USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 ASN : amide:sc= -0.0667 X(o=-0.067,f=0.014) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 152:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 75 THR OG1 : rot 170:sc= 0.492 USER MOD Single : A 78 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.44) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.144) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= -1.4 (180deg=-3.95!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 91 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.52) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 68:sc= 0.742 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.9!) USER MOD Single : A 111 SER OG : rot -139:sc= -0.575 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot -159:sc= -0.505 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.969 -10.523 0.754 1.00 0.00 N ATOM 2 CA LEU A 71 17.681 -10.954 -0.444 1.00 0.00 C ATOM 3 C LEU A 71 18.083 -9.758 -1.300 1.00 0.00 C ATOM 4 O LEU A 71 17.409 -8.731 -1.301 1.00 0.00 O ATOM 5 CB LEU A 71 16.813 -11.912 -1.262 1.00 0.00 C ATOM 6 CG LEU A 71 17.576 -13.030 -1.977 1.00 0.00 C ATOM 7 CD1 LEU A 71 17.511 -14.320 -1.174 1.00 0.00 C ATOM 8 CD2 LEU A 71 17.020 -13.244 -3.378 1.00 0.00 C ATOM 0 HA LEU A 71 18.587 -11.473 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 71 16.074 -12.363 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.264 -11.335 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 71 18.621 -12.732 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 71 18.059 -15.103 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.957 -14.160 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.471 -14.623 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.574 -14.042 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.967 -13.519 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.120 -12.324 -3.954 1.00 0.00 H new ATOM 20 N SER A 72 19.185 -9.901 -2.029 1.00 0.00 N ATOM 21 CA SER A 72 19.674 -8.831 -2.891 1.00 0.00 C ATOM 22 C SER A 72 18.913 -8.809 -4.213 1.00 0.00 C ATOM 23 O SER A 72 18.861 -9.809 -4.926 1.00 0.00 O ATOM 24 CB SER A 72 21.172 -9.003 -3.153 1.00 0.00 C ATOM 25 OG SER A 72 21.780 -9.788 -2.143 1.00 0.00 O ATOM 0 H SER A 72 19.756 -10.746 -2.040 1.00 0.00 H new ATOM 0 HA SER A 72 19.509 -7.882 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 72 21.323 -9.474 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.651 -8.025 -3.196 1.00 0.00 H new ATOM 0 HG SER A 72 22.736 -9.884 -2.335 1.00 0.00 H new ATOM 31 N CYS A 73 18.323 -7.660 -4.531 1.00 0.00 N ATOM 32 CA CYS A 73 17.564 -7.511 -5.769 1.00 0.00 C ATOM 33 C CYS A 73 18.085 -6.336 -6.591 1.00 0.00 C ATOM 34 O CYS A 73 18.753 -5.444 -6.064 1.00 0.00 O ATOM 35 CB CYS A 73 16.074 -7.326 -5.461 1.00 0.00 C ATOM 36 SG CYS A 73 15.646 -5.706 -4.739 1.00 0.00 S ATOM 0 H CYS A 73 18.356 -6.822 -3.951 1.00 0.00 H new ATOM 0 HA CYS A 73 17.692 -8.420 -6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.506 -7.461 -6.382 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.758 -8.111 -4.774 1.00 0.00 H new ATOM 41 N LEU A 74 17.775 -6.340 -7.883 1.00 0.00 N ATOM 42 CA LEU A 74 18.213 -5.274 -8.777 1.00 0.00 C ATOM 43 C LEU A 74 17.141 -4.197 -8.903 1.00 0.00 C ATOM 44 O LEU A 74 15.995 -4.482 -9.251 1.00 0.00 O ATOM 45 CB LEU A 74 18.544 -5.842 -10.157 1.00 0.00 C ATOM 46 CG LEU A 74 19.961 -6.401 -10.304 1.00 0.00 C ATOM 47 CD1 LEU A 74 19.947 -7.921 -10.233 1.00 0.00 C ATOM 48 CD2 LEU A 74 20.590 -5.933 -11.607 1.00 0.00 C ATOM 0 H LEU A 74 17.223 -7.069 -8.334 1.00 0.00 H new ATOM 0 HA LEU A 74 19.110 -4.823 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.832 -6.634 -10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.400 -5.058 -10.900 1.00 0.00 H new ATOM 0 HG LEU A 74 20.564 -6.024 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.964 -8.300 -10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.541 -8.237 -9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 74 19.326 -8.317 -11.037 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.597 -6.341 -11.692 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.986 -6.278 -12.447 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.638 -4.844 -11.617 1.00 0.00 H new ATOM 60 N THR A 75 17.524 -2.956 -8.620 1.00 0.00 N ATOM 61 CA THR A 75 16.600 -1.831 -8.703 1.00 0.00 C ATOM 62 C THR A 75 16.077 -1.665 -10.127 1.00 0.00 C ATOM 63 O THR A 75 16.592 -2.284 -11.059 1.00 0.00 O ATOM 64 CB THR A 75 17.296 -0.546 -8.247 1.00 0.00 C ATOM 65 OG1 THR A 75 18.201 -0.089 -9.235 1.00 0.00 O ATOM 66 CG2 THR A 75 18.070 -0.712 -6.956 1.00 0.00 C ATOM 0 H THR A 75 18.469 -2.704 -8.331 1.00 0.00 H new ATOM 0 HA THR A 75 15.753 -2.032 -8.046 1.00 0.00 H new ATOM 0 HB THR A 75 16.495 0.175 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 75 18.514 0.810 -9.001 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.539 0.235 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.390 -1.017 -6.161 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.839 -1.473 -7.088 1.00 0.00 H new ATOM 74 N PRO A 76 15.045 -0.823 -10.322 1.00 0.00 N ATOM 75 CA PRO A 76 14.465 -0.586 -11.646 1.00 0.00 C ATOM 76 C PRO A 76 15.523 -0.199 -12.675 1.00 0.00 C ATOM 77 O PRO A 76 15.350 -0.420 -13.873 1.00 0.00 O ATOM 78 CB PRO A 76 13.494 0.573 -11.409 1.00 0.00 C ATOM 79 CG PRO A 76 13.133 0.468 -9.969 1.00 0.00 C ATOM 80 CD PRO A 76 14.364 -0.040 -9.273 1.00 0.00 C ATOM 0 HA PRO A 76 13.987 -1.478 -12.050 1.00 0.00 H new ATOM 0 HB2 PRO A 76 13.960 1.533 -11.633 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.613 0.490 -12.046 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.830 1.436 -9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.294 -0.213 -9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.988 0.777 -8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.113 -0.656 -8.409 1.00 0.00 H new ATOM 88 N ASP A 77 16.622 0.377 -12.196 1.00 0.00 N ATOM 89 CA ASP A 77 17.714 0.789 -13.070 1.00 0.00 C ATOM 90 C ASP A 77 18.815 -0.272 -13.113 1.00 0.00 C ATOM 91 O ASP A 77 19.885 -0.043 -13.677 1.00 0.00 O ATOM 92 CB ASP A 77 18.292 2.126 -12.598 1.00 0.00 C ATOM 93 CG ASP A 77 18.113 3.228 -13.625 1.00 0.00 C ATOM 94 OD1 ASP A 77 18.826 3.206 -14.650 1.00 0.00 O ATOM 95 OD2 ASP A 77 17.259 4.113 -13.403 1.00 0.00 O ATOM 0 H ASP A 77 16.779 0.569 -11.207 1.00 0.00 H new ATOM 0 HA ASP A 77 17.315 0.907 -14.077 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.808 2.419 -11.666 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.353 2.004 -12.381 1.00 0.00 H new ATOM 100 N ASN A 78 18.548 -1.432 -12.515 1.00 0.00 N ATOM 101 CA ASN A 78 19.515 -2.526 -12.487 1.00 0.00 C ATOM 102 C ASN A 78 20.685 -2.197 -11.564 1.00 0.00 C ATOM 103 O ASN A 78 21.840 -2.479 -11.884 1.00 0.00 O ATOM 104 CB ASN A 78 20.030 -2.828 -13.897 1.00 0.00 C ATOM 105 CG ASN A 78 18.909 -2.910 -14.916 1.00 0.00 C ATOM 106 OD1 ASN A 78 18.668 -1.965 -15.668 1.00 0.00 O ATOM 107 ND2 ASN A 78 18.218 -4.043 -14.947 1.00 0.00 N ATOM 0 H ASN A 78 17.668 -1.638 -12.043 1.00 0.00 H new ATOM 0 HA ASN A 78 19.007 -3.410 -12.101 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.735 -2.053 -14.197 1.00 0.00 H new ATOM 0 HB3 ASN A 78 20.578 -3.770 -13.887 1.00 0.00 H new ATOM 0 HD21 ASN A 78 17.453 -4.156 -15.612 1.00 0.00 H new ATOM 0 HD22 ASN A 78 18.452 -4.801 -14.305 1.00 0.00 H new ATOM 114 N LYS A 79 20.375 -1.603 -10.417 1.00 0.00 N ATOM 115 CA LYS A 79 21.399 -1.242 -9.445 1.00 0.00 C ATOM 116 C LYS A 79 21.347 -2.176 -8.238 1.00 0.00 C ATOM 117 O LYS A 79 20.266 -2.521 -7.760 1.00 0.00 O ATOM 118 CB LYS A 79 21.216 0.208 -8.995 1.00 0.00 C ATOM 119 CG LYS A 79 22.527 0.951 -8.786 1.00 0.00 C ATOM 120 CD LYS A 79 22.427 2.396 -9.245 1.00 0.00 C ATOM 121 CE LYS A 79 23.797 2.970 -9.573 1.00 0.00 C ATOM 122 NZ LYS A 79 24.577 3.283 -8.343 1.00 0.00 N ATOM 0 H LYS A 79 19.424 -1.362 -10.138 1.00 0.00 H new ATOM 0 HA LYS A 79 22.374 -1.343 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 79 20.622 0.738 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 79 20.648 0.222 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 79 22.799 0.921 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 79 23.323 0.448 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.785 2.457 -10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 79 21.957 2.995 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 79 24.352 2.258 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 79 23.678 3.876 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 25.504 3.672 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 24.060 3.982 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 24.713 2.414 -7.788 1.00 0.00 H new ATOM 136 N PRO A 80 22.515 -2.600 -7.726 1.00 0.00 N ATOM 137 CA PRO A 80 22.584 -3.502 -6.571 1.00 0.00 C ATOM 138 C PRO A 80 21.785 -2.980 -5.381 1.00 0.00 C ATOM 139 O PRO A 80 21.992 -1.855 -4.926 1.00 0.00 O ATOM 140 CB PRO A 80 24.077 -3.542 -6.235 1.00 0.00 C ATOM 141 CG PRO A 80 24.763 -3.204 -7.513 1.00 0.00 C ATOM 142 CD PRO A 80 23.855 -2.244 -8.230 1.00 0.00 C ATOM 0 HA PRO A 80 22.159 -4.481 -6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.326 -2.826 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 80 24.375 -4.526 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 80 25.737 -2.753 -7.325 1.00 0.00 H new ATOM 0 HG3 PRO A 80 24.936 -4.098 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 80 24.107 -1.208 -8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 80 23.921 -2.360 -9.312 1.00 0.00 H new ATOM 150 N GLY A 81 20.875 -3.808 -4.880 1.00 0.00 N ATOM 151 CA GLY A 81 20.059 -3.419 -3.747 1.00 0.00 C ATOM 152 C GLY A 81 19.587 -4.612 -2.940 1.00 0.00 C ATOM 153 O GLY A 81 20.133 -5.707 -3.064 1.00 0.00 O ATOM 0 H GLY A 81 20.688 -4.744 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 81 20.631 -2.751 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.194 -2.858 -4.101 1.00 0.00 H new ATOM 157 N LYS A 82 18.573 -4.398 -2.109 1.00 0.00 N ATOM 158 CA LYS A 82 18.030 -5.465 -1.278 1.00 0.00 C ATOM 159 C LYS A 82 16.506 -5.474 -1.339 1.00 0.00 C ATOM 160 O LYS A 82 15.882 -4.441 -1.568 1.00 0.00 O ATOM 161 CB LYS A 82 18.494 -5.300 0.170 1.00 0.00 C ATOM 162 CG LYS A 82 19.947 -5.689 0.391 1.00 0.00 C ATOM 163 CD LYS A 82 20.134 -6.424 1.709 1.00 0.00 C ATOM 164 CE LYS A 82 21.140 -7.556 1.577 1.00 0.00 C ATOM 165 NZ LYS A 82 22.438 -7.086 1.019 1.00 0.00 N ATOM 0 H LYS A 82 18.111 -3.496 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 82 18.399 -6.416 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.355 -4.262 0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.861 -5.908 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.284 -6.321 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.570 -4.794 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.471 -5.723 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.177 -6.824 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.308 -8.008 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.729 -8.333 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.163 -7.817 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.331 -6.900 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.727 -6.212 1.502 1.00 0.00 H new ATOM 179 N CYS A 83 15.914 -6.644 -1.131 1.00 0.00 N ATOM 180 CA CYS A 83 14.462 -6.780 -1.161 1.00 0.00 C ATOM 181 C CYS A 83 13.920 -7.031 0.240 1.00 0.00 C ATOM 182 O CYS A 83 14.360 -7.951 0.931 1.00 0.00 O ATOM 183 CB CYS A 83 14.052 -7.921 -2.094 1.00 0.00 C ATOM 184 SG CYS A 83 12.251 -8.141 -2.254 1.00 0.00 S ATOM 0 H CYS A 83 16.416 -7.511 -0.940 1.00 0.00 H new ATOM 0 HA CYS A 83 14.039 -5.849 -1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.474 -7.737 -3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.490 -8.850 -1.728 1.00 0.00 H new ATOM 189 N VAL A 84 12.970 -6.200 0.657 1.00 0.00 N ATOM 190 CA VAL A 84 12.373 -6.321 1.981 1.00 0.00 C ATOM 191 C VAL A 84 10.865 -6.108 1.929 1.00 0.00 C ATOM 192 O VAL A 84 10.347 -5.482 1.005 1.00 0.00 O ATOM 193 CB VAL A 84 12.988 -5.310 2.969 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.336 -5.808 3.468 1.00 0.00 C ATOM 195 CG2 VAL A 84 13.125 -3.940 2.321 1.00 0.00 C ATOM 0 H VAL A 84 12.597 -5.434 0.095 1.00 0.00 H new ATOM 0 HA VAL A 84 12.581 -7.333 2.328 1.00 0.00 H new ATOM 0 HB VAL A 84 12.319 -5.214 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.757 -5.083 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.206 -6.764 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.013 -5.934 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.561 -3.242 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.771 -4.014 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.142 -3.581 2.017 1.00 0.00 H new ATOM 205 N ASN A 85 10.165 -6.636 2.930 1.00 0.00 N ATOM 206 CA ASN A 85 8.713 -6.508 3.006 1.00 0.00 C ATOM 207 C ASN A 85 8.283 -5.046 2.890 1.00 0.00 C ATOM 208 O ASN A 85 9.111 -4.158 2.688 1.00 0.00 O ATOM 209 CB ASN A 85 8.197 -7.103 4.319 1.00 0.00 C ATOM 210 CG ASN A 85 7.407 -8.377 4.103 1.00 0.00 C ATOM 211 OD1 ASN A 85 7.964 -9.475 4.105 1.00 0.00 O ATOM 212 ND2 ASN A 85 6.098 -8.239 3.917 1.00 0.00 N ATOM 0 H ASN A 85 10.582 -7.158 3.701 1.00 0.00 H new ATOM 0 HA ASN A 85 8.282 -7.058 2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.040 -7.309 4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.569 -6.370 4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.514 -9.062 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.677 -7.310 3.923 1.00 0.00 H new ATOM 219 N ILE A 86 6.983 -4.808 3.011 1.00 0.00 N ATOM 220 CA ILE A 86 6.438 -3.459 2.915 1.00 0.00 C ATOM 221 C ILE A 86 6.189 -2.854 4.295 1.00 0.00 C ATOM 222 O ILE A 86 5.597 -1.783 4.414 1.00 0.00 O ATOM 223 CB ILE A 86 5.123 -3.450 2.110 1.00 0.00 C ATOM 224 CG1 ILE A 86 3.979 -4.063 2.928 1.00 0.00 C ATOM 225 CG2 ILE A 86 5.308 -4.206 0.805 1.00 0.00 C ATOM 226 CD1 ILE A 86 2.934 -3.055 3.354 1.00 0.00 C ATOM 0 H ILE A 86 6.285 -5.533 3.176 1.00 0.00 H new ATOM 0 HA ILE A 86 7.182 -2.853 2.397 1.00 0.00 H new ATOM 0 HB ILE A 86 4.861 -2.416 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.500 -4.844 2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.393 -4.542 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.374 -4.195 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.092 -3.729 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.591 -5.237 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.156 -3.558 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.400 -2.286 3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.492 -2.593 2.471 1.00 0.00 H new ATOM 238 N LYS A 87 6.636 -3.551 5.333 1.00 0.00 N ATOM 239 CA LYS A 87 6.449 -3.080 6.701 1.00 0.00 C ATOM 240 C LYS A 87 7.758 -3.098 7.485 1.00 0.00 C ATOM 241 O LYS A 87 7.759 -3.309 8.698 1.00 0.00 O ATOM 242 CB LYS A 87 5.406 -3.942 7.416 1.00 0.00 C ATOM 243 CG LYS A 87 5.792 -5.409 7.514 1.00 0.00 C ATOM 244 CD LYS A 87 4.841 -6.293 6.722 1.00 0.00 C ATOM 245 CE LYS A 87 4.792 -7.703 7.287 1.00 0.00 C ATOM 246 NZ LYS A 87 3.977 -8.615 6.436 1.00 0.00 N ATOM 0 H LYS A 87 7.129 -4.441 5.255 1.00 0.00 H new ATOM 0 HA LYS A 87 6.099 -2.049 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.249 -3.549 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.456 -3.860 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.808 -5.544 7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.790 -5.717 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.841 -5.859 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.158 -6.328 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.805 -8.095 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.375 -7.676 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.323 -9.590 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.981 -8.567 6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.057 -8.325 5.440 1.00 0.00 H new ATOM 260 N LYS A 88 8.872 -2.871 6.795 1.00 0.00 N ATOM 261 CA LYS A 88 10.175 -2.860 7.455 1.00 0.00 C ATOM 262 C LYS A 88 11.120 -1.830 6.831 1.00 0.00 C ATOM 263 O LYS A 88 11.922 -1.213 7.533 1.00 0.00 O ATOM 264 CB LYS A 88 10.803 -4.260 7.438 1.00 0.00 C ATOM 265 CG LYS A 88 11.409 -4.675 6.105 1.00 0.00 C ATOM 266 CD LYS A 88 12.580 -5.624 6.312 1.00 0.00 C ATOM 267 CE LYS A 88 13.829 -4.881 6.763 1.00 0.00 C ATOM 268 NZ LYS A 88 14.048 -3.631 5.983 1.00 0.00 N ATOM 0 H LYS A 88 8.900 -2.694 5.791 1.00 0.00 H new ATOM 0 HA LYS A 88 10.015 -2.566 8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.579 -4.303 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.041 -4.988 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.649 -5.158 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.744 -3.791 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.314 -6.375 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.787 -6.155 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.743 -4.637 7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.697 -5.532 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.066 -3.422 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.680 -3.755 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.552 -2.842 6.445 1.00 0.00 H new ATOM 282 N CYS A 89 11.027 -1.641 5.516 1.00 0.00 N ATOM 283 CA CYS A 89 11.882 -0.679 4.828 1.00 0.00 C ATOM 284 C CYS A 89 11.464 0.751 5.161 1.00 0.00 C ATOM 285 O CYS A 89 10.278 1.082 5.145 1.00 0.00 O ATOM 286 CB CYS A 89 11.833 -0.897 3.313 1.00 0.00 C ATOM 287 SG CYS A 89 13.227 -0.144 2.412 1.00 0.00 S ATOM 0 H CYS A 89 10.373 -2.138 4.911 1.00 0.00 H new ATOM 0 HA CYS A 89 12.905 -0.834 5.172 1.00 0.00 H new ATOM 0 HB2 CYS A 89 11.818 -1.968 3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.900 -0.487 2.927 1.00 0.00 H new ATOM 292 N THR A 90 12.445 1.593 5.466 1.00 0.00 N ATOM 293 CA THR A 90 12.181 2.987 5.807 1.00 0.00 C ATOM 294 C THR A 90 11.453 3.702 4.674 1.00 0.00 C ATOM 295 O THR A 90 10.630 4.587 4.914 1.00 0.00 O ATOM 296 CB THR A 90 13.491 3.711 6.124 1.00 0.00 C ATOM 297 OG1 THR A 90 14.430 2.821 6.701 1.00 0.00 O ATOM 298 CG2 THR A 90 13.316 4.876 7.076 1.00 0.00 C ATOM 0 H THR A 90 13.432 1.335 5.484 1.00 0.00 H new ATOM 0 HA THR A 90 11.540 3.002 6.688 1.00 0.00 H new ATOM 0 HB THR A 90 13.847 4.094 5.168 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.261 3.303 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.283 5.345 7.259 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.636 5.606 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 90 12.903 4.517 8.019 1.00 0.00 H new ATOM 306 N HIS A 91 11.759 3.316 3.441 1.00 0.00 N ATOM 307 CA HIS A 91 11.133 3.924 2.273 1.00 0.00 C ATOM 308 C HIS A 91 9.618 3.752 2.313 1.00 0.00 C ATOM 309 O HIS A 91 8.871 4.639 1.898 1.00 0.00 O ATOM 310 CB HIS A 91 11.696 3.310 0.988 1.00 0.00 C ATOM 311 CG HIS A 91 12.768 4.139 0.352 1.00 0.00 C ATOM 312 ND1 HIS A 91 12.763 5.518 0.366 1.00 0.00 N ATOM 313 CD2 HIS A 91 13.886 3.776 -0.322 1.00 0.00 C ATOM 314 CE1 HIS A 91 13.830 5.967 -0.270 1.00 0.00 C ATOM 315 NE2 HIS A 91 14.527 4.931 -0.697 1.00 0.00 N ATOM 0 H HIS A 91 12.437 2.585 3.224 1.00 0.00 H new ATOM 0 HA HIS A 91 11.358 4.990 2.286 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.097 2.321 1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.884 3.171 0.275 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.212 2.767 -0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.088 7.006 -0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 91 15.401 4.980 -1.221 1.00 0.00 H new ATOM 324 N LEU A 92 9.171 2.607 2.815 1.00 0.00 N ATOM 325 CA LEU A 92 7.744 2.321 2.911 1.00 0.00 C ATOM 326 C LEU A 92 7.083 3.211 3.958 1.00 0.00 C ATOM 327 O LEU A 92 5.961 3.683 3.769 1.00 0.00 O ATOM 328 CB LEU A 92 7.520 0.846 3.253 1.00 0.00 C ATOM 329 CG LEU A 92 6.653 0.076 2.255 1.00 0.00 C ATOM 330 CD1 LEU A 92 5.251 0.663 2.203 1.00 0.00 C ATOM 331 CD2 LEU A 92 7.290 0.088 0.874 1.00 0.00 C ATOM 0 H LEU A 92 9.775 1.862 3.162 1.00 0.00 H new ATOM 0 HA LEU A 92 7.287 2.532 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.490 0.354 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.057 0.783 4.238 1.00 0.00 H new ATOM 0 HG LEU A 92 6.580 -0.959 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.648 0.103 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.794 0.601 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.305 1.707 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.659 -0.464 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.395 1.117 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.273 -0.380 0.923 1.00 0.00 H new ATOM 343 N ALA A 93 7.786 3.435 5.062 1.00 0.00 N ATOM 344 CA ALA A 93 7.271 4.269 6.140 1.00 0.00 C ATOM 345 C ALA A 93 7.103 5.714 5.684 1.00 0.00 C ATOM 346 O ALA A 93 6.197 6.416 6.135 1.00 0.00 O ATOM 347 CB ALA A 93 8.194 4.198 7.348 1.00 0.00 C ATOM 0 H ALA A 93 8.715 3.050 5.234 1.00 0.00 H new ATOM 0 HA ALA A 93 6.289 3.889 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.798 4.826 8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.260 3.167 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.187 4.550 7.068 1.00 0.00 H new ATOM 353 N GLU A 94 7.983 6.153 4.792 1.00 0.00 N ATOM 354 CA GLU A 94 7.933 7.516 4.274 1.00 0.00 C ATOM 355 C GLU A 94 6.717 7.713 3.379 1.00 0.00 C ATOM 356 O GLU A 94 6.075 8.764 3.408 1.00 0.00 O ATOM 357 CB GLU A 94 9.212 7.837 3.497 1.00 0.00 C ATOM 358 CG GLU A 94 9.324 9.295 3.084 1.00 0.00 C ATOM 359 CD GLU A 94 9.015 9.512 1.616 1.00 0.00 C ATOM 360 OE1 GLU A 94 9.922 9.304 0.783 1.00 0.00 O ATOM 361 OE2 GLU A 94 7.867 9.888 1.300 1.00 0.00 O ATOM 0 H GLU A 94 8.740 5.585 4.412 1.00 0.00 H new ATOM 0 HA GLU A 94 7.851 8.197 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.075 7.574 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.252 7.211 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.641 9.893 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.332 9.652 3.296 1.00 0.00 H new ATOM 368 N ILE A 95 6.405 6.697 2.583 1.00 0.00 N ATOM 369 CA ILE A 95 5.265 6.757 1.677 1.00 0.00 C ATOM 370 C ILE A 95 3.952 6.799 2.451 1.00 0.00 C ATOM 371 O ILE A 95 2.994 7.450 2.033 1.00 0.00 O ATOM 372 CB ILE A 95 5.245 5.552 0.714 1.00 0.00 C ATOM 373 CG1 ILE A 95 6.598 5.407 0.014 1.00 0.00 C ATOM 374 CG2 ILE A 95 4.128 5.705 -0.308 1.00 0.00 C ATOM 375 CD1 ILE A 95 6.933 3.982 -0.365 1.00 0.00 C ATOM 0 H ILE A 95 6.926 5.821 2.547 1.00 0.00 H new ATOM 0 HA ILE A 95 5.371 7.673 1.095 1.00 0.00 H new ATOM 0 HB ILE A 95 5.058 4.648 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.601 6.024 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.380 5.794 0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.129 4.846 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.169 5.762 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.285 6.616 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.905 3.955 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.963 3.364 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.172 3.598 -1.045 1.00 0.00 H new ATOM 387 N GLU A 96 3.914 6.101 3.580 1.00 0.00 N ATOM 388 CA GLU A 96 2.717 6.058 4.413 1.00 0.00 C ATOM 389 C GLU A 96 2.463 7.410 5.073 1.00 0.00 C ATOM 390 O GLU A 96 1.317 7.791 5.305 1.00 0.00 O ATOM 391 CB GLU A 96 2.855 4.972 5.484 1.00 0.00 C ATOM 392 CG GLU A 96 1.627 4.831 6.369 1.00 0.00 C ATOM 393 CD GLU A 96 1.480 3.436 6.943 1.00 0.00 C ATOM 394 OE1 GLU A 96 1.559 2.462 6.165 1.00 0.00 O ATOM 395 OE2 GLU A 96 1.286 3.317 8.171 1.00 0.00 O ATOM 0 H GLU A 96 4.698 5.557 3.940 1.00 0.00 H new ATOM 0 HA GLU A 96 1.867 5.822 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.054 4.017 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.719 5.197 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.687 5.551 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.737 5.078 5.791 1.00 0.00 H new ATOM 402 N GLU A 97 3.540 8.127 5.374 1.00 0.00 N ATOM 403 CA GLU A 97 3.433 9.437 6.007 1.00 0.00 C ATOM 404 C GLU A 97 2.869 10.468 5.036 1.00 0.00 C ATOM 405 O GLU A 97 2.187 11.410 5.441 1.00 0.00 O ATOM 406 CB GLU A 97 4.803 9.894 6.514 1.00 0.00 C ATOM 407 CG GLU A 97 5.261 9.167 7.768 1.00 0.00 C ATOM 408 CD GLU A 97 4.622 9.719 9.027 1.00 0.00 C ATOM 409 OE1 GLU A 97 3.521 9.253 9.389 1.00 0.00 O ATOM 410 OE2 GLU A 97 5.223 10.619 9.652 1.00 0.00 O ATOM 0 H GLU A 97 4.496 7.824 5.190 1.00 0.00 H new ATOM 0 HA GLU A 97 2.750 9.349 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.541 9.743 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.768 10.964 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.021 8.108 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.345 9.242 7.852 1.00 0.00 H new ATOM 417 N ASP A 98 3.154 10.284 3.751 1.00 0.00 N ATOM 418 CA ASP A 98 2.674 11.200 2.722 1.00 0.00 C ATOM 419 C ASP A 98 1.502 10.591 1.954 1.00 0.00 C ATOM 420 O ASP A 98 1.699 9.856 0.987 1.00 0.00 O ATOM 421 CB ASP A 98 3.807 11.547 1.754 1.00 0.00 C ATOM 422 CG ASP A 98 4.701 12.650 2.283 1.00 0.00 C ATOM 423 OD1 ASP A 98 5.607 12.345 3.087 1.00 0.00 O ATOM 424 OD2 ASP A 98 4.496 13.819 1.894 1.00 0.00 O ATOM 0 H ASP A 98 3.715 9.509 3.397 1.00 0.00 H new ATOM 0 HA ASP A 98 2.330 12.111 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.406 10.656 1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.383 11.854 0.798 1.00 0.00 H new ATOM 429 N PRO A 99 0.260 10.891 2.377 1.00 0.00 N ATOM 430 CA PRO A 99 -0.942 10.367 1.721 1.00 0.00 C ATOM 431 C PRO A 99 -1.151 10.966 0.333 1.00 0.00 C ATOM 432 O PRO A 99 -0.655 12.053 0.034 1.00 0.00 O ATOM 433 CB PRO A 99 -2.074 10.788 2.660 1.00 0.00 C ATOM 434 CG PRO A 99 -1.548 11.984 3.374 1.00 0.00 C ATOM 435 CD PRO A 99 -0.070 11.760 3.522 1.00 0.00 C ATOM 0 HA PRO A 99 -0.882 9.290 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.981 11.026 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.327 9.990 3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -1.750 12.895 2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.025 12.099 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.484 12.698 3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.171 11.282 4.472 1.00 0.00 H new ATOM 443 N ILE A 100 -1.885 10.249 -0.511 1.00 0.00 N ATOM 444 CA ILE A 100 -2.160 10.709 -1.867 1.00 0.00 C ATOM 445 C ILE A 100 -0.869 10.855 -2.669 1.00 0.00 C ATOM 446 O ILE A 100 0.205 11.059 -2.104 1.00 0.00 O ATOM 447 CB ILE A 100 -2.906 12.058 -1.865 1.00 0.00 C ATOM 448 CG1 ILE A 100 -4.115 11.998 -0.930 1.00 0.00 C ATOM 449 CG2 ILE A 100 -3.337 12.427 -3.276 1.00 0.00 C ATOM 450 CD1 ILE A 100 -4.590 13.357 -0.469 1.00 0.00 C ATOM 0 H ILE A 100 -2.300 9.347 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.793 9.955 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.228 12.830 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.933 11.490 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.860 11.396 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.862 13.382 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.458 12.509 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.000 11.655 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.450 13.238 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.787 13.860 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.877 13.955 -1.334 1.00 0.00 H new ATOM 462 N GLY A 101 -0.985 10.749 -3.989 1.00 0.00 N ATOM 463 CA GLY A 101 0.179 10.871 -4.848 1.00 0.00 C ATOM 464 C GLY A 101 0.401 9.640 -5.704 1.00 0.00 C ATOM 465 O GLY A 101 0.950 8.643 -5.238 1.00 0.00 O ATOM 0 H GLY A 101 -1.864 10.581 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.061 11.742 -5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.062 11.047 -4.234 1.00 0.00 H new ATOM 469 N GLU A 102 -0.029 9.709 -6.960 1.00 0.00 N ATOM 470 CA GLU A 102 0.126 8.589 -7.882 1.00 0.00 C ATOM 471 C GLU A 102 1.598 8.341 -8.204 1.00 0.00 C ATOM 472 O GLU A 102 1.982 7.235 -8.583 1.00 0.00 O ATOM 473 CB GLU A 102 -0.650 8.855 -9.172 1.00 0.00 C ATOM 474 CG GLU A 102 -2.091 8.373 -9.126 1.00 0.00 C ATOM 475 CD GLU A 102 -3.081 9.508 -8.945 1.00 0.00 C ATOM 476 OE1 GLU A 102 -2.940 10.265 -7.963 1.00 0.00 O ATOM 477 OE2 GLU A 102 -3.995 9.638 -9.786 1.00 0.00 O ATOM 0 H GLU A 102 -0.487 10.527 -7.362 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.274 7.698 -7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.640 9.925 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.138 8.366 -10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.321 7.839 -10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.206 7.662 -8.308 1.00 0.00 H new ATOM 484 N ASP A 103 2.418 9.378 -8.055 1.00 0.00 N ATOM 485 CA ASP A 103 3.846 9.270 -8.336 1.00 0.00 C ATOM 486 C ASP A 103 4.506 8.221 -7.449 1.00 0.00 C ATOM 487 O ASP A 103 5.288 7.396 -7.925 1.00 0.00 O ATOM 488 CB ASP A 103 4.527 10.625 -8.137 1.00 0.00 C ATOM 489 CG ASP A 103 4.241 11.223 -6.773 1.00 0.00 C ATOM 490 OD1 ASP A 103 4.849 10.762 -5.783 1.00 0.00 O ATOM 491 OD2 ASP A 103 3.409 12.150 -6.695 1.00 0.00 O ATOM 0 H ASP A 103 2.118 10.301 -7.742 1.00 0.00 H new ATOM 0 HA ASP A 103 3.961 8.958 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.604 10.509 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.190 11.315 -8.911 1.00 0.00 H new ATOM 496 N GLU A 104 4.192 8.258 -6.163 1.00 0.00 N ATOM 497 CA GLU A 104 4.760 7.311 -5.209 1.00 0.00 C ATOM 498 C GLU A 104 4.302 5.888 -5.514 1.00 0.00 C ATOM 499 O GLU A 104 5.033 4.926 -5.277 1.00 0.00 O ATOM 500 CB GLU A 104 4.376 7.696 -3.777 1.00 0.00 C ATOM 501 CG GLU A 104 2.910 7.465 -3.446 1.00 0.00 C ATOM 502 CD GLU A 104 2.251 8.684 -2.829 1.00 0.00 C ATOM 503 OE1 GLU A 104 2.679 9.814 -3.144 1.00 0.00 O ATOM 504 OE2 GLU A 104 1.307 8.508 -2.032 1.00 0.00 O ATOM 0 H GLU A 104 3.547 8.933 -5.753 1.00 0.00 H new ATOM 0 HA GLU A 104 5.845 7.348 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.989 7.124 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.612 8.748 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.376 7.189 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.825 6.624 -2.758 1.00 0.00 H new ATOM 511 N THR A 105 3.088 5.759 -6.042 1.00 0.00 N ATOM 512 CA THR A 105 2.537 4.452 -6.377 1.00 0.00 C ATOM 513 C THR A 105 3.236 3.864 -7.598 1.00 0.00 C ATOM 514 O THR A 105 3.351 2.647 -7.733 1.00 0.00 O ATOM 515 CB THR A 105 1.034 4.558 -6.636 1.00 0.00 C ATOM 516 OG1 THR A 105 0.414 5.375 -5.659 1.00 0.00 O ATOM 517 CG2 THR A 105 0.329 3.219 -6.629 1.00 0.00 C ATOM 0 H THR A 105 2.469 6.543 -6.246 1.00 0.00 H new ATOM 0 HA THR A 105 2.705 3.787 -5.530 1.00 0.00 H new ATOM 0 HB THR A 105 0.942 4.993 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.547 5.432 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.734 3.367 -6.819 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.751 2.581 -7.406 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.461 2.743 -5.657 1.00 0.00 H new ATOM 525 N THR A 106 3.706 4.734 -8.484 1.00 0.00 N ATOM 526 CA THR A 106 4.399 4.295 -9.686 1.00 0.00 C ATOM 527 C THR A 106 5.813 3.837 -9.351 1.00 0.00 C ATOM 528 O THR A 106 6.343 2.917 -9.973 1.00 0.00 O ATOM 529 CB THR A 106 4.443 5.425 -10.717 1.00 0.00 C ATOM 530 OG1 THR A 106 3.157 5.989 -10.900 1.00 0.00 O ATOM 531 CG2 THR A 106 4.946 4.977 -12.072 1.00 0.00 C ATOM 0 H THR A 106 3.619 5.746 -8.392 1.00 0.00 H new ATOM 0 HA THR A 106 3.852 3.453 -10.110 1.00 0.00 H new ATOM 0 HB THR A 106 5.140 6.159 -10.312 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.890 6.465 -10.086 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.953 5.825 -12.756 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.957 4.583 -11.973 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.291 4.199 -12.464 1.00 0.00 H new ATOM 539 N TYR A 107 6.418 4.488 -8.362 1.00 0.00 N ATOM 540 CA TYR A 107 7.772 4.154 -7.941 1.00 0.00 C ATOM 541 C TYR A 107 7.816 2.800 -7.239 1.00 0.00 C ATOM 542 O TYR A 107 8.745 2.018 -7.439 1.00 0.00 O ATOM 543 CB TYR A 107 8.324 5.242 -7.014 1.00 0.00 C ATOM 544 CG TYR A 107 9.366 6.123 -7.665 1.00 0.00 C ATOM 545 CD1 TYR A 107 10.685 5.705 -7.776 1.00 0.00 C ATOM 546 CD2 TYR A 107 9.029 7.373 -8.169 1.00 0.00 C ATOM 547 CE1 TYR A 107 11.641 6.508 -8.369 1.00 0.00 C ATOM 548 CE2 TYR A 107 9.978 8.182 -8.763 1.00 0.00 C ATOM 549 CZ TYR A 107 11.282 7.745 -8.862 1.00 0.00 C ATOM 550 OH TYR A 107 12.230 8.548 -9.454 1.00 0.00 O ATOM 0 H TYR A 107 5.990 5.251 -7.837 1.00 0.00 H new ATOM 0 HA TYR A 107 8.394 4.094 -8.834 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.499 5.865 -6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 107 8.759 4.770 -6.133 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.969 4.736 -7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.008 7.718 -8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.663 6.169 -8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.700 9.152 -9.148 1.00 0.00 H new ATOM 0 HH TYR A 107 11.813 9.384 -9.748 1.00 0.00 H new ATOM 560 N LEU A 108 6.809 2.529 -6.416 1.00 0.00 N ATOM 561 CA LEU A 108 6.747 1.265 -5.690 1.00 0.00 C ATOM 562 C LEU A 108 6.449 0.109 -6.641 1.00 0.00 C ATOM 563 O LEU A 108 6.943 -1.003 -6.457 1.00 0.00 O ATOM 564 CB LEU A 108 5.690 1.333 -4.581 1.00 0.00 C ATOM 565 CG LEU A 108 4.243 1.126 -5.035 1.00 0.00 C ATOM 566 CD1 LEU A 108 3.906 -0.356 -5.096 1.00 0.00 C ATOM 567 CD2 LEU A 108 3.286 1.856 -4.103 1.00 0.00 C ATOM 0 H LEU A 108 6.030 3.162 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 108 7.720 1.088 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.928 0.580 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.763 2.305 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 108 4.133 1.541 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.873 -0.481 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.571 -0.852 -5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.032 -0.799 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.261 1.699 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.399 1.470 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.512 2.922 -4.112 1.00 0.00 H new ATOM 579 N LYS A 109 5.639 0.383 -7.659 1.00 0.00 N ATOM 580 CA LYS A 109 5.278 -0.633 -8.640 1.00 0.00 C ATOM 581 C LYS A 109 6.485 -1.020 -9.491 1.00 0.00 C ATOM 582 O LYS A 109 6.589 -2.157 -9.955 1.00 0.00 O ATOM 583 CB LYS A 109 4.143 -0.125 -9.536 1.00 0.00 C ATOM 584 CG LYS A 109 2.838 -0.885 -9.352 1.00 0.00 C ATOM 585 CD LYS A 109 1.706 0.038 -8.930 1.00 0.00 C ATOM 586 CE LYS A 109 0.840 -0.599 -7.854 1.00 0.00 C ATOM 587 NZ LYS A 109 -0.084 -1.620 -8.418 1.00 0.00 N ATOM 0 H LYS A 109 5.221 1.298 -7.825 1.00 0.00 H new ATOM 0 HA LYS A 109 4.938 -1.519 -8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.972 0.931 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.453 -0.198 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.573 -1.384 -10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.973 -1.663 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.119 0.976 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.091 0.282 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.478 -1.063 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.262 0.174 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.657 -2.030 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.710 -1.173 -9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.468 -2.371 -8.878 1.00 0.00 H new ATOM 601 N ASN A 110 7.395 -0.071 -9.693 1.00 0.00 N ATOM 602 CA ASN A 110 8.592 -0.318 -10.487 1.00 0.00 C ATOM 603 C ASN A 110 9.622 -1.112 -9.688 1.00 0.00 C ATOM 604 O ASN A 110 10.364 -1.921 -10.244 1.00 0.00 O ATOM 605 CB ASN A 110 9.206 1.004 -10.955 1.00 0.00 C ATOM 606 CG ASN A 110 8.295 1.768 -11.899 1.00 0.00 C ATOM 607 OD1 ASN A 110 8.072 2.966 -11.727 1.00 0.00 O ATOM 608 ND2 ASN A 110 7.768 1.078 -12.903 1.00 0.00 N ATOM 0 H ASN A 110 7.325 0.875 -9.318 1.00 0.00 H new ATOM 0 HA ASN A 110 8.301 -0.904 -11.359 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.427 1.625 -10.087 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.154 0.804 -11.454 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.150 1.540 -13.571 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.981 0.086 -13.007 1.00 0.00 H new ATOM 615 N SER A 111 9.662 -0.873 -8.381 1.00 0.00 N ATOM 616 CA SER A 111 10.602 -1.564 -7.506 1.00 0.00 C ATOM 617 C SER A 111 9.886 -2.599 -6.644 1.00 0.00 C ATOM 618 O SER A 111 10.154 -2.722 -5.449 1.00 0.00 O ATOM 619 CB SER A 111 11.334 -0.559 -6.614 1.00 0.00 C ATOM 620 OG SER A 111 12.305 -1.203 -5.807 1.00 0.00 O ATOM 0 H SER A 111 9.055 -0.206 -7.905 1.00 0.00 H new ATOM 0 HA SER A 111 11.329 -2.081 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.816 0.198 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.615 -0.041 -5.979 1.00 0.00 H new ATOM 0 HG SER A 111 12.290 -0.816 -4.907 1.00 0.00 H new ATOM 626 N VAL A 112 8.974 -3.344 -7.259 1.00 0.00 N ATOM 627 CA VAL A 112 8.220 -4.370 -6.549 1.00 0.00 C ATOM 628 C VAL A 112 8.818 -5.754 -6.783 1.00 0.00 C ATOM 629 O VAL A 112 9.084 -6.141 -7.921 1.00 0.00 O ATOM 630 CB VAL A 112 6.739 -4.379 -6.979 1.00 0.00 C ATOM 631 CG1 VAL A 112 6.608 -4.711 -8.458 1.00 0.00 C ATOM 632 CG2 VAL A 112 5.941 -5.359 -6.130 1.00 0.00 C ATOM 0 H VAL A 112 8.739 -3.256 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 112 8.279 -4.129 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 112 6.331 -3.381 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 112 5.555 -4.712 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.140 -3.964 -9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 112 7.035 -5.695 -8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 112 4.899 -5.351 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.350 -6.362 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.002 -5.066 -5.082 1.00 0.00 H new ATOM 642 N CYS A 113 9.028 -6.494 -5.700 1.00 0.00 N ATOM 643 CA CYS A 113 9.595 -7.836 -5.788 1.00 0.00 C ATOM 644 C CYS A 113 8.555 -8.830 -6.297 1.00 0.00 C ATOM 645 O CYS A 113 8.172 -9.764 -5.593 1.00 0.00 O ATOM 646 CB CYS A 113 10.128 -8.278 -4.422 1.00 0.00 C ATOM 647 SG CYS A 113 11.940 -8.166 -4.261 1.00 0.00 S ATOM 0 H CYS A 113 8.814 -6.188 -4.751 1.00 0.00 H new ATOM 0 HA CYS A 113 10.422 -7.813 -6.497 1.00 0.00 H new ATOM 0 HB2 CYS A 113 9.666 -7.665 -3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.820 -9.308 -4.239 1.00 0.00 H new ATOM 652 N ALA A 114 8.098 -8.620 -7.529 1.00 0.00 N ATOM 653 CA ALA A 114 7.103 -9.496 -8.134 1.00 0.00 C ATOM 654 C ALA A 114 7.659 -10.900 -8.339 1.00 0.00 C ATOM 655 O ALA A 114 8.403 -11.152 -9.286 1.00 0.00 O ATOM 656 CB ALA A 114 6.627 -8.917 -9.458 1.00 0.00 C ATOM 0 H ALA A 114 8.402 -7.851 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 114 6.255 -9.566 -7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.884 -9.581 -9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.182 -7.937 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.474 -8.818 -10.137 1.00 0.00 H new ATOM 662 N GLY A 115 7.293 -11.812 -7.444 1.00 0.00 N ATOM 663 CA GLY A 115 7.765 -13.180 -7.543 1.00 0.00 C ATOM 664 C GLY A 115 6.801 -14.174 -6.924 1.00 0.00 C ATOM 665 O GLY A 115 5.599 -13.916 -6.857 1.00 0.00 O ATOM 0 H GLY A 115 6.678 -11.627 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.918 -13.433 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.734 -13.263 -7.050 1.00 0.00 H new ATOM 669 N PRO A 116 7.300 -15.332 -6.459 1.00 0.00 N ATOM 670 CA PRO A 116 6.461 -16.364 -5.841 1.00 0.00 C ATOM 671 C PRO A 116 5.588 -15.806 -4.722 1.00 0.00 C ATOM 672 O PRO A 116 4.362 -15.900 -4.771 1.00 0.00 O ATOM 673 CB PRO A 116 7.476 -17.362 -5.279 1.00 0.00 C ATOM 674 CG PRO A 116 8.690 -17.181 -6.122 1.00 0.00 C ATOM 675 CD PRO A 116 8.721 -15.725 -6.498 1.00 0.00 C ATOM 0 HA PRO A 116 5.764 -16.803 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 116 7.689 -17.161 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.101 -18.384 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 116 9.590 -17.462 -5.575 1.00 0.00 H new ATOM 0 HG3 PRO A 116 8.646 -17.812 -7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.319 -15.142 -5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.153 -15.575 -7.488 1.00 0.00 H new ATOM 683 N GLU A 117 6.229 -15.225 -3.712 1.00 0.00 N ATOM 684 CA GLU A 117 5.509 -14.654 -2.579 1.00 0.00 C ATOM 685 C GLU A 117 4.766 -13.387 -2.991 1.00 0.00 C ATOM 686 O GLU A 117 4.808 -12.980 -4.152 1.00 0.00 O ATOM 687 CB GLU A 117 6.480 -14.341 -1.437 1.00 0.00 C ATOM 688 CG GLU A 117 7.678 -13.509 -1.869 1.00 0.00 C ATOM 689 CD GLU A 117 9.000 -14.140 -1.471 1.00 0.00 C ATOM 690 OE1 GLU A 117 9.184 -15.346 -1.736 1.00 0.00 O ATOM 691 OE2 GLU A 117 9.848 -13.425 -0.897 1.00 0.00 O ATOM 0 H GLU A 117 7.244 -15.137 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 117 4.779 -15.387 -2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.944 -13.810 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.835 -15.277 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.653 -13.377 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.605 -12.516 -1.425 1.00 0.00 H new ATOM 698 N ASP A 118 4.083 -12.769 -2.032 1.00 0.00 N ATOM 699 CA ASP A 118 3.329 -11.549 -2.297 1.00 0.00 C ATOM 700 C ASP A 118 3.689 -10.458 -1.294 1.00 0.00 C ATOM 701 O ASP A 118 4.229 -10.738 -0.224 1.00 0.00 O ATOM 702 CB ASP A 118 1.827 -11.831 -2.244 1.00 0.00 C ATOM 703 CG ASP A 118 1.050 -11.018 -3.261 1.00 0.00 C ATOM 704 OD1 ASP A 118 0.897 -11.491 -4.407 1.00 0.00 O ATOM 705 OD2 ASP A 118 0.593 -9.910 -2.911 1.00 0.00 O ATOM 0 H ASP A 118 4.036 -13.093 -1.066 1.00 0.00 H new ATOM 0 HA ASP A 118 3.591 -11.200 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.653 -12.892 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.454 -11.610 -1.244 1.00 0.00 H new ATOM 710 N ASN A 119 3.387 -9.213 -1.648 1.00 0.00 N ATOM 711 CA ASN A 119 3.679 -8.078 -0.779 1.00 0.00 C ATOM 712 C ASN A 119 5.175 -7.975 -0.501 1.00 0.00 C ATOM 713 O ASN A 119 5.655 -8.415 0.542 1.00 0.00 O ATOM 714 CB ASN A 119 2.913 -8.209 0.540 1.00 0.00 C ATOM 715 CG ASN A 119 1.490 -7.698 0.434 1.00 0.00 C ATOM 716 OD1 ASN A 119 0.561 -8.464 0.177 1.00 0.00 O ATOM 717 ND2 ASN A 119 1.311 -6.397 0.632 1.00 0.00 N ATOM 0 H ASN A 119 2.940 -8.964 -2.531 1.00 0.00 H new ATOM 0 HA ASN A 119 3.359 -7.170 -1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 119 2.899 -9.255 0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.438 -7.656 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.375 -5.996 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 119 2.110 -5.799 0.843 1.00 0.00 H new ATOM 724 N SER A 120 5.906 -7.390 -1.445 1.00 0.00 N ATOM 725 CA SER A 120 7.349 -7.229 -1.301 1.00 0.00 C ATOM 726 C SER A 120 7.841 -6.007 -2.070 1.00 0.00 C ATOM 727 O SER A 120 7.310 -5.672 -3.130 1.00 0.00 O ATOM 728 CB SER A 120 8.074 -8.482 -1.794 1.00 0.00 C ATOM 729 OG SER A 120 7.614 -8.867 -3.079 1.00 0.00 O ATOM 0 H SER A 120 5.524 -7.020 -2.316 1.00 0.00 H new ATOM 0 HA SER A 120 7.569 -7.082 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.147 -8.294 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.917 -9.298 -1.089 1.00 0.00 H new ATOM 0 HG SER A 120 7.824 -9.812 -3.232 1.00 0.00 H new ATOM 735 N VAL A 121 8.861 -5.349 -1.531 1.00 0.00 N ATOM 736 CA VAL A 121 9.429 -4.163 -2.163 1.00 0.00 C ATOM 737 C VAL A 121 10.945 -4.278 -2.260 1.00 0.00 C ATOM 738 O VAL A 121 11.563 -5.069 -1.548 1.00 0.00 O ATOM 739 CB VAL A 121 9.067 -2.883 -1.387 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.545 -1.647 -2.133 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.568 -2.812 -1.139 1.00 0.00 C ATOM 0 H VAL A 121 9.312 -5.617 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 121 9.004 -4.097 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 121 9.573 -2.916 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.279 -0.755 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.627 -1.691 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.072 -1.609 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.333 -1.900 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.041 -2.807 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.254 -3.678 -0.556 1.00 0.00 H new ATOM 751 N CYS A 122 11.543 -3.484 -3.144 1.00 0.00 N ATOM 752 CA CYS A 122 12.989 -3.503 -3.325 1.00 0.00 C ATOM 753 C CYS A 122 13.616 -2.203 -2.836 1.00 0.00 C ATOM 754 O CYS A 122 13.252 -1.116 -3.284 1.00 0.00 O ATOM 755 CB CYS A 122 13.338 -3.730 -4.798 1.00 0.00 C ATOM 756 SG CYS A 122 13.688 -5.467 -5.221 1.00 0.00 S ATOM 0 H CYS A 122 11.050 -2.822 -3.743 1.00 0.00 H new ATOM 0 HA CYS A 122 13.393 -4.324 -2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.512 -3.377 -5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 122 14.207 -3.123 -5.052 1.00 0.00 H new ATOM 761 N CYS A 123 14.564 -2.328 -1.915 1.00 0.00 N ATOM 762 CA CYS A 123 15.253 -1.172 -1.358 1.00 0.00 C ATOM 763 C CYS A 123 16.749 -1.246 -1.651 1.00 0.00 C ATOM 764 O CYS A 123 17.428 -2.181 -1.228 1.00 0.00 O ATOM 765 CB CYS A 123 15.020 -1.098 0.153 1.00 0.00 C ATOM 766 SG CYS A 123 13.263 -1.133 0.639 1.00 0.00 S ATOM 0 H CYS A 123 14.874 -3.223 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 123 14.851 -0.273 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 123 15.534 -1.932 0.630 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.473 -0.183 0.535 1.00 0.00 H new ATOM 771 N GLY A 124 17.256 -0.257 -2.379 1.00 0.00 N ATOM 772 CA GLY A 124 18.668 -0.234 -2.717 1.00 0.00 C ATOM 773 C GLY A 124 19.346 1.055 -2.294 1.00 0.00 C ATOM 774 O GLY A 124 18.722 1.837 -1.547 1.00 0.00 O ATOM 775 OXT GLY A 124 20.501 1.282 -2.711 1.00 0.00 O ATOM 0 H GLY A 124 16.715 0.529 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.167 -1.077 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.783 -0.365 -3.793 1.00 0.00 H new TER 779 GLY A 124