 54 -5.872 -12.196 -6.541 1.00 0.00 O ATOM 746 CB ASP A 54 -3.207 -12.076 -8.195 1.00 0.00 C ATOM 747 CG ASP A 54 -2.554 -12.297 -9.544 1.00 0.00 C ATOM 748 OD1 ASP A 54 -2.058 -11.312 -10.132 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.537 -13.454 -10.014 1.00 0.00 O ATOM 0 H ASP A 54 -4.218 -10.113 -6.589 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.711 -11.067 -9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.515 -11.544 -7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.406 -13.041 -7.729 1.00 0.00 H new ATOM 754 N PRO A 55 -6.437 -12.745 -8.649 1.00 0.00 N ATOM 755 CA PRO A 55 -7.578 -13.577 -8.274 1.00 0.00 C ATOM 756 C PRO A 55 -7.150 -14.976 -7.846 1.00 0.00 C ATOM 757 O PRO A 55 -7.970 -15.783 -7.409 1.00 0.00 O ATOM 758 CB PRO A 55 -8.392 -13.634 -9.562 1.00 0.00 C ATOM 759 CG PRO A 55 -7.381 -13.524 -10.653 1.00 0.00 C ATOM 760 CD PRO A 55 -6.246 -12.694 -10.108 1.00 0.00 C ATOM 0 HA PRO A 55 -8.126 -13.176 -7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.954 -14.565 -9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.116 -12.821 -9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.029 -14.510 -10.956 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.814 -13.055 -11.537 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.278 -13.102 -10.398 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.285 -11.670 -10.480 1.00 0.00 H new ATOM 768 N LEU A 56 -5.855 -15.251 -7.970 1.00 0.00 N ATOM 769 CA LEU A 56 -5.306 -16.544 -7.595 1.00 0.00 C ATOM 770 C LEU A 56 -4.264 -16.383 -6.494 1.00 0.00 C ATOM 771 O LEU A 56 -3.833 -17.362 -5.882 1.00 0.00 O ATOM 772 CB LEU A 56 -4.681 -17.230 -8.810 1.00 0.00 C ATOM 773 CG LEU A 56 -5.362 -18.531 -9.234 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.796 -19.331 -8.016 1.00 0.00 C ATOM 775 CD2 LEU A 56 -6.551 -18.240 -10.137 1.00 0.00 C ATOM 0 H LEU A 56 -5.166 -14.590 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.119 -17.165 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.700 -16.536 -9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.634 -17.439 -8.592 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.643 -19.128 -9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.279 -20.253 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.923 -19.572 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.498 -18.742 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.024 -19.178 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.272 -17.622 -9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.211 -17.712 -11.028 1.00 0.00 H new ATOM 787 N LEU A 57 -3.866 -15.139 -6.243 1.00 0.00 N ATOM 788 CA LEU A 57 -2.878 -14.847 -5.215 1.00 0.00 C ATOM 789 C LEU A 57 -3.241 -15.534 -3.906 1.00 0.00 C ATOM 790 O LEU A 57 -4.252 -15.207 -3.282 1.00 0.00 O ATOM 791 CB LEU A 57 -2.768 -13.338 -5.000 1.00 0.00 C ATOM 792 CG LEU A 57 -1.391 -12.847 -4.552 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.916 -11.709 -5.439 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.430 -12.412 -3.095 1.00 0.00 C ATOM 0 H LEU A 57 -4.214 -14.318 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.914 -15.230 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.032 -12.834 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.504 -13.038 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.683 -13.671 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.066 -11.373 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.849 -12.055 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.623 -10.881 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.442 -12.065 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.151 -11.603 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.725 -13.256 -2.471 1.00 0.00 H new ATOM 806 N CYS A 58 -2.416 -16.490 -3.498 1.00 0.00 N ATOM 807 CA CYS A 58 -2.658 -17.224 -2.266 1.00 0.00 C ATOM 808 C CYS A 58 -4.077 -17.777 -2.252 1.00 0.00 C ATOM 809 O CYS A 58 -4.632 -18.078 -1.196 1.00 0.00 O ATOM 810 CB CYS A 58 -2.417 -16.318 -1.058 1.00 0.00 C ATOM 811 SG CYS A 58 -0.710 -15.700 -0.953 1.00 0.00 S ATOM 0 H CYS A 58 -1.576 -16.774 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.964 -18.063 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.101 -15.470 -1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.654 -16.868 -0.147 1.00 0.00 H new ATOM 816 N ARG A 59 -4.651 -17.912 -3.443 1.00 0.00 N ATOM 817 CA ARG A 59 -6.001 -18.435 -3.592 1.00 0.00 C ATOM 818 C ARG A 59 -6.235 -19.600 -2.636 1.00 0.00 C ATOM 819 O ARG A 59 -7.359 -19.843 -2.198 1.00 0.00 O ATOM 820 CB ARG A 59 -6.230 -18.881 -5.037 1.00 0.00 C ATOM 821 CG ARG A 59 -7.696 -18.988 -5.420 1.00 0.00 C ATOM 822 CD ARG A 59 -8.024 -20.355 -5.998 1.00 0.00 C ATOM 823 NE ARG A 59 -9.359 -20.804 -5.616 1.00 0.00 N ATOM 824 CZ ARG A 59 -9.896 -21.950 -6.024 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.211 -22.758 -6.822 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.117 -22.290 -5.633 1.00 0.00 N ATOM 0 H ARG A 59 -4.198 -17.664 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.710 -17.644 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.739 -18.175 -5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.753 -19.849 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.316 -18.805 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.940 -18.216 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.952 -20.316 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.286 -21.080 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.911 -20.205 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.271 -22.501 -7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.624 -23.637 -7.134 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.646 -21.672 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.527 -23.170 -5.947 1.00 0.00 H new ATOM 840 N GLY A 60 -5.160 -20.312 -2.315 1.00 0.00 N ATOM 841 CA GLY A 60 -5.257 -21.440 -1.408 1.00 0.00 C ATOM 842 C GLY A 60 -4.320 -21.303 -0.226 1.00 0.00 C ATOM 843 O GLY A 60 -4.372 -22.096 0.715 1.00 0.00 O ATOM 0 H GLY A 60 -4.221 -20.127 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.282 -21.529 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.028 -22.359 -1.947 1.00 0.00 H new ATOM 847 N GLY A 61 -3.459 -20.291 -0.276 1.00 0.00 N ATOM 848 CA GLY A 61 -2.514 -20.063 0.801 1.00 0.00 C ATOM 849 C GLY A 61 -2.795 -18.775 1.553 1.00 0.00 C ATOM 850 O GLY A 61 -3.936 -18.319 1.608 1.00 0.00 O ATOM 0 H GLY A 61 -3.399 -19.624 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.550 -20.902 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.504 -20.030 0.393 1.00 0.00 H new ATOM 854 N VAL A 62 -1.752 -18.187 2.132 1.00 0.00 N ATOM 855 CA VAL A 62 -1.895 -16.944 2.881 1.00 0.00 C ATOM 856 C VAL A 62 -1.188 -15.794 2.174 1.00 0.00 C ATOM 857 O VAL A 62 -0.022 -15.908 1.797 1.00 0.00 O ATOM 858 CB VAL A 62 -1.331 -17.082 4.309 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.219 -15.719 4.975 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.199 -18.018 5.136 1.00 0.00 C ATOM 0 H VAL A 62 -0.800 -18.551 2.097 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.962 -16.729 2.940 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.331 -17.511 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.819 -15.838 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.552 -15.083 4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.205 -15.258 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.786 -18.104 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.212 -17.620 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.222 -19.002 4.668 1.00 0.00 H new ATOM 870 N CYS A 63 -1.898 -14.684 1.997 1.00 0.00 N ATOM 871 CA CYS A 63 -1.332 -13.516 1.334 1.00 0.00 C ATOM 872 C CYS A 63 -0.782 -12.523 2.351 1.00 0.00 C ATOM 873 O CYS A 63 -1.532 -11.769 2.971 1.00 0.00 O ATOM 874 CB CYS A 63 -2.384 -12.837 0.454 1.00 0.00 C ATOM 875 SG CYS A 63 -3.973 -12.528 1.290 1.00 0.00 S ATOM 0 H CYS A 63 -2.864 -14.570 2.303 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.509 -13.854 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.984 -11.888 0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.563 -13.458 -0.423 1.00 0.00 H new ATOM 880 N HIS A 64 0.536 -12.532 2.512 1.00 0.00 N ATOM 881 CA HIS A 64 1.200 -11.634 3.448 1.00 0.00 C ATOM 882 C HIS A 64 1.582 -10.329 2.764 1.00 0.00 C ATOM 883 O HIS A 64 2.762 -9.989 2.663 1.00 0.00 O ATOM 884 CB HIS A 64 2.447 -12.296 4.032 1.00 0.00 C ATOM 885 CG HIS A 64 2.180 -13.631 4.649 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.890 -14.765 4.320 1.00 0.00 N ATOM 887 CD2 HIS A 64 1.274 -14.013 5.580 1.00 0.00 C ATOM 888 CE1 HIS A 64 2.434 -15.786 5.019 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.453 -15.358 5.792 1.00 0.00 N ATOM 0 H HIS A 64 1.167 -13.153 2.005 1.00 0.00 H new ATOM 0 HA HIS A 64 0.503 -11.415 4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.191 -12.411 3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.880 -11.637 4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.547 -13.379 6.065 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.801 -16.800 4.968 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.916 -15.933 6.441 1.00 0.00 H new ATOM 898 N ASN A 65 0.577 -9.604 2.294 1.00 0.00 N ATOM 899 CA ASN A 65 0.803 -8.334 1.618 1.00 0.00 C ATOM 900 C ASN A 65 1.824 -7.491 2.375 1.00 0.00 C ATOM 901 O ASN A 65 1.542 -6.979 3.459 1.00 0.00 O ATOM 902 CB ASN A 65 -0.510 -7.564 1.483 1.00 0.00 C ATOM 903 CG ASN A 65 -0.299 -6.145 0.999 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.392 -5.353 1.638 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.898 -5.819 -0.139 1.00 0.00 N ATOM 0 H ASN A 65 -0.404 -9.874 2.368 1.00 0.00 H new ATOM 0 HA ASN A 65 1.196 -8.544 0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.166 -8.088 0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.018 -7.545 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.795 -4.878 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.462 -6.510 -0.635 1.00 0.00 H new ATOM 912 N THR A 66 3.011 -7.353 1.797 1.00 0.00 N ATOM 913 CA THR A 66 4.077 -6.573 2.411 1.00 0.00 C ATOM 914 C THR A 66 4.307 -5.271 1.652 1.00 0.00 C ATOM 915 O THR A 66 3.618 -4.982 0.674 1.00 0.00 O ATOM 916 CB THR A 66 5.395 -7.369 2.459 1.00 0.00 C ATOM 917 OG1 THR A 66 6.236 -6.993 1.362 1.00 0.00 O ATOM 918 CG2 THR A 66 5.125 -8.867 2.407 1.00 0.00 C ATOM 0 H THR A 66 3.259 -7.773 0.901 1.00 0.00 H new ATOM 0 HA THR A 66 3.762 -6.346 3.429 1.00 0.00 H new ATOM 0 HB THR A 66 5.899 -7.138 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.072 -7.503 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.070 -9.409 2.442 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.510 -9.156 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.602 -9.110 1.482 1.00 0.00 H new ATOM 926 N GLU A 67 5.280 -4.488 2.107 1.00 0.00 N ATOM 927 CA GLU A 67 5.598 -3.217 1.467 1.00 0.00 C ATOM 928 C GLU A 67 6.084 -3.437 0.038 1.00 0.00 C ATOM 929 O GLU A 67 6.979 -4.247 -0.206 1.00 0.00 O ATOM 930 CB GLU A 67 6.660 -2.467 2.273 1.00 0.00 C ATOM 931 CG GLU A 67 8.085 -2.848 1.909 1.00 0.00 C ATOM 932 CD GLU A 67 9.110 -2.241 2.845 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.708 -1.487 3.757 1.00 0.00 O ATOM 934 OE2 GLU A 67 10.315 -2.518 2.668 1.00 0.00 O ATOM 0 H GLU A 67 5.861 -4.711 2.915 1.00 0.00 H new ATOM 0 HA GLU A 67 4.689 -2.616 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.530 -1.396 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.502 -2.660 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.182 -3.934 1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.294 -2.525 0.889 1.00 0.00 H new ATOM 941 N GLY A 68 5.489 -2.713 -0.905 1.00 0.00 N ATOM 942 CA GLY A 68 5.875 -2.847 -2.296 1.00 0.00 C ATOM 943 C GLY A 68 6.114 -4.291 -2.691 1.00 0.00 C ATOM 944 O GLY A 68 6.925 -4.574 -3.572 1.00 0.00 O ATOM 0 H GLY A 68 4.746 -2.036 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.095 -2.424 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.781 -2.269 -2.477 1.00 0.00 H new ATOM 948 N SER A 69 5.407 -5.206 -2.036 1.00 0.00 N ATOM 949 CA SER A 69 5.546 -6.628 -2.322 1.00 0.00 C ATOM 950 C SER A 69 4.426 -7.427 -1.662 1.00 0.00 C ATOM 951 O SER A 69 3.454 -6.859 -1.164 1.00 0.00 O ATOM 952 CB SER A 69 6.905 -7.138 -1.838 1.00 0.00 C ATOM 953 OG SER A 69 7.549 -7.903 -2.843 1.00 0.00 O ATOM 0 H SER A 69 4.732 -4.987 -1.303 1.00 0.00 H new ATOM 0 HA SER A 69 5.479 -6.764 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.536 -6.294 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.771 -7.746 -0.943 1.00 0.00 H new ATOM 0 HG SER A 69 8.416 -8.216 -2.510 1.00 0.00 H new ATOM 959 N TYR A 70 4.569 -8.747 -1.660 1.00 0.00 N ATOM 960 CA TYR A 70 3.572 -9.624 -1.061 1.00 0.00 C ATOM 961 C TYR A 70 4.077 -11.059 -1.009 1.00 0.00 C ATOM 962 O TYR A 70 4.723 -11.536 -1.943 1.00 0.00 O ATOM 963 CB TYR A 70 2.256 -9.538 -1.837 1.00 0.00 C ATOM 964 CG TYR A 70 2.115 -10.556 -2.945 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.607 -11.823 -2.692 1.00 0.00 C ATOM 966 CD2 TYR A 70 2.483 -10.242 -4.247 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.471 -12.751 -3.706 1.00 0.00 C ATOM 968 CE2 TYR A 70 2.348 -11.164 -5.267 1.00 0.00 C ATOM 969 CZ TYR A 70 1.842 -12.417 -4.992 1.00 0.00 C ATOM 970 OH TYR A 70 1.707 -13.339 -6.005 1.00 0.00 O ATOM 0 H TYR A 70 5.367 -9.234 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 70 3.391 -9.295 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.428 -9.662 -1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.165 -8.539 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.314 -12.087 -1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.881 -9.262 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.076 -13.733 -3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.637 -10.905 -6.275 1.00 0.00 H new ATOM 0 HH TYR A 70 1.085 -12.995 -6.680 1.00 0.00 H new ATOM 980 N ARG A 71 3.792 -11.737 0.095 1.00 0.00 N ATOM 981 CA ARG A 71 4.230 -13.113 0.276 1.00 0.00 C ATOM 982 C ARG A 71 3.054 -14.078 0.219 1.00 0.00 C ATOM 983 O ARG A 71 1.904 -13.687 0.423 1.00 0.00 O ATOM 984 CB ARG A 71 4.960 -13.267 1.611 1.00 0.00 C ATOM 985 CG ARG A 71 5.437 -11.953 2.205 1.00 0.00 C ATOM 986 CD ARG A 71 5.616 -12.058 3.709 1.00 0.00 C ATOM 987 NE ARG A 71 6.909 -12.636 4.068 1.00 0.00 N ATOM 988 CZ ARG A 71 7.183 -13.135 5.268 1.00 0.00 C ATOM 989 NH1 ARG A 71 6.261 -13.126 6.220 1.00 0.00 N ATOM 990 NH2 ARG A 71 8.382 -13.645 5.518 1.00 0.00 N ATOM 0 H ARG A 71 3.260 -11.356 0.877 1.00 0.00 H new ATOM 0 HA ARG A 71 4.913 -13.355 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.296 -13.757 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.818 -13.924 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.382 -11.665 1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.718 -11.166 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.526 -11.067 4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.817 -12.670 4.127 1.00 0.00 H new ATOM 0 HE ARG A 71 7.641 -12.657 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.338 -12.735 6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.475 -13.510 7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.095 -13.654 4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.591 -14.028 6.440 1.00 0.00 H new ATOM 1004 N CYS A 72 3.353 -15.340 -0.061 1.00 0.00 N ATOM 1005 CA CYS A 72 2.328 -16.367 -0.146 1.00 0.00 C ATOM 1006 C CYS A 72 2.743 -17.597 0.661 1.00 0.00 C ATOM 1007 O CYS A 72 3.925 -17.936 0.722 1.00 0.00 O ATOM 1008 CB CYS A 72 2.085 -16.735 -1.612 1.00 0.00 C ATOM 1009 SG CYS A 72 0.341 -17.057 -2.037 1.00 0.00 S ATOM 0 H CYS A 72 4.301 -15.676 -0.233 1.00 0.00 H new ATOM 0 HA CYS A 72 1.399 -15.983 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.455 -15.926 -2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.673 -17.621 -1.853 1.00 0.00 H new ATOM 1014 N GLU A 73 1.772 -18.250 1.296 1.00 0.00 N ATOM 1015 CA GLU A 73 2.059 -19.426 2.117 1.00 0.00 C ATOM 1016 C GLU A 73 0.999 -20.516 1.939 1.00 0.00 C ATOM 1017 O GLU A 73 -0.174 -20.311 2.249 1.00 0.00 O ATOM 1018 CB GLU A 73 2.140 -19.008 3.588 1.00 0.00 C ATOM 1019 CG GLU A 73 2.796 -20.037 4.494 1.00 0.00 C ATOM 1020 CD GLU A 73 3.228 -19.450 5.824 1.00 0.00 C ATOM 1021 OE1 GLU A 73 4.349 -18.905 5.896 1.00 0.00 O ATOM 1022 OE2 GLU A 73 2.445 -19.536 6.793 1.00 0.00 O ATOM 0 H GLU A 73 0.787 -17.988 1.259 1.00 0.00 H new ATOM 0 HA GLU A 73 3.013 -19.843 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.695 -18.073 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.133 -18.809 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.099 -20.856 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.664 -20.460 3.989 1.00 0.00 H new ATOM 1029 N CYS A 74 1.427 -21.677 1.447 1.00 0.00 N ATOM 1030 CA CYS A 74 0.521 -22.799 1.237 1.00 0.00 C ATOM 1031 C CYS A 74 0.199 -23.527 2.549 1.00 0.00 C ATOM 1032 O CYS A 74 -0.897 -24.066 2.707 1.00 0.00 O ATOM 1033 CB CYS A 74 1.107 -23.786 0.223 1.00 0.00 C ATOM 1034 SG CYS A 74 0.078 -24.038 -1.261 1.00 0.00 S ATOM 0 H CYS A 74 2.396 -21.863 1.187 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.409 -22.390 0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.089 -23.430 -0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.257 -24.747 0.714 1.00 0.00 H new ATOM 1039 N PRO A 75 1.157 -23.582 3.505 1.00 0.00 N ATOM 1040 CA PRO A 75 2.486 -22.957 3.375 1.00 0.00 C ATOM 1041 C PRO A 75 3.335 -23.606 2.286 1.00 0.00 C ATOM 1042 O PRO A 75 2.974 -24.646 1.738 1.00 0.00 O ATOM 1043 CB PRO A 75 3.130 -23.184 4.753 1.00 0.00 C ATOM 1044 CG PRO A 75 1.996 -23.520 5.662 1.00 0.00 C ATOM 1045 CD PRO A 75 0.997 -24.236 4.807 1.00 0.00 C ATOM 0 HA PRO A 75 2.408 -21.908 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.860 -23.993 4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.657 -22.293 5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.328 -24.149 6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.564 -22.620 6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.204 -25.305 4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.017 -24.128 5.192 1.00 0.00 H new ATOM 1053 N PRO A 76 4.498 -23.005 1.987 1.00 0.00 N ATOM 1054 CA PRO A 76 5.424 -23.518 0.982 1.00 0.00 C ATOM 1055 C PRO A 76 5.469 -25.040 0.930 1.00 0.00 C ATOM 1056 O PRO A 76 5.751 -25.619 -0.119 1.00 0.00 O ATOM 1057 CB PRO A 76 6.757 -22.950 1.455 1.00 0.00 C ATOM 1058 CG PRO A 76 6.403 -21.632 2.057 1.00 0.00 C ATOM 1059 CD PRO A 76 5.012 -21.782 2.628 1.00 0.00 C ATOM 0 HA PRO A 76 5.141 -23.230 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.232 -23.606 2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.456 -22.834 0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.115 -21.357 2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.431 -20.842 1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.034 -21.878 3.714 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.390 -20.918 2.397 1.00 0.00 H new ATOM 1067 N GLY A 77 5.184 -25.687 2.061 1.00 0.00 N ATOM 1068 CA GLY A 77 5.193 -27.139 2.097 1.00 0.00 C ATOM 1069 C GLY A 77 4.666 -27.728 0.806 1.00 0.00 C ATOM 1070 O GLY A 77 5.089 -28.801 0.376 1.00 0.00 O ATOM 0 H GLY A 77 4.949 -25.235 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.209 -27.494 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.585 -27.487 2.932 1.00 0.00 H new ATOM 1074 N HIS A 78 3.746 -27.001 0.181 1.00 0.00 N ATOM 1075 CA HIS A 78 3.152 -27.415 -1.080 1.00 0.00 C ATOM 1076 C HIS A 78 3.985 -26.872 -2.249 1.00 0.00 C ATOM 1077 O HIS A 78 5.199 -27.077 -2.290 1.00 0.00 O ATOM 1078 CB HIS A 78 1.707 -26.913 -1.143 1.00 0.00 C ATOM 1079 CG HIS A 78 0.821 -27.739 -2.023 1.00 0.00 C ATOM 1080 ND1 HIS A 78 1.198 -28.961 -2.537 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.434 -27.512 -2.481 1.00 0.00 C ATOM 1082 CE1 HIS A 78 0.216 -29.451 -3.272 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.786 -28.591 -3.253 1.00 0.00 N ATOM 0 H HIS A 78 3.394 -26.112 0.535 1.00 0.00 H new ATOM 0 HA HIS A 78 3.144 -28.503 -1.152 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.292 -26.899 -0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.704 -25.884 -1.503 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.043 -26.644 -2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.230 -30.394 -3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.677 -28.709 -3.734 1.00 0.00 H new ATOM 1092 N GLN A 79 3.351 -26.164 -3.188 1.00 0.00 N ATOM 1093 CA GLN A 79 4.061 -25.591 -4.319 1.00 0.00 C ATOM 1094 C GLN A 79 3.448 -24.240 -4.646 1.00 0.00 C ATOM 1095 O GLN A 79 2.953 -24.010 -5.749 1.00 0.00 O ATOM 1096 CB GLN A 79 3.993 -26.523 -5.530 1.00 0.00 C ATOM 1097 CG GLN A 79 5.355 -26.858 -6.116 1.00 0.00 C ATOM 1098 CD GLN A 79 5.412 -26.646 -7.616 1.00 0.00 C ATOM 1099 OE1 GLN A 79 6.426 -26.202 -8.154 1.00 0.00 O ATOM 1100 NE2 GLN A 79 4.319 -26.962 -8.301 1.00 0.00 N ATOM 0 H GLN A 79 2.348 -25.978 -3.181 1.00 0.00 H new ATOM 0 HA GLN A 79 5.113 -25.463 -4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.494 -27.448 -5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.379 -26.059 -6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.115 -26.241 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.598 -27.896 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.500 -27.327 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.298 -26.840 -9.313 1.00 0.00 H new ATOM 1109 N LEU A 80 3.460 -23.361 -3.653 1.00 0.00 N ATOM 1110 CA LEU A 80 2.884 -22.036 -3.791 1.00 0.00 C ATOM 1111 C LEU A 80 3.842 -21.078 -4.477 1.00 0.00 C ATOM 1112 O LEU A 80 4.849 -20.663 -3.902 1.00 0.00 O ATOM 1113 CB LEU A 80 2.490 -21.502 -2.414 1.00 0.00 C ATOM 1114 CG LEU A 80 2.037 -20.039 -2.366 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.495 -19.573 -3.711 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.992 -19.854 -1.277 1.00 0.00 C ATOM 0 H LEU A 80 3.867 -23.547 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 80 1.996 -22.114 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.685 -22.124 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.341 -21.621 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 80 2.908 -19.425 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.184 -18.531 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.273 -19.666 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.640 -20.188 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.676 -18.811 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.131 -20.489 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.419 -20.129 -0.313 1.00 0.00 H new ATOM 1128 N SER A 81 3.511 -20.722 -5.710 1.00 0.00 N ATOM 1129 CA SER A 81 4.323 -19.802 -6.484 1.00 0.00 C ATOM 1130 C SER A 81 4.764 -18.621 -5.621 1.00 0.00 C ATOM 1131 O SER A 81 3.963 -18.038 -4.892 1.00 0.00 O ATOM 1132 CB SER A 81 3.532 -19.318 -7.697 1.00 0.00 C ATOM 1133 OG SER A 81 4.160 -19.706 -8.906 1.00 0.00 O ATOM 0 H SER A 81 2.680 -21.060 -6.196 1.00 0.00 H new ATOM 0 HA SER A 81 5.218 -20.319 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.522 -19.726 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.439 -18.232 -7.664 1.00 0.00 H new ATOM 0 HG SER A 81 3.479 -19.987 -9.553 1.00 0.00 H new ATOM 1139 N PRO A 82 6.053 -18.260 -5.686 1.00 0.00 N ATOM 1140 CA PRO A 82 6.607 -17.152 -4.899 1.00 0.00 C ATOM 1141 C PRO A 82 5.800 -15.867 -5.050 1.00 0.00 C ATOM 1142 O PRO A 82 5.144 -15.421 -4.108 1.00 0.00 O ATOM 1143 CB PRO A 82 8.015 -16.979 -5.473 1.00 0.00 C ATOM 1144 CG PRO A 82 8.363 -18.316 -6.028 1.00 0.00 C ATOM 1145 CD PRO A 82 7.073 -18.909 -6.526 1.00 0.00 C ATOM 0 HA PRO A 82 6.593 -17.364 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.036 -16.211 -6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.722 -16.674 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.088 -18.226 -6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.814 -18.950 -5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.916 -18.698 -7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.058 -19.993 -6.411 1.00 0.00 H new ATOM 1153 N ASN A 83 5.849 -15.276 -6.238 1.00 0.00 N ATOM 1154 CA ASN A 83 5.120 -14.044 -6.508 1.00 0.00 C ATOM 1155 C ASN A 83 4.259 -14.191 -7.753 1.00 0.00 C ATOM 1156 O ASN A 83 4.001 -13.218 -8.462 1.00 0.00 O ATOM 1157 CB ASN A 83 6.091 -12.876 -6.678 1.00 0.00 C ATOM 1158 CG ASN A 83 6.554 -12.318 -5.348 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.751 -12.146 -5.117 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.605 -12.031 -4.465 1.00 0.00 N ATOM 0 H ASN A 83 6.386 -15.631 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 83 4.469 -13.840 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.956 -13.206 -7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.609 -12.086 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.856 -11.652 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.625 -12.190 -4.700 1.00 0.00 H new ATOM 1167 N ILE A 84 3.816 -15.414 -8.014 1.00 0.00 N ATOM 1168 CA ILE A 84 2.982 -15.691 -9.172 1.00 0.00 C ATOM 1169 C ILE A 84 1.506 -15.690 -8.789 1.00 0.00 C ATOM 1170 O ILE A 84 0.627 -15.614 -9.648 1.00 0.00 O ATOM 1171 CB ILE A 84 3.348 -17.038 -9.824 1.00 0.00 C ATOM 1172 CG1 ILE A 84 4.840 -17.342 -9.627 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.997 -17.023 -11.304 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.739 -16.126 -9.708 1.00 0.00 C ATOM 0 H ILE A 84 4.022 -16.230 -7.437 1.00 0.00 H new ATOM 0 HA ILE A 84 3.164 -14.898 -9.897 1.00 0.00 H new ATOM 0 HB ILE A 84 2.770 -17.826 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.977 -17.817 -8.655 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.155 -18.063 -10.381 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.262 -17.982 -11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.927 -16.850 -11.423 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.550 -16.226 -11.801 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.775 -16.429 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.635 -15.661 -10.688 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.455 -15.411 -8.936 1.00 0.00 H new ATOM 1186 N SER A 85 1.244 -15.752 -7.486 1.00 0.00 N ATOM 1187 CA SER A 85 -0.122 -15.733 -6.973 1.00 0.00 C ATOM 1188 C SER A 85 -0.905 -16.977 -7.387 1.00 0.00 C ATOM 1189 O SER A 85 -1.595 -16.966 -8.406 1.00 0.00 O ATOM 1190 CB SER A 85 -0.847 -14.480 -7.469 1.00 0.00 C ATOM 1191 OG SER A 85 0.005 -13.676 -8.267 1.00 0.00 O ATOM 0 H SER A 85 1.962 -15.816 -6.765 1.00 0.00 H new ATOM 0 HA SER A 85 -0.064 -15.723 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.724 -14.769 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.203 -13.902 -6.617 1.00 0.00 H new ATOM 0 HG SER A 85 -0.019 -13.993 -9.194 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.809 -18.039 -6.581 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.527 -19.284 -6.859 1.00 0.00 C ATOM 1199 C ALA A 86 -0.831 -20.490 -6.236 1.00 0.00 C ATOM 1200 O ALA A 86 0.157 -20.992 -6.773 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.676 -19.495 -8.360 1.00 0.00 C ATOM 0 H ALA A 86 -0.242 -18.060 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.515 -19.192 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.212 -20.426 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.233 -18.663 -8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.689 -19.547 -8.820 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.363 -20.965 -5.113 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.799 -22.129 -4.437 1.00 0.00 C ATOM 1209 C CYS A 87 -0.746 -23.314 -5.400 1.00 0.00 C ATOM 1210 O CYS A 87 -1.617 -23.453 -6.259 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.636 -22.483 -3.208 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.773 -22.232 -1.624 1.00 0.00 S ATOM 0 H CYS A 87 -2.180 -20.564 -4.654 1.00 0.00 H new ATOM 0 HA CYS A 87 0.214 -21.893 -4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.544 -21.880 -3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.945 -23.526 -3.280 1.00 0.00 H new ATOM 1217 N ILE A 88 0.270 -24.165 -5.268 1.00 0.00 N ATOM 1218 CA ILE A 88 0.395 -25.315 -6.153 1.00 0.00 C ATOM 1219 C ILE A 88 1.134 -26.461 -5.476 1.00 0.00 C ATOM 1220 O ILE A 88 1.651 -27.341 -6.197 1.00 0.00 O ATOM 1221 CB ILE A 88 1.124 -24.943 -7.461 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.924 -23.460 -7.782 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.626 -25.811 -8.605 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.399 -23.074 -9.167 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.188 -26.474 -4.229 1.00 0.00 O ATOM 0 H ILE A 88 1.007 -24.080 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.619 -25.638 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 88 2.191 -25.123 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.134 -23.215 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.457 -22.861 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.148 -25.539 -9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.817 -26.859 -8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.445 -25.658 -8.738 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.227 -22.010 -9.327 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.464 -23.287 -9.259 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.848 -23.647 -9.913 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -1.747 21.875 -9.764 1.00 0.00 CA HETATM 1239 CA CA A 102 1.399 -4.175 -0.443 1.00 0.00 CA