USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 438 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 Single : A 1 LEU N :NH3+ 140:sc= -0.244 (180deg=-1.41!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.9) USER MOD Single : A 6 GLN : amide:sc= -1.17 K(o=-1.2,f=-4!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 8 SER OG : rot 57:sc= 0.232 USER MOD Single : A 9 SER OG : rot 180:sc= -0.187 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -81:sc= 0.115 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -7! C(o=-7!,f=-8.8!) USER MOD Single : A 25 TYR OH : rot 130:sc= -5.12! USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0689) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -78:sc= -1.44 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0742 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.825 K(o=-0.83,f=-4.8!) USER MOD Single : A 53 ASN : amide:sc= -3.95! C(o=-4!,f=-5.7!) USER MOD Single : A 56 THR OG1 : rot 54:sc= 0.0572 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 61 ASN : amide:sc= -3.19! C(o=-3.2!,f=-2.6!) USER MOD Single : A 62 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -13.440 6.284 -7.596 1.00 0.00 N ATOM 2 CA LEU A 1 -12.412 5.970 -6.563 1.00 0.00 C ATOM 3 C LEU A 1 -12.392 4.462 -6.303 1.00 0.00 C ATOM 4 O LEU A 1 -13.223 3.934 -5.591 1.00 0.00 O ATOM 5 CB LEU A 1 -12.752 6.705 -5.265 1.00 0.00 C ATOM 6 CG LEU A 1 -14.156 6.310 -4.806 1.00 0.00 C ATOM 7 CD1 LEU A 1 -14.058 5.448 -3.546 1.00 0.00 C ATOM 8 CD2 LEU A 1 -14.962 7.573 -4.495 1.00 0.00 C ATOM 0 H1 LEU A 1 -13.939 7.158 -7.335 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.977 6.412 -8.519 1.00 0.00 H new ATOM 0 H3 LEU A 1 -14.122 5.501 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 1 -11.432 6.291 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.023 6.458 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -12.699 7.783 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 1 -14.651 5.745 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.059 5.167 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -13.481 4.549 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.564 6.013 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -15.964 7.294 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.465 8.136 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -15.032 8.190 -5.391 1.00 0.00 H new ATOM 22 N GLU A 2 -11.448 3.766 -6.873 1.00 0.00 N ATOM 23 CA GLU A 2 -11.374 2.294 -6.656 1.00 0.00 C ATOM 24 C GLU A 2 -9.955 1.805 -6.957 1.00 0.00 C ATOM 25 O GLU A 2 -9.498 1.850 -8.082 1.00 0.00 O ATOM 26 CB GLU A 2 -12.367 1.589 -7.583 1.00 0.00 C ATOM 27 CG GLU A 2 -13.379 0.804 -6.746 1.00 0.00 C ATOM 28 CD GLU A 2 -13.240 -0.689 -7.044 1.00 0.00 C ATOM 29 OE1 GLU A 2 -12.766 -1.016 -8.120 1.00 0.00 O ATOM 30 OE2 GLU A 2 -13.609 -1.481 -6.193 1.00 0.00 O ATOM 0 H GLU A 2 -10.725 4.153 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.624 2.067 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.883 2.321 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.837 0.916 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.212 0.991 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.391 1.138 -6.973 1.00 0.00 H new ATOM 37 N CYS A 3 -9.255 1.339 -5.960 1.00 0.00 N ATOM 38 CA CYS A 3 -7.867 0.850 -6.189 1.00 0.00 C ATOM 39 C CYS A 3 -7.808 -0.658 -5.931 1.00 0.00 C ATOM 40 O CYS A 3 -8.755 -1.254 -5.457 1.00 0.00 O ATOM 41 CB CYS A 3 -6.911 1.569 -5.235 1.00 0.00 C ATOM 42 SG CYS A 3 -7.286 3.339 -5.230 1.00 0.00 S ATOM 0 H CYS A 3 -9.584 1.276 -4.997 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.574 1.053 -7.219 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.010 1.162 -4.229 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.879 1.406 -5.545 1.00 0.00 H new ATOM 47 N HIS A 4 -6.702 -1.278 -6.240 1.00 0.00 N ATOM 48 CA HIS A 4 -6.585 -2.747 -6.014 1.00 0.00 C ATOM 49 C HIS A 4 -5.820 -3.003 -4.713 1.00 0.00 C ATOM 50 O HIS A 4 -5.300 -2.094 -4.099 1.00 0.00 O ATOM 51 CB HIS A 4 -5.826 -3.380 -7.182 1.00 0.00 C ATOM 52 CG HIS A 4 -6.733 -4.328 -7.918 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.784 -3.884 -8.705 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.755 -5.698 -7.998 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.390 -4.970 -9.220 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.803 -6.102 -8.821 1.00 0.00 N ATOM 0 H HIS A 4 -5.876 -0.832 -6.638 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.580 -3.186 -5.943 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.467 -2.605 -7.859 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.949 -3.912 -6.813 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.065 -6.362 -7.499 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.247 -4.931 -9.876 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -8.066 -7.056 -9.066 1.00 0.00 H new ATOM 64 N ASN A 5 -5.746 -4.235 -4.290 1.00 0.00 N ATOM 65 CA ASN A 5 -5.014 -4.548 -3.032 1.00 0.00 C ATOM 66 C ASN A 5 -4.464 -5.974 -3.100 1.00 0.00 C ATOM 67 O ASN A 5 -4.846 -6.759 -3.946 1.00 0.00 O ATOM 68 CB ASN A 5 -5.969 -4.428 -1.841 1.00 0.00 C ATOM 69 CG ASN A 5 -5.175 -4.531 -0.537 1.00 0.00 C ATOM 70 OD1 ASN A 5 -5.002 -5.608 -0.001 1.00 0.00 O ATOM 71 ND2 ASN A 5 -4.683 -3.448 0.002 1.00 0.00 N ATOM 0 H ASN A 5 -6.161 -5.038 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.189 -3.846 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.500 -3.477 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.722 -5.215 -1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.154 -3.506 0.872 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.828 -2.544 -0.447 1.00 0.00 H new ATOM 78 N GLN A 6 -3.571 -6.315 -2.213 1.00 0.00 N ATOM 79 CA GLN A 6 -2.991 -7.687 -2.217 1.00 0.00 C ATOM 80 C GLN A 6 -1.845 -7.752 -1.206 1.00 0.00 C ATOM 81 O GLN A 6 -0.704 -7.979 -1.558 1.00 0.00 O ATOM 82 CB GLN A 6 -2.457 -8.017 -3.614 1.00 0.00 C ATOM 83 CG GLN A 6 -1.528 -6.896 -4.086 1.00 0.00 C ATOM 84 CD GLN A 6 -0.166 -7.486 -4.455 1.00 0.00 C ATOM 85 OE1 GLN A 6 -0.057 -8.659 -4.750 1.00 0.00 O ATOM 86 NE2 GLN A 6 0.887 -6.716 -4.452 1.00 0.00 N ATOM 0 H GLN A 6 -3.216 -5.699 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.762 -8.409 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.919 -8.965 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.285 -8.135 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.962 -6.388 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.412 -6.150 -3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.797 -5.731 -4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.800 -7.099 -4.697 1.00 0.00 H new ATOM 95 N GLN A 7 -2.139 -7.551 0.050 1.00 0.00 N ATOM 96 CA GLN A 7 -1.068 -7.597 1.085 1.00 0.00 C ATOM 97 C GLN A 7 -0.211 -8.849 0.882 1.00 0.00 C ATOM 98 O GLN A 7 -0.711 -9.956 0.829 1.00 0.00 O ATOM 99 CB GLN A 7 -1.705 -7.632 2.476 1.00 0.00 C ATOM 100 CG GLN A 7 -1.466 -6.295 3.182 1.00 0.00 C ATOM 101 CD GLN A 7 -2.806 -5.704 3.629 1.00 0.00 C ATOM 102 OE1 GLN A 7 -3.581 -6.361 4.294 1.00 0.00 O ATOM 103 NE2 GLN A 7 -3.112 -4.482 3.289 1.00 0.00 N ATOM 0 H GLN A 7 -3.076 -7.357 0.404 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.439 -6.711 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -2.775 -7.825 2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -1.279 -8.446 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.815 -6.439 4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.958 -5.603 2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.461 -3.930 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -4.002 -4.079 3.582 1.00 0.00 H new ATOM 112 N SER A 8 1.079 -8.681 0.765 1.00 0.00 N ATOM 113 CA SER A 8 1.975 -9.855 0.564 1.00 0.00 C ATOM 114 C SER A 8 1.365 -10.796 -0.478 1.00 0.00 C ATOM 115 O SER A 8 0.994 -11.913 -0.178 1.00 0.00 O ATOM 116 CB SER A 8 2.148 -10.601 1.888 1.00 0.00 C ATOM 117 OG SER A 8 0.947 -10.505 2.642 1.00 0.00 O ATOM 0 H SER A 8 1.552 -7.778 0.800 1.00 0.00 H new ATOM 0 HA SER A 8 2.948 -9.510 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.390 -11.647 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.979 -10.177 2.451 1.00 0.00 H new ATOM 0 HG SER A 8 0.200 -10.854 2.113 1.00 0.00 H new ATOM 123 N SER A 9 1.261 -10.350 -1.701 1.00 0.00 N ATOM 124 CA SER A 9 0.679 -11.210 -2.769 1.00 0.00 C ATOM 125 C SER A 9 -0.549 -11.950 -2.223 1.00 0.00 C ATOM 126 O SER A 9 -1.601 -11.368 -2.051 1.00 0.00 O ATOM 127 CB SER A 9 1.730 -12.215 -3.245 1.00 0.00 C ATOM 128 OG SER A 9 1.134 -13.116 -4.169 1.00 0.00 O ATOM 0 H SER A 9 1.556 -9.423 -2.007 1.00 0.00 H new ATOM 0 HA SER A 9 0.373 -10.589 -3.611 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.563 -11.692 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.136 -12.763 -2.395 1.00 0.00 H new ATOM 0 HG SER A 9 1.805 -13.760 -4.477 1.00 0.00 H new ATOM 134 N GLN A 10 -0.430 -13.225 -1.947 1.00 0.00 N ATOM 135 CA GLN A 10 -1.599 -13.981 -1.417 1.00 0.00 C ATOM 136 C GLN A 10 -2.852 -13.599 -2.205 1.00 0.00 C ATOM 137 O GLN A 10 -2.775 -12.989 -3.254 1.00 0.00 O ATOM 138 CB GLN A 10 -1.798 -13.641 0.060 1.00 0.00 C ATOM 139 CG GLN A 10 -1.194 -14.748 0.925 1.00 0.00 C ATOM 140 CD GLN A 10 -2.316 -15.587 1.536 1.00 0.00 C ATOM 141 OE1 GLN A 10 -2.985 -15.154 2.452 1.00 0.00 O ATOM 142 NE2 GLN A 10 -2.552 -16.782 1.063 1.00 0.00 N ATOM 0 H GLN A 10 0.424 -13.770 -2.066 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.419 -15.051 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.326 -12.686 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.860 -13.533 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.540 -15.379 0.323 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.580 -14.314 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.990 -17.146 0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.298 -17.351 1.463 1.00 0.00 H new ATOM 151 N THR A 11 -4.008 -13.948 -1.710 1.00 0.00 N ATOM 152 CA THR A 11 -5.262 -13.598 -2.436 1.00 0.00 C ATOM 153 C THR A 11 -5.392 -12.071 -2.518 1.00 0.00 C ATOM 154 O THR A 11 -5.440 -11.406 -1.502 1.00 0.00 O ATOM 155 CB THR A 11 -6.474 -14.166 -1.685 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.061 -14.681 -0.428 1.00 0.00 O ATOM 157 CG2 THR A 11 -7.111 -15.284 -2.513 1.00 0.00 C ATOM 0 H THR A 11 -4.138 -14.459 -0.837 1.00 0.00 H new ATOM 0 HA THR A 11 -5.226 -14.022 -3.439 1.00 0.00 H new ATOM 0 HB THR A 11 -7.203 -13.372 -1.526 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.686 -15.578 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.972 -15.687 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.434 -14.885 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.381 -16.077 -2.676 1.00 0.00 H new ATOM 165 N PRO A 12 -5.445 -11.556 -3.724 1.00 0.00 N ATOM 166 CA PRO A 12 -5.569 -10.106 -3.957 1.00 0.00 C ATOM 167 C PRO A 12 -7.013 -9.652 -3.726 1.00 0.00 C ATOM 168 O PRO A 12 -7.951 -10.370 -4.005 1.00 0.00 O ATOM 169 CB PRO A 12 -5.173 -9.942 -5.426 1.00 0.00 C ATOM 170 CG PRO A 12 -5.393 -11.321 -6.093 1.00 0.00 C ATOM 171 CD PRO A 12 -5.388 -12.363 -4.960 1.00 0.00 C ATOM 0 HA PRO A 12 -4.951 -9.509 -3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.779 -9.176 -5.909 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.133 -9.629 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.338 -11.343 -6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.605 -11.532 -6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.241 -13.037 -5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.490 -12.981 -4.991 1.00 0.00 H new ATOM 179 N THR A 13 -7.198 -8.466 -3.214 1.00 0.00 N ATOM 180 CA THR A 13 -8.582 -7.973 -2.966 1.00 0.00 C ATOM 181 C THR A 13 -8.713 -6.536 -3.470 1.00 0.00 C ATOM 182 O THR A 13 -7.732 -5.867 -3.732 1.00 0.00 O ATOM 183 CB THR A 13 -8.876 -8.014 -1.465 1.00 0.00 C ATOM 184 OG1 THR A 13 -10.220 -7.613 -1.238 1.00 0.00 O ATOM 185 CG2 THR A 13 -7.927 -7.065 -0.732 1.00 0.00 C ATOM 0 H THR A 13 -6.453 -7.819 -2.957 1.00 0.00 H new ATOM 0 HA THR A 13 -9.292 -8.609 -3.495 1.00 0.00 H new ATOM 0 HB THR A 13 -8.731 -9.028 -1.092 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.412 -7.640 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.137 -7.095 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.896 -7.373 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.070 -6.050 -1.102 1.00 0.00 H new ATOM 193 N THR A 14 -9.917 -6.055 -3.603 1.00 0.00 N ATOM 194 CA THR A 14 -10.116 -4.661 -4.085 1.00 0.00 C ATOM 195 C THR A 14 -10.379 -3.750 -2.885 1.00 0.00 C ATOM 196 O THR A 14 -10.896 -4.179 -1.872 1.00 0.00 O ATOM 197 CB THR A 14 -11.313 -4.618 -5.037 1.00 0.00 C ATOM 198 OG1 THR A 14 -11.479 -5.892 -5.642 1.00 0.00 O ATOM 199 CG2 THR A 14 -11.071 -3.564 -6.120 1.00 0.00 C ATOM 0 H THR A 14 -10.774 -6.569 -3.398 1.00 0.00 H new ATOM 0 HA THR A 14 -9.225 -4.321 -4.613 1.00 0.00 H new ATOM 0 HB THR A 14 -12.213 -4.360 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.246 -5.867 -6.251 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.925 -3.535 -6.797 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.944 -2.587 -5.655 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.172 -3.819 -6.681 1.00 0.00 H new ATOM 207 N THR A 15 -10.023 -2.499 -2.983 1.00 0.00 N ATOM 208 CA THR A 15 -10.251 -1.575 -1.838 1.00 0.00 C ATOM 209 C THR A 15 -10.591 -0.178 -2.359 1.00 0.00 C ATOM 210 O THR A 15 -9.775 0.486 -2.966 1.00 0.00 O ATOM 211 CB THR A 15 -8.984 -1.502 -0.985 1.00 0.00 C ATOM 212 OG1 THR A 15 -9.249 -0.753 0.193 1.00 0.00 O ATOM 213 CG2 THR A 15 -7.870 -0.825 -1.783 1.00 0.00 C ATOM 0 H THR A 15 -9.586 -2.078 -3.803 1.00 0.00 H new ATOM 0 HA THR A 15 -11.080 -1.947 -1.236 1.00 0.00 H new ATOM 0 HB THR A 15 -8.671 -2.510 -0.711 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.438 -0.707 0.741 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.967 -0.773 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.667 -1.401 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.181 0.183 -2.058 1.00 0.00 H new ATOM 221 N GLY A 16 -11.789 0.276 -2.116 1.00 0.00 N ATOM 222 CA GLY A 16 -12.182 1.635 -2.585 1.00 0.00 C ATOM 223 C GLY A 16 -12.016 2.628 -1.434 1.00 0.00 C ATOM 224 O GLY A 16 -12.894 2.786 -0.609 1.00 0.00 O ATOM 0 H GLY A 16 -12.514 -0.235 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.564 1.934 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.216 1.629 -2.931 1.00 0.00 H new ATOM 228 N CYS A 17 -10.895 3.293 -1.370 1.00 0.00 N ATOM 229 CA CYS A 17 -10.665 4.271 -0.268 1.00 0.00 C ATOM 230 C CYS A 17 -11.935 5.089 -0.026 1.00 0.00 C ATOM 231 O CYS A 17 -12.642 5.447 -0.947 1.00 0.00 O ATOM 232 CB CYS A 17 -9.520 5.209 -0.651 1.00 0.00 C ATOM 233 SG CYS A 17 -8.271 5.200 0.659 1.00 0.00 S ATOM 0 H CYS A 17 -10.127 3.201 -2.035 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.407 3.731 0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.076 4.892 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.898 6.220 -0.801 1.00 0.00 H new ATOM 238 N SER A 18 -12.228 5.388 1.210 1.00 0.00 N ATOM 239 CA SER A 18 -13.449 6.183 1.519 1.00 0.00 C ATOM 240 C SER A 18 -13.359 6.717 2.949 1.00 0.00 C ATOM 241 O SER A 18 -13.771 7.823 3.236 1.00 0.00 O ATOM 242 CB SER A 18 -14.686 5.295 1.381 1.00 0.00 C ATOM 243 OG SER A 18 -15.671 5.979 0.619 1.00 0.00 O ATOM 0 H SER A 18 -11.673 5.115 2.021 1.00 0.00 H new ATOM 0 HA SER A 18 -13.525 7.018 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.421 4.356 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.080 5.045 2.366 1.00 0.00 H new ATOM 0 HG SER A 18 -16.465 5.412 0.527 1.00 0.00 H new ATOM 249 N GLY A 19 -12.818 5.943 3.849 1.00 0.00 N ATOM 250 CA GLY A 19 -12.697 6.412 5.259 1.00 0.00 C ATOM 251 C GLY A 19 -11.420 7.240 5.408 1.00 0.00 C ATOM 252 O GLY A 19 -10.994 7.549 6.503 1.00 0.00 O ATOM 0 H GLY A 19 -12.455 5.007 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.566 7.011 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.672 5.559 5.937 1.00 0.00 H new ATOM 256 N GLY A 20 -10.804 7.600 4.314 1.00 0.00 N ATOM 257 CA GLY A 20 -9.554 8.406 4.394 1.00 0.00 C ATOM 258 C GLY A 20 -9.482 9.360 3.200 1.00 0.00 C ATOM 259 O GLY A 20 -10.211 10.328 3.120 1.00 0.00 O ATOM 0 H GLY A 20 -11.113 7.370 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.533 8.971 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.685 7.748 4.400 1.00 0.00 H new ATOM 263 N GLU A 21 -8.606 9.094 2.270 1.00 0.00 N ATOM 264 CA GLU A 21 -8.486 9.986 1.082 1.00 0.00 C ATOM 265 C GLU A 21 -9.170 9.332 -0.120 1.00 0.00 C ATOM 266 O GLU A 21 -9.868 8.345 0.012 1.00 0.00 O ATOM 267 CB GLU A 21 -7.007 10.216 0.762 1.00 0.00 C ATOM 268 CG GLU A 21 -6.551 11.539 1.381 1.00 0.00 C ATOM 269 CD GLU A 21 -6.971 12.698 0.475 1.00 0.00 C ATOM 270 OE1 GLU A 21 -7.730 12.457 -0.449 1.00 0.00 O ATOM 271 OE2 GLU A 21 -6.527 13.807 0.722 1.00 0.00 O ATOM 0 H GLU A 21 -7.968 8.298 2.281 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.965 10.941 1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.407 9.394 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.856 10.236 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.990 11.660 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.469 11.538 1.510 1.00 0.00 H new ATOM 278 N THR A 22 -8.977 9.874 -1.291 1.00 0.00 N ATOM 279 CA THR A 22 -9.617 9.284 -2.502 1.00 0.00 C ATOM 280 C THR A 22 -8.572 9.133 -3.609 1.00 0.00 C ATOM 281 O THR A 22 -8.630 9.795 -4.626 1.00 0.00 O ATOM 282 CB THR A 22 -10.739 10.206 -2.985 1.00 0.00 C ATOM 283 OG1 THR A 22 -11.664 10.419 -1.928 1.00 0.00 O ATOM 284 CG2 THR A 22 -11.456 9.562 -4.173 1.00 0.00 C ATOM 0 H THR A 22 -8.404 10.700 -1.462 1.00 0.00 H new ATOM 0 HA THR A 22 -10.029 8.306 -2.255 1.00 0.00 H new ATOM 0 HB THR A 22 -10.316 11.162 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.382 11.011 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.255 10.220 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.745 9.401 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.880 8.605 -3.867 1.00 0.00 H new ATOM 292 N ASN A 23 -7.613 8.267 -3.419 1.00 0.00 N ATOM 293 CA ASN A 23 -6.565 8.079 -4.462 1.00 0.00 C ATOM 294 C ASN A 23 -5.999 6.660 -4.367 1.00 0.00 C ATOM 295 O ASN A 23 -6.296 5.923 -3.449 1.00 0.00 O ATOM 296 CB ASN A 23 -5.437 9.089 -4.241 1.00 0.00 C ATOM 297 CG ASN A 23 -6.025 10.496 -4.120 1.00 0.00 C ATOM 298 OD1 ASN A 23 -6.060 11.236 -5.083 1.00 0.00 O ATOM 299 ND2 ASN A 23 -6.488 10.899 -2.969 1.00 0.00 N ATOM 0 H ASN A 23 -7.510 7.683 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.004 8.232 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.881 8.837 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.731 9.049 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.880 11.836 -2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.458 10.277 -2.161 1.00 0.00 H new ATOM 306 N CYS A 24 -5.180 6.275 -5.307 1.00 0.00 N ATOM 307 CA CYS A 24 -4.589 4.907 -5.268 1.00 0.00 C ATOM 308 C CYS A 24 -3.100 5.013 -4.931 1.00 0.00 C ATOM 309 O CYS A 24 -2.409 5.896 -5.400 1.00 0.00 O ATOM 310 CB CYS A 24 -4.761 4.233 -6.631 1.00 0.00 C ATOM 311 SG CYS A 24 -6.524 4.011 -6.975 1.00 0.00 S ATOM 0 H CYS A 24 -4.894 6.849 -6.101 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.095 4.311 -4.508 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.301 4.841 -7.410 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.254 3.268 -6.638 1.00 0.00 H new ATOM 316 N TYR A 25 -2.600 4.126 -4.114 1.00 0.00 N ATOM 317 CA TYR A 25 -1.159 4.188 -3.745 1.00 0.00 C ATOM 318 C TYR A 25 -0.564 2.778 -3.717 1.00 0.00 C ATOM 319 O TYR A 25 -1.243 1.808 -3.447 1.00 0.00 O ATOM 320 CB TYR A 25 -1.018 4.822 -2.360 1.00 0.00 C ATOM 321 CG TYR A 25 0.396 5.319 -2.175 1.00 0.00 C ATOM 322 CD1 TYR A 25 0.982 6.142 -3.146 1.00 0.00 C ATOM 323 CD2 TYR A 25 1.121 4.957 -1.034 1.00 0.00 C ATOM 324 CE1 TYR A 25 2.293 6.602 -2.974 1.00 0.00 C ATOM 325 CE2 TYR A 25 2.433 5.418 -0.863 1.00 0.00 C ATOM 326 CZ TYR A 25 3.018 6.240 -1.833 1.00 0.00 C ATOM 327 OH TYR A 25 4.311 6.694 -1.663 1.00 0.00 O ATOM 0 H TYR A 25 -3.126 3.363 -3.688 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.627 4.787 -4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.722 5.647 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.262 4.092 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.423 6.421 -4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.669 4.323 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.745 7.236 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.993 5.139 0.017 1.00 0.00 H new ATOM 0 HH TYR A 25 4.406 7.084 -0.769 1.00 0.00 H new ATOM 337 N LYS A 26 0.706 2.665 -3.990 1.00 0.00 N ATOM 338 CA LYS A 26 1.367 1.331 -3.977 1.00 0.00 C ATOM 339 C LYS A 26 2.789 1.498 -3.442 1.00 0.00 C ATOM 340 O LYS A 26 3.517 2.375 -3.865 1.00 0.00 O ATOM 341 CB LYS A 26 1.413 0.774 -5.402 1.00 0.00 C ATOM 342 CG LYS A 26 2.199 -0.537 -5.416 1.00 0.00 C ATOM 343 CD LYS A 26 2.247 -1.083 -6.845 1.00 0.00 C ATOM 344 CE LYS A 26 3.175 -2.297 -6.897 1.00 0.00 C ATOM 345 NZ LYS A 26 2.419 -3.519 -6.501 1.00 0.00 N ATOM 0 H LYS A 26 1.319 3.446 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 26 0.811 0.641 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.401 0.607 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.880 1.497 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.210 -0.372 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.729 -1.263 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.246 -1.363 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.602 -0.312 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.579 -2.416 -7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.023 -2.149 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.084 -4.302 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.887 -3.330 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.757 -3.779 -7.260 1.00 0.00 H new ATOM 359 N LYS A 27 3.196 0.684 -2.504 1.00 0.00 N ATOM 360 CA LYS A 27 4.573 0.839 -1.952 1.00 0.00 C ATOM 361 C LYS A 27 5.162 -0.522 -1.581 1.00 0.00 C ATOM 362 O LYS A 27 4.456 -1.467 -1.275 1.00 0.00 O ATOM 363 CB LYS A 27 4.545 1.724 -0.697 1.00 0.00 C ATOM 364 CG LYS A 27 3.226 2.497 -0.618 1.00 0.00 C ATOM 365 CD LYS A 27 2.106 1.550 -0.183 1.00 0.00 C ATOM 366 CE LYS A 27 1.861 1.707 1.319 1.00 0.00 C ATOM 367 NZ LYS A 27 0.402 1.881 1.564 1.00 0.00 N ATOM 0 H LYS A 27 2.643 -0.072 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 27 5.192 1.304 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.666 1.107 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.382 2.422 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.316 3.320 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.990 2.935 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.193 1.771 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.377 0.519 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.229 0.831 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.411 2.567 1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.232 1.988 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.065 2.729 1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.111 1.047 1.213 1.00 0.00 H new ATOM 381 N ARG A 28 6.464 -0.613 -1.589 1.00 0.00 N ATOM 382 CA ARG A 28 7.141 -1.881 -1.222 1.00 0.00 C ATOM 383 C ARG A 28 8.490 -1.539 -0.599 1.00 0.00 C ATOM 384 O ARG A 28 9.045 -0.481 -0.832 1.00 0.00 O ATOM 385 CB ARG A 28 7.340 -2.749 -2.465 1.00 0.00 C ATOM 386 CG ARG A 28 8.401 -3.820 -2.190 1.00 0.00 C ATOM 387 CD ARG A 28 8.656 -4.639 -3.461 1.00 0.00 C ATOM 388 NE ARG A 28 7.436 -4.640 -4.317 1.00 0.00 N ATOM 389 CZ ARG A 28 7.330 -3.798 -5.311 1.00 0.00 C ATOM 390 NH1 ARG A 28 8.120 -2.760 -5.378 1.00 0.00 N ATOM 391 NH2 ARG A 28 6.434 -3.995 -6.239 1.00 0.00 N ATOM 0 H ARG A 28 7.093 0.151 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 28 6.532 -2.439 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.398 -3.221 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.647 -2.129 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.327 -3.350 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.069 -4.475 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.497 -4.219 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.927 -5.661 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 28 6.682 -5.300 -4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.821 -2.605 -4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.036 -2.104 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.817 -4.806 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.351 -3.338 -7.015 1.00 0.00 H new ATOM 405 N TRP A 29 9.008 -2.410 0.212 1.00 0.00 N ATOM 406 CA TRP A 29 10.307 -2.117 0.879 1.00 0.00 C ATOM 407 C TRP A 29 10.929 -3.419 1.390 1.00 0.00 C ATOM 408 O TRP A 29 10.444 -4.501 1.123 1.00 0.00 O ATOM 409 CB TRP A 29 10.053 -1.168 2.058 1.00 0.00 C ATOM 410 CG TRP A 29 8.606 -1.238 2.444 1.00 0.00 C ATOM 411 CD1 TRP A 29 7.968 -2.365 2.825 1.00 0.00 C ATOM 412 CD2 TRP A 29 7.607 -0.177 2.459 1.00 0.00 C ATOM 413 NE1 TRP A 29 6.647 -2.062 3.099 1.00 0.00 N ATOM 414 CE2 TRP A 29 6.375 -0.727 2.887 1.00 0.00 C ATOM 415 CE3 TRP A 29 7.650 1.193 2.157 1.00 0.00 C ATOM 416 CZ2 TRP A 29 5.227 0.057 3.009 1.00 0.00 C ATOM 417 CZ3 TRP A 29 6.497 1.986 2.276 1.00 0.00 C ATOM 418 CH2 TRP A 29 5.287 1.419 2.704 1.00 0.00 C ATOM 0 H TRP A 29 8.592 -3.312 0.444 1.00 0.00 H new ATOM 0 HA TRP A 29 10.992 -1.652 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.681 -1.444 2.905 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.319 -0.147 1.783 1.00 0.00 H new ATOM 0 HD1 TRP A 29 8.417 -3.344 2.903 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.958 -2.743 3.419 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.577 1.641 1.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.298 -0.386 3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.542 3.038 2.037 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.404 2.034 2.797 1.00 0.00 H new ATOM 429 N ARG A 30 11.999 -3.318 2.130 1.00 0.00 N ATOM 430 CA ARG A 30 12.658 -4.540 2.669 1.00 0.00 C ATOM 431 C ARG A 30 13.368 -4.194 3.981 1.00 0.00 C ATOM 432 O ARG A 30 14.581 -4.222 4.066 1.00 0.00 O ATOM 433 CB ARG A 30 13.684 -5.057 1.655 1.00 0.00 C ATOM 434 CG ARG A 30 13.029 -5.174 0.276 1.00 0.00 C ATOM 435 CD ARG A 30 14.035 -5.753 -0.720 1.00 0.00 C ATOM 436 NE ARG A 30 14.752 -4.640 -1.405 1.00 0.00 N ATOM 437 CZ ARG A 30 16.058 -4.629 -1.442 1.00 0.00 C ATOM 438 NH1 ARG A 30 16.689 -5.329 -2.344 1.00 0.00 N ATOM 439 NH2 ARG A 30 16.729 -3.921 -0.576 1.00 0.00 N ATOM 0 H ARG A 30 12.447 -2.438 2.385 1.00 0.00 H new ATOM 0 HA ARG A 30 11.908 -5.310 2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 30 14.537 -4.380 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.065 -6.028 1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.149 -5.814 0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.690 -4.195 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.748 -6.395 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.521 -6.374 -1.453 1.00 0.00 H new ATOM 0 HE ARG A 30 14.223 -3.887 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.163 -5.884 -3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.709 -5.321 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.234 -3.376 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.749 -3.912 -0.605 1.00 0.00 H new ATOM 453 N ASP A 31 12.625 -3.862 5.002 1.00 0.00 N ATOM 454 CA ASP A 31 13.262 -3.510 6.303 1.00 0.00 C ATOM 455 C ASP A 31 12.551 -4.246 7.442 1.00 0.00 C ATOM 456 O ASP A 31 11.541 -4.891 7.242 1.00 0.00 O ATOM 457 CB ASP A 31 13.156 -2.000 6.531 1.00 0.00 C ATOM 458 CG ASP A 31 14.351 -1.299 5.883 1.00 0.00 C ATOM 459 OD1 ASP A 31 15.353 -1.960 5.664 1.00 0.00 O ATOM 460 OD2 ASP A 31 14.245 -0.113 5.618 1.00 0.00 O ATOM 0 H ASP A 31 11.606 -3.819 4.991 1.00 0.00 H new ATOM 0 HA ASP A 31 14.311 -3.804 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.226 -1.622 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.130 -1.784 7.599 1.00 0.00 H new ATOM 465 N HIS A 32 13.073 -4.154 8.634 1.00 0.00 N ATOM 466 CA HIS A 32 12.431 -4.848 9.785 1.00 0.00 C ATOM 467 C HIS A 32 12.270 -6.333 9.451 1.00 0.00 C ATOM 468 O HIS A 32 11.476 -7.033 10.048 1.00 0.00 O ATOM 469 CB HIS A 32 11.057 -4.232 10.058 1.00 0.00 C ATOM 470 CG HIS A 32 11.084 -3.520 11.383 1.00 0.00 C ATOM 471 ND1 HIS A 32 11.831 -2.372 11.590 1.00 0.00 N ATOM 472 CD2 HIS A 32 10.463 -3.783 12.578 1.00 0.00 C ATOM 473 CE1 HIS A 32 11.644 -1.990 12.867 1.00 0.00 C ATOM 474 NE2 HIS A 32 10.818 -2.817 13.514 1.00 0.00 N ATOM 0 H HIS A 32 13.917 -3.628 8.861 1.00 0.00 H new ATOM 0 HA HIS A 32 13.055 -4.737 10.672 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.794 -3.534 9.263 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.293 -5.009 10.066 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.799 -4.614 12.764 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.105 -1.122 13.314 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.513 -2.754 14.485 1.00 0.00 H new ATOM 482 N ARG A 33 13.019 -6.815 8.499 1.00 0.00 N ATOM 483 CA ARG A 33 12.917 -8.250 8.119 1.00 0.00 C ATOM 484 C ARG A 33 13.657 -8.476 6.800 1.00 0.00 C ATOM 485 O ARG A 33 14.542 -9.303 6.706 1.00 0.00 O ATOM 486 CB ARG A 33 11.445 -8.634 7.950 1.00 0.00 C ATOM 487 CG ARG A 33 11.024 -9.557 9.096 1.00 0.00 C ATOM 488 CD ARG A 33 10.260 -10.756 8.532 1.00 0.00 C ATOM 489 NE ARG A 33 9.770 -11.605 9.654 1.00 0.00 N ATOM 490 CZ ARG A 33 8.673 -11.285 10.283 1.00 0.00 C ATOM 491 NH1 ARG A 33 7.518 -11.415 9.689 1.00 0.00 N ATOM 492 NH2 ARG A 33 8.730 -10.832 11.506 1.00 0.00 N ATOM 0 H ARG A 33 13.700 -6.274 7.966 1.00 0.00 H new ATOM 0 HA ARG A 33 13.363 -8.866 8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.823 -7.739 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.296 -9.134 6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.902 -9.897 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.398 -9.013 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.420 -10.414 7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.908 -11.338 7.877 1.00 0.00 H new ATOM 0 HE ARG A 33 10.292 -12.436 9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.473 -11.767 8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.660 -11.165 10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.632 -10.728 11.970 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.872 -10.582 11.998 1.00 0.00 H new ATOM 506 N GLY A 34 13.301 -7.745 5.778 1.00 0.00 N ATOM 507 CA GLY A 34 13.984 -7.918 4.465 1.00 0.00 C ATOM 508 C GLY A 34 12.946 -8.257 3.397 1.00 0.00 C ATOM 509 O GLY A 34 13.215 -8.991 2.467 1.00 0.00 O ATOM 0 H GLY A 34 12.567 -7.036 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.515 -7.005 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.728 -8.712 4.531 1.00 0.00 H new ATOM 513 N TYR A 35 11.759 -7.729 3.523 1.00 0.00 N ATOM 514 CA TYR A 35 10.703 -8.025 2.517 1.00 0.00 C ATOM 515 C TYR A 35 9.340 -7.587 3.072 1.00 0.00 C ATOM 516 O TYR A 35 8.848 -8.132 4.040 1.00 0.00 O ATOM 517 CB TYR A 35 10.712 -9.538 2.213 1.00 0.00 C ATOM 518 CG TYR A 35 9.309 -10.047 1.957 1.00 0.00 C ATOM 519 CD1 TYR A 35 8.517 -10.473 3.030 1.00 0.00 C ATOM 520 CD2 TYR A 35 8.803 -10.091 0.653 1.00 0.00 C ATOM 521 CE1 TYR A 35 7.219 -10.941 2.799 1.00 0.00 C ATOM 522 CE2 TYR A 35 7.503 -10.560 0.422 1.00 0.00 C ATOM 523 CZ TYR A 35 6.712 -10.985 1.496 1.00 0.00 C ATOM 524 OH TYR A 35 5.430 -11.446 1.270 1.00 0.00 O ATOM 0 H TYR A 35 11.476 -7.106 4.279 1.00 0.00 H new ATOM 0 HA TYR A 35 10.892 -7.479 1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.339 -9.734 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.152 -10.079 3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.908 -10.440 4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.414 -9.764 -0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.608 -11.269 3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.111 -10.594 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 35 5.234 -11.410 0.311 1.00 0.00 H new ATOM 534 N ARG A 36 8.727 -6.612 2.458 1.00 0.00 N ATOM 535 CA ARG A 36 7.396 -6.145 2.940 1.00 0.00 C ATOM 536 C ARG A 36 6.656 -5.467 1.785 1.00 0.00 C ATOM 537 O ARG A 36 7.066 -4.437 1.293 1.00 0.00 O ATOM 538 CB ARG A 36 7.584 -5.150 4.087 1.00 0.00 C ATOM 539 CG ARG A 36 7.086 -5.772 5.392 1.00 0.00 C ATOM 540 CD ARG A 36 6.551 -4.671 6.310 1.00 0.00 C ATOM 541 NE ARG A 36 7.664 -3.752 6.682 1.00 0.00 N ATOM 542 CZ ARG A 36 7.408 -2.511 6.995 1.00 0.00 C ATOM 543 NH1 ARG A 36 7.073 -2.203 8.217 1.00 0.00 N ATOM 544 NH2 ARG A 36 7.487 -1.580 6.085 1.00 0.00 N ATOM 0 H ARG A 36 9.091 -6.118 1.643 1.00 0.00 H new ATOM 0 HA ARG A 36 6.816 -6.995 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.636 -4.880 4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.036 -4.231 3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.302 -6.500 5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.897 -6.309 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.759 -4.116 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.113 -5.110 7.206 1.00 0.00 H new ATOM 0 HE ARG A 36 8.625 -4.093 6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.011 -2.932 8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.873 -1.233 8.462 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.749 -1.822 5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.287 -0.610 6.329 1.00 0.00 H new ATOM 558 N THR A 37 5.573 -6.045 1.338 1.00 0.00 N ATOM 559 CA THR A 37 4.818 -5.438 0.204 1.00 0.00 C ATOM 560 C THR A 37 3.489 -4.869 0.707 1.00 0.00 C ATOM 561 O THR A 37 2.868 -5.409 1.600 1.00 0.00 O ATOM 562 CB THR A 37 4.540 -6.517 -0.846 1.00 0.00 C ATOM 563 OG1 THR A 37 3.825 -7.587 -0.243 1.00 0.00 O ATOM 564 CG2 THR A 37 5.864 -7.039 -1.408 1.00 0.00 C ATOM 0 H THR A 37 5.179 -6.910 1.709 1.00 0.00 H new ATOM 0 HA THR A 37 5.409 -4.634 -0.234 1.00 0.00 H new ATOM 0 HB THR A 37 3.947 -6.092 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.445 -8.146 0.271 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.664 -7.807 -2.155 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.413 -6.218 -1.869 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.459 -7.465 -0.600 1.00 0.00 H new ATOM 572 N GLU A 38 3.042 -3.783 0.131 1.00 0.00 N ATOM 573 CA GLU A 38 1.748 -3.187 0.568 1.00 0.00 C ATOM 574 C GLU A 38 1.114 -2.449 -0.612 1.00 0.00 C ATOM 575 O GLU A 38 1.752 -1.659 -1.273 1.00 0.00 O ATOM 576 CB GLU A 38 1.995 -2.205 1.716 1.00 0.00 C ATOM 577 CG GLU A 38 1.488 -2.814 3.024 1.00 0.00 C ATOM 578 CD GLU A 38 1.660 -1.803 4.160 1.00 0.00 C ATOM 579 OE1 GLU A 38 1.764 -0.624 3.866 1.00 0.00 O ATOM 580 OE2 GLU A 38 1.684 -2.227 5.305 1.00 0.00 O ATOM 0 H GLU A 38 3.517 -3.285 -0.622 1.00 0.00 H new ATOM 0 HA GLU A 38 1.078 -3.976 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.059 -1.981 1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.484 -1.262 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.438 -3.091 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.039 -3.727 3.250 1.00 0.00 H new ATOM 587 N ARG A 39 -0.137 -2.704 -0.888 1.00 0.00 N ATOM 588 CA ARG A 39 -0.796 -2.015 -2.034 1.00 0.00 C ATOM 589 C ARG A 39 -2.209 -1.584 -1.634 1.00 0.00 C ATOM 590 O ARG A 39 -3.175 -2.276 -1.889 1.00 0.00 O ATOM 591 CB ARG A 39 -0.875 -2.970 -3.227 1.00 0.00 C ATOM 592 CG ARG A 39 -1.070 -2.164 -4.513 1.00 0.00 C ATOM 593 CD ARG A 39 -1.755 -3.039 -5.564 1.00 0.00 C ATOM 594 NE ARG A 39 -1.417 -2.536 -6.925 1.00 0.00 N ATOM 595 CZ ARG A 39 -0.938 -3.354 -7.822 1.00 0.00 C ATOM 596 NH1 ARG A 39 -1.274 -4.615 -7.802 1.00 0.00 N ATOM 597 NH2 ARG A 39 -0.121 -2.910 -8.739 1.00 0.00 N ATOM 0 H ARG A 39 -0.728 -3.356 -0.372 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.214 -1.135 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.037 -3.564 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.701 -3.668 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.673 -1.279 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.107 -1.815 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.432 -4.075 -5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.835 -3.025 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.560 -1.553 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.911 -4.962 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.899 -5.254 -8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.142 -1.925 -8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.254 -3.549 -9.440 1.00 0.00 H new ATOM 611 N GLY A 40 -2.337 -0.444 -1.014 1.00 0.00 N ATOM 612 CA GLY A 40 -3.687 0.034 -0.605 1.00 0.00 C ATOM 613 C GLY A 40 -3.998 1.346 -1.327 1.00 0.00 C ATOM 614 O GLY A 40 -3.590 1.557 -2.451 1.00 0.00 O ATOM 0 H GLY A 40 -1.565 0.177 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.440 -0.716 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.722 0.182 0.474 1.00 0.00 H new ATOM 618 N CYS A 41 -4.717 2.232 -0.691 1.00 0.00 N ATOM 619 CA CYS A 41 -5.048 3.529 -1.347 1.00 0.00 C ATOM 620 C CYS A 41 -4.387 4.674 -0.577 1.00 0.00 C ATOM 621 O CYS A 41 -3.535 4.460 0.263 1.00 0.00 O ATOM 622 CB CYS A 41 -6.565 3.725 -1.356 1.00 0.00 C ATOM 623 SG CYS A 41 -7.212 3.514 0.321 1.00 0.00 S ATOM 0 H CYS A 41 -5.088 2.114 0.252 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.679 3.522 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.812 4.719 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.031 3.006 -2.030 1.00 0.00 H new ATOM 628 N GLY A 42 -4.771 5.889 -0.856 1.00 0.00 N ATOM 629 CA GLY A 42 -4.165 7.048 -0.139 1.00 0.00 C ATOM 630 C GLY A 42 -3.049 7.655 -0.994 1.00 0.00 C ATOM 631 O GLY A 42 -2.931 7.373 -2.171 1.00 0.00 O ATOM 0 H GLY A 42 -5.479 6.130 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.927 7.799 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.766 6.725 0.822 1.00 0.00 H new ATOM 635 N CYS A 43 -2.229 8.486 -0.411 1.00 0.00 N ATOM 636 CA CYS A 43 -1.119 9.111 -1.187 1.00 0.00 C ATOM 637 C CYS A 43 -0.152 9.807 -0.224 1.00 0.00 C ATOM 638 O CYS A 43 0.011 11.009 -0.273 1.00 0.00 O ATOM 639 CB CYS A 43 -1.692 10.137 -2.165 1.00 0.00 C ATOM 640 SG CYS A 43 -0.590 10.286 -3.595 1.00 0.00 S ATOM 0 H CYS A 43 -2.279 8.760 0.570 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.586 8.340 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.687 9.831 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.800 11.104 -1.673 1.00 0.00 H new ATOM 645 N PRO A 44 0.462 9.020 0.624 1.00 0.00 N ATOM 646 CA PRO A 44 1.426 9.521 1.620 1.00 0.00 C ATOM 647 C PRO A 44 2.772 9.818 0.951 1.00 0.00 C ATOM 648 O PRO A 44 2.845 10.040 -0.242 1.00 0.00 O ATOM 649 CB PRO A 44 1.546 8.361 2.614 1.00 0.00 C ATOM 650 CG PRO A 44 1.107 7.087 1.856 1.00 0.00 C ATOM 651 CD PRO A 44 0.251 7.558 0.666 1.00 0.00 C ATOM 0 HA PRO A 44 1.114 10.450 2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.570 8.264 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.915 8.531 3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.974 6.523 1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.535 6.426 2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.566 7.083 -0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.801 7.311 0.810 1.00 0.00 H new ATOM 659 N SER A 45 3.839 9.819 1.704 1.00 0.00 N ATOM 660 CA SER A 45 5.169 10.092 1.108 1.00 0.00 C ATOM 661 C SER A 45 6.210 9.355 1.945 1.00 0.00 C ATOM 662 O SER A 45 6.112 8.159 2.135 1.00 0.00 O ATOM 663 CB SER A 45 5.438 11.600 1.122 1.00 0.00 C ATOM 664 OG SER A 45 5.304 12.088 2.451 1.00 0.00 O ATOM 0 H SER A 45 3.842 9.642 2.708 1.00 0.00 H new ATOM 0 HA SER A 45 5.211 9.750 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.440 11.806 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.738 12.112 0.462 1.00 0.00 H new ATOM 0 HG SER A 45 5.477 13.052 2.464 1.00 0.00 H new ATOM 670 N VAL A 46 7.190 10.033 2.473 1.00 0.00 N ATOM 671 CA VAL A 46 8.180 9.316 3.308 1.00 0.00 C ATOM 672 C VAL A 46 8.789 8.174 2.484 1.00 0.00 C ATOM 673 O VAL A 46 8.188 7.133 2.311 1.00 0.00 O ATOM 674 CB VAL A 46 7.440 8.766 4.538 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.136 7.511 5.075 1.00 0.00 C ATOM 676 CG2 VAL A 46 7.422 9.836 5.631 1.00 0.00 C ATOM 0 H VAL A 46 7.344 11.035 2.363 1.00 0.00 H new ATOM 0 HA VAL A 46 8.985 9.976 3.630 1.00 0.00 H new ATOM 0 HB VAL A 46 6.423 8.504 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.595 7.139 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.150 6.743 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.159 7.756 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.898 9.453 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.445 10.094 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.910 10.724 5.262 1.00 0.00 H new ATOM 686 N LYS A 47 9.972 8.363 1.968 1.00 0.00 N ATOM 687 CA LYS A 47 10.602 7.287 1.153 1.00 0.00 C ATOM 688 C LYS A 47 12.125 7.377 1.261 1.00 0.00 C ATOM 689 O LYS A 47 12.680 8.421 1.538 1.00 0.00 O ATOM 690 CB LYS A 47 10.189 7.451 -0.312 1.00 0.00 C ATOM 691 CG LYS A 47 10.683 8.802 -0.834 1.00 0.00 C ATOM 692 CD LYS A 47 9.825 9.235 -2.023 1.00 0.00 C ATOM 693 CE LYS A 47 9.828 10.761 -2.126 1.00 0.00 C ATOM 694 NZ LYS A 47 11.029 11.204 -2.888 1.00 0.00 N ATOM 0 H LYS A 47 10.527 9.212 2.075 1.00 0.00 H new ATOM 0 HA LYS A 47 10.271 6.317 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.608 6.643 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.105 7.388 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.631 9.550 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.728 8.728 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.212 8.797 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.805 8.870 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.921 11.105 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.832 11.204 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.032 12.242 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.889 10.888 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.006 10.792 -3.843 1.00 0.00 H new ATOM 708 N ASN A 48 12.801 6.285 1.038 1.00 0.00 N ATOM 709 CA ASN A 48 14.288 6.288 1.119 1.00 0.00 C ATOM 710 C ASN A 48 14.815 4.967 0.561 1.00 0.00 C ATOM 711 O ASN A 48 15.248 4.099 1.294 1.00 0.00 O ATOM 712 CB ASN A 48 14.723 6.441 2.578 1.00 0.00 C ATOM 713 CG ASN A 48 16.237 6.652 2.640 1.00 0.00 C ATOM 714 OD1 ASN A 48 16.967 6.146 1.811 1.00 0.00 O ATOM 715 ND2 ASN A 48 16.742 7.386 3.594 1.00 0.00 N ATOM 0 H ASN A 48 12.384 5.385 0.802 1.00 0.00 H new ATOM 0 HA ASN A 48 14.689 7.120 0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.208 7.286 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.445 5.553 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.750 7.535 3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.129 7.811 4.290 1.00 0.00 H new ATOM 722 N GLY A 49 14.769 4.802 -0.732 1.00 0.00 N ATOM 723 CA GLY A 49 15.252 3.532 -1.341 1.00 0.00 C ATOM 724 C GLY A 49 14.052 2.621 -1.600 1.00 0.00 C ATOM 725 O GLY A 49 14.084 1.760 -2.456 1.00 0.00 O ATOM 0 H GLY A 49 14.417 5.494 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.778 3.737 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.962 3.041 -0.676 1.00 0.00 H new ATOM 729 N ILE A 50 12.992 2.812 -0.864 1.00 0.00 N ATOM 730 CA ILE A 50 11.781 1.973 -1.056 1.00 0.00 C ATOM 731 C ILE A 50 11.181 2.253 -2.435 1.00 0.00 C ATOM 732 O ILE A 50 11.750 2.966 -3.238 1.00 0.00 O ATOM 733 CB ILE A 50 10.762 2.325 0.026 1.00 0.00 C ATOM 734 CG1 ILE A 50 10.205 3.725 -0.242 1.00 0.00 C ATOM 735 CG2 ILE A 50 11.443 2.302 1.397 1.00 0.00 C ATOM 736 CD1 ILE A 50 9.044 4.006 0.714 1.00 0.00 C ATOM 0 H ILE A 50 12.915 3.519 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 50 12.045 0.918 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 50 9.950 1.598 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.988 4.471 -0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.866 3.801 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.716 2.553 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.845 1.307 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.254 3.030 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.648 5.003 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.258 3.267 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.398 3.948 1.743 1.00 0.00 H new ATOM 748 N GLU A 51 10.032 1.701 -2.717 1.00 0.00 N ATOM 749 CA GLU A 51 9.395 1.940 -4.044 1.00 0.00 C ATOM 750 C GLU A 51 7.942 2.364 -3.839 1.00 0.00 C ATOM 751 O GLU A 51 7.136 1.612 -3.335 1.00 0.00 O ATOM 752 CB GLU A 51 9.436 0.651 -4.869 1.00 0.00 C ATOM 753 CG GLU A 51 10.554 0.746 -5.909 1.00 0.00 C ATOM 754 CD GLU A 51 9.945 0.865 -7.307 1.00 0.00 C ATOM 755 OE1 GLU A 51 8.768 1.171 -7.395 1.00 0.00 O ATOM 756 OE2 GLU A 51 10.668 0.649 -8.267 1.00 0.00 O ATOM 0 H GLU A 51 9.507 1.095 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 51 9.935 2.727 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.604 -0.206 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.478 0.492 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.185 1.610 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.192 -0.136 -5.853 1.00 0.00 H new ATOM 763 N ILE A 52 7.598 3.564 -4.224 1.00 0.00 N ATOM 764 CA ILE A 52 6.192 4.028 -4.043 1.00 0.00 C ATOM 765 C ILE A 52 5.609 4.456 -5.392 1.00 0.00 C ATOM 766 O ILE A 52 6.326 4.728 -6.334 1.00 0.00 O ATOM 767 CB ILE A 52 6.160 5.219 -3.081 1.00 0.00 C ATOM 768 CG1 ILE A 52 7.447 6.039 -3.235 1.00 0.00 C ATOM 769 CG2 ILE A 52 6.033 4.713 -1.641 1.00 0.00 C ATOM 770 CD1 ILE A 52 8.603 5.341 -2.513 1.00 0.00 C ATOM 0 H ILE A 52 8.228 4.241 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 52 5.599 3.210 -3.633 1.00 0.00 H new ATOM 0 HB ILE A 52 5.303 5.851 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.687 6.159 -4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.302 7.039 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.010 5.562 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.112 4.139 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.886 4.078 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.513 5.930 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.365 5.244 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.756 4.351 -2.943 1.00 0.00 H new ATOM 782 N ASN A 53 4.308 4.522 -5.486 1.00 0.00 N ATOM 783 CA ASN A 53 3.667 4.937 -6.767 1.00 0.00 C ATOM 784 C ASN A 53 2.238 5.407 -6.485 1.00 0.00 C ATOM 785 O ASN A 53 1.408 4.651 -6.020 1.00 0.00 O ATOM 786 CB ASN A 53 3.634 3.750 -7.732 1.00 0.00 C ATOM 787 CG ASN A 53 5.045 3.474 -8.254 1.00 0.00 C ATOM 788 OD1 ASN A 53 5.829 2.815 -7.602 1.00 0.00 O ATOM 789 ND2 ASN A 53 5.403 3.955 -9.413 1.00 0.00 N ATOM 0 H ASN A 53 3.660 4.306 -4.729 1.00 0.00 H new ATOM 0 HA ASN A 53 4.239 5.749 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.244 2.867 -7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.963 3.963 -8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.341 3.777 -9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.744 4.509 -9.961 1.00 0.00 H new ATOM 796 N CYS A 54 1.944 6.650 -6.755 1.00 0.00 N ATOM 797 CA CYS A 54 0.569 7.164 -6.495 1.00 0.00 C ATOM 798 C CYS A 54 -0.113 7.502 -7.823 1.00 0.00 C ATOM 799 O CYS A 54 0.488 8.065 -8.715 1.00 0.00 O ATOM 800 CB CYS A 54 0.651 8.424 -5.631 1.00 0.00 C ATOM 801 SG CYS A 54 -0.824 8.542 -4.588 1.00 0.00 S ATOM 0 H CYS A 54 2.596 7.331 -7.144 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.010 6.401 -5.974 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.546 8.394 -5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.732 9.307 -6.265 1.00 0.00 H new ATOM 806 N CYS A 55 -1.367 7.162 -7.961 1.00 0.00 N ATOM 807 CA CYS A 55 -2.084 7.466 -9.232 1.00 0.00 C ATOM 808 C CYS A 55 -3.584 7.593 -8.954 1.00 0.00 C ATOM 809 O CYS A 55 -4.076 7.153 -7.933 1.00 0.00 O ATOM 810 CB CYS A 55 -1.848 6.337 -10.237 1.00 0.00 C ATOM 811 SG CYS A 55 -2.409 6.862 -11.876 1.00 0.00 S ATOM 0 H CYS A 55 -1.924 6.688 -7.250 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.708 8.403 -9.644 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.789 6.079 -10.268 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.385 5.441 -9.927 1.00 0.00 H new ATOM 816 N THR A 56 -4.316 8.191 -9.855 1.00 0.00 N ATOM 817 CA THR A 56 -5.782 8.345 -9.641 1.00 0.00 C ATOM 818 C THR A 56 -6.468 8.601 -10.986 1.00 0.00 C ATOM 819 O THR A 56 -6.691 9.730 -11.374 1.00 0.00 O ATOM 820 CB THR A 56 -6.041 9.527 -8.704 1.00 0.00 C ATOM 821 OG1 THR A 56 -5.165 10.594 -9.039 1.00 0.00 O ATOM 822 CG2 THR A 56 -5.794 9.097 -7.257 1.00 0.00 C ATOM 0 H THR A 56 -3.962 8.579 -10.729 1.00 0.00 H new ATOM 0 HA THR A 56 -6.182 7.434 -9.195 1.00 0.00 H new ATOM 0 HB THR A 56 -7.074 9.857 -8.811 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.250 10.800 -9.993 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.979 9.939 -6.591 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.466 8.278 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.761 8.767 -7.147 1.00 0.00 H new ATOM 830 N THR A 57 -6.802 7.561 -11.702 1.00 0.00 N ATOM 831 CA THR A 57 -7.469 7.749 -13.022 1.00 0.00 C ATOM 832 C THR A 57 -8.194 6.461 -13.418 1.00 0.00 C ATOM 833 O THR A 57 -7.984 5.925 -14.488 1.00 0.00 O ATOM 834 CB THR A 57 -6.415 8.086 -14.079 1.00 0.00 C ATOM 835 OG1 THR A 57 -5.126 8.063 -13.480 1.00 0.00 O ATOM 836 CG2 THR A 57 -6.688 9.476 -14.655 1.00 0.00 C ATOM 0 H THR A 57 -6.642 6.591 -11.430 1.00 0.00 H new ATOM 0 HA THR A 57 -8.190 8.563 -12.952 1.00 0.00 H new ATOM 0 HB THR A 57 -6.458 7.351 -14.883 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.448 8.277 -14.154 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.935 9.712 -15.407 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.677 9.492 -15.113 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.647 10.216 -13.855 1.00 0.00 H new ATOM 844 N ASP A 58 -9.048 5.961 -12.567 1.00 0.00 N ATOM 845 CA ASP A 58 -9.785 4.708 -12.901 1.00 0.00 C ATOM 846 C ASP A 58 -8.812 3.527 -12.892 1.00 0.00 C ATOM 847 O ASP A 58 -7.962 3.415 -13.751 1.00 0.00 O ATOM 848 CB ASP A 58 -10.411 4.843 -14.291 1.00 0.00 C ATOM 849 CG ASP A 58 -11.935 4.858 -14.167 1.00 0.00 C ATOM 850 OD1 ASP A 58 -12.458 5.828 -13.642 1.00 0.00 O ATOM 851 OD2 ASP A 58 -12.554 3.901 -14.599 1.00 0.00 O ATOM 0 H ASP A 58 -9.267 6.365 -11.656 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.569 4.538 -12.163 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.066 5.760 -14.769 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.096 4.014 -14.925 1.00 0.00 H new ATOM 856 N ARG A 59 -8.943 2.652 -11.922 1.00 0.00 N ATOM 857 CA ARG A 59 -8.042 1.460 -11.820 1.00 0.00 C ATOM 858 C ARG A 59 -6.655 1.781 -12.384 1.00 0.00 C ATOM 859 O ARG A 59 -6.138 1.074 -13.226 1.00 0.00 O ATOM 860 CB ARG A 59 -8.651 0.280 -12.587 1.00 0.00 C ATOM 861 CG ARG A 59 -8.631 0.562 -14.091 1.00 0.00 C ATOM 862 CD ARG A 59 -10.053 0.853 -14.576 1.00 0.00 C ATOM 863 NE ARG A 59 -10.697 -0.417 -15.016 1.00 0.00 N ATOM 864 CZ ARG A 59 -10.548 -0.834 -16.244 1.00 0.00 C ATOM 865 NH1 ARG A 59 -11.384 -0.449 -17.170 1.00 0.00 N ATOM 866 NH2 ARG A 59 -9.565 -1.638 -16.546 1.00 0.00 N ATOM 0 H ARG A 59 -9.647 2.715 -11.186 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.938 1.195 -10.768 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.091 -0.630 -12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.675 0.110 -12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.982 1.412 -14.304 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.221 -0.294 -14.627 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.635 1.310 -13.776 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.029 1.566 -15.400 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.255 -0.961 -14.357 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.153 0.178 -16.934 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.268 -0.775 -18.130 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.913 -1.941 -15.822 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.449 -1.964 -17.506 1.00 0.00 H new ATOM 880 N CYS A 60 -6.047 2.842 -11.924 1.00 0.00 N ATOM 881 CA CYS A 60 -4.693 3.202 -12.433 1.00 0.00 C ATOM 882 C CYS A 60 -3.629 2.499 -11.586 1.00 0.00 C ATOM 883 O CYS A 60 -2.452 2.554 -11.882 1.00 0.00 O ATOM 884 CB CYS A 60 -4.495 4.716 -12.340 1.00 0.00 C ATOM 885 SG CYS A 60 -2.806 5.133 -12.843 1.00 0.00 S ATOM 0 H CYS A 60 -6.429 3.473 -11.220 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.602 2.888 -13.473 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.214 5.228 -12.980 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.677 5.056 -11.320 1.00 0.00 H new ATOM 890 N ASN A 61 -4.032 1.839 -10.534 1.00 0.00 N ATOM 891 CA ASN A 61 -3.043 1.136 -9.670 1.00 0.00 C ATOM 892 C ASN A 61 -2.101 0.302 -10.542 1.00 0.00 C ATOM 893 O ASN A 61 -2.523 -0.368 -11.463 1.00 0.00 O ATOM 894 CB ASN A 61 -3.782 0.216 -8.696 1.00 0.00 C ATOM 895 CG ASN A 61 -4.757 -0.669 -9.474 1.00 0.00 C ATOM 896 OD1 ASN A 61 -4.359 -1.398 -10.360 1.00 0.00 O ATOM 897 ND2 ASN A 61 -6.028 -0.635 -9.178 1.00 0.00 N ATOM 0 H ASN A 61 -5.004 1.757 -10.236 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.464 1.871 -9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.069 -0.402 -8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.322 0.808 -7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.687 -1.221 -9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.362 -0.023 -8.434 1.00 0.00 H new ATOM 904 N ASN A 62 -0.828 0.335 -10.254 1.00 0.00 N ATOM 905 CA ASN A 62 0.142 -0.456 -11.064 1.00 0.00 C ATOM 906 C ASN A 62 1.567 -0.109 -10.631 1.00 0.00 C ATOM 907 O ASN A 62 1.773 1.007 -10.184 1.00 0.00 O ATOM 908 CB ASN A 62 -0.034 -0.122 -12.546 1.00 0.00 C ATOM 909 CG ASN A 62 -0.615 -1.333 -13.279 1.00 0.00 C ATOM 910 OD1 ASN A 62 -1.765 -1.327 -13.668 1.00 0.00 O ATOM 911 ND2 ASN A 62 0.139 -2.379 -13.487 1.00 0.00 N ATOM 912 OXT ASN A 62 2.428 -0.965 -10.754 1.00 0.00 O ATOM 0 H ASN A 62 -0.418 0.876 -9.493 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.039 -1.520 -10.909 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.696 0.737 -12.660 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.925 0.155 -12.983 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.238 -3.191 -13.976 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.105 -2.384 -13.160 1.00 0.00 H new TER 919 ASN A 62