USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 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 52 CYS SG : rot -97:sc= 0.381 USER MOD Set 1.2: A 61 SER OG : rot -131:sc= 1.34 USER MOD Set 2.1: A 35 HIS : no HD1:sc= 0.869 K(o=1.9,f=-5.6!) USER MOD Set 2.2: B 199 CYS SG : rot -51:sc= 1.01 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= 1.22 (180deg=-0.691!) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1.07) USER MOD Single : A 29 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.59) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -84:sc= 1.28 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 166:sc= -0.139 (180deg=-0.63) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -120:sc= 0.00736 USER MOD Single : A 43 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.38) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 1.21 (180deg=1.06) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.13) USER MOD Single : A 50 SER OG : rot 87:sc= 1.29 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 59 MET CE :methyl -152:sc= 0 (180deg=-0.69) USER MOD Single : A 60 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.0066) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 74 ASN : amide:sc= 0.265 K(o=0.26,f=-5.2!) USER MOD Single : A 75 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-6.5!) USER MOD Single : A 76 THR OG1 : rot -60:sc= 1.06 USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 0.0131 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -178:sc= 1.19 USER MOD Single : A 92 GLN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.111 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.409 -6.082 -0.461 1.00 10.00 N ATOM 2 CA TYR A 21 12.005 -6.066 -0.837 1.00 10.00 C ATOM 3 C TYR A 21 11.117 -6.507 0.323 1.00 10.00 C ATOM 4 O TYR A 21 11.130 -7.672 0.724 1.00 10.00 O ATOM 5 CB TYR A 21 11.764 -6.964 -2.054 1.00 10.00 C ATOM 6 CG TYR A 21 12.031 -6.281 -3.377 1.00 10.00 C ATOM 7 CD1 TYR A 21 11.064 -5.483 -3.976 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.249 -6.435 -4.028 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.303 -4.859 -5.185 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.495 -5.813 -5.237 1.00 10.00 C ATOM 11 CZ TYR A 21 12.518 -5.026 -5.812 1.00 10.00 C ATOM 12 OH TYR A 21 12.759 -4.402 -7.017 1.00 10.00 O ATOM 0 HA TYR A 21 11.743 -5.040 -1.096 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.400 -7.845 -1.976 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.732 -7.314 -2.038 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.110 -5.348 -3.488 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.016 -7.051 -3.582 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.540 -4.243 -5.637 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.447 -5.942 -5.730 1.00 10.00 H new ATOM 0 HH TYR A 21 13.663 -4.622 -7.324 1.00 10.00 H new ATOM 22 N ILE A 22 10.353 -5.564 0.851 1.00 10.00 N ATOM 23 CA ILE A 22 9.444 -5.824 1.955 1.00 10.00 C ATOM 24 C ILE A 22 8.064 -6.167 1.414 1.00 10.00 C ATOM 25 O ILE A 22 7.486 -5.398 0.644 1.00 10.00 O ATOM 26 CB ILE A 22 9.340 -4.597 2.892 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.719 -4.235 3.460 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.350 -4.858 4.018 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.326 -5.309 4.336 1.00 10.00 C ATOM 0 H ILE A 22 10.346 -4.597 0.526 1.00 10.00 H new ATOM 0 HA ILE A 22 9.837 -6.664 2.528 1.00 10.00 H new ATOM 0 HB ILE A 22 8.975 -3.753 2.307 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.398 -4.029 2.633 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.632 -3.315 4.038 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.294 -3.982 4.664 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.366 -5.062 3.597 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.681 -5.718 4.601 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.299 -4.977 4.698 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.669 -5.500 5.185 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.447 -6.225 3.757 1.00 10.00 H new ATOM 41 N LYS A 23 7.550 -7.325 1.796 1.00 10.00 N ATOM 42 CA LYS A 23 6.245 -7.767 1.337 1.00 10.00 C ATOM 43 C LYS A 23 5.170 -7.502 2.388 1.00 10.00 C ATOM 44 O LYS A 23 5.185 -8.080 3.479 1.00 10.00 O ATOM 45 CB LYS A 23 6.287 -9.255 0.987 1.00 10.00 C ATOM 46 CG LYS A 23 4.949 -9.819 0.539 1.00 10.00 C ATOM 47 CD LYS A 23 4.900 -11.333 0.689 1.00 10.00 C ATOM 48 CE LYS A 23 4.722 -11.755 2.144 1.00 10.00 C ATOM 49 NZ LYS A 23 6.017 -11.866 2.874 1.00 10.00 N ATOM 0 H LYS A 23 8.019 -7.977 2.425 1.00 10.00 H new ATOM 0 HA LYS A 23 5.990 -7.197 0.444 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.020 -9.412 0.195 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.633 -9.813 1.857 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.149 -9.369 1.126 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.770 -9.550 -0.502 1.00 10.00 H new ATOM 0 HD2 LYS A 23 4.079 -11.730 0.093 1.00 10.00 H new ATOM 0 HD3 LYS A 23 5.819 -11.767 0.295 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.084 -11.032 2.652 1.00 10.00 H new ATOM 0 HE3 LYS A 23 4.207 -12.715 2.179 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.947 -12.614 3.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 6.775 -12.101 2.202 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 6.233 -10.960 3.337 1.00 10.00 H new ATOM 63 N LEU A 24 4.241 -6.624 2.050 1.00 10.00 N ATOM 64 CA LEU A 24 3.146 -6.277 2.937 1.00 10.00 C ATOM 65 C LEU A 24 1.864 -6.951 2.463 1.00 10.00 C ATOM 66 O LEU A 24 1.633 -7.088 1.261 1.00 10.00 O ATOM 67 CB LEU A 24 2.954 -4.758 2.971 1.00 10.00 C ATOM 68 CG LEU A 24 4.197 -3.952 3.356 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.994 -2.478 3.038 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.516 -4.138 4.831 1.00 10.00 C ATOM 0 H LEU A 24 4.225 -6.134 1.156 1.00 10.00 H new ATOM 0 HA LEU A 24 3.383 -6.624 3.943 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.617 -4.428 1.988 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.156 -4.524 3.676 1.00 10.00 H new ATOM 0 HG LEU A 24 5.041 -4.319 2.772 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.887 -1.919 3.318 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.811 -2.358 1.970 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.139 -2.099 3.598 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.403 -3.558 5.087 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.673 -3.797 5.431 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.702 -5.193 5.033 1.00 10.00 H new ATOM 82 N LYS A 25 1.039 -7.378 3.402 1.00 10.00 N ATOM 83 CA LYS A 25 -0.211 -8.036 3.068 1.00 10.00 C ATOM 84 C LYS A 25 -1.373 -7.054 3.101 1.00 10.00 C ATOM 85 O LYS A 25 -1.790 -6.601 4.170 1.00 10.00 O ATOM 86 CB LYS A 25 -0.494 -9.187 4.034 1.00 10.00 C ATOM 87 CG LYS A 25 0.422 -10.384 3.855 1.00 10.00 C ATOM 88 CD LYS A 25 -0.091 -11.592 4.623 1.00 10.00 C ATOM 89 CE LYS A 25 -1.335 -12.181 3.975 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.731 -13.470 4.600 1.00 10.00 N ATOM 0 H LYS A 25 1.212 -7.281 4.402 1.00 10.00 H new ATOM 0 HA LYS A 25 -0.111 -8.432 2.057 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.400 -8.821 5.056 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.527 -9.510 3.905 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.500 -10.630 2.796 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.425 -10.131 4.198 1.00 10.00 H new ATOM 0 HD2 LYS A 25 0.689 -12.352 4.671 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.317 -11.302 5.649 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -2.158 -11.470 4.057 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -1.152 -12.335 2.912 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -2.229 -14.056 3.900 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.882 -13.971 4.930 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -2.359 -13.286 5.408 1.00 10.00 H new ATOM 104 N VAL A 26 -1.884 -6.717 1.929 1.00 10.00 N ATOM 105 CA VAL A 26 -3.012 -5.809 1.827 1.00 10.00 C ATOM 106 C VAL A 26 -4.301 -6.616 1.847 1.00 10.00 C ATOM 107 O VAL A 26 -4.611 -7.333 0.892 1.00 10.00 O ATOM 108 CB VAL A 26 -2.955 -4.955 0.545 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.975 -3.831 0.599 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.556 -4.402 0.332 1.00 10.00 C ATOM 0 H VAL A 26 -1.535 -7.059 1.034 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.974 -5.126 2.676 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.202 -5.595 -0.302 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.916 -3.242 -0.316 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.976 -4.252 0.696 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.766 -3.191 1.456 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.537 -3.802 -0.578 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.277 -3.780 1.183 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.849 -5.226 0.238 1.00 10.00 H new ATOM 120 N ILE A 27 -5.030 -6.513 2.943 1.00 10.00 N ATOM 121 CA ILE A 27 -6.270 -7.247 3.105 1.00 10.00 C ATOM 122 C ILE A 27 -7.460 -6.410 2.661 1.00 10.00 C ATOM 123 O ILE A 27 -7.679 -5.309 3.170 1.00 10.00 O ATOM 124 CB ILE A 27 -6.472 -7.681 4.574 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.221 -8.390 5.108 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.692 -8.582 4.702 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.850 -9.649 4.349 1.00 10.00 C ATOM 0 H ILE A 27 -4.782 -5.924 3.738 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.204 -8.136 2.478 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.639 -6.786 5.174 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.381 -7.697 5.072 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.380 -8.644 6.156 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.818 -8.878 5.744 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.579 -8.044 4.368 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.554 -9.471 4.087 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.955 -10.089 4.789 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.671 -10.363 4.406 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.656 -9.401 3.305 1.00 10.00 H new ATOM 139 N GLY A 28 -8.212 -6.927 1.701 1.00 10.00 N ATOM 140 CA GLY A 28 -9.380 -6.220 1.214 1.00 10.00 C ATOM 141 C GLY A 28 -10.637 -6.637 1.950 1.00 10.00 C ATOM 142 O GLY A 28 -10.635 -7.638 2.670 1.00 10.00 O ATOM 0 H GLY A 28 -8.035 -7.824 1.250 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.230 -5.147 1.330 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.503 -6.411 0.148 1.00 10.00 H new ATOM 146 N GLN A 29 -11.720 -5.891 1.757 1.00 10.00 N ATOM 147 CA GLN A 29 -12.992 -6.192 2.416 1.00 10.00 C ATOM 148 C GLN A 29 -13.633 -7.432 1.793 1.00 10.00 C ATOM 149 O GLN A 29 -14.600 -7.985 2.317 1.00 10.00 O ATOM 150 CB GLN A 29 -13.937 -4.990 2.314 1.00 10.00 C ATOM 151 CG GLN A 29 -15.161 -5.082 3.217 1.00 10.00 C ATOM 152 CD GLN A 29 -14.808 -5.366 4.664 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.535 -4.452 5.440 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.827 -6.634 5.040 1.00 10.00 N ATOM 0 H GLN A 29 -11.745 -5.072 1.149 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.802 -6.396 3.470 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.383 -4.084 2.562 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.268 -4.889 1.280 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.718 -4.147 3.161 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.820 -5.868 2.848 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -15.059 -7.363 4.365 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.610 -6.883 6.005 1.00 10.00 H new ATOM 163 N ASP A 30 -13.073 -7.861 0.675 1.00 10.00 N ATOM 164 CA ASP A 30 -13.552 -9.036 -0.039 1.00 10.00 C ATOM 165 C ASP A 30 -12.711 -10.254 0.326 1.00 10.00 C ATOM 166 O ASP A 30 -12.743 -11.271 -0.367 1.00 10.00 O ATOM 167 CB ASP A 30 -13.491 -8.794 -1.549 1.00 10.00 C ATOM 168 CG ASP A 30 -12.073 -8.583 -2.047 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.338 -7.771 -1.443 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.686 -9.218 -3.048 1.00 10.00 O ATOM 0 H ASP A 30 -12.273 -7.406 0.235 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.586 -9.223 0.250 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -13.932 -9.645 -2.068 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.094 -7.921 -1.798 1.00 10.00 H new ATOM 175 N SER A 31 -11.962 -10.128 1.422 1.00 10.00 N ATOM 176 CA SER A 31 -11.097 -11.197 1.916 1.00 10.00 C ATOM 177 C SER A 31 -10.001 -11.533 0.902 1.00 10.00 C ATOM 178 O SER A 31 -9.757 -12.700 0.590 1.00 10.00 O ATOM 179 CB SER A 31 -11.921 -12.443 2.262 1.00 10.00 C ATOM 180 OG SER A 31 -12.985 -12.122 3.148 1.00 10.00 O ATOM 0 H SER A 31 -11.939 -9.282 1.991 1.00 10.00 H new ATOM 0 HA SER A 31 -10.612 -10.844 2.826 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.324 -12.882 1.349 1.00 10.00 H new ATOM 0 HB3 SER A 31 -11.277 -13.194 2.719 1.00 10.00 H new ATOM 0 HG SER A 31 -13.497 -12.933 3.352 1.00 10.00 H new ATOM 186 N SER A 32 -9.346 -10.500 0.393 1.00 10.00 N ATOM 187 CA SER A 32 -8.277 -10.674 -0.579 1.00 10.00 C ATOM 188 C SER A 32 -6.920 -10.416 0.070 1.00 10.00 C ATOM 189 O SER A 32 -6.746 -9.433 0.794 1.00 10.00 O ATOM 190 CB SER A 32 -8.484 -9.718 -1.754 1.00 10.00 C ATOM 191 OG SER A 32 -8.820 -8.418 -1.297 1.00 10.00 O ATOM 0 H SER A 32 -9.537 -9.529 0.638 1.00 10.00 H new ATOM 0 HA SER A 32 -8.299 -11.701 -0.944 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.576 -9.673 -2.355 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.276 -10.096 -2.400 1.00 10.00 H new ATOM 0 HG SER A 32 -9.783 -8.371 -1.123 1.00 10.00 H new ATOM 197 N GLU A 33 -5.972 -11.307 -0.181 1.00 10.00 N ATOM 198 CA GLU A 33 -4.632 -11.176 0.359 1.00 10.00 C ATOM 199 C GLU A 33 -3.669 -10.752 -0.739 1.00 10.00 C ATOM 200 O GLU A 33 -3.116 -11.587 -1.458 1.00 10.00 O ATOM 201 CB GLU A 33 -4.177 -12.490 0.986 1.00 10.00 C ATOM 202 CG GLU A 33 -5.002 -12.907 2.191 1.00 10.00 C ATOM 203 CD GLU A 33 -4.730 -14.333 2.616 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.642 -14.596 3.168 1.00 10.00 O ATOM 205 OE2 GLU A 33 -5.602 -15.200 2.397 1.00 10.00 O ATOM 0 H GLU A 33 -6.111 -12.135 -0.761 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.641 -10.411 1.136 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.224 -13.277 0.234 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.133 -12.398 1.285 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.788 -12.236 3.023 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -6.061 -12.797 1.958 1.00 10.00 H new ATOM 212 N ILE A 34 -3.494 -9.450 -0.887 1.00 10.00 N ATOM 213 CA ILE A 34 -2.605 -8.919 -1.909 1.00 10.00 C ATOM 214 C ILE A 34 -1.181 -8.793 -1.379 1.00 10.00 C ATOM 215 O ILE A 34 -0.938 -8.134 -0.367 1.00 10.00 O ATOM 216 CB ILE A 34 -3.080 -7.537 -2.416 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.571 -7.572 -2.782 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.245 -7.091 -3.609 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.893 -8.453 -3.972 1.00 10.00 C ATOM 0 H ILE A 34 -3.954 -8.742 -0.315 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.623 -9.623 -2.741 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.946 -6.814 -1.611 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.138 -7.922 -1.920 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -4.907 -6.557 -2.993 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.593 -6.117 -3.953 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.198 -7.019 -3.314 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.346 -7.817 -4.415 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.965 -8.424 -4.166 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.355 -8.091 -4.848 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.590 -9.478 -3.758 1.00 10.00 H new ATOM 231 N HIS A 35 -0.250 -9.443 -2.063 1.00 10.00 N ATOM 232 CA HIS A 35 1.154 -9.401 -1.692 1.00 10.00 C ATOM 233 C HIS A 35 1.802 -8.175 -2.322 1.00 10.00 C ATOM 234 O HIS A 35 2.264 -8.216 -3.465 1.00 10.00 O ATOM 235 CB HIS A 35 1.882 -10.673 -2.147 1.00 10.00 C ATOM 236 CG HIS A 35 1.279 -11.947 -1.626 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.061 -13.027 -2.454 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.874 -12.265 -0.371 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.534 -13.970 -1.689 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.401 -13.552 -0.424 1.00 10.00 N ATOM 0 H HIS A 35 -0.447 -10.011 -2.887 1.00 10.00 H new ATOM 0 HA HIS A 35 1.229 -9.342 -0.606 1.00 10.00 H new ATOM 0 HB2 HIS A 35 1.887 -10.705 -3.237 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.922 -10.618 -1.825 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.916 -11.629 0.501 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.248 -14.950 -2.040 1.00 10.00 H new ATOM 0 HE2 HIS A 35 0.020 -14.090 0.354 1.00 10.00 H new ATOM 248 N PHE A 36 1.798 -7.084 -1.582 1.00 10.00 N ATOM 249 CA PHE A 36 2.369 -5.836 -2.049 1.00 10.00 C ATOM 250 C PHE A 36 3.799 -5.704 -1.541 1.00 10.00 C ATOM 251 O PHE A 36 4.025 -5.459 -0.357 1.00 10.00 O ATOM 252 CB PHE A 36 1.508 -4.668 -1.561 1.00 10.00 C ATOM 253 CG PHE A 36 1.267 -3.609 -2.586 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.322 -3.024 -3.247 1.00 10.00 C ATOM 255 CD2 PHE A 36 -0.020 -3.195 -2.883 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.102 -2.046 -4.186 1.00 10.00 C ATOM 257 CE2 PHE A 36 -0.245 -2.214 -3.826 1.00 10.00 C ATOM 258 CZ PHE A 36 0.819 -1.637 -4.479 1.00 10.00 C ATOM 0 H PHE A 36 1.401 -7.037 -0.644 1.00 10.00 H new ATOM 0 HA PHE A 36 2.389 -5.823 -3.139 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.547 -5.057 -1.225 1.00 10.00 H new ATOM 0 HB3 PHE A 36 1.989 -4.215 -0.694 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.332 -3.336 -3.026 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.857 -3.645 -2.371 1.00 10.00 H new ATOM 0 HE1 PHE A 36 2.939 -1.595 -4.698 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -1.254 -1.900 -4.051 1.00 10.00 H new ATOM 0 HZ PHE A 36 0.650 -0.867 -5.218 1.00 10.00 H new ATOM 268 N LYS A 37 4.761 -5.873 -2.433 1.00 10.00 N ATOM 269 CA LYS A 37 6.166 -5.798 -2.051 1.00 10.00 C ATOM 270 C LYS A 37 6.867 -4.615 -2.708 1.00 10.00 C ATOM 271 O LYS A 37 6.642 -4.313 -3.882 1.00 10.00 O ATOM 272 CB LYS A 37 6.886 -7.104 -2.405 1.00 10.00 C ATOM 273 CG LYS A 37 6.748 -7.501 -3.864 1.00 10.00 C ATOM 274 CD LYS A 37 7.306 -8.888 -4.123 1.00 10.00 C ATOM 275 CE LYS A 37 8.807 -8.951 -3.877 1.00 10.00 C ATOM 276 NZ LYS A 37 9.373 -10.271 -4.252 1.00 10.00 N ATOM 0 H LYS A 37 4.599 -6.062 -3.422 1.00 10.00 H new ATOM 0 HA LYS A 37 6.206 -5.649 -0.972 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.944 -7.002 -2.164 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.493 -7.906 -1.781 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.697 -7.472 -4.151 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.269 -6.776 -4.489 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.802 -9.608 -3.479 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.094 -9.178 -5.152 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.302 -8.167 -4.450 1.00 10.00 H new ATOM 0 HE3 LYS A 37 9.011 -8.754 -2.825 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.397 -10.274 -4.070 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 8.919 -11.017 -3.687 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 9.201 -10.448 -5.262 1.00 10.00 H new ATOM 290 N VAL A 38 7.717 -3.949 -1.935 1.00 10.00 N ATOM 291 CA VAL A 38 8.467 -2.797 -2.421 1.00 10.00 C ATOM 292 C VAL A 38 9.847 -2.731 -1.780 1.00 10.00 C ATOM 293 O VAL A 38 10.174 -3.527 -0.902 1.00 10.00 O ATOM 294 CB VAL A 38 7.736 -1.470 -2.143 1.00 10.00 C ATOM 295 CG1 VAL A 38 6.794 -1.143 -3.284 1.00 10.00 C ATOM 296 CG2 VAL A 38 6.983 -1.525 -0.818 1.00 10.00 C ATOM 0 H VAL A 38 7.905 -4.190 -0.962 1.00 10.00 H new ATOM 0 HA VAL A 38 8.563 -2.929 -3.499 1.00 10.00 H new ATOM 0 HB VAL A 38 8.481 -0.678 -2.068 1.00 10.00 H new ATOM 0 HG11 VAL A 38 6.283 -0.203 -3.076 1.00 10.00 H new ATOM 0 HG12 VAL A 38 7.362 -1.050 -4.210 1.00 10.00 H new ATOM 0 HG13 VAL A 38 6.058 -1.940 -3.388 1.00 10.00 H new ATOM 0 HG21 VAL A 38 6.477 -0.575 -0.648 1.00 10.00 H new ATOM 0 HG22 VAL A 38 6.247 -2.328 -0.851 1.00 10.00 H new ATOM 0 HG23 VAL A 38 7.687 -1.711 -0.007 1.00 10.00 H new ATOM 306 N LYS A 39 10.644 -1.774 -2.220 1.00 10.00 N ATOM 307 CA LYS A 39 11.989 -1.590 -1.697 1.00 10.00 C ATOM 308 C LYS A 39 12.008 -0.502 -0.629 1.00 10.00 C ATOM 309 O LYS A 39 10.959 -0.062 -0.156 1.00 10.00 O ATOM 310 CB LYS A 39 12.945 -1.219 -2.831 1.00 10.00 C ATOM 311 CG LYS A 39 13.548 -2.418 -3.540 1.00 10.00 C ATOM 312 CD LYS A 39 14.091 -2.044 -4.911 1.00 10.00 C ATOM 313 CE LYS A 39 15.156 -0.964 -4.831 1.00 10.00 C ATOM 314 NZ LYS A 39 15.628 -0.560 -6.179 1.00 10.00 N ATOM 0 H LYS A 39 10.381 -1.106 -2.945 1.00 10.00 H new ATOM 0 HA LYS A 39 12.313 -2.527 -1.244 1.00 10.00 H new ATOM 0 HB2 LYS A 39 12.411 -0.609 -3.559 1.00 10.00 H new ATOM 0 HB3 LYS A 39 13.750 -0.604 -2.429 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.351 -2.835 -2.932 1.00 10.00 H new ATOM 0 HG3 LYS A 39 12.792 -3.196 -3.647 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.510 -2.930 -5.388 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.272 -1.699 -5.542 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.755 -0.095 -4.310 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.999 -1.327 -4.243 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.354 0.179 -6.086 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 16.033 -1.384 -6.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.828 -0.191 -6.731 1.00 10.00 H new ATOM 328 N MET A 40 13.204 -0.075 -0.250 1.00 10.00 N ATOM 329 CA MET A 40 13.358 0.963 0.758 1.00 10.00 C ATOM 330 C MET A 40 13.354 2.341 0.110 1.00 10.00 C ATOM 331 O MET A 40 12.903 3.320 0.706 1.00 10.00 O ATOM 332 CB MET A 40 14.657 0.760 1.534 1.00 10.00 C ATOM 333 CG MET A 40 14.585 1.255 2.967 1.00 10.00 C ATOM 334 SD MET A 40 13.199 0.540 3.872 1.00 10.00 S ATOM 335 CE MET A 40 13.464 -1.208 3.576 1.00 10.00 C ATOM 0 H MET A 40 14.082 -0.432 -0.626 1.00 10.00 H new ATOM 0 HA MET A 40 12.517 0.897 1.449 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.909 -0.300 1.536 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.465 1.279 1.018 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.515 1.011 3.480 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.495 2.341 2.969 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.849 -1.791 4.262 1.00 10.00 H new ATOM 0 HE2 MET A 40 13.189 -1.449 2.549 1.00 10.00 H new ATOM 0 HE3 MET A 40 14.515 -1.449 3.737 1.00 10.00 H new ATOM 345 N THR A 41 13.862 2.400 -1.114 1.00 10.00 N ATOM 346 CA THR A 41 13.930 3.646 -1.866 1.00 10.00 C ATOM 347 C THR A 41 12.553 4.049 -2.381 1.00 10.00 C ATOM 348 O THR A 41 12.315 5.216 -2.698 1.00 10.00 O ATOM 349 CB THR A 41 14.896 3.513 -3.075 1.00 10.00 C ATOM 350 OG1 THR A 41 15.320 4.808 -3.528 1.00 10.00 O ATOM 351 CG2 THR A 41 14.234 2.766 -4.230 1.00 10.00 C ATOM 0 H THR A 41 14.236 1.592 -1.611 1.00 10.00 H new ATOM 0 HA THR A 41 14.302 4.413 -1.186 1.00 10.00 H new ATOM 0 HB THR A 41 15.764 2.945 -2.740 1.00 10.00 H new ATOM 0 HG1 THR A 41 15.929 4.705 -4.289 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.934 2.688 -5.062 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.949 1.767 -3.901 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.346 3.309 -4.553 1.00 10.00 H new ATOM 359 N THR A 42 11.653 3.079 -2.435 1.00 10.00 N ATOM 360 CA THR A 42 10.323 3.297 -2.959 1.00 10.00 C ATOM 361 C THR A 42 9.461 4.170 -2.058 1.00 10.00 C ATOM 362 O THR A 42 9.170 3.825 -0.910 1.00 10.00 O ATOM 363 CB THR A 42 9.634 1.950 -3.220 1.00 10.00 C ATOM 364 OG1 THR A 42 10.628 0.917 -3.330 1.00 10.00 O ATOM 365 CG2 THR A 42 8.853 2.024 -4.503 1.00 10.00 C ATOM 0 H THR A 42 11.827 2.125 -2.118 1.00 10.00 H new ATOM 0 HA THR A 42 10.437 3.841 -3.897 1.00 10.00 H new ATOM 0 HB THR A 42 8.959 1.724 -2.394 1.00 10.00 H new ATOM 0 HG1 THR A 42 10.567 0.497 -4.213 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.364 1.067 -4.687 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.099 2.807 -4.425 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.529 2.251 -5.328 1.00 10.00 H new ATOM 373 N HIS A 43 9.060 5.307 -2.603 1.00 10.00 N ATOM 374 CA HIS A 43 8.219 6.253 -1.894 1.00 10.00 C ATOM 375 C HIS A 43 6.784 5.761 -1.905 1.00 10.00 C ATOM 376 O HIS A 43 6.282 5.326 -2.942 1.00 10.00 O ATOM 377 CB HIS A 43 8.316 7.632 -2.550 1.00 10.00 C ATOM 378 CG HIS A 43 9.703 8.196 -2.533 1.00 10.00 C ATOM 379 ND1 HIS A 43 10.654 7.724 -1.660 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.245 9.191 -3.277 1.00 10.00 C ATOM 381 CE1 HIS A 43 11.736 8.435 -1.891 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.529 9.338 -2.845 1.00 10.00 N ATOM 0 H HIS A 43 9.309 5.598 -3.548 1.00 10.00 H new ATOM 0 HA HIS A 43 8.557 6.337 -0.861 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.972 7.562 -3.582 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.644 8.320 -2.036 1.00 10.00 H new ATOM 0 HD2 HIS A 43 9.756 9.755 -4.057 1.00 10.00 H new ATOM 0 HE1 HIS A 43 12.674 8.302 -1.372 1.00 10.00 H new ATOM 0 HE2 HIS A 43 12.208 10.017 -3.190 1.00 10.00 H new ATOM 390 N LEU A 44 6.114 5.853 -0.762 1.00 10.00 N ATOM 391 CA LEU A 44 4.736 5.390 -0.637 1.00 10.00 C ATOM 392 C LEU A 44 3.769 6.257 -1.443 1.00 10.00 C ATOM 393 O LEU A 44 2.575 5.962 -1.514 1.00 10.00 O ATOM 394 CB LEU A 44 4.327 5.344 0.835 1.00 10.00 C ATOM 395 CG LEU A 44 5.062 4.300 1.682 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.589 4.346 3.126 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.867 2.908 1.105 1.00 10.00 C ATOM 0 H LEU A 44 6.504 6.246 0.095 1.00 10.00 H new ATOM 0 HA LEU A 44 4.684 4.383 -1.050 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.494 6.328 1.273 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.256 5.147 0.893 1.00 10.00 H new ATOM 0 HG LEU A 44 6.126 4.537 1.662 1.00 10.00 H new ATOM 0 HD11 LEU A 44 5.125 3.596 3.708 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.783 5.335 3.541 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.519 4.140 3.165 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.397 2.181 1.721 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.804 2.666 1.091 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.260 2.877 0.089 1.00 10.00 H new ATOM 409 N LYS A 45 4.291 7.316 -2.052 1.00 10.00 N ATOM 410 CA LYS A 45 3.487 8.209 -2.874 1.00 10.00 C ATOM 411 C LYS A 45 3.008 7.471 -4.123 1.00 10.00 C ATOM 412 O LYS A 45 1.822 7.493 -4.457 1.00 10.00 O ATOM 413 CB LYS A 45 4.311 9.445 -3.259 1.00 10.00 C ATOM 414 CG LYS A 45 3.761 10.215 -4.453 1.00 10.00 C ATOM 415 CD LYS A 45 2.729 11.251 -4.043 1.00 10.00 C ATOM 416 CE LYS A 45 2.107 11.913 -5.261 1.00 10.00 C ATOM 417 NZ LYS A 45 1.231 13.057 -4.895 1.00 10.00 N ATOM 0 H LYS A 45 5.275 7.577 -1.990 1.00 10.00 H new ATOM 0 HA LYS A 45 2.615 8.536 -2.308 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.362 10.115 -2.401 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.331 9.133 -3.481 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.582 10.709 -4.974 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.311 9.516 -5.158 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.951 10.777 -3.445 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.198 12.007 -3.414 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.897 12.262 -5.926 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.526 11.176 -5.815 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 0.434 13.111 -5.561 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.867 12.921 -3.930 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 1.778 13.941 -4.937 1.00 10.00 H new ATOM 431 N LYS A 46 3.936 6.788 -4.788 1.00 10.00 N ATOM 432 CA LYS A 46 3.617 6.039 -5.997 1.00 10.00 C ATOM 433 C LYS A 46 2.909 4.732 -5.645 1.00 10.00 C ATOM 434 O LYS A 46 2.275 4.103 -6.490 1.00 10.00 O ATOM 435 CB LYS A 46 4.888 5.756 -6.803 1.00 10.00 C ATOM 436 CG LYS A 46 4.624 5.171 -8.186 1.00 10.00 C ATOM 437 CD LYS A 46 5.861 5.225 -9.067 1.00 10.00 C ATOM 438 CE LYS A 46 6.105 6.626 -9.599 1.00 10.00 C ATOM 439 NZ LYS A 46 7.478 6.773 -10.139 1.00 10.00 N ATOM 0 H LYS A 46 4.916 6.739 -4.508 1.00 10.00 H new ATOM 0 HA LYS A 46 2.946 6.642 -6.609 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.451 6.683 -6.913 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.517 5.066 -6.241 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.294 4.137 -8.086 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.813 5.720 -8.664 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.729 4.895 -8.497 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.745 4.533 -9.901 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.380 6.850 -10.381 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.948 7.351 -8.801 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 7.610 7.742 -10.494 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.169 6.583 -9.386 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.619 6.097 -10.917 1.00 10.00 H new ATOM 453 N LEU A 47 3.005 4.337 -4.385 1.00 10.00 N ATOM 454 CA LEU A 47 2.367 3.111 -3.920 1.00 10.00 C ATOM 455 C LEU A 47 0.853 3.242 -3.995 1.00 10.00 C ATOM 456 O LEU A 47 0.150 2.302 -4.369 1.00 10.00 O ATOM 457 CB LEU A 47 2.791 2.795 -2.483 1.00 10.00 C ATOM 458 CG LEU A 47 3.982 1.851 -2.346 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.628 0.475 -2.863 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.200 2.413 -3.064 1.00 10.00 C ATOM 0 H LEU A 47 3.518 4.846 -3.665 1.00 10.00 H new ATOM 0 HA LEU A 47 2.685 2.294 -4.567 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.031 3.731 -1.978 1.00 10.00 H new ATOM 0 HB3 LEU A 47 1.941 2.359 -1.959 1.00 10.00 H new ATOM 0 HG LEU A 47 4.232 1.760 -1.289 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.489 -0.186 -2.758 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.791 0.075 -2.290 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.348 0.542 -3.914 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.037 1.724 -2.954 1.00 10.00 H new ATOM 0 HD22 LEU A 47 4.972 2.540 -4.122 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.464 3.378 -2.631 1.00 10.00 H new ATOM 472 N LYS A 48 0.368 4.428 -3.663 1.00 10.00 N ATOM 473 CA LYS A 48 -1.058 4.711 -3.676 1.00 10.00 C ATOM 474 C LYS A 48 -1.627 4.572 -5.085 1.00 10.00 C ATOM 475 O LYS A 48 -2.667 3.943 -5.284 1.00 10.00 O ATOM 476 CB LYS A 48 -1.312 6.116 -3.128 1.00 10.00 C ATOM 477 CG LYS A 48 -0.643 6.361 -1.783 1.00 10.00 C ATOM 478 CD LYS A 48 -0.883 7.773 -1.274 1.00 10.00 C ATOM 479 CE LYS A 48 -2.297 7.945 -0.751 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.473 9.241 -0.049 1.00 10.00 N ATOM 0 H LYS A 48 0.948 5.217 -3.379 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.564 3.986 -3.039 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.950 6.851 -3.847 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.386 6.272 -3.027 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.022 5.644 -1.054 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.429 6.186 -1.875 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.171 8.000 -0.481 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.703 8.486 -2.078 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -3.001 7.883 -1.581 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.534 7.128 -0.070 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.471 9.358 0.219 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -1.881 9.256 0.806 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.190 10.018 -0.679 1.00 10.00 H new ATOM 494 N GLU A 49 -0.931 5.141 -6.064 1.00 10.00 N ATOM 495 CA GLU A 49 -1.376 5.073 -7.451 1.00 10.00 C ATOM 496 C GLU A 49 -1.199 3.662 -8.013 1.00 10.00 C ATOM 497 O GLU A 49 -2.001 3.213 -8.830 1.00 10.00 O ATOM 498 CB GLU A 49 -0.636 6.102 -8.321 1.00 10.00 C ATOM 499 CG GLU A 49 0.771 6.427 -7.845 1.00 10.00 C ATOM 500 CD GLU A 49 1.498 7.393 -8.761 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.702 7.055 -9.946 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.875 8.491 -8.303 1.00 10.00 O ATOM 0 H GLU A 49 -0.060 5.652 -5.923 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.438 5.316 -7.472 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.584 5.726 -9.343 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.219 7.023 -8.350 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.720 6.853 -6.843 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.346 5.504 -7.770 1.00 10.00 H new ATOM 509 N SER A 50 -0.168 2.956 -7.555 1.00 10.00 N ATOM 510 CA SER A 50 0.093 1.593 -8.016 1.00 10.00 C ATOM 511 C SER A 50 -1.057 0.657 -7.638 1.00 10.00 C ATOM 512 O SER A 50 -1.483 -0.176 -8.443 1.00 10.00 O ATOM 513 CB SER A 50 1.407 1.070 -7.430 1.00 10.00 C ATOM 514 OG SER A 50 2.510 1.847 -7.872 1.00 10.00 O ATOM 0 H SER A 50 0.500 3.303 -6.866 1.00 10.00 H new ATOM 0 HA SER A 50 0.175 1.617 -9.103 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.357 1.091 -6.341 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.551 0.030 -7.723 1.00 10.00 H new ATOM 0 HG SER A 50 2.630 2.614 -7.274 1.00 10.00 H new ATOM 520 N TYR A 51 -1.562 0.805 -6.415 1.00 10.00 N ATOM 521 CA TYR A 51 -2.668 -0.021 -5.940 1.00 10.00 C ATOM 522 C TYR A 51 -3.929 0.284 -6.739 1.00 10.00 C ATOM 523 O TYR A 51 -4.612 -0.622 -7.218 1.00 10.00 O ATOM 524 CB TYR A 51 -2.929 0.223 -4.448 1.00 10.00 C ATOM 525 CG TYR A 51 -4.117 -0.545 -3.903 1.00 10.00 C ATOM 526 CD1 TYR A 51 -4.039 -1.911 -3.661 1.00 10.00 C ATOM 527 CD2 TYR A 51 -5.318 0.100 -3.630 1.00 10.00 C ATOM 528 CE1 TYR A 51 -5.124 -2.612 -3.172 1.00 10.00 C ATOM 529 CE2 TYR A 51 -6.406 -0.597 -3.139 1.00 10.00 C ATOM 530 CZ TYR A 51 -6.303 -1.951 -2.911 1.00 10.00 C ATOM 531 OH TYR A 51 -7.386 -2.648 -2.428 1.00 10.00 O ATOM 0 H TYR A 51 -1.223 1.488 -5.737 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.396 -1.067 -6.079 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -2.039 -0.053 -3.883 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.091 1.289 -4.286 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -3.115 -2.433 -3.859 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.402 1.163 -3.804 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -5.048 -3.675 -2.995 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -7.333 -0.082 -2.935 1.00 10.00 H new ATOM 0 HH TYR A 51 -8.138 -2.034 -2.296 1.00 10.00 H new ATOM 541 N CYS A 52 -4.219 1.569 -6.893 1.00 10.00 N ATOM 542 CA CYS A 52 -5.393 2.010 -7.633 1.00 10.00 C ATOM 543 C CYS A 52 -5.346 1.519 -9.080 1.00 10.00 C ATOM 544 O CYS A 52 -6.372 1.151 -9.653 1.00 10.00 O ATOM 545 CB CYS A 52 -5.500 3.531 -7.584 1.00 10.00 C ATOM 546 SG CYS A 52 -5.839 4.185 -5.933 1.00 10.00 S ATOM 0 H CYS A 52 -3.653 2.328 -6.513 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.278 1.580 -7.164 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.570 3.964 -7.952 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.291 3.852 -8.262 1.00 10.00 H new ATOM 0 HG CYS A 52 -7.113 4.412 -5.809 1.00 10.00 H new ATOM 552 N GLN A 53 -4.151 1.491 -9.654 1.00 10.00 N ATOM 553 CA GLN A 53 -3.966 1.035 -11.027 1.00 10.00 C ATOM 554 C GLN A 53 -4.233 -0.464 -11.149 1.00 10.00 C ATOM 555 O GLN A 53 -4.628 -0.948 -12.211 1.00 10.00 O ATOM 556 CB GLN A 53 -2.548 1.346 -11.503 1.00 10.00 C ATOM 557 CG GLN A 53 -2.436 2.666 -12.247 1.00 10.00 C ATOM 558 CD GLN A 53 -1.002 3.041 -12.555 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.091 2.769 -11.771 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.789 3.656 -13.707 1.00 10.00 N ATOM 0 H GLN A 53 -3.291 1.780 -9.188 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.681 1.566 -11.655 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -1.880 1.365 -10.642 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.207 0.541 -12.154 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -2.999 2.603 -13.178 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.894 3.455 -11.650 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.572 3.863 -14.327 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.158 3.924 -13.975 1.00 10.00 H new ATOM 569 N ARG A 54 -4.027 -1.192 -10.058 1.00 10.00 N ATOM 570 CA ARG A 54 -4.240 -2.635 -10.047 1.00 10.00 C ATOM 571 C ARG A 54 -5.721 -2.967 -9.878 1.00 10.00 C ATOM 572 O ARG A 54 -6.209 -3.963 -10.414 1.00 10.00 O ATOM 573 CB ARG A 54 -3.428 -3.282 -8.923 1.00 10.00 C ATOM 574 CG ARG A 54 -3.439 -4.805 -8.954 1.00 10.00 C ATOM 575 CD ARG A 54 -2.271 -5.363 -9.749 1.00 10.00 C ATOM 576 NE ARG A 54 -2.194 -6.817 -9.642 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.061 -7.517 -9.705 1.00 10.00 C ATOM 578 NH1 ARG A 54 0.103 -6.906 -9.899 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.099 -8.836 -9.582 1.00 10.00 N ATOM 0 H ARG A 54 -3.712 -0.806 -9.168 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.905 -3.034 -11.004 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.397 -2.934 -8.986 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.820 -2.945 -7.964 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.401 -5.189 -7.935 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.375 -5.153 -9.391 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -2.375 -5.080 -10.796 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.341 -4.921 -9.390 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.065 -7.331 -9.510 1.00 10.00 H new ATOM 0 HH11 ARG A 54 0.136 -5.892 -10.001 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.964 -7.451 -9.946 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -1.991 -9.309 -9.440 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -0.236 -9.378 -9.629 1.00 10.00 H new ATOM 593 N GLN A 55 -6.434 -2.129 -9.138 1.00 10.00 N ATOM 594 CA GLN A 55 -7.858 -2.350 -8.902 1.00 10.00 C ATOM 595 C GLN A 55 -8.707 -1.671 -9.978 1.00 10.00 C ATOM 596 O GLN A 55 -9.910 -1.918 -10.081 1.00 10.00 O ATOM 597 CB GLN A 55 -8.260 -1.838 -7.517 1.00 10.00 C ATOM 598 CG GLN A 55 -7.461 -2.447 -6.370 1.00 10.00 C ATOM 599 CD GLN A 55 -7.403 -3.965 -6.420 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.445 -4.547 -6.927 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.429 -4.616 -5.896 1.00 10.00 N ATOM 0 H GLN A 55 -6.054 -1.294 -8.692 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.040 -3.424 -8.948 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.140 -0.755 -7.493 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.318 -2.045 -7.358 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.446 -2.050 -6.392 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.904 -2.138 -5.423 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.205 -4.098 -5.484 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.444 -5.636 -5.904 1.00 10.00 H new ATOM 610 N GLY A 56 -8.077 -0.811 -10.770 1.00 10.00 N ATOM 611 CA GLY A 56 -8.785 -0.115 -11.830 1.00 10.00 C ATOM 612 C GLY A 56 -9.604 1.049 -11.313 1.00 10.00 C ATOM 613 O GLY A 56 -10.774 1.201 -11.670 1.00 10.00 O ATOM 0 H GLY A 56 -7.086 -0.582 -10.697 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.067 0.248 -12.565 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.441 -0.816 -12.346 1.00 10.00 H new ATOM 617 N VAL A 57 -8.989 1.870 -10.470 1.00 10.00 N ATOM 618 CA VAL A 57 -9.659 3.029 -9.890 1.00 10.00 C ATOM 619 C VAL A 57 -8.712 4.228 -9.841 1.00 10.00 C ATOM 620 O VAL A 57 -7.493 4.059 -9.899 1.00 10.00 O ATOM 621 CB VAL A 57 -10.180 2.734 -8.462 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.515 2.009 -8.512 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.163 1.925 -7.673 1.00 10.00 C ATOM 0 H VAL A 57 -8.021 1.754 -10.171 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.511 3.259 -10.529 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.328 3.687 -7.954 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.861 1.813 -7.497 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.246 2.629 -9.031 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.397 1.065 -9.044 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.550 1.730 -6.673 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.977 0.979 -8.181 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.231 2.486 -7.598 1.00 10.00 H new ATOM 633 N PRO A 58 -9.257 5.456 -9.759 1.00 10.00 N ATOM 634 CA PRO A 58 -8.447 6.679 -9.686 1.00 10.00 C ATOM 635 C PRO A 58 -7.731 6.810 -8.343 1.00 10.00 C ATOM 636 O PRO A 58 -7.917 5.982 -7.455 1.00 10.00 O ATOM 637 CB PRO A 58 -9.481 7.798 -9.851 1.00 10.00 C ATOM 638 CG PRO A 58 -10.754 7.203 -9.363 1.00 10.00 C ATOM 639 CD PRO A 58 -10.703 5.753 -9.752 1.00 10.00 C ATOM 0 HA PRO A 58 -7.658 6.696 -10.438 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.207 8.680 -9.272 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.563 8.113 -10.891 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -10.849 7.315 -8.283 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.615 7.698 -9.812 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.239 5.126 -9.040 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.154 5.582 -10.730 1.00 10.00 H new ATOM 647 N MET A 59 -6.924 7.849 -8.190 1.00 10.00 N ATOM 648 CA MET A 59 -6.193 8.066 -6.947 1.00 10.00 C ATOM 649 C MET A 59 -7.101 8.710 -5.904 1.00 10.00 C ATOM 650 O MET A 59 -8.047 9.420 -6.254 1.00 10.00 O ATOM 651 CB MET A 59 -4.961 8.943 -7.194 1.00 10.00 C ATOM 652 CG MET A 59 -3.938 8.891 -6.068 1.00 10.00 C ATOM 653 SD MET A 59 -2.540 9.996 -6.343 1.00 10.00 S ATOM 654 CE MET A 59 -1.520 9.617 -4.919 1.00 10.00 C ATOM 0 H MET A 59 -6.758 8.554 -8.908 1.00 10.00 H new ATOM 0 HA MET A 59 -5.859 7.099 -6.570 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.483 8.630 -8.122 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.283 9.975 -7.334 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.424 9.155 -5.129 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.573 7.870 -5.962 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.920 10.489 -4.659 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.157 9.350 -4.076 1.00 10.00 H new ATOM 0 HE3 MET A 59 -0.862 8.781 -5.155 1.00 10.00 H new ATOM 664 N ASN A 60 -6.814 8.436 -4.628 1.00 10.00 N ATOM 665 CA ASN A 60 -7.590 8.969 -3.502 1.00 10.00 C ATOM 666 C ASN A 60 -8.967 8.311 -3.453 1.00 10.00 C ATOM 667 O ASN A 60 -9.954 8.914 -3.031 1.00 10.00 O ATOM 668 CB ASN A 60 -7.714 10.500 -3.587 1.00 10.00 C ATOM 669 CG ASN A 60 -8.002 11.148 -2.241 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.104 11.317 -1.413 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.246 11.537 -2.020 1.00 10.00 N ATOM 0 H ASN A 60 -6.037 7.838 -4.345 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.060 8.734 -2.579 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.790 10.912 -3.992 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.511 10.756 -4.285 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.489 11.994 -1.141 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -9.963 11.380 -2.729 1.00 10.00 H new ATOM 678 N SER A 61 -9.017 7.059 -3.884 1.00 10.00 N ATOM 679 CA SER A 61 -10.256 6.299 -3.896 1.00 10.00 C ATOM 680 C SER A 61 -10.347 5.397 -2.672 1.00 10.00 C ATOM 681 O SER A 61 -11.434 5.110 -2.173 1.00 10.00 O ATOM 682 CB SER A 61 -10.330 5.457 -5.168 1.00 10.00 C ATOM 683 OG SER A 61 -9.070 4.872 -5.460 1.00 10.00 O ATOM 0 H SER A 61 -8.207 6.546 -4.232 1.00 10.00 H new ATOM 0 HA SER A 61 -11.093 6.997 -3.872 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.080 4.675 -5.049 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.649 6.080 -6.004 1.00 10.00 H new ATOM 0 HG SER A 61 -8.845 5.032 -6.400 1.00 10.00 H new ATOM 689 N LEU A 62 -9.195 4.953 -2.195 1.00 10.00 N ATOM 690 CA LEU A 62 -9.136 4.076 -1.038 1.00 10.00 C ATOM 691 C LEU A 62 -8.094 4.568 -0.045 1.00 10.00 C ATOM 692 O LEU A 62 -7.027 5.049 -0.435 1.00 10.00 O ATOM 693 CB LEU A 62 -8.818 2.638 -1.465 1.00 10.00 C ATOM 694 CG LEU A 62 -9.899 1.950 -2.305 1.00 10.00 C ATOM 695 CD1 LEU A 62 -9.477 1.873 -3.765 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.199 0.561 -1.759 1.00 10.00 C ATOM 0 H LEU A 62 -8.286 5.187 -2.593 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.113 4.088 -0.554 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.888 2.643 -2.033 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.642 2.041 -0.570 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.810 2.546 -2.244 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -10.258 1.381 -4.344 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -9.318 2.880 -4.151 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.552 1.303 -3.847 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.969 0.089 -2.369 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -9.293 -0.044 -1.786 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.550 0.642 -0.730 1.00 10.00 H new ATOM 708 N ARG A 63 -8.412 4.453 1.235 1.00 10.00 N ATOM 709 CA ARG A 63 -7.512 4.887 2.292 1.00 10.00 C ATOM 710 C ARG A 63 -6.689 3.714 2.808 1.00 10.00 C ATOM 711 O ARG A 63 -7.209 2.614 3.005 1.00 10.00 O ATOM 712 CB ARG A 63 -8.292 5.526 3.446 1.00 10.00 C ATOM 713 CG ARG A 63 -9.325 4.604 4.077 1.00 10.00 C ATOM 714 CD ARG A 63 -10.092 5.290 5.198 1.00 10.00 C ATOM 715 NE ARG A 63 -11.237 4.495 5.635 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.452 4.578 5.091 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.682 5.427 4.091 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.432 3.797 5.534 1.00 10.00 N ATOM 0 H ARG A 63 -9.292 4.060 1.568 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.838 5.634 1.873 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.588 5.846 4.214 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.794 6.422 3.080 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.025 4.267 3.313 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.828 3.716 4.468 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.425 5.462 6.043 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.436 6.267 4.859 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.099 3.837 6.402 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.928 6.016 3.739 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.612 5.488 3.677 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.255 3.135 6.289 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.361 3.860 5.119 1.00 10.00 H new ATOM 732 N PHE A 64 -5.404 3.956 3.007 1.00 10.00 N ATOM 733 CA PHE A 64 -4.501 2.937 3.515 1.00 10.00 C ATOM 734 C PHE A 64 -4.282 3.174 4.998 1.00 10.00 C ATOM 735 O PHE A 64 -3.687 4.177 5.392 1.00 10.00 O ATOM 736 CB PHE A 64 -3.168 2.969 2.765 1.00 10.00 C ATOM 737 CG PHE A 64 -3.312 2.815 1.277 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.215 3.916 0.442 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.550 1.570 0.716 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.352 3.779 -0.925 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.687 1.428 -0.651 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.589 2.534 -1.473 1.00 10.00 C ATOM 0 H PHE A 64 -4.960 4.856 2.823 1.00 10.00 H new ATOM 0 HA PHE A 64 -4.943 1.953 3.361 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.664 3.912 2.977 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.528 2.172 3.144 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.030 4.892 0.865 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.629 0.702 1.354 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.274 4.645 -1.565 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.871 0.453 -1.077 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.698 2.425 -2.542 1.00 10.00 H new ATOM 752 N LEU A 65 -4.777 2.260 5.814 1.00 10.00 N ATOM 753 CA LEU A 65 -4.664 2.392 7.255 1.00 10.00 C ATOM 754 C LEU A 65 -3.582 1.489 7.819 1.00 10.00 C ATOM 755 O LEU A 65 -3.550 0.285 7.555 1.00 10.00 O ATOM 756 CB LEU A 65 -6.006 2.087 7.921 1.00 10.00 C ATOM 757 CG LEU A 65 -7.150 3.030 7.543 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.452 2.567 8.172 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.834 4.456 7.965 1.00 10.00 C ATOM 0 H LEU A 65 -5.261 1.418 5.503 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.381 3.422 7.471 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.297 1.068 7.666 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.872 2.119 9.002 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.263 3.011 6.459 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.254 3.250 7.892 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.690 1.564 7.819 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.348 2.555 9.257 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.661 5.110 7.687 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.690 4.493 9.045 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.924 4.790 7.467 1.00 10.00 H new ATOM 771 N PHE A 66 -2.708 2.088 8.606 1.00 10.00 N ATOM 772 CA PHE A 66 -1.612 1.382 9.239 1.00 10.00 C ATOM 773 C PHE A 66 -1.501 1.828 10.691 1.00 10.00 C ATOM 774 O PHE A 66 -1.260 3.006 10.966 1.00 10.00 O ATOM 775 CB PHE A 66 -0.304 1.658 8.489 1.00 10.00 C ATOM 776 CG PHE A 66 0.906 1.017 9.110 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.961 -0.355 9.298 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.992 1.789 9.501 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.071 -0.946 9.867 1.00 10.00 C ATOM 780 CE2 PHE A 66 3.106 1.201 10.071 1.00 10.00 C ATOM 781 CZ PHE A 66 3.145 -0.168 10.253 1.00 10.00 C ATOM 0 H PHE A 66 -2.739 3.084 8.825 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.802 0.309 9.208 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.404 1.303 7.463 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.146 2.735 8.440 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.125 -0.969 8.996 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.966 2.859 9.358 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.100 -2.016 10.010 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.944 1.811 10.374 1.00 10.00 H new ATOM 0 HZ PHE A 66 4.015 -0.630 10.697 1.00 10.00 H new ATOM 791 N GLU A 67 -1.712 0.887 11.610 1.00 10.00 N ATOM 792 CA GLU A 67 -1.651 1.168 13.043 1.00 10.00 C ATOM 793 C GLU A 67 -2.721 2.182 13.440 1.00 10.00 C ATOM 794 O GLU A 67 -2.537 2.968 14.369 1.00 10.00 O ATOM 795 CB GLU A 67 -0.262 1.683 13.432 1.00 10.00 C ATOM 796 CG GLU A 67 0.807 0.605 13.422 1.00 10.00 C ATOM 797 CD GLU A 67 0.582 -0.428 14.500 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.178 -1.392 14.265 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.162 -0.278 15.596 1.00 10.00 O ATOM 0 H GLU A 67 -1.928 -0.084 11.385 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.840 0.238 13.580 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.028 2.478 12.745 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.312 2.125 14.427 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.818 0.115 12.448 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.786 1.064 13.559 1.00 10.00 H new ATOM 806 N GLY A 68 -3.835 2.165 12.720 1.00 10.00 N ATOM 807 CA GLY A 68 -4.918 3.086 13.007 1.00 10.00 C ATOM 808 C GLY A 68 -4.799 4.377 12.219 1.00 10.00 C ATOM 809 O GLY A 68 -5.807 4.981 11.852 1.00 10.00 O ATOM 0 H GLY A 68 -4.008 1.529 11.941 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.870 2.608 12.775 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.926 3.313 14.073 1.00 10.00 H new ATOM 813 N GLN A 69 -3.567 4.793 11.955 1.00 10.00 N ATOM 814 CA GLN A 69 -3.314 6.017 11.205 1.00 10.00 C ATOM 815 C GLN A 69 -3.418 5.744 9.712 1.00 10.00 C ATOM 816 O GLN A 69 -3.566 4.595 9.295 1.00 10.00 O ATOM 817 CB GLN A 69 -1.937 6.581 11.557 1.00 10.00 C ATOM 818 CG GLN A 69 -1.824 7.020 13.009 1.00 10.00 C ATOM 819 CD GLN A 69 -0.431 7.487 13.380 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.567 7.022 12.829 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.354 8.406 14.327 1.00 10.00 N ATOM 0 H GLN A 69 -2.725 4.299 12.250 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.065 6.759 11.475 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.179 5.825 11.352 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.723 7.431 10.909 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.533 7.827 13.195 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.108 6.190 13.657 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.205 8.766 14.759 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.557 8.755 14.626 1.00 10.00 H new ATOM 830 N ARG A 70 -3.333 6.788 8.904 1.00 10.00 N ATOM 831 CA ARG A 70 -3.440 6.628 7.464 1.00 10.00 C ATOM 832 C ARG A 70 -2.136 6.989 6.768 1.00 10.00 C ATOM 833 O ARG A 70 -1.368 7.821 7.253 1.00 10.00 O ATOM 834 CB ARG A 70 -4.582 7.487 6.916 1.00 10.00 C ATOM 835 CG ARG A 70 -4.333 8.983 7.024 1.00 10.00 C ATOM 836 CD ARG A 70 -5.394 9.776 6.283 1.00 10.00 C ATOM 837 NE ARG A 70 -5.654 9.227 4.954 1.00 10.00 N ATOM 838 CZ ARG A 70 -6.845 9.247 4.360 1.00 10.00 C ATOM 839 NH1 ARG A 70 -7.888 9.788 4.973 1.00 10.00 N ATOM 840 NH2 ARG A 70 -6.995 8.701 3.163 1.00 10.00 N ATOM 0 H ARG A 70 -3.191 7.748 9.218 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.653 5.578 7.261 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.747 7.230 5.870 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.498 7.241 7.453 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.324 9.277 8.074 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.350 9.220 6.618 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.317 9.777 6.862 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.074 10.814 6.191 1.00 10.00 H new ATOM 0 HE ARG A 70 -4.875 8.802 4.451 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -7.780 10.191 5.904 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -8.799 9.801 4.514 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.199 8.266 2.697 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -7.907 8.715 2.707 1.00 10.00 H new ATOM 854 N ILE A 71 -1.892 6.342 5.637 1.00 10.00 N ATOM 855 CA ILE A 71 -0.696 6.598 4.850 1.00 10.00 C ATOM 856 C ILE A 71 -0.913 7.818 3.962 1.00 10.00 C ATOM 857 O ILE A 71 -1.820 7.838 3.124 1.00 10.00 O ATOM 858 CB ILE A 71 -0.317 5.384 3.972 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.155 4.124 4.833 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.960 5.664 3.190 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.909 4.242 5.907 1.00 10.00 C ATOM 0 H ILE A 71 -2.510 5.633 5.243 1.00 10.00 H new ATOM 0 HA ILE A 71 0.124 6.782 5.545 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.124 5.213 3.260 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.110 3.895 5.306 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.090 3.283 4.185 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.210 4.797 2.578 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.810 6.531 2.547 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.776 5.865 3.885 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.961 3.311 6.471 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.875 4.439 5.442 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.657 5.061 6.581 1.00 10.00 H new ATOM 873 N ALA A 72 -0.088 8.831 4.156 1.00 10.00 N ATOM 874 CA ALA A 72 -0.190 10.061 3.390 1.00 10.00 C ATOM 875 C ALA A 72 0.629 9.979 2.110 1.00 10.00 C ATOM 876 O ALA A 72 1.233 8.949 1.809 1.00 10.00 O ATOM 877 CB ALA A 72 0.261 11.244 4.236 1.00 10.00 C ATOM 0 H ALA A 72 0.666 8.826 4.843 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.234 10.204 3.111 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.180 12.161 3.652 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.371 11.321 5.121 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.297 11.099 4.542 1.00 10.00 H new ATOM 883 N ASP A 73 0.639 11.067 1.356 1.00 10.00 N ATOM 884 CA ASP A 73 1.387 11.127 0.107 1.00 10.00 C ATOM 885 C ASP A 73 2.880 11.246 0.389 1.00 10.00 C ATOM 886 O ASP A 73 3.711 10.781 -0.387 1.00 10.00 O ATOM 887 CB ASP A 73 0.923 12.315 -0.741 1.00 10.00 C ATOM 888 CG ASP A 73 -0.244 11.976 -1.645 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.176 11.277 -1.191 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.244 12.420 -2.811 1.00 10.00 O ATOM 0 H ASP A 73 0.136 11.924 1.587 1.00 10.00 H new ATOM 0 HA ASP A 73 1.202 10.206 -0.446 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.639 13.136 -0.082 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.756 12.668 -1.349 1.00 10.00 H new ATOM 895 N ASN A 74 3.207 11.864 1.512 1.00 10.00 N ATOM 896 CA ASN A 74 4.596 12.058 1.905 1.00 10.00 C ATOM 897 C ASN A 74 4.984 11.093 3.020 1.00 10.00 C ATOM 898 O ASN A 74 5.241 11.495 4.153 1.00 10.00 O ATOM 899 CB ASN A 74 4.842 13.511 2.344 1.00 10.00 C ATOM 900 CG ASN A 74 3.923 13.980 3.465 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.728 13.677 3.485 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.480 14.724 4.409 1.00 10.00 N ATOM 0 H ASN A 74 2.527 12.242 2.171 1.00 10.00 H new ATOM 0 HA ASN A 74 5.222 11.850 1.037 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.877 13.612 2.670 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.713 14.167 1.483 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.916 15.067 5.187 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.472 14.954 4.358 1.00 10.00 H new ATOM 909 N HIS A 75 5.024 9.812 2.695 1.00 10.00 N ATOM 910 CA HIS A 75 5.383 8.796 3.671 1.00 10.00 C ATOM 911 C HIS A 75 6.401 7.822 3.088 1.00 10.00 C ATOM 912 O HIS A 75 6.348 7.483 1.903 1.00 10.00 O ATOM 913 CB HIS A 75 4.139 8.037 4.143 1.00 10.00 C ATOM 914 CG HIS A 75 3.600 8.517 5.458 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.251 8.509 5.731 1.00 10.00 N ATOM 916 CD2 HIS A 75 4.263 8.993 6.538 1.00 10.00 C ATOM 917 CE1 HIS A 75 2.127 8.976 6.963 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.319 9.282 7.487 1.00 10.00 N ATOM 0 H HIS A 75 4.813 9.451 1.765 1.00 10.00 H new ATOM 0 HA HIS A 75 5.833 9.297 4.528 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.360 8.129 3.386 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.381 6.977 4.225 1.00 10.00 H new ATOM 0 HD2 HIS A 75 5.331 9.120 6.633 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.185 9.095 7.479 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.492 9.660 8.419 1.00 10.00 H new ATOM 926 N THR A 76 7.341 7.405 3.917 1.00 10.00 N ATOM 927 CA THR A 76 8.368 6.465 3.505 1.00 10.00 C ATOM 928 C THR A 76 8.226 5.159 4.284 1.00 10.00 C ATOM 929 O THR A 76 7.847 5.177 5.453 1.00 10.00 O ATOM 930 CB THR A 76 9.785 7.041 3.714 1.00 10.00 C ATOM 931 OG1 THR A 76 9.880 7.691 4.990 1.00 10.00 O ATOM 932 CG2 THR A 76 10.140 8.028 2.611 1.00 10.00 C ATOM 0 H THR A 76 7.414 7.706 4.889 1.00 10.00 H new ATOM 0 HA THR A 76 8.233 6.275 2.440 1.00 10.00 H new ATOM 0 HB THR A 76 10.490 6.211 3.681 1.00 10.00 H new ATOM 0 HG1 THR A 76 9.235 8.427 5.031 1.00 10.00 H new ATOM 0 HG21 THR A 76 11.143 8.419 2.782 1.00 10.00 H new ATOM 0 HG22 THR A 76 10.107 7.522 1.646 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.424 8.850 2.614 1.00 10.00 H new ATOM 940 N PRO A 77 8.512 4.011 3.649 1.00 10.00 N ATOM 941 CA PRO A 77 8.407 2.694 4.298 1.00 10.00 C ATOM 942 C PRO A 77 9.285 2.560 5.542 1.00 10.00 C ATOM 943 O PRO A 77 8.985 1.769 6.435 1.00 10.00 O ATOM 944 CB PRO A 77 8.878 1.719 3.216 1.00 10.00 C ATOM 945 CG PRO A 77 8.701 2.446 1.932 1.00 10.00 C ATOM 946 CD PRO A 77 8.935 3.896 2.243 1.00 10.00 C ATOM 0 HA PRO A 77 7.393 2.513 4.653 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.920 1.436 3.368 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.292 0.800 3.232 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.406 2.089 1.181 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.700 2.290 1.530 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.982 4.172 2.114 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.351 4.547 1.592 1.00 10.00 H new ATOM 954 N LYS A 78 10.368 3.326 5.596 1.00 10.00 N ATOM 955 CA LYS A 78 11.275 3.269 6.735 1.00 10.00 C ATOM 956 C LYS A 78 10.665 3.932 7.971 1.00 10.00 C ATOM 957 O LYS A 78 10.852 3.454 9.090 1.00 10.00 O ATOM 958 CB LYS A 78 12.615 3.932 6.390 1.00 10.00 C ATOM 959 CG LYS A 78 13.657 3.837 7.501 1.00 10.00 C ATOM 960 CD LYS A 78 14.005 2.391 7.835 1.00 10.00 C ATOM 961 CE LYS A 78 14.818 1.739 6.730 1.00 10.00 C ATOM 962 NZ LYS A 78 14.960 0.274 6.936 1.00 10.00 N ATOM 0 H LYS A 78 10.638 3.989 4.870 1.00 10.00 H new ATOM 0 HA LYS A 78 11.447 2.218 6.966 1.00 10.00 H new ATOM 0 HB2 LYS A 78 13.016 3.469 5.488 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.440 4.983 6.158 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.560 4.366 7.197 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.281 4.335 8.395 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.567 2.358 8.768 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.088 1.824 7.995 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.339 1.926 5.769 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.806 2.197 6.688 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 15.968 0.031 7.018 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 14.465 -0.004 7.808 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 14.546 -0.232 6.127 1.00 10.00 H new ATOM 976 N GLU A 79 9.930 5.021 7.771 1.00 10.00 N ATOM 977 CA GLU A 79 9.319 5.730 8.887 1.00 10.00 C ATOM 978 C GLU A 79 8.062 5.002 9.358 1.00 10.00 C ATOM 979 O GLU A 79 7.642 4.019 8.740 1.00 10.00 O ATOM 980 CB GLU A 79 9.007 7.183 8.504 1.00 10.00 C ATOM 981 CG GLU A 79 7.771 7.351 7.640 1.00 10.00 C ATOM 982 CD GLU A 79 7.587 8.777 7.170 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.195 9.634 7.987 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.836 9.048 5.979 1.00 10.00 O ATOM 0 H GLU A 79 9.745 5.428 6.854 1.00 10.00 H new ATOM 0 HA GLU A 79 10.029 5.750 9.714 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.881 7.767 9.415 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.865 7.599 7.975 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.843 6.692 6.775 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.891 7.041 8.204 1.00 10.00 H new ATOM 991 N LEU A 80 7.485 5.484 10.462 1.00 10.00 N ATOM 992 CA LEU A 80 6.282 4.900 11.068 1.00 10.00 C ATOM 993 C LEU A 80 6.602 3.568 11.744 1.00 10.00 C ATOM 994 O LEU A 80 6.262 3.359 12.908 1.00 10.00 O ATOM 995 CB LEU A 80 5.148 4.720 10.045 1.00 10.00 C ATOM 996 CG LEU A 80 4.465 6.012 9.588 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.375 5.707 8.573 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.887 6.764 10.776 1.00 10.00 C ATOM 0 H LEU A 80 7.841 6.297 10.965 1.00 10.00 H new ATOM 0 HA LEU A 80 5.935 5.604 11.825 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.550 4.212 9.168 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.393 4.063 10.477 1.00 10.00 H new ATOM 0 HG LEU A 80 5.215 6.645 9.113 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.900 6.636 8.259 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.813 5.212 7.706 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.629 5.053 9.025 1.00 10.00 H new ATOM 0 HD21 LEU A 80 3.406 7.679 10.429 1.00 10.00 H new ATOM 0 HD22 LEU A 80 3.152 6.137 11.281 1.00 10.00 H new ATOM 0 HD23 LEU A 80 4.688 7.016 11.471 1.00 10.00 H new ATOM 1010 N GLY A 81 7.255 2.673 11.017 1.00 10.00 N ATOM 1011 CA GLY A 81 7.617 1.386 11.571 1.00 10.00 C ATOM 1012 C GLY A 81 7.047 0.230 10.777 1.00 10.00 C ATOM 1013 O GLY A 81 6.208 -0.519 11.276 1.00 10.00 O ATOM 0 H GLY A 81 7.541 2.817 10.049 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.703 1.300 11.602 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.263 1.325 12.600 1.00 10.00 H new ATOM 1017 N MET A 82 7.491 0.087 9.538 1.00 10.00 N ATOM 1018 CA MET A 82 7.019 -0.995 8.683 1.00 10.00 C ATOM 1019 C MET A 82 8.013 -2.148 8.687 1.00 10.00 C ATOM 1020 O MET A 82 9.223 -1.933 8.792 1.00 10.00 O ATOM 1021 CB MET A 82 6.789 -0.497 7.254 1.00 10.00 C ATOM 1022 CG MET A 82 5.554 0.379 7.104 1.00 10.00 C ATOM 1023 SD MET A 82 5.287 0.927 5.407 1.00 10.00 S ATOM 1024 CE MET A 82 3.598 1.516 5.516 1.00 10.00 C ATOM 0 H MET A 82 8.176 0.704 9.101 1.00 10.00 H new ATOM 0 HA MET A 82 6.068 -1.352 9.079 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.664 0.065 6.929 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.697 -1.356 6.589 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.679 -0.174 7.444 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.652 1.251 7.751 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.280 1.891 4.543 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.946 0.697 5.821 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.539 2.319 6.251 1.00 10.00 H new ATOM 1034 N GLU A 83 7.504 -3.367 8.573 1.00 10.00 N ATOM 1035 CA GLU A 83 8.351 -4.552 8.571 1.00 10.00 C ATOM 1036 C GLU A 83 7.823 -5.597 7.598 1.00 10.00 C ATOM 1037 O GLU A 83 6.760 -5.426 7.001 1.00 10.00 O ATOM 1038 CB GLU A 83 8.437 -5.153 9.977 1.00 10.00 C ATOM 1039 CG GLU A 83 9.823 -5.057 10.600 1.00 10.00 C ATOM 1040 CD GLU A 83 10.901 -5.693 9.744 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.679 -6.803 9.216 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.982 -5.083 9.595 1.00 10.00 O ATOM 0 H GLU A 83 6.507 -3.561 8.481 1.00 10.00 H new ATOM 0 HA GLU A 83 9.348 -4.249 8.251 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.722 -4.645 10.624 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.140 -6.201 9.933 1.00 10.00 H new ATOM 0 HG2 GLU A 83 10.069 -4.008 10.765 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.811 -5.540 11.577 1.00 10.00 H new ATOM 1049 N GLU A 84 8.571 -6.681 7.458 1.00 10.00 N ATOM 1050 CA GLU A 84 8.210 -7.771 6.565 1.00 10.00 C ATOM 1051 C GLU A 84 7.104 -8.626 7.185 1.00 10.00 C ATOM 1052 O GLU A 84 7.002 -8.721 8.412 1.00 10.00 O ATOM 1053 CB GLU A 84 9.458 -8.618 6.279 1.00 10.00 C ATOM 1054 CG GLU A 84 9.208 -9.858 5.435 1.00 10.00 C ATOM 1055 CD GLU A 84 8.633 -9.536 4.073 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.359 -8.960 3.236 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.454 -9.865 3.831 1.00 10.00 O ATOM 0 H GLU A 84 9.446 -6.830 7.961 1.00 10.00 H new ATOM 0 HA GLU A 84 7.830 -7.364 5.628 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.195 -7.994 5.773 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.897 -8.924 7.228 1.00 10.00 H new ATOM 0 HG2 GLU A 84 10.145 -10.401 5.309 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.524 -10.521 5.965 1.00 10.00 H new ATOM 1064 N GLU A 85 6.277 -9.229 6.329 1.00 10.00 N ATOM 1065 CA GLU A 85 5.177 -10.088 6.766 1.00 10.00 C ATOM 1066 C GLU A 85 4.153 -9.313 7.596 1.00 10.00 C ATOM 1067 O GLU A 85 3.509 -9.874 8.486 1.00 10.00 O ATOM 1068 CB GLU A 85 5.714 -11.273 7.579 1.00 10.00 C ATOM 1069 CG GLU A 85 6.497 -12.286 6.757 1.00 10.00 C ATOM 1070 CD GLU A 85 5.618 -13.374 6.185 1.00 10.00 C ATOM 1071 OE1 GLU A 85 5.280 -13.299 4.985 1.00 10.00 O ATOM 1072 OE2 GLU A 85 5.256 -14.305 6.931 1.00 10.00 O ATOM 0 H GLU A 85 6.351 -9.135 5.316 1.00 10.00 H new ATOM 0 HA GLU A 85 4.677 -10.460 5.872 1.00 10.00 H new ATOM 0 HB2 GLU A 85 6.355 -10.893 8.375 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.877 -11.780 8.059 1.00 10.00 H new ATOM 0 HG2 GLU A 85 7.008 -11.771 5.943 1.00 10.00 H new ATOM 0 HG3 GLU A 85 7.268 -12.738 7.382 1.00 10.00 H new ATOM 1079 N ASP A 86 3.991 -8.030 7.302 1.00 10.00 N ATOM 1080 CA ASP A 86 3.039 -7.207 8.034 1.00 10.00 C ATOM 1081 C ASP A 86 1.767 -7.001 7.223 1.00 10.00 C ATOM 1082 O ASP A 86 1.762 -7.179 6.004 1.00 10.00 O ATOM 1083 CB ASP A 86 3.651 -5.858 8.405 1.00 10.00 C ATOM 1084 CG ASP A 86 3.052 -5.295 9.678 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.310 -6.030 10.365 1.00 10.00 O ATOM 1086 OD2 ASP A 86 3.322 -4.120 10.003 1.00 10.00 O ATOM 0 H ASP A 86 4.502 -7.540 6.568 1.00 10.00 H new ATOM 0 HA ASP A 86 2.785 -7.733 8.954 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.728 -5.970 8.530 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.496 -5.153 7.588 1.00 10.00 H new ATOM 1091 N VAL A 87 0.693 -6.630 7.897 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.590 -6.424 7.238 1.00 10.00 C ATOM 1093 C VAL A 87 -1.015 -4.960 7.272 1.00 10.00 C ATOM 1094 O VAL A 87 -0.745 -4.243 8.236 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.702 -7.284 7.879 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -1.521 -8.749 7.526 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.728 -7.099 9.391 1.00 10.00 C ATOM 0 H VAL A 87 0.681 -6.464 8.903 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.453 -6.730 6.201 1.00 10.00 H new ATOM 0 HB VAL A 87 -2.659 -6.950 7.477 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -2.315 -9.335 7.988 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -1.563 -8.870 6.444 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -0.554 -9.095 7.892 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -2.519 -7.715 9.819 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.768 -7.398 9.811 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -1.916 -6.051 9.626 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.681 -4.528 6.213 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.164 -3.158 6.110 1.00 10.00 C ATOM 1109 C ILE A 88 -3.652 -3.160 5.754 1.00 10.00 C ATOM 1110 O ILE A 88 -4.150 -4.115 5.147 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.351 -2.349 5.066 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.696 -0.857 5.140 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.587 -2.887 3.664 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.816 0.017 4.271 1.00 10.00 C ATOM 0 H ILE A 88 -1.901 -5.111 5.406 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.029 -2.672 7.076 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.293 -2.463 5.301 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.736 -0.719 4.843 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.613 -0.525 6.175 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.007 -2.304 2.948 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -1.277 -3.931 3.618 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.646 -2.812 3.419 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.120 1.058 4.376 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.223 -0.090 4.581 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.917 -0.287 3.229 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.364 -2.121 6.160 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.791 -2.018 5.890 1.00 10.00 C ATOM 1128 C GLU A 89 -6.059 -1.073 4.726 1.00 10.00 C ATOM 1129 O GLU A 89 -5.305 -0.127 4.498 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.531 -1.518 7.129 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.961 -2.619 8.079 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.662 -2.076 9.305 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.875 -2.336 9.476 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.005 -1.378 10.106 1.00 10.00 O ATOM 0 H GLU A 89 -3.976 -1.334 6.680 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.153 -3.012 5.627 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.889 -0.820 7.666 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.413 -0.961 6.812 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -7.626 -3.307 7.557 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.087 -3.193 8.387 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.137 -1.331 4.005 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.522 -0.504 2.873 1.00 10.00 C ATOM 1143 C VAL A 90 -9.045 -0.494 2.716 1.00 10.00 C ATOM 1144 O VAL A 90 -9.679 -1.545 2.603 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.844 -0.975 1.561 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.209 -2.417 1.229 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.201 -0.050 0.409 1.00 10.00 C ATOM 0 H VAL A 90 -7.766 -2.113 4.185 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.179 0.511 3.073 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.766 -0.935 1.714 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.716 -2.713 0.303 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.884 -3.070 2.039 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.289 -2.500 1.108 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.715 -0.399 -0.502 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.282 -0.048 0.266 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.863 0.961 0.636 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.632 0.694 2.754 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.077 0.839 2.617 1.00 10.00 C ATOM 1159 C TYR A 91 -11.392 1.984 1.666 1.00 10.00 C ATOM 1160 O TYR A 91 -10.643 2.960 1.600 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.728 1.101 3.981 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.516 -0.008 4.992 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.420 -1.057 5.104 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.412 -0.003 5.835 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.227 -2.071 6.027 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.215 -1.011 6.757 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.124 -2.041 6.852 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.924 -3.048 7.772 1.00 10.00 O ATOM 0 H TYR A 91 -9.130 1.573 2.879 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.482 -0.089 2.214 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.330 2.030 4.389 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.799 1.248 3.838 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.287 -1.082 4.461 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.696 0.803 5.768 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.937 -2.881 6.100 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.350 -0.992 7.403 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.117 -2.858 8.294 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.486 1.860 0.928 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.884 2.891 -0.022 1.00 10.00 C ATOM 1180 C GLN A 92 -13.266 4.177 0.698 1.00 10.00 C ATOM 1181 O GLN A 92 -13.900 4.154 1.756 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.054 2.417 -0.888 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.259 3.264 -2.136 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.695 3.272 -2.616 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.106 2.419 -3.405 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.462 4.249 -2.158 1.00 10.00 N ATOM 0 H GLN A 92 -13.114 1.057 0.968 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.028 3.090 -0.667 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.883 1.382 -1.184 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.967 2.432 -0.293 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -13.945 4.287 -1.930 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.617 2.888 -2.933 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.080 4.934 -1.506 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.435 4.317 -2.457 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.871 5.296 0.117 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.162 6.599 0.681 1.00 10.00 C ATOM 1197 C GLU A 93 -14.590 7.013 0.361 1.00 10.00 C ATOM 1198 O GLU A 93 -15.165 6.584 -0.647 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.186 7.639 0.132 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.743 7.382 0.526 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.421 7.875 1.920 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.164 7.536 2.867 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.421 8.605 2.076 1.00 10.00 O ATOM 0 H GLU A 93 -12.342 5.326 -0.755 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.050 6.538 1.763 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.260 7.657 -0.955 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.481 8.626 0.488 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.540 6.313 0.467 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.083 7.872 -0.190 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.156 7.853 1.214 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.516 8.336 1.022 1.00 10.00 C ATOM 1212 C GLN A 94 -16.570 9.297 -0.161 1.00 10.00 C ATOM 1213 O GLN A 94 -17.606 9.461 -0.802 1.00 10.00 O ATOM 1214 CB GLN A 94 -17.019 9.025 2.291 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.438 9.546 2.176 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.959 10.114 3.478 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -18.192 10.601 4.313 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -20.267 10.060 3.660 1.00 10.00 N ATOM 0 H GLN A 94 -14.694 8.215 2.048 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.163 7.485 0.811 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.965 8.322 3.122 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.354 9.855 2.532 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.476 10.317 1.407 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -19.092 8.738 1.849 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.865 9.649 2.943 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.678 10.430 4.517 1.00 10.00 H new ATOM 1227 N THR A 95 -15.437 9.917 -0.449 1.00 10.00 N ATOM 1228 CA THR A 95 -15.330 10.854 -1.554 1.00 10.00 C ATOM 1229 C THR A 95 -15.420 10.135 -2.901 1.00 10.00 C ATOM 1230 O THR A 95 -15.797 10.728 -3.914 1.00 10.00 O ATOM 1231 CB THR A 95 -13.999 11.616 -1.472 1.00 10.00 C ATOM 1232 OG1 THR A 95 -13.307 11.230 -0.274 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.233 13.117 -1.469 1.00 10.00 C ATOM 0 H THR A 95 -14.571 9.786 0.073 1.00 10.00 H new ATOM 0 HA THR A 95 -16.161 11.555 -1.479 1.00 10.00 H new ATOM 0 HB THR A 95 -13.397 11.367 -2.346 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.456 11.712 -0.218 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.275 13.634 -1.410 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.747 13.407 -2.386 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.845 13.388 -0.609 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.080 8.855 -2.902 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.119 8.075 -4.124 1.00 10.00 C ATOM 1243 C GLY A 96 -13.773 8.032 -4.818 1.00 10.00 C ATOM 1244 O GLY A 96 -13.235 6.955 -5.080 1.00 10.00 O ATOM 0 H GLY A 96 -14.776 8.340 -2.076 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.440 7.059 -3.895 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.861 8.499 -4.800 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.225 9.203 -5.109 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.939 9.278 -5.770 1.00 10.00 C ATOM 1250 C GLY A 97 -11.778 10.560 -6.555 1.00 10.00 C ATOM 1251 O GLY A 97 -12.437 11.559 -6.251 1.00 10.00 O ATOM 0 H GLY A 97 -13.650 10.106 -4.898 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.145 9.206 -5.027 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -11.826 8.426 -6.440 1.00 10.00 H new ATOM 1256 N ASP B 195 -6.159 -21.271 -5.083 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.075 -20.214 -4.678 1.00 10.00 C ATOM 1258 C ASP B 195 -6.687 -18.907 -5.363 1.00 10.00 C ATOM 1259 O ASP B 195 -6.322 -18.913 -6.542 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.063 -20.058 -3.160 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.369 -19.502 -2.630 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -8.414 -18.300 -2.289 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -9.358 -20.257 -2.562 1.00 10.00 O ATOM 0 HA ASP B 195 -8.088 -20.479 -4.982 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.869 -21.026 -2.699 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.245 -19.398 -2.871 1.00 10.00 H new ATOM 1268 N THR B 196 -6.747 -17.790 -4.646 1.00 10.00 N ATOM 1269 CA THR B 196 -6.389 -16.517 -5.245 1.00 10.00 C ATOM 1270 C THR B 196 -5.221 -15.852 -4.523 1.00 10.00 C ATOM 1271 O THR B 196 -5.277 -15.593 -3.318 1.00 10.00 O ATOM 1272 CB THR B 196 -7.597 -15.566 -5.213 1.00 10.00 C ATOM 1273 OG1 THR B 196 -8.805 -16.318 -5.397 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.491 -14.514 -6.300 1.00 10.00 C ATOM 0 H THR B 196 -7.035 -17.742 -3.669 1.00 10.00 H new ATOM 0 HA THR B 196 -6.087 -16.718 -6.273 1.00 10.00 H new ATOM 0 HB THR B 196 -7.612 -15.064 -4.245 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.574 -15.712 -5.375 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.358 -13.855 -6.254 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.583 -13.929 -6.153 1.00 10.00 H new ATOM 0 HG23 THR B 196 -7.456 -15.000 -7.275 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.152 -15.613 -5.272 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.969 -14.931 -4.763 1.00 10.00 C ATOM 1284 C ALA B 197 -2.564 -13.822 -5.724 1.00 10.00 C ATOM 1285 O ALA B 197 -2.400 -14.075 -6.915 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.824 -15.912 -4.560 1.00 10.00 C ATOM 0 H ALA B 197 -4.081 -15.887 -6.252 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.206 -14.491 -3.794 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.952 -15.380 -4.180 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.123 -16.677 -3.844 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.575 -16.383 -5.511 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.403 -12.608 -5.233 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.995 -11.519 -6.100 1.00 10.00 C ATOM 1294 C GLY B 198 -0.728 -10.860 -5.609 1.00 10.00 C ATOM 1295 O GLY B 198 -0.652 -10.483 -4.444 1.00 10.00 O ATOM 0 H GLY B 198 -2.545 -12.353 -4.256 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.841 -11.897 -7.111 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.793 -10.779 -6.155 1.00 10.00 H new ATOM 1299 N CYS B 199 0.267 -10.728 -6.475 1.00 10.00 N ATOM 1300 CA CYS B 199 1.522 -10.090 -6.091 1.00 10.00 C ATOM 1301 C CYS B 199 1.818 -8.883 -6.983 1.00 10.00 C ATOM 1302 O CYS B 199 1.816 -8.992 -8.211 1.00 10.00 O ATOM 1303 CB CYS B 199 2.663 -11.108 -6.175 1.00 10.00 C ATOM 1304 SG CYS B 199 2.263 -12.722 -5.463 1.00 10.00 S ATOM 0 H CYS B 199 0.232 -11.051 -7.442 1.00 10.00 H new ATOM 0 HA CYS B 199 1.433 -9.734 -5.065 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.940 -11.242 -7.221 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.536 -10.703 -5.663 1.00 10.00 H new ATOM 0 HG CYS B 199 1.785 -12.561 -4.265 1.00 10.00 H new ATOM 1310 N ILE B 200 2.050 -7.730 -6.367 1.00 10.00 N ATOM 1311 CA ILE B 200 2.343 -6.507 -7.109 1.00 10.00 C ATOM 1312 C ILE B 200 3.638 -5.841 -6.616 1.00 10.00 C ATOM 1313 O ILE B 200 3.824 -5.663 -5.412 1.00 10.00 O ATOM 1314 CB ILE B 200 1.147 -5.525 -7.035 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.520 -4.129 -7.550 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.588 -5.443 -5.621 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.361 -3.157 -7.504 1.00 10.00 C ATOM 0 H ILE B 200 2.041 -7.615 -5.354 1.00 10.00 H new ATOM 0 HA ILE B 200 2.498 -6.780 -8.153 1.00 10.00 H new ATOM 0 HB ILE B 200 0.370 -5.921 -7.689 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.343 -3.735 -6.953 1.00 10.00 H new ATOM 0 HG13 ILE B 200 1.880 -4.210 -8.576 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -0.250 -4.746 -5.601 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.247 -6.430 -5.307 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.366 -5.094 -4.942 1.00 10.00 H new ATOM 0 HD11 ILE B 200 0.685 -2.187 -7.880 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.454 -3.533 -8.123 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.016 -3.051 -6.476 1.00 10.00 H new ATOM 1329 N VAL B 201 4.535 -5.493 -7.540 1.00 10.00 N ATOM 1330 CA VAL B 201 5.793 -4.844 -7.174 1.00 10.00 C ATOM 1331 C VAL B 201 5.932 -3.484 -7.879 1.00 10.00 C ATOM 1332 O VAL B 201 5.708 -3.367 -9.087 1.00 10.00 O ATOM 1333 CB VAL B 201 7.018 -5.753 -7.448 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.280 -5.920 -8.938 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.245 -5.212 -6.733 1.00 10.00 C ATOM 0 H VAL B 201 4.414 -5.649 -8.541 1.00 10.00 H new ATOM 0 HA VAL B 201 5.768 -4.666 -6.099 1.00 10.00 H new ATOM 0 HB VAL B 201 6.793 -6.744 -7.053 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.147 -6.564 -9.085 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.408 -6.371 -9.412 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.473 -4.945 -9.385 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.098 -5.860 -6.934 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.461 -4.206 -7.092 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.057 -5.182 -5.660 1.00 10.00 H new ATOM 1345 N ILE B 202 6.282 -2.456 -7.108 1.00 10.00 N ATOM 1346 CA ILE B 202 6.421 -1.085 -7.616 1.00 10.00 C ATOM 1347 C ILE B 202 7.837 -0.549 -7.388 1.00 10.00 C ATOM 1348 O ILE B 202 8.441 -0.814 -6.349 1.00 10.00 O ATOM 1349 CB ILE B 202 5.373 -0.123 -6.963 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.039 1.033 -6.213 1.00 10.00 C ATOM 1351 CG2 ILE B 202 4.486 -0.873 -5.988 1.00 10.00 C ATOM 1352 CD1 ILE B 202 6.133 2.327 -6.974 1.00 10.00 C ATOM 0 H ILE B 202 6.478 -2.546 -6.111 1.00 10.00 H new ATOM 0 HA ILE B 202 6.232 -1.122 -8.689 1.00 10.00 H new ATOM 0 HB ILE B 202 4.778 0.282 -7.782 1.00 10.00 H new ATOM 0 HG12 ILE B 202 5.485 1.213 -5.291 1.00 10.00 H new ATOM 0 HG13 ILE B 202 7.045 0.726 -5.926 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.766 -0.184 -5.547 1.00 10.00 H new ATOM 0 HG22 ILE B 202 3.954 -1.665 -6.515 1.00 10.00 H new ATOM 0 HG23 ILE B 202 5.099 -1.310 -5.200 1.00 10.00 H new ATOM 0 HD11 ILE B 202 6.620 3.079 -6.354 1.00 10.00 H new ATOM 0 HD12 ILE B 202 6.715 2.173 -7.883 1.00 10.00 H new ATOM 0 HD13 ILE B 202 5.132 2.667 -7.238 1.00 10.00 H new