USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 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= 0.0478 USER MOD Single : A 75 THR OG1 : rot 105:sc= -1.52 USER MOD Single : A 78 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= 0.14 (180deg=0.0162) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.099) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -148:sc= -0.0819 (180deg=-0.894) USER MOD Single : A 110 ASN : amide:sc= -0.0868 X(o=-0.087,f=0) USER MOD Single : A 111 SER OG : rot 76:sc= 0.0539 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.779 -10.707 0.765 1.00 0.00 N ATOM 2 CA LEU A 71 17.043 -11.104 -0.613 1.00 0.00 C ATOM 3 C LEU A 71 17.643 -9.948 -1.408 1.00 0.00 C ATOM 4 O LEU A 71 17.410 -8.782 -1.096 1.00 0.00 O ATOM 5 CB LEU A 71 15.754 -11.583 -1.284 1.00 0.00 C ATOM 6 CG LEU A 71 15.933 -12.716 -2.296 1.00 0.00 C ATOM 7 CD1 LEU A 71 14.719 -13.632 -2.292 1.00 0.00 C ATOM 8 CD2 LEU A 71 16.174 -12.150 -3.687 1.00 0.00 C ATOM 0 HA LEU A 71 17.763 -11.922 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.061 -11.914 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.289 -10.736 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 71 16.804 -13.304 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.864 -14.432 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.591 -14.062 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.830 -13.059 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.300 -12.968 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.321 -11.540 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.074 -11.536 -3.679 1.00 0.00 H new ATOM 20 N SER A 72 18.417 -10.279 -2.436 1.00 0.00 N ATOM 21 CA SER A 72 19.048 -9.266 -3.274 1.00 0.00 C ATOM 22 C SER A 72 18.156 -8.916 -4.462 1.00 0.00 C ATOM 23 O SER A 72 17.750 -9.793 -5.225 1.00 0.00 O ATOM 24 CB SER A 72 20.411 -9.755 -3.768 1.00 0.00 C ATOM 25 OG SER A 72 20.510 -11.167 -3.679 1.00 0.00 O ATOM 0 H SER A 72 18.622 -11.240 -2.709 1.00 0.00 H new ATOM 0 HA SER A 72 19.192 -8.369 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.561 -9.441 -4.801 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.202 -9.294 -3.177 1.00 0.00 H new ATOM 0 HG SER A 72 21.389 -11.454 -4.002 1.00 0.00 H new ATOM 31 N CYS A 73 17.852 -7.630 -4.613 1.00 0.00 N ATOM 32 CA CYS A 73 17.005 -7.170 -5.709 1.00 0.00 C ATOM 33 C CYS A 73 17.689 -6.065 -6.510 1.00 0.00 C ATOM 34 O CYS A 73 18.484 -5.293 -5.972 1.00 0.00 O ATOM 35 CB CYS A 73 15.665 -6.666 -5.165 1.00 0.00 C ATOM 36 SG CYS A 73 14.541 -6.003 -6.437 1.00 0.00 S ATOM 0 H CYS A 73 18.179 -6.890 -3.992 1.00 0.00 H new ATOM 0 HA CYS A 73 16.829 -8.015 -6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.166 -7.485 -4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.856 -5.889 -4.425 1.00 0.00 H new ATOM 41 N LEU A 74 17.368 -5.996 -7.798 1.00 0.00 N ATOM 42 CA LEU A 74 17.942 -4.985 -8.680 1.00 0.00 C ATOM 43 C LEU A 74 16.999 -3.794 -8.817 1.00 0.00 C ATOM 44 O LEU A 74 15.842 -3.947 -9.212 1.00 0.00 O ATOM 45 CB LEU A 74 18.233 -5.585 -10.057 1.00 0.00 C ATOM 46 CG LEU A 74 19.626 -6.204 -10.213 1.00 0.00 C ATOM 47 CD1 LEU A 74 19.552 -7.720 -10.120 1.00 0.00 C ATOM 48 CD2 LEU A 74 20.255 -5.780 -11.532 1.00 0.00 C ATOM 0 H LEU A 74 16.712 -6.629 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 74 18.878 -4.639 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.486 -6.350 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.112 -4.805 -10.809 1.00 0.00 H new ATOM 0 HG LEU A 74 20.255 -5.841 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.551 -8.141 -10.233 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.146 -8.006 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.906 -8.102 -10.910 1.00 0.00 H new ATOM 0 HD21 LEU A 74 21.244 -6.229 -11.625 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.626 -6.112 -12.358 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.346 -4.694 -11.559 1.00 0.00 H new ATOM 60 N THR A 75 17.500 -2.610 -8.488 1.00 0.00 N ATOM 61 CA THR A 75 16.705 -1.390 -8.571 1.00 0.00 C ATOM 62 C THR A 75 16.339 -1.082 -10.020 1.00 0.00 C ATOM 63 O THR A 75 16.907 -1.662 -10.943 1.00 0.00 O ATOM 64 CB THR A 75 17.479 -0.218 -7.966 1.00 0.00 C ATOM 65 OG1 THR A 75 18.860 -0.328 -8.257 1.00 0.00 O ATOM 66 CG2 THR A 75 17.334 -0.117 -6.463 1.00 0.00 C ATOM 0 H THR A 75 18.455 -2.468 -8.160 1.00 0.00 H new ATOM 0 HA THR A 75 15.784 -1.540 -8.007 1.00 0.00 H new ATOM 0 HB THR A 75 17.049 0.676 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.099 0.316 -8.956 1.00 0.00 H new ATOM 0 HG21 THR A 75 17.908 0.735 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.283 0.017 -6.207 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.707 -1.030 -5.999 1.00 0.00 H new ATOM 74 N PRO A 76 15.383 -0.162 -10.245 1.00 0.00 N ATOM 75 CA PRO A 76 14.958 0.215 -11.595 1.00 0.00 C ATOM 76 C PRO A 76 16.144 0.571 -12.486 1.00 0.00 C ATOM 77 O PRO A 76 16.071 0.457 -13.710 1.00 0.00 O ATOM 78 CB PRO A 76 14.060 1.445 -11.373 1.00 0.00 C ATOM 79 CG PRO A 76 14.261 1.840 -9.947 1.00 0.00 C ATOM 80 CD PRO A 76 14.644 0.585 -9.218 1.00 0.00 C ATOM 0 HA PRO A 76 14.447 -0.603 -12.103 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.334 2.257 -12.047 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.015 1.207 -11.570 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.041 2.596 -9.858 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.351 2.271 -9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.262 0.795 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.770 0.036 -8.866 1.00 0.00 H new ATOM 88 N ASP A 77 17.239 0.998 -11.861 1.00 0.00 N ATOM 89 CA ASP A 77 18.446 1.364 -12.592 1.00 0.00 C ATOM 90 C ASP A 77 19.442 0.203 -12.633 1.00 0.00 C ATOM 91 O ASP A 77 20.588 0.375 -13.044 1.00 0.00 O ATOM 92 CB ASP A 77 19.101 2.591 -11.952 1.00 0.00 C ATOM 93 CG ASP A 77 19.040 3.813 -12.847 1.00 0.00 C ATOM 94 OD1 ASP A 77 17.918 4.249 -13.180 1.00 0.00 O ATOM 95 OD2 ASP A 77 20.113 4.334 -13.213 1.00 0.00 O ATOM 0 H ASP A 77 17.313 1.099 -10.849 1.00 0.00 H new ATOM 0 HA ASP A 77 18.158 1.603 -13.616 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.606 2.812 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.142 2.365 -11.721 1.00 0.00 H new ATOM 100 N ASN A 78 18.994 -0.978 -12.206 1.00 0.00 N ATOM 101 CA ASN A 78 19.842 -2.164 -12.192 1.00 0.00 C ATOM 102 C ASN A 78 20.984 -2.014 -11.192 1.00 0.00 C ATOM 103 O ASN A 78 22.113 -2.430 -11.453 1.00 0.00 O ATOM 104 CB ASN A 78 20.399 -2.444 -13.592 1.00 0.00 C ATOM 105 CG ASN A 78 19.529 -3.405 -14.379 1.00 0.00 C ATOM 106 OD1 ASN A 78 18.699 -4.115 -13.811 1.00 0.00 O ATOM 107 ND2 ASN A 78 19.715 -3.430 -15.693 1.00 0.00 N ATOM 0 H ASN A 78 18.046 -1.136 -11.865 1.00 0.00 H new ATOM 0 HA ASN A 78 19.227 -3.009 -11.882 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.486 -1.506 -14.140 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.404 -2.857 -13.504 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.158 -4.056 -16.275 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.415 -2.823 -16.121 1.00 0.00 H new ATOM 114 N LYS A 79 20.677 -1.426 -10.042 1.00 0.00 N ATOM 115 CA LYS A 79 21.672 -1.229 -8.996 1.00 0.00 C ATOM 116 C LYS A 79 21.493 -2.271 -7.893 1.00 0.00 C ATOM 117 O LYS A 79 20.369 -2.551 -7.475 1.00 0.00 O ATOM 118 CB LYS A 79 21.565 0.180 -8.411 1.00 0.00 C ATOM 119 CG LYS A 79 22.911 0.818 -8.108 1.00 0.00 C ATOM 120 CD LYS A 79 23.340 0.561 -6.672 1.00 0.00 C ATOM 121 CE LYS A 79 23.113 1.781 -5.793 1.00 0.00 C ATOM 122 NZ LYS A 79 24.290 2.068 -4.926 1.00 0.00 N ATOM 0 H LYS A 79 19.747 -1.077 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 79 22.662 -1.347 -9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 79 21.021 0.814 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 79 20.977 0.140 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 79 23.664 0.422 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.854 1.892 -8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 79 22.783 -0.286 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 79 24.395 0.287 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 79 22.905 2.647 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 79 22.233 1.621 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 24.095 2.907 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 24.474 1.252 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 25.124 2.246 -5.521 1.00 0.00 H new ATOM 136 N PRO A 80 22.595 -2.866 -7.407 1.00 0.00 N ATOM 137 CA PRO A 80 22.540 -3.883 -6.353 1.00 0.00 C ATOM 138 C PRO A 80 21.875 -3.370 -5.083 1.00 0.00 C ATOM 139 O PRO A 80 22.328 -2.398 -4.479 1.00 0.00 O ATOM 140 CB PRO A 80 24.012 -4.225 -6.088 1.00 0.00 C ATOM 141 CG PRO A 80 24.792 -3.104 -6.688 1.00 0.00 C ATOM 142 CD PRO A 80 23.976 -2.603 -7.844 1.00 0.00 C ATOM 0 HA PRO A 80 21.944 -4.743 -6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.209 -4.313 -5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 80 24.282 -5.179 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 80 24.961 -2.312 -5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 80 25.772 -3.445 -7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 80 24.146 -1.543 -8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 80 24.216 -3.131 -8.767 1.00 0.00 H new ATOM 150 N GLY A 81 20.797 -4.035 -4.683 1.00 0.00 N ATOM 151 CA GLY A 81 20.082 -3.641 -3.485 1.00 0.00 C ATOM 152 C GLY A 81 19.558 -4.835 -2.712 1.00 0.00 C ATOM 153 O GLY A 81 20.049 -5.952 -2.877 1.00 0.00 O ATOM 0 H GLY A 81 20.405 -4.842 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 81 20.743 -3.058 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.249 -2.993 -3.758 1.00 0.00 H new ATOM 157 N LYS A 82 18.561 -4.600 -1.867 1.00 0.00 N ATOM 158 CA LYS A 82 17.975 -5.670 -1.067 1.00 0.00 C ATOM 159 C LYS A 82 16.453 -5.610 -1.111 1.00 0.00 C ATOM 160 O LYS A 82 15.869 -4.544 -1.295 1.00 0.00 O ATOM 161 CB LYS A 82 18.459 -5.578 0.381 1.00 0.00 C ATOM 162 CG LYS A 82 19.849 -6.154 0.594 1.00 0.00 C ATOM 163 CD LYS A 82 20.916 -5.072 0.529 1.00 0.00 C ATOM 164 CE LYS A 82 22.300 -5.667 0.316 1.00 0.00 C ATOM 165 NZ LYS A 82 22.727 -5.581 -1.107 1.00 0.00 N ATOM 0 H LYS A 82 18.142 -3.682 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 82 18.296 -6.622 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.456 -4.533 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.754 -6.103 1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.893 -6.652 1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.050 -6.911 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.687 -4.381 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.906 -4.493 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.021 -5.143 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.300 -6.710 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.425 -6.326 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.900 -5.706 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.155 -4.650 -1.285 1.00 0.00 H new ATOM 179 N CYS A 83 15.814 -6.763 -0.945 1.00 0.00 N ATOM 180 CA CYS A 83 14.358 -6.840 -0.967 1.00 0.00 C ATOM 181 C CYS A 83 13.811 -7.137 0.425 1.00 0.00 C ATOM 182 O CYS A 83 14.210 -8.109 1.068 1.00 0.00 O ATOM 183 CB CYS A 83 13.901 -7.922 -1.949 1.00 0.00 C ATOM 184 SG CYS A 83 12.092 -8.119 -2.049 1.00 0.00 S ATOM 0 H CYS A 83 16.281 -7.657 -0.794 1.00 0.00 H new ATOM 0 HA CYS A 83 13.970 -5.875 -1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.285 -7.683 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.344 -8.874 -1.656 1.00 0.00 H new ATOM 189 N VAL A 84 12.894 -6.291 0.883 1.00 0.00 N ATOM 190 CA VAL A 84 12.289 -6.457 2.197 1.00 0.00 C ATOM 191 C VAL A 84 10.798 -6.145 2.157 1.00 0.00 C ATOM 192 O VAL A 84 10.326 -5.426 1.275 1.00 0.00 O ATOM 193 CB VAL A 84 12.963 -5.552 3.246 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.413 -5.961 3.452 1.00 0.00 C ATOM 195 CG2 VAL A 84 12.866 -4.091 2.834 1.00 0.00 C ATOM 0 H VAL A 84 12.554 -5.483 0.362 1.00 0.00 H new ATOM 0 HA VAL A 84 12.433 -7.499 2.482 1.00 0.00 H new ATOM 0 HB VAL A 84 12.438 -5.673 4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.872 -5.310 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.454 -6.994 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.953 -5.872 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.348 -3.468 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.363 -3.950 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.817 -3.807 2.745 1.00 0.00 H new ATOM 205 N ASN A 85 10.056 -6.691 3.116 1.00 0.00 N ATOM 206 CA ASN A 85 8.616 -6.472 3.190 1.00 0.00 C ATOM 207 C ASN A 85 8.286 -4.982 3.218 1.00 0.00 C ATOM 208 O ASN A 85 9.179 -4.136 3.150 1.00 0.00 O ATOM 209 CB ASN A 85 8.039 -7.156 4.432 1.00 0.00 C ATOM 210 CG ASN A 85 7.524 -8.551 4.137 1.00 0.00 C ATOM 211 OD1 ASN A 85 6.321 -8.762 3.982 1.00 0.00 O ATOM 212 ND2 ASN A 85 8.436 -9.514 4.059 1.00 0.00 N ATOM 0 H ASN A 85 10.429 -7.289 3.853 1.00 0.00 H new ATOM 0 HA ASN A 85 8.165 -6.906 2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.807 -7.211 5.203 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.227 -6.549 4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.149 -10.473 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.423 -9.294 4.194 1.00 0.00 H new ATOM 219 N ILE A 86 6.999 -4.670 3.319 1.00 0.00 N ATOM 220 CA ILE A 86 6.545 -3.284 3.356 1.00 0.00 C ATOM 221 C ILE A 86 6.554 -2.728 4.779 1.00 0.00 C ATOM 222 O ILE A 86 6.103 -1.608 5.020 1.00 0.00 O ATOM 223 CB ILE A 86 5.128 -3.152 2.762 1.00 0.00 C ATOM 224 CG1 ILE A 86 4.079 -3.732 3.719 1.00 0.00 C ATOM 225 CG2 ILE A 86 5.064 -3.852 1.416 1.00 0.00 C ATOM 226 CD1 ILE A 86 3.178 -2.686 4.337 1.00 0.00 C ATOM 0 H ILE A 86 6.250 -5.360 3.377 1.00 0.00 H new ATOM 0 HA ILE A 86 7.243 -2.704 2.752 1.00 0.00 H new ATOM 0 HB ILE A 86 4.907 -2.094 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.466 -4.454 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.587 -4.277 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.060 -3.755 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.783 -3.397 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.303 -4.908 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.462 -3.169 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.780 -1.977 4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.642 -2.156 3.549 1.00 0.00 H new ATOM 238 N LYS A 87 7.067 -3.518 5.715 1.00 0.00 N ATOM 239 CA LYS A 87 7.134 -3.106 7.113 1.00 0.00 C ATOM 240 C LYS A 87 8.563 -3.197 7.642 1.00 0.00 C ATOM 241 O LYS A 87 8.783 -3.316 8.848 1.00 0.00 O ATOM 242 CB LYS A 87 6.207 -3.972 7.967 1.00 0.00 C ATOM 243 CG LYS A 87 6.585 -5.443 7.973 1.00 0.00 C ATOM 244 CD LYS A 87 5.372 -6.330 8.207 1.00 0.00 C ATOM 245 CE LYS A 87 5.694 -7.478 9.152 1.00 0.00 C ATOM 246 NZ LYS A 87 4.492 -8.300 9.460 1.00 0.00 N ATOM 0 H LYS A 87 7.443 -4.448 5.531 1.00 0.00 H new ATOM 0 HA LYS A 87 6.809 -2.067 7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.216 -3.599 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.186 -3.869 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.050 -5.704 7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.326 -5.626 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.559 -5.734 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.022 -6.729 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.461 -8.111 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.108 -7.080 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.755 -9.071 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.769 -7.703 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.111 -8.702 8.579 1.00 0.00 H new ATOM 260 N LYS A 88 9.530 -3.139 6.733 1.00 0.00 N ATOM 261 CA LYS A 88 10.937 -3.215 7.105 1.00 0.00 C ATOM 262 C LYS A 88 11.716 -2.039 6.527 1.00 0.00 C ATOM 263 O LYS A 88 12.584 -1.469 7.189 1.00 0.00 O ATOM 264 CB LYS A 88 11.546 -4.532 6.624 1.00 0.00 C ATOM 265 CG LYS A 88 12.736 -4.991 7.447 1.00 0.00 C ATOM 266 CD LYS A 88 12.305 -5.870 8.610 1.00 0.00 C ATOM 267 CE LYS A 88 12.479 -7.345 8.286 1.00 0.00 C ATOM 268 NZ LYS A 88 13.738 -7.895 8.860 1.00 0.00 N ATOM 0 H LYS A 88 9.364 -3.039 5.732 1.00 0.00 H new ATOM 0 HA LYS A 88 11.001 -3.172 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.779 -5.306 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.855 -4.421 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.429 -5.542 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.274 -4.122 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.891 -5.619 9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.261 -5.670 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.628 -7.905 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.483 -7.481 7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.819 -8.903 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.552 -7.378 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.723 -7.789 9.894 1.00 0.00 H new ATOM 282 N CYS A 89 11.400 -1.678 5.286 1.00 0.00 N ATOM 283 CA CYS A 89 12.071 -0.567 4.620 1.00 0.00 C ATOM 284 C CYS A 89 11.677 0.764 5.253 1.00 0.00 C ATOM 285 O CYS A 89 10.499 1.018 5.507 1.00 0.00 O ATOM 286 CB CYS A 89 11.731 -0.558 3.127 1.00 0.00 C ATOM 287 SG CYS A 89 13.077 0.058 2.064 1.00 0.00 S ATOM 0 H CYS A 89 10.685 -2.138 4.723 1.00 0.00 H new ATOM 0 HA CYS A 89 13.146 -0.700 4.738 1.00 0.00 H new ATOM 0 HB2 CYS A 89 11.472 -1.571 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.846 0.059 2.970 1.00 0.00 H new ATOM 292 N THR A 90 12.669 1.611 5.507 1.00 0.00 N ATOM 293 CA THR A 90 12.427 2.915 6.112 1.00 0.00 C ATOM 294 C THR A 90 11.622 3.812 5.178 1.00 0.00 C ATOM 295 O THR A 90 10.835 4.646 5.627 1.00 0.00 O ATOM 296 CB THR A 90 13.754 3.588 6.467 1.00 0.00 C ATOM 297 OG1 THR A 90 14.553 3.764 5.311 1.00 0.00 O ATOM 298 CG2 THR A 90 14.570 2.809 7.474 1.00 0.00 C ATOM 0 H THR A 90 13.649 1.417 5.303 1.00 0.00 H new ATOM 0 HA THR A 90 11.848 2.762 7.023 1.00 0.00 H new ATOM 0 HB THR A 90 13.481 4.547 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.396 4.197 5.559 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.498 3.342 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.001 2.700 8.397 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.800 1.823 7.071 1.00 0.00 H new ATOM 306 N HIS A 91 11.826 3.639 3.875 1.00 0.00 N ATOM 307 CA HIS A 91 11.119 4.436 2.879 1.00 0.00 C ATOM 308 C HIS A 91 9.610 4.266 3.014 1.00 0.00 C ATOM 309 O HIS A 91 8.846 5.200 2.773 1.00 0.00 O ATOM 310 CB HIS A 91 11.567 4.042 1.470 1.00 0.00 C ATOM 311 CG HIS A 91 12.685 4.887 0.941 1.00 0.00 C ATOM 312 ND1 HIS A 91 13.601 4.431 0.017 1.00 0.00 N ATOM 313 CD2 HIS A 91 13.032 6.167 1.211 1.00 0.00 C ATOM 314 CE1 HIS A 91 14.463 5.394 -0.258 1.00 0.00 C ATOM 315 NE2 HIS A 91 14.139 6.457 0.453 1.00 0.00 N ATOM 0 H HIS A 91 12.474 2.955 3.485 1.00 0.00 H new ATOM 0 HA HIS A 91 11.362 5.485 3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 91 11.882 2.999 1.476 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.716 4.114 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.531 6.836 1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.291 5.323 -0.947 1.00 0.00 H new ATOM 0 HE2 HIS A 91 14.632 7.350 0.441 1.00 0.00 H new ATOM 324 N LEU A 92 9.187 3.067 3.402 1.00 0.00 N ATOM 325 CA LEU A 92 7.769 2.777 3.572 1.00 0.00 C ATOM 326 C LEU A 92 7.201 3.531 4.769 1.00 0.00 C ATOM 327 O LEU A 92 6.085 4.049 4.719 1.00 0.00 O ATOM 328 CB LEU A 92 7.550 1.272 3.747 1.00 0.00 C ATOM 329 CG LEU A 92 7.226 0.511 2.462 1.00 0.00 C ATOM 330 CD1 LEU A 92 5.869 0.935 1.919 1.00 0.00 C ATOM 331 CD2 LEU A 92 8.312 0.736 1.421 1.00 0.00 C ATOM 0 H LEU A 92 9.806 2.282 3.604 1.00 0.00 H new ATOM 0 HA LEU A 92 7.245 3.109 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.446 0.839 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.737 1.119 4.457 1.00 0.00 H new ATOM 0 HG LEU A 92 7.186 -0.554 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.655 0.383 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.098 0.723 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.881 2.003 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.065 0.187 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.383 1.800 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.267 0.383 1.810 1.00 0.00 H new ATOM 343 N ALA A 93 7.978 3.589 5.843 1.00 0.00 N ATOM 344 CA ALA A 93 7.558 4.280 7.055 1.00 0.00 C ATOM 345 C ALA A 93 7.409 5.778 6.810 1.00 0.00 C ATOM 346 O ALA A 93 6.544 6.430 7.395 1.00 0.00 O ATOM 347 CB ALA A 93 8.550 4.025 8.181 1.00 0.00 C ATOM 0 H ALA A 93 8.904 3.165 5.899 1.00 0.00 H new ATOM 0 HA ALA A 93 6.584 3.887 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.223 4.548 9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.604 2.955 8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.535 4.389 7.888 1.00 0.00 H new ATOM 353 N GLU A 94 8.258 6.318 5.942 1.00 0.00 N ATOM 354 CA GLU A 94 8.221 7.739 5.619 1.00 0.00 C ATOM 355 C GLU A 94 6.941 8.096 4.874 1.00 0.00 C ATOM 356 O GLU A 94 6.351 9.153 5.100 1.00 0.00 O ATOM 357 CB GLU A 94 9.438 8.127 4.778 1.00 0.00 C ATOM 358 CG GLU A 94 9.529 9.616 4.491 1.00 0.00 C ATOM 359 CD GLU A 94 10.616 9.952 3.489 1.00 0.00 C ATOM 360 OE1 GLU A 94 10.584 9.397 2.370 1.00 0.00 O ATOM 361 OE2 GLU A 94 11.499 10.770 3.822 1.00 0.00 O ATOM 0 H GLU A 94 8.980 5.792 5.450 1.00 0.00 H new ATOM 0 HA GLU A 94 8.243 8.297 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.343 7.809 5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.404 7.585 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.570 9.968 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.720 10.150 5.422 1.00 0.00 H new ATOM 368 N ILE A 95 6.515 7.206 3.985 1.00 0.00 N ATOM 369 CA ILE A 95 5.302 7.424 3.206 1.00 0.00 C ATOM 370 C ILE A 95 4.063 7.358 4.093 1.00 0.00 C ATOM 371 O ILE A 95 3.103 8.103 3.893 1.00 0.00 O ATOM 372 CB ILE A 95 5.167 6.388 2.073 1.00 0.00 C ATOM 373 CG1 ILE A 95 6.453 6.333 1.243 1.00 0.00 C ATOM 374 CG2 ILE A 95 3.976 6.721 1.185 1.00 0.00 C ATOM 375 CD1 ILE A 95 6.691 4.992 0.587 1.00 0.00 C ATOM 0 H ILE A 95 6.992 6.327 3.786 1.00 0.00 H new ATOM 0 HA ILE A 95 5.380 8.419 2.768 1.00 0.00 H new ATOM 0 HB ILE A 95 5.001 5.408 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.412 7.103 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.301 6.570 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.896 5.979 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.064 6.714 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.114 7.709 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.619 5.026 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.764 4.220 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.862 4.762 -0.082 1.00 0.00 H new ATOM 387 N GLU A 96 4.094 6.463 5.073 1.00 0.00 N ATOM 388 CA GLU A 96 2.974 6.296 5.992 1.00 0.00 C ATOM 389 C GLU A 96 2.850 7.498 6.924 1.00 0.00 C ATOM 390 O GLU A 96 1.752 7.858 7.347 1.00 0.00 O ATOM 391 CB GLU A 96 3.148 5.016 6.811 1.00 0.00 C ATOM 392 CG GLU A 96 2.416 3.818 6.230 1.00 0.00 C ATOM 393 CD GLU A 96 1.182 3.446 7.027 1.00 0.00 C ATOM 394 OE1 GLU A 96 1.332 3.036 8.198 1.00 0.00 O ATOM 395 OE2 GLU A 96 0.065 3.564 6.482 1.00 0.00 O ATOM 0 H GLU A 96 4.883 5.841 5.252 1.00 0.00 H new ATOM 0 HA GLU A 96 2.060 6.221 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.210 4.782 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.791 5.192 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.128 4.037 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.093 2.965 6.196 1.00 0.00 H new ATOM 402 N GLU A 97 3.984 8.113 7.244 1.00 0.00 N ATOM 403 CA GLU A 97 4.001 9.273 8.127 1.00 0.00 C ATOM 404 C GLU A 97 3.673 10.549 7.361 1.00 0.00 C ATOM 405 O GLU A 97 2.960 11.420 7.859 1.00 0.00 O ATOM 406 CB GLU A 97 5.369 9.406 8.801 1.00 0.00 C ATOM 407 CG GLU A 97 5.315 10.100 10.153 1.00 0.00 C ATOM 408 CD GLU A 97 5.100 9.130 11.299 1.00 0.00 C ATOM 409 OE1 GLU A 97 3.965 8.633 11.449 1.00 0.00 O ATOM 410 OE2 GLU A 97 6.067 8.867 12.043 1.00 0.00 O ATOM 0 H GLU A 97 4.903 7.827 6.905 1.00 0.00 H new ATOM 0 HA GLU A 97 3.238 9.126 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.800 8.413 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.037 9.962 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.244 10.646 10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.510 10.835 10.148 1.00 0.00 H new ATOM 417 N ASP A 98 4.199 10.652 6.146 1.00 0.00 N ATOM 418 CA ASP A 98 3.962 11.823 5.307 1.00 0.00 C ATOM 419 C ASP A 98 4.649 11.674 3.954 1.00 0.00 C ATOM 420 O ASP A 98 5.853 11.898 3.834 1.00 0.00 O ATOM 421 CB ASP A 98 4.467 13.092 5.998 1.00 0.00 C ATOM 422 CG ASP A 98 5.765 12.871 6.752 1.00 0.00 C ATOM 423 OD1 ASP A 98 5.713 12.358 7.889 1.00 0.00 O ATOM 424 OD2 ASP A 98 6.834 13.211 6.203 1.00 0.00 O ATOM 0 H ASP A 98 4.792 9.940 5.719 1.00 0.00 H new ATOM 0 HA ASP A 98 2.887 11.904 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.613 13.873 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.706 13.451 6.691 1.00 0.00 H new ATOM 429 N PRO A 99 3.894 11.293 2.911 1.00 0.00 N ATOM 430 CA PRO A 99 4.446 11.119 1.572 1.00 0.00 C ATOM 431 C PRO A 99 4.598 12.443 0.831 1.00 0.00 C ATOM 432 O PRO A 99 3.609 13.066 0.443 1.00 0.00 O ATOM 433 CB PRO A 99 3.408 10.235 0.888 1.00 0.00 C ATOM 434 CG PRO A 99 2.117 10.606 1.535 1.00 0.00 C ATOM 435 CD PRO A 99 2.446 11.000 2.953 1.00 0.00 C ATOM 0 HA PRO A 99 5.449 10.692 1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 99 3.380 10.415 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.633 9.178 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.640 11.430 1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.419 9.769 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.871 11.870 3.270 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.221 10.196 3.654 1.00 0.00 H new ATOM 443 N ILE A 100 5.842 12.868 0.637 1.00 0.00 N ATOM 444 CA ILE A 100 6.124 14.118 -0.058 1.00 0.00 C ATOM 445 C ILE A 100 6.556 13.859 -1.498 1.00 0.00 C ATOM 446 O ILE A 100 7.350 12.959 -1.766 1.00 0.00 O ATOM 447 CB ILE A 100 7.221 14.927 0.660 1.00 0.00 C ATOM 448 CG1 ILE A 100 8.518 14.118 0.735 1.00 0.00 C ATOM 449 CG2 ILE A 100 6.758 15.328 2.052 1.00 0.00 C ATOM 450 CD1 ILE A 100 9.654 14.858 1.408 1.00 0.00 C ATOM 0 H ILE A 100 6.671 12.364 0.952 1.00 0.00 H new ATOM 0 HA ILE A 100 5.200 14.697 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 100 7.415 15.834 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.328 13.191 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.823 13.841 -0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.544 15.899 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.859 15.940 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.538 14.433 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.541 14.225 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.871 15.772 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.369 15.111 2.429 1.00 0.00 H new ATOM 462 N GLY A 101 6.026 14.657 -2.419 1.00 0.00 N ATOM 463 CA GLY A 101 6.368 14.500 -3.820 1.00 0.00 C ATOM 464 C GLY A 101 5.862 13.193 -4.398 1.00 0.00 C ATOM 465 O GLY A 101 6.311 12.116 -4.004 1.00 0.00 O ATOM 0 H GLY A 101 5.366 15.409 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.950 15.331 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.451 14.549 -3.934 1.00 0.00 H new ATOM 469 N GLU A 102 4.927 13.286 -5.337 1.00 0.00 N ATOM 470 CA GLU A 102 4.360 12.101 -5.973 1.00 0.00 C ATOM 471 C GLU A 102 5.444 11.284 -6.668 1.00 0.00 C ATOM 472 O GLU A 102 5.332 10.065 -6.791 1.00 0.00 O ATOM 473 CB GLU A 102 3.282 12.504 -6.981 1.00 0.00 C ATOM 474 CG GLU A 102 2.137 11.509 -7.078 1.00 0.00 C ATOM 475 CD GLU A 102 0.797 12.182 -7.300 1.00 0.00 C ATOM 476 OE1 GLU A 102 0.507 13.173 -6.599 1.00 0.00 O ATOM 477 OE2 GLU A 102 0.039 11.719 -8.178 1.00 0.00 O ATOM 0 H GLU A 102 4.545 14.169 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 102 3.908 11.484 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.882 13.479 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.739 12.616 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.331 10.816 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.095 10.918 -6.163 1.00 0.00 H new ATOM 484 N ASP A 103 6.494 11.963 -7.120 1.00 0.00 N ATOM 485 CA ASP A 103 7.599 11.300 -7.802 1.00 0.00 C ATOM 486 C ASP A 103 8.236 10.241 -6.908 1.00 0.00 C ATOM 487 O ASP A 103 8.745 9.230 -7.391 1.00 0.00 O ATOM 488 CB ASP A 103 8.652 12.324 -8.228 1.00 0.00 C ATOM 489 CG ASP A 103 8.999 13.297 -7.118 1.00 0.00 C ATOM 490 OD1 ASP A 103 8.669 13.006 -5.948 1.00 0.00 O ATOM 491 OD2 ASP A 103 9.601 14.350 -7.417 1.00 0.00 O ATOM 0 H ASP A 103 6.602 12.973 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 103 7.200 10.808 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.555 11.802 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.286 12.879 -9.092 1.00 0.00 H new ATOM 496 N GLU A 104 8.202 10.479 -5.601 1.00 0.00 N ATOM 497 CA GLU A 104 8.775 9.545 -4.639 1.00 0.00 C ATOM 498 C GLU A 104 7.908 8.297 -4.512 1.00 0.00 C ATOM 499 O GLU A 104 8.417 7.190 -4.341 1.00 0.00 O ATOM 500 CB GLU A 104 8.928 10.216 -3.272 1.00 0.00 C ATOM 501 CG GLU A 104 10.185 9.800 -2.527 1.00 0.00 C ATOM 502 CD GLU A 104 10.340 10.516 -1.200 1.00 0.00 C ATOM 503 OE1 GLU A 104 9.919 11.689 -1.106 1.00 0.00 O ATOM 504 OE2 GLU A 104 10.880 9.905 -0.255 1.00 0.00 O ATOM 0 H GLU A 104 7.784 11.311 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 104 9.759 9.247 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.937 11.298 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.058 9.978 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.161 8.724 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.056 10.004 -3.150 1.00 0.00 H new ATOM 511 N THR A 105 6.597 8.484 -4.598 1.00 0.00 N ATOM 512 CA THR A 105 5.658 7.373 -4.496 1.00 0.00 C ATOM 513 C THR A 105 5.744 6.477 -5.726 1.00 0.00 C ATOM 514 O THR A 105 5.562 5.263 -5.636 1.00 0.00 O ATOM 515 CB THR A 105 4.231 7.896 -4.328 1.00 0.00 C ATOM 516 OG1 THR A 105 4.222 9.107 -3.593 1.00 0.00 O ATOM 517 CG2 THR A 105 3.315 6.922 -3.618 1.00 0.00 C ATOM 0 H THR A 105 6.159 9.395 -4.738 1.00 0.00 H new ATOM 0 HA THR A 105 5.924 6.783 -3.619 1.00 0.00 H new ATOM 0 HB THR A 105 3.859 8.047 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.300 9.425 -3.498 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.319 7.356 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.259 5.994 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.707 6.714 -2.622 1.00 0.00 H new ATOM 525 N THR A 106 6.026 7.083 -6.874 1.00 0.00 N ATOM 526 CA THR A 106 6.138 6.340 -8.123 1.00 0.00 C ATOM 527 C THR A 106 7.408 5.496 -8.135 1.00 0.00 C ATOM 528 O THR A 106 7.432 4.401 -8.695 1.00 0.00 O ATOM 529 CB THR A 106 6.135 7.298 -9.316 1.00 0.00 C ATOM 530 OG1 THR A 106 5.268 8.392 -9.076 1.00 0.00 O ATOM 531 CG2 THR A 106 5.702 6.643 -10.608 1.00 0.00 C ATOM 0 H THR A 106 6.181 8.087 -6.965 1.00 0.00 H new ATOM 0 HA THR A 106 5.278 5.675 -8.202 1.00 0.00 H new ATOM 0 HB THR A 106 7.168 7.629 -9.425 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.280 8.995 -9.849 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.722 7.378 -11.413 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.381 5.824 -10.846 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.690 6.254 -10.497 1.00 0.00 H new ATOM 539 N TYR A 107 8.461 6.013 -7.511 1.00 0.00 N ATOM 540 CA TYR A 107 9.733 5.306 -7.448 1.00 0.00 C ATOM 541 C TYR A 107 9.604 4.037 -6.613 1.00 0.00 C ATOM 542 O TYR A 107 10.190 3.005 -6.938 1.00 0.00 O ATOM 543 CB TYR A 107 10.817 6.212 -6.858 1.00 0.00 C ATOM 544 CG TYR A 107 12.218 5.663 -7.018 1.00 0.00 C ATOM 545 CD1 TYR A 107 12.670 5.209 -8.252 1.00 0.00 C ATOM 546 CD2 TYR A 107 13.088 5.601 -5.937 1.00 0.00 C ATOM 547 CE1 TYR A 107 13.949 4.708 -8.401 1.00 0.00 C ATOM 548 CE2 TYR A 107 14.368 5.103 -6.079 1.00 0.00 C ATOM 549 CZ TYR A 107 14.794 4.658 -7.312 1.00 0.00 C ATOM 550 OH TYR A 107 16.067 4.159 -7.458 1.00 0.00 O ATOM 0 H TYR A 107 8.458 6.919 -7.042 1.00 0.00 H new ATOM 0 HA TYR A 107 10.018 5.027 -8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.762 7.190 -7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.614 6.364 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 107 12.011 5.249 -9.107 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.758 5.948 -4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 107 14.285 4.357 -9.365 1.00 0.00 H new ATOM 0 HE2 TYR A 107 15.032 5.062 -5.228 1.00 0.00 H new ATOM 0 HH TYR A 107 16.533 4.194 -6.597 1.00 0.00 H new ATOM 560 N LEU A 108 8.825 4.123 -5.539 1.00 0.00 N ATOM 561 CA LEU A 108 8.613 2.982 -4.659 1.00 0.00 C ATOM 562 C LEU A 108 7.911 1.853 -5.405 1.00 0.00 C ATOM 563 O LEU A 108 8.305 0.689 -5.310 1.00 0.00 O ATOM 564 CB LEU A 108 7.784 3.398 -3.440 1.00 0.00 C ATOM 565 CG LEU A 108 8.597 3.745 -2.192 1.00 0.00 C ATOM 566 CD1 LEU A 108 9.227 2.494 -1.602 1.00 0.00 C ATOM 567 CD2 LEU A 108 9.664 4.779 -2.519 1.00 0.00 C ATOM 0 H LEU A 108 8.331 4.970 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 108 9.586 2.625 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.176 4.261 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 108 7.097 2.589 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 108 7.923 4.172 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 108 9.802 2.760 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.444 1.787 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.888 2.037 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.232 5.013 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.336 4.380 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.189 5.686 -2.894 1.00 0.00 H new ATOM 579 N LYS A 109 6.871 2.208 -6.145 1.00 0.00 N ATOM 580 CA LYS A 109 6.108 1.231 -6.915 1.00 0.00 C ATOM 581 C LYS A 109 6.962 0.636 -8.029 1.00 0.00 C ATOM 582 O LYS A 109 6.791 -0.524 -8.404 1.00 0.00 O ATOM 583 CB LYS A 109 4.854 1.883 -7.502 1.00 0.00 C ATOM 584 CG LYS A 109 3.563 1.398 -6.864 1.00 0.00 C ATOM 585 CD LYS A 109 3.447 1.858 -5.419 1.00 0.00 C ATOM 586 CE LYS A 109 2.998 0.727 -4.507 1.00 0.00 C ATOM 587 NZ LYS A 109 1.862 -0.039 -5.089 1.00 0.00 N ATOM 0 H LYS A 109 6.534 3.167 -6.230 1.00 0.00 H new ATOM 0 HA LYS A 109 5.807 0.426 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.926 2.964 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.818 1.684 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.712 1.770 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.523 0.310 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.410 2.240 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.737 2.682 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.835 0.053 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.703 1.136 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.252 -0.391 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.309 0.581 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.230 -0.843 -5.636 1.00 0.00 H new ATOM 601 N ASN A 110 7.886 1.437 -8.550 1.00 0.00 N ATOM 602 CA ASN A 110 8.770 0.990 -9.620 1.00 0.00 C ATOM 603 C ASN A 110 9.759 -0.051 -9.106 1.00 0.00 C ATOM 604 O ASN A 110 10.234 -0.897 -9.864 1.00 0.00 O ATOM 605 CB ASN A 110 9.526 2.181 -10.216 1.00 0.00 C ATOM 606 CG ASN A 110 8.926 2.648 -11.527 1.00 0.00 C ATOM 607 OD1 ASN A 110 9.643 2.908 -12.494 1.00 0.00 O ATOM 608 ND2 ASN A 110 7.602 2.758 -11.568 1.00 0.00 N ATOM 0 H ASN A 110 8.042 2.399 -8.248 1.00 0.00 H new ATOM 0 HA ASN A 110 8.159 0.532 -10.398 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.520 3.005 -9.503 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.568 1.904 -10.375 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.142 3.068 -12.424 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.046 2.532 -10.743 1.00 0.00 H new ATOM 615 N SER A 111 10.064 0.013 -7.813 1.00 0.00 N ATOM 616 CA SER A 111 10.995 -0.926 -7.200 1.00 0.00 C ATOM 617 C SER A 111 10.249 -2.080 -6.537 1.00 0.00 C ATOM 618 O SER A 111 10.663 -2.582 -5.491 1.00 0.00 O ATOM 619 CB SER A 111 11.871 -0.211 -6.170 1.00 0.00 C ATOM 620 OG SER A 111 12.590 0.855 -6.765 1.00 0.00 O ATOM 0 H SER A 111 9.679 0.706 -7.171 1.00 0.00 H new ATOM 0 HA SER A 111 11.630 -1.333 -7.987 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.248 0.173 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.568 -0.921 -5.726 1.00 0.00 H new ATOM 0 HG SER A 111 11.988 1.614 -6.911 1.00 0.00 H new ATOM 626 N VAL A 112 9.146 -2.497 -7.153 1.00 0.00 N ATOM 627 CA VAL A 112 8.344 -3.591 -6.624 1.00 0.00 C ATOM 628 C VAL A 112 9.067 -4.925 -6.780 1.00 0.00 C ATOM 629 O VAL A 112 9.506 -5.281 -7.874 1.00 0.00 O ATOM 630 CB VAL A 112 6.973 -3.670 -7.323 1.00 0.00 C ATOM 631 CG1 VAL A 112 7.141 -3.932 -8.812 1.00 0.00 C ATOM 632 CG2 VAL A 112 6.104 -4.743 -6.681 1.00 0.00 C ATOM 0 H VAL A 112 8.789 -2.093 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 112 8.188 -3.390 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 112 6.473 -2.709 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.160 -3.984 -9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.718 -3.124 -9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 112 7.665 -4.877 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.140 -4.783 -7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.599 -5.711 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.950 -4.505 -5.629 1.00 0.00 H new ATOM 642 N CYS A 113 9.187 -5.655 -5.679 1.00 0.00 N ATOM 643 CA CYS A 113 9.855 -6.951 -5.688 1.00 0.00 C ATOM 644 C CYS A 113 9.019 -7.992 -6.427 1.00 0.00 C ATOM 645 O CYS A 113 8.566 -8.974 -5.836 1.00 0.00 O ATOM 646 CB CYS A 113 10.131 -7.415 -4.256 1.00 0.00 C ATOM 647 SG CYS A 113 11.730 -8.263 -4.042 1.00 0.00 S ATOM 0 H CYS A 113 8.830 -5.372 -4.767 1.00 0.00 H new ATOM 0 HA CYS A 113 10.803 -6.840 -6.214 1.00 0.00 H new ATOM 0 HB2 CYS A 113 10.099 -6.550 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.331 -8.086 -3.943 1.00 0.00 H new ATOM 652 N ALA A 114 8.819 -7.773 -7.722 1.00 0.00 N ATOM 653 CA ALA A 114 8.040 -8.692 -8.542 1.00 0.00 C ATOM 654 C ALA A 114 8.661 -10.084 -8.546 1.00 0.00 C ATOM 655 O ALA A 114 9.638 -10.339 -7.843 1.00 0.00 O ATOM 656 CB ALA A 114 7.919 -8.160 -9.962 1.00 0.00 C ATOM 0 H ALA A 114 9.186 -6.966 -8.226 1.00 0.00 H new ATOM 0 HA ALA A 114 7.042 -8.770 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.335 -8.857 -10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 114 7.423 -7.190 -9.946 1.00 0.00 H new ATOM 0 HB3 ALA A 114 8.913 -8.052 -10.396 1.00 0.00 H new ATOM 662 N GLY A 115 8.090 -10.979 -9.345 1.00 0.00 N ATOM 663 CA GLY A 115 8.603 -12.334 -9.426 1.00 0.00 C ATOM 664 C GLY A 115 8.207 -13.177 -8.227 1.00 0.00 C ATOM 665 O GLY A 115 7.058 -13.124 -7.784 1.00 0.00 O ATOM 0 H GLY A 115 7.282 -10.790 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.233 -12.806 -10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.690 -12.304 -9.502 1.00 0.00 H new ATOM 669 N PRO A 116 9.140 -13.972 -7.671 1.00 0.00 N ATOM 670 CA PRO A 116 8.858 -14.824 -6.511 1.00 0.00 C ATOM 671 C PRO A 116 8.193 -14.055 -5.374 1.00 0.00 C ATOM 672 O PRO A 116 8.619 -12.955 -5.023 1.00 0.00 O ATOM 673 CB PRO A 116 10.244 -15.314 -6.087 1.00 0.00 C ATOM 674 CG PRO A 116 11.057 -15.270 -7.333 1.00 0.00 C ATOM 675 CD PRO A 116 10.536 -14.103 -8.128 1.00 0.00 C ATOM 0 HA PRO A 116 8.163 -15.627 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 116 10.670 -14.676 -5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 116 10.199 -16.324 -5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 116 12.115 -15.145 -7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 116 10.960 -16.199 -7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 116 11.109 -13.197 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 116 10.592 -14.291 -9.200 1.00 0.00 H new ATOM 683 N GLU A 117 7.146 -14.643 -4.803 1.00 0.00 N ATOM 684 CA GLU A 117 6.421 -14.014 -3.706 1.00 0.00 C ATOM 685 C GLU A 117 5.814 -12.686 -4.145 1.00 0.00 C ATOM 686 O GLU A 117 6.115 -12.181 -5.227 1.00 0.00 O ATOM 687 CB GLU A 117 7.353 -13.796 -2.510 1.00 0.00 C ATOM 688 CG GLU A 117 7.177 -14.825 -1.406 1.00 0.00 C ATOM 689 CD GLU A 117 7.352 -16.247 -1.903 1.00 0.00 C ATOM 690 OE1 GLU A 117 6.676 -16.621 -2.885 1.00 0.00 O ATOM 691 OE2 GLU A 117 8.163 -16.988 -1.311 1.00 0.00 O ATOM 0 H GLU A 117 6.781 -15.554 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 117 5.611 -14.680 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 117 8.386 -13.820 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.177 -12.802 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.899 -14.629 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.185 -14.716 -0.968 1.00 0.00 H new ATOM 698 N ASP A 118 4.959 -12.121 -3.298 1.00 0.00 N ATOM 699 CA ASP A 118 4.310 -10.850 -3.601 1.00 0.00 C ATOM 700 C ASP A 118 4.233 -9.969 -2.358 1.00 0.00 C ATOM 701 O ASP A 118 4.683 -10.359 -1.280 1.00 0.00 O ATOM 702 CB ASP A 118 2.905 -11.089 -4.157 1.00 0.00 C ATOM 703 CG ASP A 118 2.902 -12.060 -5.323 1.00 0.00 C ATOM 704 OD1 ASP A 118 3.105 -11.610 -6.471 1.00 0.00 O ATOM 705 OD2 ASP A 118 2.698 -13.269 -5.088 1.00 0.00 O ATOM 0 H ASP A 118 4.700 -12.523 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 118 4.908 -10.336 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 118 2.264 -11.475 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 118 2.478 -10.139 -4.478 1.00 0.00 H new ATOM 710 N ASN A 119 3.661 -8.780 -2.516 1.00 0.00 N ATOM 711 CA ASN A 119 3.526 -7.843 -1.408 1.00 0.00 C ATOM 712 C ASN A 119 4.890 -7.474 -0.833 1.00 0.00 C ATOM 713 O ASN A 119 5.018 -7.192 0.358 1.00 0.00 O ATOM 714 CB ASN A 119 2.644 -8.441 -0.311 1.00 0.00 C ATOM 715 CG ASN A 119 1.293 -8.891 -0.836 1.00 0.00 C ATOM 716 OD1 ASN A 119 0.921 -10.056 -0.706 1.00 0.00 O ATOM 717 ND2 ASN A 119 0.555 -7.965 -1.437 1.00 0.00 N ATOM 0 H ASN A 119 3.283 -8.443 -3.401 1.00 0.00 H new ATOM 0 HA ASN A 119 3.057 -6.936 -1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 119 3.156 -9.290 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 119 2.497 -7.702 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.361 -8.208 -1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 119 0.904 -7.010 -1.522 1.00 0.00 H new ATOM 724 N SER A 120 5.908 -7.481 -1.688 1.00 0.00 N ATOM 725 CA SER A 120 7.264 -7.148 -1.266 1.00 0.00 C ATOM 726 C SER A 120 7.780 -5.923 -2.015 1.00 0.00 C ATOM 727 O SER A 120 7.219 -5.525 -3.035 1.00 0.00 O ATOM 728 CB SER A 120 8.200 -8.335 -1.497 1.00 0.00 C ATOM 729 OG SER A 120 8.103 -9.276 -0.443 1.00 0.00 O ATOM 0 H SER A 120 5.820 -7.714 -2.677 1.00 0.00 H new ATOM 0 HA SER A 120 7.240 -6.917 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.953 -8.817 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.228 -7.981 -1.578 1.00 0.00 H new ATOM 0 HG SER A 120 8.710 -10.025 -0.617 1.00 0.00 H new ATOM 735 N VAL A 121 8.854 -5.332 -1.502 1.00 0.00 N ATOM 736 CA VAL A 121 9.448 -4.153 -2.123 1.00 0.00 C ATOM 737 C VAL A 121 10.962 -4.291 -2.219 1.00 0.00 C ATOM 738 O VAL A 121 11.567 -5.096 -1.510 1.00 0.00 O ATOM 739 CB VAL A 121 9.107 -2.873 -1.338 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.530 -1.637 -2.117 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.623 -2.824 -1.010 1.00 0.00 C ATOM 0 H VAL A 121 9.331 -5.650 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 121 9.028 -4.075 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 121 9.661 -2.889 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.280 -0.743 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.606 -1.667 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.008 -1.613 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.403 -1.912 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.046 -2.835 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.355 -3.690 -0.405 1.00 0.00 H new ATOM 751 N CYS A 122 11.572 -3.504 -3.099 1.00 0.00 N ATOM 752 CA CYS A 122 13.017 -3.541 -3.282 1.00 0.00 C ATOM 753 C CYS A 122 13.659 -2.249 -2.788 1.00 0.00 C ATOM 754 O CYS A 122 13.300 -1.157 -3.228 1.00 0.00 O ATOM 755 CB CYS A 122 13.363 -3.766 -4.756 1.00 0.00 C ATOM 756 SG CYS A 122 12.908 -5.415 -5.383 1.00 0.00 S ATOM 0 H CYS A 122 11.088 -2.833 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 122 13.411 -4.371 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.859 -3.009 -5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 122 14.434 -3.620 -4.893 1.00 0.00 H new ATOM 761 N CYS A 123 14.607 -2.385 -1.868 1.00 0.00 N ATOM 762 CA CYS A 123 15.301 -1.233 -1.308 1.00 0.00 C ATOM 763 C CYS A 123 16.785 -1.267 -1.662 1.00 0.00 C ATOM 764 O CYS A 123 17.498 -2.202 -1.294 1.00 0.00 O ATOM 765 CB CYS A 123 15.127 -1.202 0.212 1.00 0.00 C ATOM 766 SG CYS A 123 13.413 -1.470 0.771 1.00 0.00 S ATOM 0 H CYS A 123 14.913 -3.283 -1.494 1.00 0.00 H new ATOM 0 HA CYS A 123 14.866 -0.331 -1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 123 15.766 -1.966 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.474 -0.239 0.587 1.00 0.00 H new ATOM 771 N GLY A 124 17.242 -0.246 -2.379 1.00 0.00 N ATOM 772 CA GLY A 124 18.638 -0.182 -2.770 1.00 0.00 C ATOM 773 C GLY A 124 19.278 1.147 -2.421 1.00 0.00 C ATOM 774 O GLY A 124 20.255 1.532 -3.098 1.00 0.00 O ATOM 775 OXT GLY A 124 18.804 1.803 -1.470 1.00 0.00 O ATOM 0 H GLY A 124 16.671 0.538 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.187 -0.986 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.719 -0.350 -3.844 1.00 0.00 H new TER 779 GLY A 124