USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=9 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 Single : A 72 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 75 THR OG1 : rot 100:sc= 1.36 USER MOD Single : A 78 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.4) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.396 K(o=-0.4,f=-4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00825) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.024 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= -0.091 K(o=-0.091,f=-1.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 33:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.742 -10.523 1.095 1.00 0.00 N ATOM 2 CA LEU A 71 16.994 -10.861 -0.301 1.00 0.00 C ATOM 3 C LEU A 71 17.697 -9.713 -1.019 1.00 0.00 C ATOM 4 O LEU A 71 17.556 -8.551 -0.640 1.00 0.00 O ATOM 5 CB LEU A 71 15.680 -11.194 -1.010 1.00 0.00 C ATOM 6 CG LEU A 71 15.816 -12.103 -2.233 1.00 0.00 C ATOM 7 CD1 LEU A 71 14.607 -13.020 -2.354 1.00 0.00 C ATOM 8 CD2 LEU A 71 15.988 -11.274 -3.496 1.00 0.00 C ATOM 0 HA LEU A 71 17.645 -11.735 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.010 -11.671 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.206 -10.263 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 71 16.704 -12.722 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.721 -13.659 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.529 -13.639 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.704 -12.419 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.083 -11.937 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.119 -10.629 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.885 -10.661 -3.409 1.00 0.00 H new ATOM 20 N SER A 72 18.455 -10.045 -2.060 1.00 0.00 N ATOM 21 CA SER A 72 19.177 -9.039 -2.831 1.00 0.00 C ATOM 22 C SER A 72 18.457 -8.742 -4.142 1.00 0.00 C ATOM 23 O SER A 72 18.229 -9.640 -4.954 1.00 0.00 O ATOM 24 CB SER A 72 20.607 -9.509 -3.113 1.00 0.00 C ATOM 25 OG SER A 72 20.729 -10.909 -2.937 1.00 0.00 O ATOM 0 H SER A 72 18.585 -11.002 -2.389 1.00 0.00 H new ATOM 0 HA SER A 72 19.215 -8.123 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.886 -9.242 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.300 -8.994 -2.447 1.00 0.00 H new ATOM 0 HG SER A 72 21.651 -11.183 -3.125 1.00 0.00 H new ATOM 31 N CYS A 73 18.095 -7.478 -4.345 1.00 0.00 N ATOM 32 CA CYS A 73 17.394 -7.071 -5.558 1.00 0.00 C ATOM 33 C CYS A 73 18.133 -5.940 -6.270 1.00 0.00 C ATOM 34 O CYS A 73 18.864 -5.170 -5.647 1.00 0.00 O ATOM 35 CB CYS A 73 15.969 -6.629 -5.222 1.00 0.00 C ATOM 36 SG CYS A 73 15.874 -5.214 -4.077 1.00 0.00 S ATOM 0 H CYS A 73 18.275 -6.720 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 73 17.357 -7.930 -6.228 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.454 -6.368 -6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.433 -7.472 -4.785 1.00 0.00 H new ATOM 41 N LEU A 74 17.933 -5.849 -7.583 1.00 0.00 N ATOM 42 CA LEU A 74 18.574 -4.815 -8.388 1.00 0.00 C ATOM 43 C LEU A 74 17.662 -3.603 -8.536 1.00 0.00 C ATOM 44 O LEU A 74 16.533 -3.716 -9.016 1.00 0.00 O ATOM 45 CB LEU A 74 18.933 -5.366 -9.770 1.00 0.00 C ATOM 46 CG LEU A 74 20.193 -6.234 -9.814 1.00 0.00 C ATOM 47 CD1 LEU A 74 19.859 -7.677 -9.471 1.00 0.00 C ATOM 48 CD2 LEU A 74 20.850 -6.147 -11.182 1.00 0.00 C ATOM 0 H LEU A 74 17.331 -6.480 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 74 19.486 -4.504 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 74 18.093 -5.953 -10.140 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.063 -4.529 -10.456 1.00 0.00 H new ATOM 0 HG LEU A 74 20.896 -5.860 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.767 -8.279 -9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.433 -7.723 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 74 19.138 -8.064 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.744 -6.770 -11.196 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.153 -6.496 -11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.125 -5.113 -11.388 1.00 0.00 H new ATOM 60 N THR A 75 18.158 -2.443 -8.122 1.00 0.00 N ATOM 61 CA THR A 75 17.388 -1.207 -8.209 1.00 0.00 C ATOM 62 C THR A 75 17.166 -0.809 -9.667 1.00 0.00 C ATOM 63 O THR A 75 17.816 -1.341 -10.566 1.00 0.00 O ATOM 64 CB THR A 75 18.111 -0.085 -7.462 1.00 0.00 C ATOM 65 OG1 THR A 75 19.512 -0.187 -7.641 1.00 0.00 O ATOM 66 CG2 THR A 75 17.836 -0.084 -5.975 1.00 0.00 C ATOM 0 H THR A 75 19.090 -2.332 -7.723 1.00 0.00 H new ATOM 0 HA THR A 75 16.415 -1.374 -7.747 1.00 0.00 H new ATOM 0 HB THR A 75 17.725 0.842 -7.886 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.800 0.443 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.379 0.736 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.767 0.042 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.164 -1.030 -5.544 1.00 0.00 H new ATOM 74 N PRO A 76 16.246 0.138 -9.924 1.00 0.00 N ATOM 75 CA PRO A 76 15.953 0.600 -11.286 1.00 0.00 C ATOM 76 C PRO A 76 17.220 0.960 -12.054 1.00 0.00 C ATOM 77 O PRO A 76 17.327 0.710 -13.253 1.00 0.00 O ATOM 78 CB PRO A 76 15.089 1.840 -11.058 1.00 0.00 C ATOM 79 CG PRO A 76 14.430 1.603 -9.743 1.00 0.00 C ATOM 80 CD PRO A 76 15.421 0.832 -8.915 1.00 0.00 C ATOM 0 HA PRO A 76 15.465 -0.168 -11.887 1.00 0.00 H new ATOM 0 HB2 PRO A 76 15.694 2.747 -11.041 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.354 1.963 -11.853 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.169 2.546 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.504 1.041 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.022 1.493 -8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.925 0.127 -8.248 1.00 0.00 H new ATOM 88 N ASP A 77 18.180 1.539 -11.344 1.00 0.00 N ATOM 89 CA ASP A 77 19.452 1.928 -11.939 1.00 0.00 C ATOM 90 C ASP A 77 20.326 0.704 -12.192 1.00 0.00 C ATOM 91 O ASP A 77 21.249 0.742 -13.004 1.00 0.00 O ATOM 92 CB ASP A 77 20.177 2.909 -11.022 1.00 0.00 C ATOM 93 CG ASP A 77 20.455 2.333 -9.646 1.00 0.00 C ATOM 94 OD1 ASP A 77 20.770 1.131 -9.555 1.00 0.00 O ATOM 95 OD2 ASP A 77 20.357 3.090 -8.658 1.00 0.00 O ATOM 0 H ASP A 77 18.101 1.751 -10.349 1.00 0.00 H new ATOM 0 HA ASP A 77 19.253 2.412 -12.895 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.119 3.203 -11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.577 3.813 -10.918 1.00 0.00 H new ATOM 100 N ASN A 78 20.018 -0.373 -11.472 1.00 0.00 N ATOM 101 CA ASN A 78 20.745 -1.642 -11.574 1.00 0.00 C ATOM 102 C ASN A 78 21.921 -1.675 -10.607 1.00 0.00 C ATOM 103 O ASN A 78 23.027 -2.080 -10.964 1.00 0.00 O ATOM 104 CB ASN A 78 21.227 -1.903 -13.006 1.00 0.00 C ATOM 105 CG ASN A 78 20.134 -1.688 -14.034 1.00 0.00 C ATOM 106 OD1 ASN A 78 19.121 -2.388 -14.035 1.00 0.00 O ATOM 107 ND2 ASN A 78 20.332 -0.714 -14.916 1.00 0.00 N ATOM 0 H ASN A 78 19.253 -0.392 -10.797 1.00 0.00 H new ATOM 0 HA ASN A 78 20.049 -2.436 -11.304 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.066 -1.244 -13.229 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.596 -2.926 -13.081 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.630 -0.522 -15.630 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.186 -0.158 -14.879 1.00 0.00 H new ATOM 114 N LYS A 79 21.663 -1.259 -9.372 1.00 0.00 N ATOM 115 CA LYS A 79 22.684 -1.251 -8.335 1.00 0.00 C ATOM 116 C LYS A 79 22.321 -2.254 -7.243 1.00 0.00 C ATOM 117 O LYS A 79 21.167 -2.330 -6.825 1.00 0.00 O ATOM 118 CB LYS A 79 22.829 0.150 -7.736 1.00 0.00 C ATOM 119 CG LYS A 79 24.167 0.385 -7.055 1.00 0.00 C ATOM 120 CD LYS A 79 24.642 1.817 -7.236 1.00 0.00 C ATOM 121 CE LYS A 79 26.128 1.876 -7.552 1.00 0.00 C ATOM 122 NZ LYS A 79 26.955 1.985 -6.319 1.00 0.00 N ATOM 0 H LYS A 79 20.751 -0.922 -9.065 1.00 0.00 H new ATOM 0 HA LYS A 79 23.637 -1.536 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 79 22.698 0.889 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.029 0.311 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 79 24.079 0.162 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 79 24.910 -0.300 -7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 79 24.079 2.289 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 79 24.439 2.386 -6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 79 26.417 0.982 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 79 26.328 2.730 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 27.961 2.023 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 26.698 2.851 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 26.784 1.158 -5.712 1.00 0.00 H new ATOM 136 N PRO A 80 23.296 -3.049 -6.771 1.00 0.00 N ATOM 137 CA PRO A 80 23.049 -4.052 -5.734 1.00 0.00 C ATOM 138 C PRO A 80 22.318 -3.478 -4.526 1.00 0.00 C ATOM 139 O PRO A 80 22.773 -2.517 -3.905 1.00 0.00 O ATOM 140 CB PRO A 80 24.451 -4.513 -5.340 1.00 0.00 C ATOM 141 CG PRO A 80 25.289 -4.256 -6.546 1.00 0.00 C ATOM 142 CD PRO A 80 24.704 -3.039 -7.212 1.00 0.00 C ATOM 0 HA PRO A 80 22.407 -4.856 -6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.821 -3.961 -4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 80 24.459 -5.569 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 80 26.329 -4.086 -6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 80 25.275 -5.113 -7.220 1.00 0.00 H new ATOM 0 HD2 PRO A 80 25.215 -2.127 -6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 80 24.785 -3.097 -8.297 1.00 0.00 H new ATOM 150 N GLY A 81 21.183 -4.082 -4.201 1.00 0.00 N ATOM 151 CA GLY A 81 20.394 -3.635 -3.068 1.00 0.00 C ATOM 152 C GLY A 81 19.775 -4.792 -2.312 1.00 0.00 C ATOM 153 O GLY A 81 20.258 -5.922 -2.396 1.00 0.00 O ATOM 0 H GLY A 81 20.792 -4.878 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 81 21.025 -3.058 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.606 -2.967 -3.417 1.00 0.00 H new ATOM 157 N LYS A 82 18.706 -4.517 -1.574 1.00 0.00 N ATOM 158 CA LYS A 82 18.031 -5.555 -0.806 1.00 0.00 C ATOM 159 C LYS A 82 16.521 -5.476 -0.989 1.00 0.00 C ATOM 160 O LYS A 82 15.961 -4.393 -1.160 1.00 0.00 O ATOM 161 CB LYS A 82 18.385 -5.436 0.677 1.00 0.00 C ATOM 162 CG LYS A 82 17.911 -4.140 1.314 1.00 0.00 C ATOM 163 CD LYS A 82 18.193 -4.119 2.808 1.00 0.00 C ATOM 164 CE LYS A 82 18.027 -2.722 3.386 1.00 0.00 C ATOM 165 NZ LYS A 82 18.140 -2.719 4.871 1.00 0.00 N ATOM 0 H LYS A 82 18.290 -3.589 -1.491 1.00 0.00 H new ATOM 0 HA LYS A 82 18.372 -6.522 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.947 -6.277 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.466 -5.513 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.408 -3.295 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.841 -4.019 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.518 -4.807 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.207 -4.473 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.784 -2.062 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.056 -2.322 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.021 -1.749 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.402 -3.329 5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.076 -3.077 5.149 1.00 0.00 H new ATOM 179 N CYS A 83 15.868 -6.630 -0.951 1.00 0.00 N ATOM 180 CA CYS A 83 14.422 -6.699 -1.110 1.00 0.00 C ATOM 181 C CYS A 83 13.756 -7.073 0.209 1.00 0.00 C ATOM 182 O CYS A 83 14.095 -8.085 0.823 1.00 0.00 O ATOM 183 CB CYS A 83 14.067 -7.725 -2.187 1.00 0.00 C ATOM 184 SG CYS A 83 12.443 -7.464 -2.971 1.00 0.00 S ATOM 0 H CYS A 83 16.319 -7.534 -0.811 1.00 0.00 H new ATOM 0 HA CYS A 83 14.057 -5.718 -1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.837 -7.704 -2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.087 -8.721 -1.744 1.00 0.00 H new ATOM 189 N VAL A 84 12.808 -6.249 0.643 1.00 0.00 N ATOM 190 CA VAL A 84 12.096 -6.491 1.892 1.00 0.00 C ATOM 191 C VAL A 84 10.624 -6.113 1.771 1.00 0.00 C ATOM 192 O VAL A 84 10.247 -5.308 0.920 1.00 0.00 O ATOM 193 CB VAL A 84 12.725 -5.706 3.058 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.113 -6.237 3.375 1.00 0.00 C ATOM 195 CG2 VAL A 84 12.775 -4.221 2.734 1.00 0.00 C ATOM 0 H VAL A 84 12.515 -5.407 0.147 1.00 0.00 H new ATOM 0 HA VAL A 84 12.175 -7.558 2.099 1.00 0.00 H new ATOM 0 HB VAL A 84 12.101 -5.842 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.540 -5.669 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.045 -7.288 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.751 -6.135 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.222 -3.681 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.375 -4.064 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.764 -3.852 2.563 1.00 0.00 H new ATOM 205 N ASN A 85 9.795 -6.701 2.630 1.00 0.00 N ATOM 206 CA ASN A 85 8.361 -6.427 2.621 1.00 0.00 C ATOM 207 C ASN A 85 8.084 -4.937 2.783 1.00 0.00 C ATOM 208 O ASN A 85 9.007 -4.123 2.828 1.00 0.00 O ATOM 209 CB ASN A 85 7.666 -7.209 3.737 1.00 0.00 C ATOM 210 CG ASN A 85 7.875 -8.706 3.613 1.00 0.00 C ATOM 211 OD1 ASN A 85 8.775 -9.164 2.907 1.00 0.00 O ATOM 212 ND2 ASN A 85 7.043 -9.479 4.302 1.00 0.00 N ATOM 0 H ASN A 85 10.092 -7.370 3.341 1.00 0.00 H new ATOM 0 HA ASN A 85 7.965 -6.746 1.657 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.043 -6.871 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 85 6.598 -6.992 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.136 -10.494 4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.311 -9.058 4.874 1.00 0.00 H new ATOM 219 N ILE A 86 6.804 -4.586 2.871 1.00 0.00 N ATOM 220 CA ILE A 86 6.397 -3.193 3.028 1.00 0.00 C ATOM 221 C ILE A 86 6.345 -2.787 4.501 1.00 0.00 C ATOM 222 O ILE A 86 5.950 -1.669 4.832 1.00 0.00 O ATOM 223 CB ILE A 86 5.021 -2.943 2.381 1.00 0.00 C ATOM 224 CG1 ILE A 86 3.905 -3.604 3.196 1.00 0.00 C ATOM 225 CG2 ILE A 86 5.017 -3.469 0.958 1.00 0.00 C ATOM 226 CD1 ILE A 86 2.522 -3.375 2.629 1.00 0.00 C ATOM 0 H ILE A 86 6.029 -5.249 2.836 1.00 0.00 H new ATOM 0 HA ILE A 86 7.147 -2.584 2.523 1.00 0.00 H new ATOM 0 HB ILE A 86 4.836 -1.869 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.093 -4.676 3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.938 -3.223 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.041 -3.289 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.785 -2.957 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.222 -4.540 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.784 -3.872 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.313 -2.306 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.471 -3.782 1.619 1.00 0.00 H new ATOM 238 N LYS A 87 6.741 -3.703 5.377 1.00 0.00 N ATOM 239 CA LYS A 87 6.737 -3.441 6.812 1.00 0.00 C ATOM 240 C LYS A 87 8.122 -3.662 7.411 1.00 0.00 C ATOM 241 O LYS A 87 8.254 -3.978 8.595 1.00 0.00 O ATOM 242 CB LYS A 87 5.715 -4.340 7.511 1.00 0.00 C ATOM 243 CG LYS A 87 4.340 -3.706 7.640 1.00 0.00 C ATOM 244 CD LYS A 87 3.234 -4.698 7.320 1.00 0.00 C ATOM 245 CE LYS A 87 3.009 -5.672 8.465 1.00 0.00 C ATOM 246 NZ LYS A 87 1.566 -5.988 8.651 1.00 0.00 N ATOM 0 H LYS A 87 7.069 -4.634 5.119 1.00 0.00 H new ATOM 0 HA LYS A 87 6.459 -2.398 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.625 -5.274 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.085 -4.593 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.207 -3.327 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.268 -2.851 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.310 -4.159 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.490 -5.251 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.560 -6.592 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.409 -5.248 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.456 -6.655 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.043 -5.114 8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.190 -6.416 7.781 1.00 0.00 H new ATOM 260 N LYS A 88 9.151 -3.493 6.588 1.00 0.00 N ATOM 261 CA LYS A 88 10.527 -3.671 7.036 1.00 0.00 C ATOM 262 C LYS A 88 11.409 -2.530 6.542 1.00 0.00 C ATOM 263 O LYS A 88 12.249 -2.017 7.282 1.00 0.00 O ATOM 264 CB LYS A 88 11.077 -5.009 6.537 1.00 0.00 C ATOM 265 CG LYS A 88 12.376 -5.420 7.211 1.00 0.00 C ATOM 266 CD LYS A 88 12.146 -5.853 8.650 1.00 0.00 C ATOM 267 CE LYS A 88 13.346 -6.604 9.204 1.00 0.00 C ATOM 268 NZ LYS A 88 14.556 -5.740 9.278 1.00 0.00 N ATOM 0 H LYS A 88 9.058 -3.233 5.606 1.00 0.00 H new ATOM 0 HA LYS A 88 10.534 -3.667 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.329 -5.785 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.239 -4.948 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.834 -6.237 6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.078 -4.586 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.947 -4.977 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.262 -6.488 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.109 -6.983 10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.555 -7.469 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.343 -6.279 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.817 -5.426 8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.354 -4.910 9.872 1.00 0.00 H new ATOM 282 N CYS A 89 11.214 -2.137 5.287 1.00 0.00 N ATOM 283 CA CYS A 89 11.994 -1.055 4.696 1.00 0.00 C ATOM 284 C CYS A 89 11.633 0.286 5.328 1.00 0.00 C ATOM 285 O CYS A 89 10.499 0.751 5.216 1.00 0.00 O ATOM 286 CB CYS A 89 11.763 -0.997 3.184 1.00 0.00 C ATOM 287 SG CYS A 89 13.116 -0.201 2.257 1.00 0.00 S ATOM 0 H CYS A 89 10.524 -2.551 4.660 1.00 0.00 H new ATOM 0 HA CYS A 89 13.048 -1.255 4.889 1.00 0.00 H new ATOM 0 HB2 CYS A 89 11.627 -2.011 2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.836 -0.458 2.989 1.00 0.00 H new ATOM 292 N THR A 90 12.607 0.903 5.989 1.00 0.00 N ATOM 293 CA THR A 90 12.393 2.193 6.636 1.00 0.00 C ATOM 294 C THR A 90 11.958 3.246 5.623 1.00 0.00 C ATOM 295 O THR A 90 11.227 4.178 5.957 1.00 0.00 O ATOM 296 CB THR A 90 13.669 2.647 7.347 1.00 0.00 C ATOM 297 OG1 THR A 90 14.201 1.602 8.141 1.00 0.00 O ATOM 298 CG2 THR A 90 13.460 3.847 8.246 1.00 0.00 C ATOM 0 H THR A 90 13.551 0.531 6.091 1.00 0.00 H new ATOM 0 HA THR A 90 11.597 2.075 7.372 1.00 0.00 H new ATOM 0 HB THR A 90 14.358 2.927 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.017 1.912 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.404 4.116 8.719 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.099 4.687 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 90 12.726 3.603 9.014 1.00 0.00 H new ATOM 306 N HIS A 91 12.411 3.089 4.383 1.00 0.00 N ATOM 307 CA HIS A 91 12.064 4.026 3.322 1.00 0.00 C ATOM 308 C HIS A 91 10.552 4.097 3.136 1.00 0.00 C ATOM 309 O HIS A 91 9.995 5.168 2.902 1.00 0.00 O ATOM 310 CB HIS A 91 12.737 3.614 2.010 1.00 0.00 C ATOM 311 CG HIS A 91 13.542 4.709 1.381 1.00 0.00 C ATOM 312 ND1 HIS A 91 14.595 5.331 2.019 1.00 0.00 N ATOM 313 CD2 HIS A 91 13.445 5.294 0.163 1.00 0.00 C ATOM 314 CE1 HIS A 91 15.111 6.250 1.222 1.00 0.00 C ATOM 315 NE2 HIS A 91 14.431 6.247 0.091 1.00 0.00 N ATOM 0 H HIS A 91 13.018 2.323 4.089 1.00 0.00 H new ATOM 0 HA HIS A 91 12.422 5.015 3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.386 2.758 2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.972 3.286 1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.727 5.055 -0.607 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.946 6.893 1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 91 14.609 6.855 -0.708 1.00 0.00 H new ATOM 324 N LEU A 92 9.897 2.948 3.245 1.00 0.00 N ATOM 325 CA LEU A 92 8.448 2.877 3.092 1.00 0.00 C ATOM 326 C LEU A 92 7.751 3.706 4.164 1.00 0.00 C ATOM 327 O LEU A 92 6.774 4.403 3.889 1.00 0.00 O ATOM 328 CB LEU A 92 7.977 1.421 3.164 1.00 0.00 C ATOM 329 CG LEU A 92 7.548 0.812 1.828 1.00 0.00 C ATOM 330 CD1 LEU A 92 6.320 1.527 1.287 1.00 0.00 C ATOM 331 CD2 LEU A 92 8.689 0.875 0.824 1.00 0.00 C ATOM 0 H LEU A 92 10.345 2.052 3.439 1.00 0.00 H new ATOM 0 HA LEU A 92 8.187 3.285 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.782 0.815 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.140 1.360 3.859 1.00 0.00 H new ATOM 0 HG LEU A 92 7.292 -0.235 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.029 1.081 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.500 1.431 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.550 2.582 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.367 0.438 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.976 1.914 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.543 0.318 1.209 1.00 0.00 H new ATOM 343 N ALA A 93 8.262 3.627 5.386 1.00 0.00 N ATOM 344 CA ALA A 93 7.694 4.371 6.503 1.00 0.00 C ATOM 345 C ALA A 93 7.847 5.872 6.290 1.00 0.00 C ATOM 346 O ALA A 93 6.984 6.657 6.682 1.00 0.00 O ATOM 347 CB ALA A 93 8.353 3.950 7.807 1.00 0.00 C ATOM 0 H ALA A 93 9.070 3.054 5.629 1.00 0.00 H new ATOM 0 HA ALA A 93 6.630 4.143 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.919 4.514 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.190 2.885 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.423 4.149 7.755 1.00 0.00 H new ATOM 353 N GLU A 94 8.951 6.262 5.665 1.00 0.00 N ATOM 354 CA GLU A 94 9.220 7.671 5.396 1.00 0.00 C ATOM 355 C GLU A 94 8.229 8.230 4.381 1.00 0.00 C ATOM 356 O GLU A 94 7.715 9.336 4.547 1.00 0.00 O ATOM 357 CB GLU A 94 10.650 7.851 4.885 1.00 0.00 C ATOM 358 CG GLU A 94 11.107 9.300 4.846 1.00 0.00 C ATOM 359 CD GLU A 94 12.306 9.511 3.943 1.00 0.00 C ATOM 360 OE1 GLU A 94 12.132 9.460 2.707 1.00 0.00 O ATOM 361 OE2 GLU A 94 13.417 9.726 4.471 1.00 0.00 O ATOM 0 H GLU A 94 9.675 5.624 5.335 1.00 0.00 H new ATOM 0 HA GLU A 94 9.105 8.222 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.328 7.282 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.724 7.429 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.284 9.927 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.356 9.625 5.856 1.00 0.00 H new ATOM 368 N ILE A 95 7.966 7.458 3.335 1.00 0.00 N ATOM 369 CA ILE A 95 7.032 7.877 2.295 1.00 0.00 C ATOM 370 C ILE A 95 5.614 7.968 2.845 1.00 0.00 C ATOM 371 O ILE A 95 4.834 8.832 2.442 1.00 0.00 O ATOM 372 CB ILE A 95 7.052 6.905 1.098 1.00 0.00 C ATOM 373 CG1 ILE A 95 8.473 6.769 0.546 1.00 0.00 C ATOM 374 CG2 ILE A 95 6.096 7.377 0.007 1.00 0.00 C ATOM 375 CD1 ILE A 95 9.005 8.041 -0.078 1.00 0.00 C ATOM 0 H ILE A 95 8.384 6.540 3.183 1.00 0.00 H new ATOM 0 HA ILE A 95 7.351 8.862 1.954 1.00 0.00 H new ATOM 0 HB ILE A 95 6.720 5.926 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.139 6.464 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.490 5.974 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.124 6.678 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.083 7.424 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.397 8.367 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.016 7.870 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.361 8.337 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.021 8.834 0.670 1.00 0.00 H new ATOM 387 N GLU A 96 5.286 7.072 3.768 1.00 0.00 N ATOM 388 CA GLU A 96 3.961 7.051 4.378 1.00 0.00 C ATOM 389 C GLU A 96 3.724 8.315 5.198 1.00 0.00 C ATOM 390 O GLU A 96 2.594 8.790 5.311 1.00 0.00 O ATOM 391 CB GLU A 96 3.804 5.813 5.264 1.00 0.00 C ATOM 392 CG GLU A 96 2.456 5.127 5.114 1.00 0.00 C ATOM 393 CD GLU A 96 2.479 4.013 4.087 1.00 0.00 C ATOM 394 OE1 GLU A 96 2.410 4.320 2.878 1.00 0.00 O ATOM 395 OE2 GLU A 96 2.569 2.835 4.488 1.00 0.00 O ATOM 0 H GLU A 96 5.919 6.350 4.111 1.00 0.00 H new ATOM 0 HA GLU A 96 3.219 7.012 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.594 5.101 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.942 6.102 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.150 4.721 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.707 5.865 4.827 1.00 0.00 H new ATOM 402 N GLU A 97 4.797 8.855 5.766 1.00 0.00 N ATOM 403 CA GLU A 97 4.705 10.066 6.576 1.00 0.00 C ATOM 404 C GLU A 97 4.568 11.302 5.694 1.00 0.00 C ATOM 405 O GLU A 97 3.940 12.287 6.082 1.00 0.00 O ATOM 406 CB GLU A 97 5.937 10.199 7.473 1.00 0.00 C ATOM 407 CG GLU A 97 5.749 11.177 8.621 1.00 0.00 C ATOM 408 CD GLU A 97 7.019 11.935 8.955 1.00 0.00 C ATOM 409 OE1 GLU A 97 8.011 11.288 9.351 1.00 0.00 O ATOM 410 OE2 GLU A 97 7.022 13.177 8.817 1.00 0.00 O ATOM 0 H GLU A 97 5.740 8.475 5.681 1.00 0.00 H new ATOM 0 HA GLU A 97 3.815 9.988 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.189 9.219 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.784 10.521 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.963 11.887 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.411 10.635 9.504 1.00 0.00 H new ATOM 417 N ASP A 98 5.158 11.243 4.503 1.00 0.00 N ATOM 418 CA ASP A 98 5.101 12.360 3.568 1.00 0.00 C ATOM 419 C ASP A 98 3.827 12.298 2.724 1.00 0.00 C ATOM 420 O ASP A 98 3.600 11.326 2.002 1.00 0.00 O ATOM 421 CB ASP A 98 6.332 12.350 2.657 1.00 0.00 C ATOM 422 CG ASP A 98 7.270 13.506 2.943 1.00 0.00 C ATOM 423 OD1 ASP A 98 8.058 13.409 3.908 1.00 0.00 O ATOM 424 OD2 ASP A 98 7.217 14.512 2.202 1.00 0.00 O ATOM 0 H ASP A 98 5.680 10.435 4.164 1.00 0.00 H new ATOM 0 HA ASP A 98 5.090 13.286 4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.868 11.410 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.011 12.395 1.616 1.00 0.00 H new ATOM 429 N PRO A 99 2.972 13.334 2.799 1.00 0.00 N ATOM 430 CA PRO A 99 1.721 13.382 2.034 1.00 0.00 C ATOM 431 C PRO A 99 1.949 13.192 0.539 1.00 0.00 C ATOM 432 O PRO A 99 2.443 14.090 -0.143 1.00 0.00 O ATOM 433 CB PRO A 99 1.178 14.786 2.316 1.00 0.00 C ATOM 434 CG PRO A 99 1.797 15.181 3.613 1.00 0.00 C ATOM 435 CD PRO A 99 3.155 14.539 3.631 1.00 0.00 C ATOM 0 HA PRO A 99 1.039 12.583 2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 99 1.448 15.481 1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.090 14.783 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.876 16.265 3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.193 14.841 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.918 15.200 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.466 14.285 4.644 1.00 0.00 H new ATOM 443 N ILE A 100 1.586 12.018 0.034 1.00 0.00 N ATOM 444 CA ILE A 100 1.750 11.711 -1.381 1.00 0.00 C ATOM 445 C ILE A 100 0.730 10.675 -1.842 1.00 0.00 C ATOM 446 O ILE A 100 0.177 9.931 -1.033 1.00 0.00 O ATOM 447 CB ILE A 100 3.168 11.188 -1.682 1.00 0.00 C ATOM 448 CG1 ILE A 100 3.520 10.031 -0.746 1.00 0.00 C ATOM 449 CG2 ILE A 100 4.186 12.311 -1.551 1.00 0.00 C ATOM 450 CD1 ILE A 100 3.265 8.667 -1.348 1.00 0.00 C ATOM 0 H ILE A 100 1.176 11.263 0.584 1.00 0.00 H new ATOM 0 HA ILE A 100 1.590 12.641 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 100 3.192 10.820 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.571 10.106 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.941 10.128 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.183 11.926 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.944 13.106 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.162 12.707 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.537 7.895 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.209 8.572 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.865 8.550 -2.250 1.00 0.00 H new ATOM 462 N GLY A 101 0.485 10.635 -3.147 1.00 0.00 N ATOM 463 CA GLY A 101 -0.470 9.687 -3.694 1.00 0.00 C ATOM 464 C GLY A 101 0.067 8.956 -4.909 1.00 0.00 C ATOM 465 O GLY A 101 0.543 7.826 -4.799 1.00 0.00 O ATOM 0 H GLY A 101 0.930 11.241 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.737 8.961 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -1.385 10.214 -3.966 1.00 0.00 H new ATOM 469 N GLU A 102 -0.012 9.600 -6.068 1.00 0.00 N ATOM 470 CA GLU A 102 0.469 9.003 -7.309 1.00 0.00 C ATOM 471 C GLU A 102 1.952 8.660 -7.211 1.00 0.00 C ATOM 472 O GLU A 102 2.418 7.693 -7.813 1.00 0.00 O ATOM 473 CB GLU A 102 0.231 9.953 -8.484 1.00 0.00 C ATOM 474 CG GLU A 102 -1.234 10.102 -8.858 1.00 0.00 C ATOM 475 CD GLU A 102 -1.717 8.993 -9.772 1.00 0.00 C ATOM 476 OE1 GLU A 102 -1.244 7.848 -9.617 1.00 0.00 O ATOM 477 OE2 GLU A 102 -2.569 9.269 -10.643 1.00 0.00 O ATOM 0 H GLU A 102 -0.404 10.535 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.088 8.081 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.635 10.934 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.784 9.591 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.838 10.109 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.384 11.064 -9.349 1.00 0.00 H new ATOM 484 N ASP A 103 2.689 9.460 -6.447 1.00 0.00 N ATOM 485 CA ASP A 103 4.119 9.241 -6.267 1.00 0.00 C ATOM 486 C ASP A 103 4.388 7.873 -5.647 1.00 0.00 C ATOM 487 O ASP A 103 5.428 7.262 -5.895 1.00 0.00 O ATOM 488 CB ASP A 103 4.719 10.340 -5.388 1.00 0.00 C ATOM 489 CG ASP A 103 4.920 11.639 -6.144 1.00 0.00 C ATOM 490 OD1 ASP A 103 4.045 11.991 -6.962 1.00 0.00 O ATOM 491 OD2 ASP A 103 5.952 12.304 -5.916 1.00 0.00 O ATOM 0 H ASP A 103 2.319 10.266 -5.943 1.00 0.00 H new ATOM 0 HA ASP A 103 4.591 9.273 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.064 10.517 -4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.676 10.002 -4.991 1.00 0.00 H new ATOM 496 N GLU A 104 3.444 7.400 -4.839 1.00 0.00 N ATOM 497 CA GLU A 104 3.580 6.105 -4.184 1.00 0.00 C ATOM 498 C GLU A 104 3.407 4.967 -5.185 1.00 0.00 C ATOM 499 O GLU A 104 4.048 3.922 -5.069 1.00 0.00 O ATOM 500 CB GLU A 104 2.552 5.969 -3.057 1.00 0.00 C ATOM 501 CG GLU A 104 3.107 5.313 -1.804 1.00 0.00 C ATOM 502 CD GLU A 104 2.095 5.260 -0.677 1.00 0.00 C ATOM 503 OE1 GLU A 104 1.982 6.255 0.068 1.00 0.00 O ATOM 504 OE2 GLU A 104 1.414 4.222 -0.540 1.00 0.00 O ATOM 0 H GLU A 104 2.578 7.894 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 104 4.583 6.044 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.172 6.958 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.705 5.386 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.433 4.301 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.988 5.862 -1.471 1.00 0.00 H new ATOM 511 N THR A 105 2.539 5.178 -6.166 1.00 0.00 N ATOM 512 CA THR A 105 2.282 4.171 -7.189 1.00 0.00 C ATOM 513 C THR A 105 3.490 4.004 -8.103 1.00 0.00 C ATOM 514 O THR A 105 3.819 2.894 -8.520 1.00 0.00 O ATOM 515 CB THR A 105 1.052 4.552 -8.015 1.00 0.00 C ATOM 516 OG1 THR A 105 -0.019 4.937 -7.172 1.00 0.00 O ATOM 517 CG2 THR A 105 0.556 3.431 -8.903 1.00 0.00 C ATOM 0 H THR A 105 2.001 6.037 -6.275 1.00 0.00 H new ATOM 0 HA THR A 105 2.093 3.222 -6.688 1.00 0.00 H new ATOM 0 HB THR A 105 1.375 5.379 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.795 5.178 -7.719 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.318 3.768 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.343 3.144 -9.600 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.285 2.573 -8.288 1.00 0.00 H new ATOM 525 N THR A 106 4.150 5.115 -8.407 1.00 0.00 N ATOM 526 CA THR A 106 5.325 5.095 -9.269 1.00 0.00 C ATOM 527 C THR A 106 6.520 4.490 -8.540 1.00 0.00 C ATOM 528 O THR A 106 7.353 3.815 -9.145 1.00 0.00 O ATOM 529 CB THR A 106 5.663 6.510 -9.742 1.00 0.00 C ATOM 530 OG1 THR A 106 4.503 7.323 -9.756 1.00 0.00 O ATOM 531 CG2 THR A 106 6.268 6.548 -11.127 1.00 0.00 C ATOM 0 H THR A 106 3.891 6.042 -8.069 1.00 0.00 H new ATOM 0 HA THR A 106 5.098 4.476 -10.137 1.00 0.00 H new ATOM 0 HB THR A 106 6.400 6.885 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 106 4.739 8.224 -10.059 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.484 7.581 -11.402 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.192 5.969 -11.137 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.565 6.122 -11.843 1.00 0.00 H new ATOM 539 N TYR A 107 6.596 4.737 -7.237 1.00 0.00 N ATOM 540 CA TYR A 107 7.688 4.215 -6.424 1.00 0.00 C ATOM 541 C TYR A 107 7.542 2.710 -6.226 1.00 0.00 C ATOM 542 O TYR A 107 8.535 1.984 -6.152 1.00 0.00 O ATOM 543 CB TYR A 107 7.725 4.920 -5.067 1.00 0.00 C ATOM 544 CG TYR A 107 8.567 6.176 -5.059 1.00 0.00 C ATOM 545 CD1 TYR A 107 8.375 7.171 -6.011 1.00 0.00 C ATOM 546 CD2 TYR A 107 9.553 6.368 -4.098 1.00 0.00 C ATOM 547 CE1 TYR A 107 9.143 8.320 -6.006 1.00 0.00 C ATOM 548 CE2 TYR A 107 10.324 7.514 -4.088 1.00 0.00 C ATOM 549 CZ TYR A 107 10.115 8.487 -5.043 1.00 0.00 C ATOM 550 OH TYR A 107 10.881 9.630 -5.035 1.00 0.00 O ATOM 0 H TYR A 107 5.915 5.295 -6.722 1.00 0.00 H new ATOM 0 HA TYR A 107 8.624 4.407 -6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.707 5.173 -4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 107 8.112 4.229 -4.318 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.614 7.044 -6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.719 5.609 -3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.982 9.083 -6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.087 7.648 -3.336 1.00 0.00 H new ATOM 0 HH TYR A 107 11.518 9.591 -4.292 1.00 0.00 H new ATOM 560 N LEU A 108 6.299 2.248 -6.140 1.00 0.00 N ATOM 561 CA LEU A 108 6.024 0.830 -5.951 1.00 0.00 C ATOM 562 C LEU A 108 6.371 0.036 -7.206 1.00 0.00 C ATOM 563 O LEU A 108 6.880 -1.083 -7.126 1.00 0.00 O ATOM 564 CB LEU A 108 4.551 0.619 -5.584 1.00 0.00 C ATOM 565 CG LEU A 108 4.310 -0.044 -4.228 1.00 0.00 C ATOM 566 CD1 LEU A 108 4.275 0.999 -3.122 1.00 0.00 C ATOM 567 CD2 LEU A 108 3.015 -0.844 -4.251 1.00 0.00 C ATOM 0 H LEU A 108 5.467 2.835 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 108 6.648 0.469 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.048 1.586 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.083 0.010 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 108 5.134 -0.728 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 108 4.102 0.508 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.227 1.529 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.471 1.708 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.858 -1.310 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.181 -0.179 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.078 -1.617 -5.017 1.00 0.00 H new ATOM 579 N LYS A 109 6.091 0.623 -8.364 1.00 0.00 N ATOM 580 CA LYS A 109 6.371 -0.028 -9.639 1.00 0.00 C ATOM 581 C LYS A 109 7.873 -0.081 -9.907 1.00 0.00 C ATOM 582 O LYS A 109 8.361 -0.993 -10.575 1.00 0.00 O ATOM 583 CB LYS A 109 5.664 0.710 -10.777 1.00 0.00 C ATOM 584 CG LYS A 109 4.173 0.900 -10.549 1.00 0.00 C ATOM 585 CD LYS A 109 3.348 0.071 -11.519 1.00 0.00 C ATOM 586 CE LYS A 109 2.029 0.751 -11.853 1.00 0.00 C ATOM 587 NZ LYS A 109 0.943 0.347 -10.919 1.00 0.00 N ATOM 0 H LYS A 109 5.670 1.549 -8.447 1.00 0.00 H new ATOM 0 HA LYS A 109 5.994 -1.050 -9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.130 1.687 -10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.813 0.157 -11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.922 0.620 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.918 1.954 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.916 -0.092 -12.435 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.153 -0.910 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.158 1.833 -11.813 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.741 0.502 -12.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.061 0.832 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.802 -0.682 -10.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.206 0.608 -9.947 1.00 0.00 H new ATOM 601 N ASN A 110 8.599 0.902 -9.386 1.00 0.00 N ATOM 602 CA ASN A 110 10.044 0.965 -9.572 1.00 0.00 C ATOM 603 C ASN A 110 10.772 0.197 -8.475 1.00 0.00 C ATOM 604 O ASN A 110 11.857 -0.342 -8.696 1.00 0.00 O ATOM 605 CB ASN A 110 10.513 2.421 -9.588 1.00 0.00 C ATOM 606 CG ASN A 110 10.526 3.010 -10.984 1.00 0.00 C ATOM 607 OD1 ASN A 110 10.062 2.386 -11.938 1.00 0.00 O ATOM 608 ND2 ASN A 110 11.062 4.219 -11.112 1.00 0.00 N ATOM 0 H ASN A 110 8.211 1.666 -8.832 1.00 0.00 H new ATOM 0 HA ASN A 110 10.281 0.502 -10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.859 3.017 -8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.514 2.482 -9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.100 4.665 -12.028 1.00 0.00 H new ATOM 0 HD22 ASN A 110 11.435 4.701 -10.294 1.00 0.00 H new ATOM 615 N SER A 111 10.173 0.152 -7.290 1.00 0.00 N ATOM 616 CA SER A 111 10.768 -0.550 -6.158 1.00 0.00 C ATOM 617 C SER A 111 10.115 -1.913 -5.953 1.00 0.00 C ATOM 618 O SER A 111 9.894 -2.342 -4.821 1.00 0.00 O ATOM 619 CB SER A 111 10.636 0.290 -4.885 1.00 0.00 C ATOM 620 OG SER A 111 11.434 1.458 -4.959 1.00 0.00 O ATOM 0 H SER A 111 9.276 0.593 -7.088 1.00 0.00 H new ATOM 0 HA SER A 111 11.825 -0.706 -6.376 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.593 0.568 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.935 -0.304 -4.021 1.00 0.00 H new ATOM 0 HG SER A 111 11.330 1.978 -4.135 1.00 0.00 H new ATOM 626 N VAL A 112 9.811 -2.591 -7.054 1.00 0.00 N ATOM 627 CA VAL A 112 9.186 -3.906 -6.992 1.00 0.00 C ATOM 628 C VAL A 112 10.188 -5.005 -7.335 1.00 0.00 C ATOM 629 O VAL A 112 11.100 -4.801 -8.135 1.00 0.00 O ATOM 630 CB VAL A 112 7.979 -4.001 -7.947 1.00 0.00 C ATOM 631 CG1 VAL A 112 8.418 -3.821 -9.393 1.00 0.00 C ATOM 632 CG2 VAL A 112 7.252 -5.324 -7.761 1.00 0.00 C ATOM 0 H VAL A 112 9.987 -2.252 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 112 8.837 -4.045 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 112 7.286 -3.195 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.550 -3.892 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.884 -2.843 -9.513 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.135 -4.599 -9.655 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.404 -5.372 -8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 112 7.935 -6.147 -7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.896 -5.402 -6.734 1.00 0.00 H new ATOM 642 N CYS A 113 10.008 -6.168 -6.721 1.00 0.00 N ATOM 643 CA CYS A 113 10.895 -7.304 -6.957 1.00 0.00 C ATOM 644 C CYS A 113 10.310 -8.246 -8.007 1.00 0.00 C ATOM 645 O CYS A 113 10.500 -9.461 -7.940 1.00 0.00 O ATOM 646 CB CYS A 113 11.141 -8.060 -5.648 1.00 0.00 C ATOM 647 SG CYS A 113 12.799 -7.800 -4.942 1.00 0.00 S ATOM 0 H CYS A 113 9.257 -6.351 -6.056 1.00 0.00 H new ATOM 0 HA CYS A 113 11.845 -6.923 -7.333 1.00 0.00 H new ATOM 0 HB2 CYS A 113 10.394 -7.752 -4.917 1.00 0.00 H new ATOM 0 HB3 CYS A 113 10.995 -9.126 -5.823 1.00 0.00 H new ATOM 652 N ALA A 114 9.598 -7.679 -8.977 1.00 0.00 N ATOM 653 CA ALA A 114 8.988 -8.468 -10.041 1.00 0.00 C ATOM 654 C ALA A 114 8.103 -9.571 -9.472 1.00 0.00 C ATOM 655 O ALA A 114 8.098 -10.698 -9.969 1.00 0.00 O ATOM 656 CB ALA A 114 10.064 -9.064 -10.938 1.00 0.00 C ATOM 0 H ALA A 114 9.430 -6.675 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 114 8.359 -7.805 -10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 114 9.595 -9.651 -11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.653 -8.262 -11.382 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.716 -9.707 -10.347 1.00 0.00 H new ATOM 662 N GLY A 115 7.353 -9.241 -8.425 1.00 0.00 N ATOM 663 CA GLY A 115 6.475 -10.215 -7.804 1.00 0.00 C ATOM 664 C GLY A 115 7.230 -11.419 -7.273 1.00 0.00 C ATOM 665 O GLY A 115 7.179 -12.496 -7.863 1.00 0.00 O ATOM 0 H GLY A 115 7.338 -8.316 -7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.931 -9.741 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.733 -10.546 -8.530 1.00 0.00 H new ATOM 669 N PRO A 116 7.948 -11.262 -6.147 1.00 0.00 N ATOM 670 CA PRO A 116 8.717 -12.357 -5.544 1.00 0.00 C ATOM 671 C PRO A 116 7.819 -13.438 -4.951 1.00 0.00 C ATOM 672 O PRO A 116 8.070 -14.629 -5.126 1.00 0.00 O ATOM 673 CB PRO A 116 9.519 -11.663 -4.440 1.00 0.00 C ATOM 674 CG PRO A 116 8.722 -10.451 -4.096 1.00 0.00 C ATOM 675 CD PRO A 116 8.066 -10.011 -5.376 1.00 0.00 C ATOM 0 HA PRO A 116 9.336 -12.873 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 116 9.645 -12.313 -3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 116 10.518 -11.395 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 116 7.977 -10.677 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.361 -9.665 -3.694 1.00 0.00 H new ATOM 0 HD2 PRO A 116 7.091 -9.558 -5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 116 8.668 -9.270 -5.902 1.00 0.00 H new ATOM 683 N GLU A 117 6.773 -13.012 -4.250 1.00 0.00 N ATOM 684 CA GLU A 117 5.839 -13.946 -3.632 1.00 0.00 C ATOM 685 C GLU A 117 4.404 -13.440 -3.752 1.00 0.00 C ATOM 686 O GLU A 117 3.593 -14.012 -4.479 1.00 0.00 O ATOM 687 CB GLU A 117 6.200 -14.159 -2.159 1.00 0.00 C ATOM 688 CG GLU A 117 6.828 -15.515 -1.879 1.00 0.00 C ATOM 689 CD GLU A 117 5.812 -16.641 -1.894 1.00 0.00 C ATOM 690 OE1 GLU A 117 4.607 -16.354 -1.741 1.00 0.00 O ATOM 691 OE2 GLU A 117 6.222 -17.809 -2.059 1.00 0.00 O ATOM 0 H GLU A 117 6.551 -12.028 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 117 5.912 -14.898 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.890 -13.376 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.300 -14.052 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.598 -15.715 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.322 -15.489 -0.908 1.00 0.00 H new ATOM 698 N ASP A 118 4.098 -12.366 -3.032 1.00 0.00 N ATOM 699 CA ASP A 118 2.762 -11.783 -3.057 1.00 0.00 C ATOM 700 C ASP A 118 2.822 -10.279 -2.812 1.00 0.00 C ATOM 701 O ASP A 118 2.243 -9.493 -3.564 1.00 0.00 O ATOM 702 CB ASP A 118 1.876 -12.448 -2.002 1.00 0.00 C ATOM 703 CG ASP A 118 0.412 -12.085 -2.163 1.00 0.00 C ATOM 704 OD1 ASP A 118 -0.018 -11.848 -3.312 1.00 0.00 O ATOM 705 OD2 ASP A 118 -0.303 -12.037 -1.141 1.00 0.00 O ATOM 0 H ASP A 118 4.758 -11.881 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 118 2.333 -11.956 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.988 -13.530 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 118 2.214 -12.152 -1.009 1.00 0.00 H new ATOM 710 N ASN A 119 3.527 -9.885 -1.757 1.00 0.00 N ATOM 711 CA ASN A 119 3.666 -8.476 -1.411 1.00 0.00 C ATOM 712 C ASN A 119 5.059 -8.188 -0.862 1.00 0.00 C ATOM 713 O ASN A 119 5.390 -8.580 0.257 1.00 0.00 O ATOM 714 CB ASN A 119 2.605 -8.074 -0.383 1.00 0.00 C ATOM 715 CG ASN A 119 1.345 -7.534 -1.031 1.00 0.00 C ATOM 716 OD1 ASN A 119 0.475 -8.297 -1.452 1.00 0.00 O ATOM 717 ND2 ASN A 119 1.242 -6.214 -1.115 1.00 0.00 N ATOM 0 H ASN A 119 4.012 -10.523 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 119 3.523 -7.888 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 119 2.352 -8.939 0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.019 -7.319 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.417 -5.793 -1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 119 1.988 -5.620 -0.753 1.00 0.00 H new ATOM 724 N SER A 120 5.874 -7.503 -1.658 1.00 0.00 N ATOM 725 CA SER A 120 7.232 -7.166 -1.250 1.00 0.00 C ATOM 726 C SER A 120 7.709 -5.890 -1.937 1.00 0.00 C ATOM 727 O SER A 120 7.033 -5.356 -2.817 1.00 0.00 O ATOM 728 CB SER A 120 8.183 -8.319 -1.573 1.00 0.00 C ATOM 729 OG SER A 120 8.330 -9.187 -0.463 1.00 0.00 O ATOM 0 H SER A 120 5.618 -7.171 -2.588 1.00 0.00 H new ATOM 0 HA SER A 120 7.229 -6.996 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.803 -8.879 -2.428 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.157 -7.922 -1.859 1.00 0.00 H new ATOM 0 HG SER A 120 7.493 -9.213 0.045 1.00 0.00 H new ATOM 735 N VAL A 121 8.877 -5.407 -1.526 1.00 0.00 N ATOM 736 CA VAL A 121 9.449 -4.194 -2.100 1.00 0.00 C ATOM 737 C VAL A 121 10.965 -4.312 -2.222 1.00 0.00 C ATOM 738 O VAL A 121 11.594 -5.104 -1.520 1.00 0.00 O ATOM 739 CB VAL A 121 9.110 -2.956 -1.246 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.463 -1.677 -1.991 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.641 -2.961 -0.854 1.00 0.00 C ATOM 0 H VAL A 121 9.446 -5.837 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 121 9.013 -4.073 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 121 9.707 -2.996 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.216 -0.815 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.530 -1.669 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.896 -1.629 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.422 -2.079 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.025 -2.949 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.422 -3.859 -0.276 1.00 0.00 H new ATOM 751 N CYS A 122 11.547 -3.517 -3.114 1.00 0.00 N ATOM 752 CA CYS A 122 12.991 -3.535 -3.325 1.00 0.00 C ATOM 753 C CYS A 122 13.623 -2.233 -2.841 1.00 0.00 C ATOM 754 O CYS A 122 13.226 -1.144 -3.259 1.00 0.00 O ATOM 755 CB CYS A 122 13.309 -3.755 -4.807 1.00 0.00 C ATOM 756 SG CYS A 122 15.087 -3.724 -5.208 1.00 0.00 S ATOM 0 H CYS A 122 11.042 -2.853 -3.702 1.00 0.00 H new ATOM 0 HA CYS A 122 13.411 -4.359 -2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.896 -4.715 -5.116 1.00 0.00 H new ATOM 0 HB3 CYS A 122 12.803 -2.987 -5.393 1.00 0.00 H new ATOM 761 N CYS A 123 14.604 -2.356 -1.953 1.00 0.00 N ATOM 762 CA CYS A 123 15.290 -1.193 -1.403 1.00 0.00 C ATOM 763 C CYS A 123 16.786 -1.257 -1.693 1.00 0.00 C ATOM 764 O CYS A 123 17.457 -2.227 -1.337 1.00 0.00 O ATOM 765 CB CYS A 123 15.055 -1.108 0.105 1.00 0.00 C ATOM 766 SG CYS A 123 13.319 -1.361 0.603 1.00 0.00 S ATOM 0 H CYS A 123 14.942 -3.251 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 123 14.884 -0.301 -1.880 1.00 0.00 H new ATOM 0 HB2 CYS A 123 15.677 -1.853 0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.385 -0.131 0.459 1.00 0.00 H new ATOM 771 N GLY A 124 17.305 -0.219 -2.339 1.00 0.00 N ATOM 772 CA GLY A 124 18.718 -0.178 -2.664 1.00 0.00 C ATOM 773 C GLY A 124 19.343 1.171 -2.364 1.00 0.00 C ATOM 774 O GLY A 124 18.616 2.070 -1.890 1.00 0.00 O ATOM 775 OXT GLY A 124 20.559 1.328 -2.603 1.00 0.00 O ATOM 0 H GLY A 124 16.772 0.595 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.240 -0.951 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.852 -0.410 -3.721 1.00 0.00 H new TER 779 GLY A 124