USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 706 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 70 HIS : no HD1:sc= -0.0365 X(o=-0.61,f=-0.8) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.575 X(o=-0.61,f=-0.8) USER MOD Set 2.1: A 30 THR OG1 : rot 42:sc= -1.69! USER MOD Set 2.2: A 33 ASN : amide:sc= -1.1! C(o=-2.8!,f=-6.2!) USER MOD Single : A 10 MET CE :methyl -178:sc= 0 (180deg=-0.0094) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.371 K(o=-0.37,f=-2.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -3.45! C(o=-3.5!,f=-4.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0524 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 53 MET CE :methyl 169:sc= -0.209 (180deg=-0.653) USER MOD Single : A 56 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.082) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -3.17! C(o=-3.2!,f=-3.8!) USER MOD Single : A 98 THR OG1 : rot 119:sc= 0.0254 USER MOD Single : A 100 HIS :FLIP no HD1:sc= -1.18 F(o=-1.9!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 6 58.948 3.720 -17.894 1.00 0.00 N ATOM 56 CA CYS A 6 59.390 2.807 -16.832 1.00 0.00 C ATOM 57 C CYS A 6 58.217 2.487 -15.904 1.00 0.00 C ATOM 58 O CYS A 6 57.292 1.779 -16.285 1.00 0.00 O ATOM 59 CB CYS A 6 60.521 3.467 -16.036 1.00 0.00 C ATOM 60 SG CYS A 6 60.163 5.233 -15.841 1.00 0.00 S ATOM 0 HA CYS A 6 59.753 1.880 -17.275 1.00 0.00 H new ATOM 0 HB2 CYS A 6 60.618 2.994 -15.059 1.00 0.00 H new ATOM 0 HB3 CYS A 6 61.472 3.331 -16.552 1.00 0.00 H new ATOM 65 N ARG A 7 58.211 3.082 -14.718 1.00 0.00 N ATOM 66 CA ARG A 7 57.065 2.914 -13.823 1.00 0.00 C ATOM 67 C ARG A 7 57.131 3.890 -12.649 1.00 0.00 C ATOM 68 O ARG A 7 56.118 4.494 -12.323 1.00 0.00 O ATOM 69 CB ARG A 7 56.902 1.440 -13.359 1.00 0.00 C ATOM 70 CG ARG A 7 55.525 1.110 -12.669 1.00 0.00 C ATOM 71 CD ARG A 7 54.263 1.819 -13.262 1.00 0.00 C ATOM 72 NE ARG A 7 53.408 0.861 -13.972 1.00 0.00 N ATOM 73 CZ ARG A 7 53.552 0.634 -15.279 1.00 0.00 C ATOM 74 NH1 ARG A 7 54.528 1.194 -15.941 1.00 0.00 N ATOM 75 NH2 ARG A 7 52.714 -0.155 -15.901 1.00 0.00 N1+ ATOM 0 H ARG A 7 58.962 3.670 -14.357 1.00 0.00 H new ATOM 0 HA ARG A 7 56.167 3.157 -14.390 1.00 0.00 H new ATOM 0 HB2 ARG A 7 57.025 0.787 -14.223 1.00 0.00 H new ATOM 0 HB3 ARG A 7 57.707 1.202 -12.663 1.00 0.00 H new ATOM 0 HG2 ARG A 7 55.367 0.033 -12.719 1.00 0.00 H new ATOM 0 HG3 ARG A 7 55.600 1.372 -11.614 1.00 0.00 H new ATOM 0 HD2 ARG A 7 53.697 2.293 -12.460 1.00 0.00 H new ATOM 0 HD3 ARG A 7 54.573 2.611 -13.944 1.00 0.00 H new ATOM 0 HE ARG A 7 52.687 0.357 -13.455 1.00 0.00 H new ATOM 0 HH11 ARG A 7 55.185 1.808 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 7 54.634 1.017 -16.940 1.00 0.00 H new ATOM 0 HH21 ARG A 7 51.951 -0.596 -15.387 1.00 0.00 H new ATOM 0 HH22 ARG A 7 52.823 -0.329 -16.900 1.00 0.00 H new ATOM 89 N PRO A 8 58.277 4.104 -12.031 1.00 0.00 N ATOM 90 CA PRO A 8 58.432 5.083 -10.913 1.00 0.00 C ATOM 91 C PRO A 8 58.805 6.473 -11.472 1.00 0.00 C ATOM 92 O PRO A 8 59.938 6.662 -11.920 1.00 0.00 O ATOM 93 CB PRO A 8 59.607 4.480 -10.082 1.00 0.00 C ATOM 94 CG PRO A 8 60.036 3.243 -10.829 1.00 0.00 C ATOM 95 CD PRO A 8 59.569 3.455 -12.267 1.00 0.00 C ATOM 0 HA PRO A 8 57.525 5.227 -10.325 1.00 0.00 H new ATOM 0 HB2 PRO A 8 60.429 5.190 -9.993 1.00 0.00 H new ATOM 0 HB3 PRO A 8 59.286 4.235 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 8 61.117 3.111 -10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 8 59.587 2.348 -10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 8 60.252 4.085 -12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 8 59.469 2.517 -12.814 1.00 0.00 H new ATOM 103 N PRO A 9 57.909 7.442 -11.485 1.00 0.00 N ATOM 104 CA PRO A 9 58.224 8.786 -12.035 1.00 0.00 C ATOM 105 C PRO A 9 58.824 9.728 -10.994 1.00 0.00 C ATOM 106 O PRO A 9 58.146 10.131 -10.048 1.00 0.00 O ATOM 107 CB PRO A 9 56.861 9.293 -12.515 1.00 0.00 C ATOM 108 CG PRO A 9 55.848 8.640 -11.610 1.00 0.00 C ATOM 109 CD PRO A 9 56.516 7.389 -10.996 1.00 0.00 C ATOM 0 HA PRO A 9 58.978 8.740 -12.821 1.00 0.00 H new ATOM 0 HB2 PRO A 9 56.802 10.380 -12.451 1.00 0.00 H new ATOM 0 HB3 PRO A 9 56.687 9.025 -13.557 1.00 0.00 H new ATOM 0 HG2 PRO A 9 55.532 9.329 -10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 9 54.955 8.362 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 9 56.476 7.411 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 9 56.017 6.474 -11.315 1.00 0.00 H new ATOM 117 N MET A 10 60.074 10.131 -11.213 1.00 0.00 N ATOM 118 CA MET A 10 60.738 11.090 -10.329 1.00 0.00 C ATOM 119 C MET A 10 61.340 12.209 -11.178 1.00 0.00 C ATOM 120 O MET A 10 60.962 13.373 -11.052 1.00 0.00 O ATOM 121 CB MET A 10 61.837 10.387 -9.488 1.00 0.00 C ATOM 122 CG MET A 10 62.289 9.087 -10.171 1.00 0.00 C ATOM 123 SD MET A 10 63.529 8.263 -9.127 1.00 0.00 S ATOM 124 CE MET A 10 62.674 6.683 -8.856 1.00 0.00 C ATOM 0 H MET A 10 60.647 9.810 -11.993 1.00 0.00 H new ATOM 0 HA MET A 10 60.010 11.512 -9.636 1.00 0.00 H new ATOM 0 HB2 MET A 10 62.690 11.054 -9.363 1.00 0.00 H new ATOM 0 HB3 MET A 10 61.455 10.167 -8.491 1.00 0.00 H new ATOM 0 HG2 MET A 10 61.434 8.429 -10.329 1.00 0.00 H new ATOM 0 HG3 MET A 10 62.710 9.305 -11.153 1.00 0.00 H new ATOM 0 HE1 MET A 10 63.274 6.052 -8.200 1.00 0.00 H new ATOM 0 HE2 MET A 10 61.704 6.869 -8.394 1.00 0.00 H new ATOM 0 HE3 MET A 10 62.530 6.179 -9.812 1.00 0.00 H new ATOM 134 N VAL A 11 62.256 11.831 -12.072 1.00 0.00 N ATOM 135 CA VAL A 11 62.896 12.787 -12.977 1.00 0.00 C ATOM 136 C VAL A 11 62.954 12.208 -14.393 1.00 0.00 C ATOM 137 O VAL A 11 63.634 11.213 -14.634 1.00 0.00 O ATOM 138 CB VAL A 11 64.321 13.085 -12.487 1.00 0.00 C ATOM 139 CG1 VAL A 11 64.252 13.958 -11.220 1.00 0.00 C ATOM 140 CG2 VAL A 11 65.077 11.759 -12.185 1.00 0.00 C ATOM 0 H VAL A 11 62.571 10.868 -12.188 1.00 0.00 H new ATOM 0 HA VAL A 11 62.314 13.709 -12.991 1.00 0.00 H new ATOM 0 HB VAL A 11 64.864 13.620 -13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 11 65.262 14.171 -10.870 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.743 14.894 -11.450 1.00 0.00 H new ATOM 0 HG13 VAL A 11 63.703 13.428 -10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 11 66.085 11.986 -11.839 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.544 11.204 -11.413 1.00 0.00 H new ATOM 0 HG23 VAL A 11 65.132 11.157 -13.092 1.00 0.00 H new ATOM 150 N LYS A 12 62.234 12.823 -15.330 1.00 0.00 N ATOM 151 CA LYS A 12 62.215 12.338 -16.720 1.00 0.00 C ATOM 152 C LYS A 12 62.853 13.373 -17.653 1.00 0.00 C ATOM 153 O LYS A 12 62.677 14.577 -17.480 1.00 0.00 O ATOM 154 CB LYS A 12 60.755 12.009 -17.127 1.00 0.00 C ATOM 155 CG LYS A 12 60.162 13.104 -18.023 1.00 0.00 C ATOM 156 CD LYS A 12 58.649 12.900 -18.175 1.00 0.00 C ATOM 157 CE LYS A 12 57.931 13.172 -16.841 1.00 0.00 C ATOM 158 NZ LYS A 12 56.543 13.630 -17.118 1.00 0.00 N1+ ATOM 0 H LYS A 12 61.660 13.649 -15.161 1.00 0.00 H new ATOM 0 HA LYS A 12 62.805 11.425 -16.804 1.00 0.00 H new ATOM 0 HB2 LYS A 12 60.729 11.054 -17.652 1.00 0.00 H new ATOM 0 HB3 LYS A 12 60.143 11.898 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 12 60.363 14.085 -17.593 1.00 0.00 H new ATOM 0 HG3 LYS A 12 60.640 13.082 -19.002 1.00 0.00 H new ATOM 0 HD2 LYS A 12 58.262 13.567 -18.946 1.00 0.00 H new ATOM 0 HD3 LYS A 12 58.445 11.881 -18.503 1.00 0.00 H new ATOM 0 HE2 LYS A 12 57.914 12.268 -16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 12 58.470 13.929 -16.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 56.053 13.815 -16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 56.572 14.502 -17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 56.033 12.893 -17.645 1.00 0.00 H new ATOM 172 N LEU A 13 63.571 12.877 -18.659 1.00 0.00 N ATOM 173 CA LEU A 13 64.225 13.736 -19.654 1.00 0.00 C ATOM 174 C LEU A 13 63.871 13.235 -21.045 1.00 0.00 C ATOM 175 O LEU A 13 63.816 12.027 -21.272 1.00 0.00 O ATOM 176 CB LEU A 13 65.748 13.719 -19.429 1.00 0.00 C ATOM 177 CG LEU A 13 66.527 14.283 -20.641 1.00 0.00 C ATOM 178 CD1 LEU A 13 66.177 15.756 -20.911 1.00 0.00 C ATOM 179 CD2 LEU A 13 68.024 14.185 -20.338 1.00 0.00 C ATOM 0 H LEU A 13 63.717 11.879 -18.810 1.00 0.00 H new ATOM 0 HA LEU A 13 63.879 14.765 -19.553 1.00 0.00 H new ATOM 0 HB2 LEU A 13 65.988 14.304 -18.541 1.00 0.00 H new ATOM 0 HB3 LEU A 13 66.073 12.697 -19.235 1.00 0.00 H new ATOM 0 HG LEU A 13 66.256 13.703 -21.524 1.00 0.00 H new ATOM 0 HD11 LEU A 13 66.745 16.114 -21.770 1.00 0.00 H new ATOM 0 HD12 LEU A 13 65.111 15.844 -21.119 1.00 0.00 H new ATOM 0 HD13 LEU A 13 66.427 16.356 -20.036 1.00 0.00 H new ATOM 0 HD21 LEU A 13 68.592 14.578 -21.181 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.253 14.765 -19.444 1.00 0.00 H new ATOM 0 HD23 LEU A 13 68.294 13.142 -20.173 1.00 0.00 H new ATOM 191 N VAL A 14 63.577 14.161 -21.966 1.00 0.00 N ATOM 192 CA VAL A 14 63.166 13.779 -23.323 1.00 0.00 C ATOM 193 C VAL A 14 64.080 14.406 -24.375 1.00 0.00 C ATOM 194 O VAL A 14 64.567 15.525 -24.204 1.00 0.00 O ATOM 195 CB VAL A 14 61.715 14.232 -23.537 1.00 0.00 C ATOM 196 CG1 VAL A 14 61.247 13.965 -24.992 1.00 0.00 C ATOM 197 CG2 VAL A 14 60.819 13.492 -22.534 1.00 0.00 C ATOM 0 H VAL A 14 63.615 15.167 -21.800 1.00 0.00 H new ATOM 0 HA VAL A 14 63.241 12.697 -23.431 1.00 0.00 H new ATOM 0 HB VAL A 14 61.647 15.307 -23.373 1.00 0.00 H new ATOM 0 HG11 VAL A 14 60.216 14.297 -25.109 1.00 0.00 H new ATOM 0 HG12 VAL A 14 61.886 14.512 -25.686 1.00 0.00 H new ATOM 0 HG13 VAL A 14 61.311 12.898 -25.205 1.00 0.00 H new ATOM 0 HG21 VAL A 14 59.784 13.803 -22.673 1.00 0.00 H new ATOM 0 HG22 VAL A 14 60.900 12.417 -22.697 1.00 0.00 H new ATOM 0 HG23 VAL A 14 61.136 13.730 -21.519 1.00 0.00 H new ATOM 207 N CYS A 15 64.220 13.716 -25.503 1.00 0.00 N ATOM 208 CA CYS A 15 64.978 14.258 -26.625 1.00 0.00 C ATOM 209 C CYS A 15 64.126 15.364 -27.248 1.00 0.00 C ATOM 210 O CYS A 15 62.912 15.199 -27.350 1.00 0.00 O ATOM 211 CB CYS A 15 65.263 13.155 -27.649 1.00 0.00 C ATOM 212 SG CYS A 15 66.392 11.934 -26.931 1.00 0.00 S ATOM 0 H CYS A 15 63.823 12.790 -25.664 1.00 0.00 H new ATOM 0 HA CYS A 15 65.938 14.655 -26.295 1.00 0.00 H new ATOM 0 HB2 CYS A 15 64.332 12.673 -27.947 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.702 13.585 -28.549 1.00 0.00 H new ATOM 217 N PRO A 16 64.679 16.500 -27.607 1.00 0.00 N ATOM 218 CA PRO A 16 63.849 17.634 -28.156 1.00 0.00 C ATOM 219 C PRO A 16 63.345 17.421 -29.591 1.00 0.00 C ATOM 220 O PRO A 16 63.549 16.373 -30.191 1.00 0.00 O ATOM 221 CB PRO A 16 64.789 18.829 -28.055 1.00 0.00 C ATOM 222 CG PRO A 16 66.142 18.241 -28.243 1.00 0.00 C ATOM 223 CD PRO A 16 66.130 16.877 -27.544 1.00 0.00 C ATOM 0 HA PRO A 16 62.920 17.751 -27.598 1.00 0.00 H new ATOM 0 HB2 PRO A 16 64.569 19.575 -28.818 1.00 0.00 H new ATOM 0 HB3 PRO A 16 64.701 19.326 -27.089 1.00 0.00 H new ATOM 0 HG2 PRO A 16 66.372 18.131 -29.303 1.00 0.00 H new ATOM 0 HG3 PRO A 16 66.908 18.888 -27.816 1.00 0.00 H new ATOM 0 HD2 PRO A 16 66.762 16.151 -28.057 1.00 0.00 H new ATOM 0 HD3 PRO A 16 66.489 16.943 -26.517 1.00 0.00 H new ATOM 231 N ALA A 17 62.627 18.413 -30.123 1.00 0.00 N ATOM 232 CA ALA A 17 62.085 18.285 -31.473 1.00 0.00 C ATOM 233 C ALA A 17 63.196 17.860 -32.428 1.00 0.00 C ATOM 234 O ALA A 17 63.091 16.828 -33.091 1.00 0.00 O ATOM 235 CB ALA A 17 61.452 19.610 -31.942 1.00 0.00 C ATOM 0 H ALA A 17 62.412 19.292 -29.652 1.00 0.00 H new ATOM 0 HA ALA A 17 61.303 17.526 -31.466 1.00 0.00 H new ATOM 0 HB1 ALA A 17 61.056 19.487 -32.950 1.00 0.00 H new ATOM 0 HB2 ALA A 17 60.643 19.886 -31.266 1.00 0.00 H new ATOM 0 HB3 ALA A 17 62.209 20.395 -31.942 1.00 0.00 H new ATOM 241 N ASP A 18 64.283 18.621 -32.449 1.00 0.00 N ATOM 242 CA ASP A 18 65.416 18.256 -33.279 1.00 0.00 C ATOM 243 C ASP A 18 66.085 17.034 -32.665 1.00 0.00 C ATOM 244 O ASP A 18 66.988 16.432 -33.248 1.00 0.00 O ATOM 245 CB ASP A 18 66.404 19.423 -33.398 1.00 0.00 C ATOM 246 CG ASP A 18 67.196 19.588 -32.104 1.00 0.00 C ATOM 247 OD1 ASP A 18 68.242 18.970 -31.992 1.00 0.00 O ATOM 248 OD2 ASP A 18 66.749 20.334 -31.248 1.00 0.00 O1- ATOM 0 H ASP A 18 64.401 19.479 -31.910 1.00 0.00 H new ATOM 0 HA ASP A 18 65.076 18.020 -34.287 1.00 0.00 H new ATOM 0 HB2 ASP A 18 67.087 19.246 -34.229 1.00 0.00 H new ATOM 0 HB3 ASP A 18 65.864 20.343 -33.620 1.00 0.00 H new ATOM 253 N ASN A 19 65.587 16.673 -31.484 1.00 0.00 N ATOM 254 CA ASN A 19 66.049 15.504 -30.749 1.00 0.00 C ATOM 255 C ASN A 19 67.508 15.575 -30.342 1.00 0.00 C ATOM 256 O ASN A 19 68.103 14.528 -30.079 1.00 0.00 O ATOM 257 CB ASN A 19 65.798 14.230 -31.566 1.00 0.00 C ATOM 258 CG ASN A 19 64.304 13.919 -31.595 1.00 0.00 C ATOM 259 OD1 ASN A 19 63.707 13.652 -30.552 1.00 0.00 O ATOM 260 ND2 ASN A 19 63.659 13.941 -32.730 1.00 0.00 N ATOM 0 H ASN A 19 64.846 17.189 -31.009 1.00 0.00 H new ATOM 0 HA ASN A 19 65.471 15.481 -29.825 1.00 0.00 H new ATOM 0 HB2 ASN A 19 66.171 14.359 -32.582 1.00 0.00 H new ATOM 0 HB3 ASN A 19 66.344 13.394 -31.130 1.00 0.00 H new ATOM 0 HD21 ASN A 19 62.660 13.737 -32.753 1.00 0.00 H new ATOM 0 HD22 ASN A 19 64.154 14.162 -33.594 1.00 0.00 H new ATOM 267 N LEU A 20 68.083 16.790 -30.192 1.00 0.00 N ATOM 268 CA LEU A 20 69.463 16.876 -29.685 1.00 0.00 C ATOM 269 C LEU A 20 69.696 17.768 -28.457 1.00 0.00 C ATOM 270 O LEU A 20 70.537 17.432 -27.630 1.00 0.00 O ATOM 271 CB LEU A 20 70.446 17.262 -30.793 1.00 0.00 C ATOM 272 CG LEU A 20 70.240 16.387 -32.040 1.00 0.00 C ATOM 273 CD1 LEU A 20 71.006 17.019 -33.213 1.00 0.00 C ATOM 274 CD2 LEU A 20 70.746 14.938 -31.792 1.00 0.00 C ATOM 0 H LEU A 20 67.636 17.682 -30.404 1.00 0.00 H new ATOM 0 HA LEU A 20 69.650 15.861 -29.333 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.311 18.312 -31.054 1.00 0.00 H new ATOM 0 HB3 LEU A 20 71.469 17.152 -30.432 1.00 0.00 H new ATOM 0 HG LEU A 20 69.176 16.333 -32.270 1.00 0.00 H new ATOM 0 HD11 LEU A 20 70.870 16.410 -34.107 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.625 18.024 -33.397 1.00 0.00 H new ATOM 0 HD13 LEU A 20 72.067 17.073 -32.968 1.00 0.00 H new ATOM 0 HD21 LEU A 20 70.589 14.339 -32.689 1.00 0.00 H new ATOM 0 HD22 LEU A 20 71.809 14.960 -31.552 1.00 0.00 H new ATOM 0 HD23 LEU A 20 70.195 14.498 -30.961 1.00 0.00 H new ATOM 286 N ARG A 21 69.106 18.963 -28.409 1.00 0.00 N ATOM 287 CA ARG A 21 69.430 19.922 -27.330 1.00 0.00 C ATOM 288 C ARG A 21 69.374 19.333 -25.907 1.00 0.00 C ATOM 289 O ARG A 21 69.506 20.069 -24.932 1.00 0.00 O ATOM 290 CB ARG A 21 68.557 21.184 -27.424 1.00 0.00 C ATOM 291 CG ARG A 21 68.835 21.870 -28.765 1.00 0.00 C ATOM 292 CD ARG A 21 68.125 23.233 -28.844 1.00 0.00 C ATOM 293 NE ARG A 21 68.980 24.177 -29.553 1.00 0.00 N ATOM 294 CZ ARG A 21 69.999 24.755 -28.919 1.00 0.00 C ATOM 295 NH1 ARG A 21 70.244 24.438 -27.675 1.00 0.00 N ATOM 296 NH2 ARG A 21 70.757 25.623 -29.529 1.00 0.00 N1+ ATOM 0 H ARG A 21 68.416 19.293 -29.084 1.00 0.00 H new ATOM 0 HA ARG A 21 70.474 20.188 -27.499 1.00 0.00 H new ATOM 0 HB2 ARG A 21 67.502 20.921 -27.345 1.00 0.00 H new ATOM 0 HB3 ARG A 21 68.780 21.861 -26.599 1.00 0.00 H new ATOM 0 HG2 ARG A 21 69.909 22.007 -28.892 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.497 21.232 -29.581 1.00 0.00 H new ATOM 0 HD2 ARG A 21 67.170 23.130 -29.360 1.00 0.00 H new ATOM 0 HD3 ARG A 21 67.908 23.602 -27.842 1.00 0.00 H new ATOM 0 HE ARG A 21 68.798 24.395 -30.533 1.00 0.00 H new ATOM 0 HH11 ARG A 21 69.657 23.753 -27.198 1.00 0.00 H new ATOM 0 HH12 ARG A 21 71.022 24.875 -27.181 1.00 0.00 H new ATOM 0 HH21 ARG A 21 70.573 25.866 -30.502 1.00 0.00 H new ATOM 0 HH22 ARG A 21 71.534 26.059 -29.033 1.00 0.00 H new ATOM 310 N ALA A 22 69.256 18.013 -25.787 1.00 0.00 N ATOM 311 CA ALA A 22 69.288 17.364 -24.476 1.00 0.00 C ATOM 312 C ALA A 22 70.736 17.199 -23.995 1.00 0.00 C ATOM 313 O ALA A 22 71.669 17.140 -24.799 1.00 0.00 O ATOM 314 CB ALA A 22 68.600 15.994 -24.540 1.00 0.00 C ATOM 0 H ALA A 22 69.138 17.375 -26.574 1.00 0.00 H new ATOM 0 HA ALA A 22 68.751 17.995 -23.768 1.00 0.00 H new ATOM 0 HB1 ALA A 22 68.632 15.524 -23.557 1.00 0.00 H new ATOM 0 HB2 ALA A 22 67.562 16.122 -24.847 1.00 0.00 H new ATOM 0 HB3 ALA A 22 69.116 15.361 -25.262 1.00 0.00 H new ATOM 320 N GLU A 23 70.911 17.141 -22.668 1.00 0.00 N ATOM 321 CA GLU A 23 72.239 16.997 -22.062 1.00 0.00 C ATOM 322 C GLU A 23 73.064 15.958 -22.820 1.00 0.00 C ATOM 323 O GLU A 23 72.538 15.203 -23.639 1.00 0.00 O ATOM 324 CB GLU A 23 72.093 16.586 -20.570 1.00 0.00 C ATOM 325 CG GLU A 23 72.302 17.794 -19.628 1.00 0.00 C ATOM 326 CD GLU A 23 73.786 17.979 -19.305 1.00 0.00 C ATOM 327 OE1 GLU A 23 74.555 18.178 -20.232 1.00 0.00 O ATOM 328 OE2 GLU A 23 74.131 17.913 -18.136 1.00 0.00 O1- ATOM 0 H GLU A 23 70.147 17.192 -21.994 1.00 0.00 H new ATOM 0 HA GLU A 23 72.758 17.954 -22.119 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.103 16.160 -20.404 1.00 0.00 H new ATOM 0 HB3 GLU A 23 72.819 15.808 -20.333 1.00 0.00 H new ATOM 0 HG2 GLU A 23 71.911 18.698 -20.096 1.00 0.00 H new ATOM 0 HG3 GLU A 23 71.740 17.644 -18.706 1.00 0.00 H new ATOM 335 N GLY A 24 74.368 15.937 -22.547 1.00 0.00 N ATOM 336 CA GLY A 24 75.276 15.002 -23.210 1.00 0.00 C ATOM 337 C GLY A 24 75.504 13.751 -22.366 1.00 0.00 C ATOM 338 O GLY A 24 76.224 13.788 -21.367 1.00 0.00 O ATOM 0 H GLY A 24 74.819 16.555 -21.873 1.00 0.00 H new ATOM 0 HA2 GLY A 24 74.865 14.719 -24.179 1.00 0.00 H new ATOM 0 HA3 GLY A 24 76.230 15.493 -23.400 1.00 0.00 H new ATOM 342 N LEU A 25 74.911 12.636 -22.795 1.00 0.00 N ATOM 343 CA LEU A 25 75.071 11.354 -22.100 1.00 0.00 C ATOM 344 C LEU A 25 75.797 10.366 -23.022 1.00 0.00 C ATOM 345 O LEU A 25 75.178 9.513 -23.661 1.00 0.00 O ATOM 346 CB LEU A 25 73.673 10.817 -21.680 1.00 0.00 C ATOM 347 CG LEU A 25 73.589 10.656 -20.151 1.00 0.00 C ATOM 348 CD1 LEU A 25 72.158 10.258 -19.770 1.00 0.00 C ATOM 349 CD2 LEU A 25 74.595 9.578 -19.667 1.00 0.00 C ATOM 0 H LEU A 25 74.314 12.593 -23.621 1.00 0.00 H new ATOM 0 HA LEU A 25 75.670 11.483 -21.199 1.00 0.00 H new ATOM 0 HB2 LEU A 25 72.897 11.502 -22.022 1.00 0.00 H new ATOM 0 HB3 LEU A 25 73.486 9.858 -22.163 1.00 0.00 H new ATOM 0 HG LEU A 25 73.845 11.600 -19.670 1.00 0.00 H new ATOM 0 HD11 LEU A 25 72.088 10.142 -18.688 1.00 0.00 H new ATOM 0 HD12 LEU A 25 71.465 11.034 -20.097 1.00 0.00 H new ATOM 0 HD13 LEU A 25 71.902 9.315 -20.254 1.00 0.00 H new ATOM 0 HD21 LEU A 25 74.525 9.475 -18.584 1.00 0.00 H new ATOM 0 HD22 LEU A 25 74.360 8.624 -20.138 1.00 0.00 H new ATOM 0 HD23 LEU A 25 75.607 9.877 -19.938 1.00 0.00 H new ATOM 361 N GLU A 26 77.117 10.514 -23.107 1.00 0.00 N ATOM 362 CA GLU A 26 77.922 9.653 -23.969 1.00 0.00 C ATOM 363 C GLU A 26 77.925 8.210 -23.455 1.00 0.00 C ATOM 364 O GLU A 26 77.658 7.274 -24.211 1.00 0.00 O ATOM 365 CB GLU A 26 79.363 10.192 -24.046 1.00 0.00 C ATOM 366 CG GLU A 26 79.746 10.840 -22.710 1.00 0.00 C ATOM 367 CD GLU A 26 81.260 11.001 -22.619 1.00 0.00 C ATOM 368 OE1 GLU A 26 81.944 9.989 -22.625 1.00 0.00 O ATOM 369 OE2 GLU A 26 81.713 12.130 -22.543 1.00 0.00 O1- ATOM 0 H GLU A 26 77.649 11.217 -22.593 1.00 0.00 H new ATOM 0 HA GLU A 26 77.482 9.656 -24.966 1.00 0.00 H new ATOM 0 HB2 GLU A 26 80.053 9.381 -24.278 1.00 0.00 H new ATOM 0 HB3 GLU A 26 79.446 10.921 -24.852 1.00 0.00 H new ATOM 0 HG2 GLU A 26 79.263 11.813 -22.617 1.00 0.00 H new ATOM 0 HG3 GLU A 26 79.388 10.226 -21.884 1.00 0.00 H new ATOM 376 N CYS A 27 78.226 8.038 -22.168 1.00 0.00 N ATOM 377 CA CYS A 27 78.265 6.710 -21.549 1.00 0.00 C ATOM 378 C CYS A 27 77.387 6.689 -20.299 1.00 0.00 C ATOM 379 O CYS A 27 76.922 7.729 -19.835 1.00 0.00 O ATOM 380 CB CYS A 27 79.728 6.339 -21.195 1.00 0.00 C ATOM 381 SG CYS A 27 80.202 4.812 -22.052 1.00 0.00 S ATOM 0 H CYS A 27 78.447 8.803 -21.531 1.00 0.00 H new ATOM 0 HA CYS A 27 77.879 5.973 -22.253 1.00 0.00 H new ATOM 0 HB2 CYS A 27 80.398 7.150 -21.481 1.00 0.00 H new ATOM 0 HB3 CYS A 27 79.829 6.208 -20.118 1.00 0.00 H new ATOM 386 N THR A 28 77.182 5.494 -19.754 1.00 0.00 N ATOM 387 CA THR A 28 76.378 5.325 -18.543 1.00 0.00 C ATOM 388 C THR A 28 77.301 5.023 -17.374 1.00 0.00 C ATOM 389 O THR A 28 78.453 4.632 -17.578 1.00 0.00 O ATOM 390 CB THR A 28 75.382 4.176 -18.748 1.00 0.00 C ATOM 391 OG1 THR A 28 74.876 4.230 -20.075 1.00 0.00 O ATOM 392 CG2 THR A 28 74.222 4.305 -17.759 1.00 0.00 C ATOM 0 H THR A 28 77.561 4.625 -20.131 1.00 0.00 H new ATOM 0 HA THR A 28 75.821 6.238 -18.332 1.00 0.00 H new ATOM 0 HB THR A 28 75.889 3.226 -18.580 1.00 0.00 H new ATOM 0 HG1 THR A 28 74.240 3.497 -20.213 1.00 0.00 H new ATOM 0 HG21 THR A 28 73.520 3.485 -17.912 1.00 0.00 H new ATOM 0 HG22 THR A 28 74.607 4.268 -16.740 1.00 0.00 H new ATOM 0 HG23 THR A 28 73.711 5.254 -17.919 1.00 0.00 H new ATOM 400 N LYS A 29 76.824 5.226 -16.145 1.00 0.00 N ATOM 401 CA LYS A 29 77.659 4.994 -14.966 1.00 0.00 C ATOM 402 C LYS A 29 76.819 4.319 -13.872 1.00 0.00 C ATOM 403 O LYS A 29 76.140 4.985 -13.090 1.00 0.00 O ATOM 404 CB LYS A 29 78.238 6.343 -14.459 1.00 0.00 C ATOM 405 CG LYS A 29 78.232 7.371 -15.607 1.00 0.00 C ATOM 406 CD LYS A 29 78.837 8.699 -15.141 1.00 0.00 C ATOM 407 CE LYS A 29 80.363 8.592 -15.040 1.00 0.00 C ATOM 408 NZ LYS A 29 80.941 9.962 -14.957 1.00 0.00 N1+ ATOM 0 H LYS A 29 75.877 5.546 -15.941 1.00 0.00 H new ATOM 0 HA LYS A 29 78.490 4.338 -15.226 1.00 0.00 H new ATOM 0 HB2 LYS A 29 77.646 6.713 -13.622 1.00 0.00 H new ATOM 0 HB3 LYS A 29 79.254 6.199 -14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 29 78.799 6.983 -16.453 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.211 7.531 -15.954 1.00 0.00 H new ATOM 0 HD2 LYS A 29 78.568 9.492 -15.839 1.00 0.00 H new ATOM 0 HD3 LYS A 29 78.422 8.974 -14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 29 80.642 8.012 -14.161 1.00 0.00 H new ATOM 0 HE3 LYS A 29 80.762 8.067 -15.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 81.977 9.898 -14.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 80.683 10.500 -15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 80.567 10.446 -14.116 1.00 0.00 H new ATOM 422 N THR A 30 76.929 3.000 -13.806 1.00 0.00 N ATOM 423 CA THR A 30 76.235 2.220 -12.773 1.00 0.00 C ATOM 424 C THR A 30 77.164 2.064 -11.568 1.00 0.00 C ATOM 425 O THR A 30 78.187 2.735 -11.478 1.00 0.00 O ATOM 426 CB THR A 30 75.818 0.837 -13.339 1.00 0.00 C ATOM 427 OG1 THR A 30 76.627 0.546 -14.458 1.00 0.00 O ATOM 428 CG2 THR A 30 74.326 0.799 -13.772 1.00 0.00 C ATOM 0 H THR A 30 77.489 2.442 -14.451 1.00 0.00 H new ATOM 0 HA THR A 30 75.328 2.737 -12.460 1.00 0.00 H new ATOM 0 HB THR A 30 75.950 0.098 -12.549 1.00 0.00 H new ATOM 0 HG1 THR A 30 77.554 0.801 -14.267 1.00 0.00 H new ATOM 0 HG21 THR A 30 74.085 -0.190 -14.161 1.00 0.00 H new ATOM 0 HG22 THR A 30 73.692 1.015 -12.912 1.00 0.00 H new ATOM 0 HG23 THR A 30 74.153 1.545 -14.547 1.00 0.00 H new ATOM 436 N CYS A 31 76.788 1.191 -10.639 1.00 0.00 N ATOM 437 CA CYS A 31 77.585 0.976 -9.434 1.00 0.00 C ATOM 438 C CYS A 31 78.708 -0.035 -9.675 1.00 0.00 C ATOM 439 O CYS A 31 79.813 0.145 -9.164 1.00 0.00 O ATOM 440 CB CYS A 31 76.670 0.478 -8.313 1.00 0.00 C ATOM 441 SG CYS A 31 77.500 0.655 -6.714 1.00 0.00 S ATOM 0 H CYS A 31 75.942 0.624 -10.695 1.00 0.00 H new ATOM 0 HA CYS A 31 78.047 1.922 -9.152 1.00 0.00 H new ATOM 0 HB2 CYS A 31 75.739 1.044 -8.314 1.00 0.00 H new ATOM 0 HB3 CYS A 31 76.408 -0.566 -8.483 1.00 0.00 H new ATOM 446 N GLN A 32 78.414 -1.148 -10.353 1.00 0.00 N ATOM 447 CA GLN A 32 79.429 -2.207 -10.504 1.00 0.00 C ATOM 448 C GLN A 32 80.470 -1.872 -11.580 1.00 0.00 C ATOM 449 O GLN A 32 81.671 -1.890 -11.316 1.00 0.00 O ATOM 450 CB GLN A 32 78.752 -3.549 -10.848 1.00 0.00 C ATOM 451 CG GLN A 32 78.330 -4.280 -9.570 1.00 0.00 C ATOM 452 CD GLN A 32 79.538 -4.976 -8.951 1.00 0.00 C ATOM 453 OE1 GLN A 32 79.738 -4.915 -7.739 1.00 0.00 O ATOM 454 NE2 GLN A 32 80.363 -5.634 -9.720 1.00 0.00 N ATOM 0 H GLN A 32 77.515 -1.341 -10.794 1.00 0.00 H new ATOM 0 HA GLN A 32 79.950 -2.284 -9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 32 77.880 -3.372 -11.478 1.00 0.00 H new ATOM 0 HB3 GLN A 32 79.438 -4.173 -11.421 1.00 0.00 H new ATOM 0 HG2 GLN A 32 77.903 -3.572 -8.859 1.00 0.00 H new ATOM 0 HG3 GLN A 32 77.554 -5.011 -9.797 1.00 0.00 H new ATOM 0 HE21 GLN A 32 80.195 -5.683 -10.725 1.00 0.00 H new ATOM 0 HE22 GLN A 32 81.176 -6.099 -9.316 1.00 0.00 H new ATOM 463 N ASN A 33 80.006 -1.624 -12.797 1.00 0.00 N ATOM 464 CA ASN A 33 80.922 -1.351 -13.904 1.00 0.00 C ATOM 465 C ASN A 33 81.528 0.039 -13.782 1.00 0.00 C ATOM 466 O ASN A 33 82.036 0.594 -14.757 1.00 0.00 O ATOM 467 CB ASN A 33 80.198 -1.496 -15.248 1.00 0.00 C ATOM 468 CG ASN A 33 78.972 -0.600 -15.298 1.00 0.00 C ATOM 469 OD1 ASN A 33 79.049 0.581 -14.957 1.00 0.00 O ATOM 470 ND2 ASN A 33 77.840 -1.092 -15.715 1.00 0.00 N ATOM 0 H ASN A 33 79.017 -1.605 -13.044 1.00 0.00 H new ATOM 0 HA ASN A 33 81.730 -2.081 -13.859 1.00 0.00 H new ATOM 0 HB2 ASN A 33 80.876 -1.238 -16.061 1.00 0.00 H new ATOM 0 HB3 ASN A 33 79.902 -2.534 -15.397 1.00 0.00 H new ATOM 0 HD21 ASN A 33 77.012 -0.498 -15.760 1.00 0.00 H new ATOM 0 HD22 ASN A 33 77.782 -2.071 -15.996 1.00 0.00 H new ATOM 477 N TYR A 34 81.470 0.603 -12.578 1.00 0.00 N ATOM 478 CA TYR A 34 82.012 1.933 -12.337 1.00 0.00 C ATOM 479 C TYR A 34 83.435 2.034 -12.893 1.00 0.00 C ATOM 480 O TYR A 34 83.822 3.068 -13.437 1.00 0.00 O ATOM 481 CB TYR A 34 82.010 2.225 -10.816 1.00 0.00 C ATOM 482 CG TYR A 34 81.710 3.692 -10.544 1.00 0.00 C ATOM 483 CD1 TYR A 34 82.672 4.677 -10.805 1.00 0.00 C ATOM 484 CD2 TYR A 34 80.461 4.061 -10.031 1.00 0.00 C ATOM 485 CE1 TYR A 34 82.380 6.026 -10.551 1.00 0.00 C ATOM 486 CE2 TYR A 34 80.170 5.403 -9.778 1.00 0.00 C ATOM 487 CZ TYR A 34 81.127 6.387 -10.037 1.00 0.00 C ATOM 488 OH TYR A 34 80.835 7.714 -9.786 1.00 0.00 O ATOM 0 H TYR A 34 81.054 0.160 -11.759 1.00 0.00 H new ATOM 0 HA TYR A 34 81.390 2.670 -12.844 1.00 0.00 H new ATOM 0 HB2 TYR A 34 81.265 1.600 -10.323 1.00 0.00 H new ATOM 0 HB3 TYR A 34 82.979 1.963 -10.390 1.00 0.00 H new ATOM 0 HD1 TYR A 34 83.637 4.398 -11.201 1.00 0.00 H new ATOM 0 HD2 TYR A 34 79.718 3.303 -9.830 1.00 0.00 H new ATOM 0 HE1 TYR A 34 83.121 6.786 -10.752 1.00 0.00 H new ATOM 0 HE2 TYR A 34 79.204 5.680 -9.382 1.00 0.00 H new ATOM 0 HH TYR A 34 79.924 7.787 -9.433 1.00 0.00 H new ATOM 498 N ASP A 35 84.227 0.966 -12.729 1.00 0.00 N ATOM 499 CA ASP A 35 85.616 0.964 -13.194 1.00 0.00 C ATOM 500 C ASP A 35 85.764 0.323 -14.574 1.00 0.00 C ATOM 501 O ASP A 35 86.882 0.172 -15.066 1.00 0.00 O ATOM 502 CB ASP A 35 86.482 0.184 -12.202 1.00 0.00 C ATOM 503 CG ASP A 35 86.586 0.947 -10.888 1.00 0.00 C ATOM 504 OD1 ASP A 35 86.303 2.134 -10.893 1.00 0.00 O ATOM 505 OD2 ASP A 35 86.948 0.336 -9.897 1.00 0.00 O1- ATOM 0 H ASP A 35 83.930 0.099 -12.281 1.00 0.00 H new ATOM 0 HA ASP A 35 85.936 2.004 -13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 35 86.050 -0.801 -12.026 1.00 0.00 H new ATOM 0 HB3 ASP A 35 87.476 0.027 -12.620 1.00 0.00 H new ATOM 510 N LEU A 36 84.647 -0.054 -15.208 1.00 0.00 N ATOM 511 CA LEU A 36 84.696 -0.675 -16.540 1.00 0.00 C ATOM 512 C LEU A 36 84.054 0.253 -17.572 1.00 0.00 C ATOM 513 O LEU A 36 83.167 1.038 -17.241 1.00 0.00 O ATOM 514 CB LEU A 36 83.958 -2.023 -16.538 1.00 0.00 C ATOM 515 CG LEU A 36 84.827 -3.117 -15.882 1.00 0.00 C ATOM 516 CD1 LEU A 36 84.979 -2.844 -14.369 1.00 0.00 C ATOM 517 CD2 LEU A 36 84.185 -4.509 -16.124 1.00 0.00 C ATOM 0 H LEU A 36 83.708 0.058 -14.827 1.00 0.00 H new ATOM 0 HA LEU A 36 85.741 -0.845 -16.800 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.016 -1.927 -15.998 1.00 0.00 H new ATOM 0 HB3 LEU A 36 83.712 -2.311 -17.560 1.00 0.00 H new ATOM 0 HG LEU A 36 85.820 -3.104 -16.332 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.594 -3.623 -13.919 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.455 -1.875 -14.220 1.00 0.00 H new ATOM 0 HD13 LEU A 36 83.995 -2.841 -13.899 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.801 -5.279 -15.660 1.00 0.00 H new ATOM 0 HD22 LEU A 36 83.187 -4.530 -15.687 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.116 -4.697 -17.196 1.00 0.00 H new ATOM 529 N GLU A 37 84.518 0.173 -18.817 1.00 0.00 N ATOM 530 CA GLU A 37 83.980 1.030 -19.870 1.00 0.00 C ATOM 531 C GLU A 37 82.555 0.630 -20.235 1.00 0.00 C ATOM 532 O GLU A 37 82.131 -0.497 -19.989 1.00 0.00 O ATOM 533 CB GLU A 37 84.852 0.964 -21.126 1.00 0.00 C ATOM 534 CG GLU A 37 86.279 1.414 -20.794 1.00 0.00 C ATOM 535 CD GLU A 37 87.008 1.835 -22.068 1.00 0.00 C ATOM 536 OE1 GLU A 37 87.114 1.017 -22.967 1.00 0.00 O ATOM 537 OE2 GLU A 37 87.437 2.976 -22.129 1.00 0.00 O1- ATOM 0 H GLU A 37 85.254 -0.466 -19.118 1.00 0.00 H new ATOM 0 HA GLU A 37 83.976 2.049 -19.483 1.00 0.00 H new ATOM 0 HB2 GLU A 37 84.864 -0.053 -21.518 1.00 0.00 H new ATOM 0 HB3 GLU A 37 84.432 1.601 -21.905 1.00 0.00 H new ATOM 0 HG2 GLU A 37 86.251 2.246 -20.090 1.00 0.00 H new ATOM 0 HG3 GLU A 37 86.820 0.603 -20.308 1.00 0.00 H new ATOM 544 N CYS A 38 81.824 1.575 -20.837 1.00 0.00 N ATOM 545 CA CYS A 38 80.440 1.339 -21.257 1.00 0.00 C ATOM 546 C CYS A 38 80.307 1.529 -22.774 1.00 0.00 C ATOM 547 O CYS A 38 80.999 2.354 -23.370 1.00 0.00 O ATOM 548 CB CYS A 38 79.497 2.303 -20.482 1.00 0.00 C ATOM 549 SG CYS A 38 78.720 3.514 -21.597 1.00 0.00 S ATOM 0 H CYS A 38 82.170 2.512 -21.044 1.00 0.00 H new ATOM 0 HA CYS A 38 80.155 0.313 -21.026 1.00 0.00 H new ATOM 0 HB2 CYS A 38 78.724 1.727 -19.973 1.00 0.00 H new ATOM 0 HB3 CYS A 38 80.063 2.827 -19.712 1.00 0.00 H new ATOM 554 N MET A 39 79.394 0.772 -23.376 1.00 0.00 N ATOM 555 CA MET A 39 79.142 0.864 -24.815 1.00 0.00 C ATOM 556 C MET A 39 78.661 2.294 -25.167 1.00 0.00 C ATOM 557 O MET A 39 79.126 3.268 -24.575 1.00 0.00 O ATOM 558 CB MET A 39 78.104 -0.243 -25.202 1.00 0.00 C ATOM 559 CG MET A 39 78.729 -1.361 -26.096 1.00 0.00 C ATOM 560 SD MET A 39 78.090 -1.234 -27.799 1.00 0.00 S ATOM 561 CE MET A 39 79.447 -0.317 -28.588 1.00 0.00 C ATOM 0 H MET A 39 78.815 0.087 -22.891 1.00 0.00 H new ATOM 0 HA MET A 39 80.050 0.690 -25.392 1.00 0.00 H new ATOM 0 HB2 MET A 39 77.700 -0.691 -24.294 1.00 0.00 H new ATOM 0 HB3 MET A 39 77.268 0.216 -25.730 1.00 0.00 H new ATOM 0 HG2 MET A 39 79.815 -1.270 -26.099 1.00 0.00 H new ATOM 0 HG3 MET A 39 78.493 -2.342 -25.683 1.00 0.00 H new ATOM 0 HE1 MET A 39 79.213 -0.155 -29.640 1.00 0.00 H new ATOM 0 HE2 MET A 39 79.573 0.645 -28.092 1.00 0.00 H new ATOM 0 HE3 MET A 39 80.370 -0.891 -28.506 1.00 0.00 H new ATOM 571 N SER A 40 77.732 2.415 -26.119 1.00 0.00 N ATOM 572 CA SER A 40 77.202 3.719 -26.522 1.00 0.00 C ATOM 573 C SER A 40 75.744 3.560 -26.940 1.00 0.00 C ATOM 574 O SER A 40 75.289 2.445 -27.183 1.00 0.00 O ATOM 575 CB SER A 40 78.011 4.278 -27.693 1.00 0.00 C ATOM 576 OG SER A 40 79.397 4.212 -27.385 1.00 0.00 O ATOM 0 H SER A 40 77.332 1.625 -26.625 1.00 0.00 H new ATOM 0 HA SER A 40 77.273 4.410 -25.682 1.00 0.00 H new ATOM 0 HB2 SER A 40 77.801 3.709 -28.599 1.00 0.00 H new ATOM 0 HB3 SER A 40 77.720 5.310 -27.890 1.00 0.00 H new ATOM 0 HG SER A 40 79.916 4.569 -28.136 1.00 0.00 H new ATOM 582 N MET A 41 75.007 4.666 -27.008 1.00 0.00 N ATOM 583 CA MET A 41 73.589 4.604 -27.374 1.00 0.00 C ATOM 584 C MET A 41 73.140 5.931 -27.994 1.00 0.00 C ATOM 585 O MET A 41 72.681 5.975 -29.137 1.00 0.00 O ATOM 586 CB MET A 41 72.749 4.311 -26.101 1.00 0.00 C ATOM 587 CG MET A 41 72.417 2.798 -25.943 1.00 0.00 C ATOM 588 SD MET A 41 72.664 2.317 -24.199 1.00 0.00 S ATOM 589 CE MET A 41 71.403 1.017 -24.013 1.00 0.00 C ATOM 0 H MET A 41 75.359 5.604 -26.818 1.00 0.00 H new ATOM 0 HA MET A 41 73.442 3.810 -28.107 1.00 0.00 H new ATOM 0 HB2 MET A 41 73.295 4.654 -25.222 1.00 0.00 H new ATOM 0 HB3 MET A 41 71.821 4.881 -26.142 1.00 0.00 H new ATOM 0 HG2 MET A 41 71.388 2.604 -26.245 1.00 0.00 H new ATOM 0 HG3 MET A 41 73.058 2.202 -26.593 1.00 0.00 H new ATOM 0 HE1 MET A 41 71.432 0.625 -22.996 1.00 0.00 H new ATOM 0 HE2 MET A 41 70.417 1.436 -24.213 1.00 0.00 H new ATOM 0 HE3 MET A 41 71.605 0.211 -24.719 1.00 0.00 H new ATOM 599 N GLY A 42 73.255 7.005 -27.214 1.00 0.00 N ATOM 600 CA GLY A 42 72.838 8.336 -27.656 1.00 0.00 C ATOM 601 C GLY A 42 71.626 8.797 -26.854 1.00 0.00 C ATOM 602 O GLY A 42 71.451 8.403 -25.701 1.00 0.00 O ATOM 0 H GLY A 42 73.635 6.979 -26.268 1.00 0.00 H new ATOM 0 HA2 GLY A 42 73.658 9.043 -27.530 1.00 0.00 H new ATOM 0 HA3 GLY A 42 72.595 8.316 -28.718 1.00 0.00 H new ATOM 606 N CYS A 43 70.801 9.649 -27.458 1.00 0.00 N ATOM 607 CA CYS A 43 69.618 10.175 -26.775 1.00 0.00 C ATOM 608 C CYS A 43 68.389 9.304 -27.064 1.00 0.00 C ATOM 609 O CYS A 43 67.947 9.184 -28.210 1.00 0.00 O ATOM 610 CB CYS A 43 69.399 11.654 -27.204 1.00 0.00 C ATOM 611 SG CYS A 43 67.923 11.850 -28.247 1.00 0.00 S ATOM 0 H CYS A 43 70.927 9.989 -28.411 1.00 0.00 H new ATOM 0 HA CYS A 43 69.773 10.148 -25.696 1.00 0.00 H new ATOM 0 HB2 CYS A 43 69.301 12.278 -26.316 1.00 0.00 H new ATOM 0 HB3 CYS A 43 70.276 12.008 -27.747 1.00 0.00 H new ATOM 616 N VAL A 44 67.838 8.698 -26.009 1.00 0.00 N ATOM 617 CA VAL A 44 66.648 7.849 -26.139 1.00 0.00 C ATOM 618 C VAL A 44 65.553 8.350 -25.201 1.00 0.00 C ATOM 619 O VAL A 44 65.646 8.213 -23.981 1.00 0.00 O ATOM 620 CB VAL A 44 67.001 6.390 -25.796 1.00 0.00 C ATOM 621 CG1 VAL A 44 67.612 6.285 -24.368 1.00 0.00 C ATOM 622 CG2 VAL A 44 65.728 5.526 -25.893 1.00 0.00 C ATOM 0 H VAL A 44 68.195 8.778 -25.057 1.00 0.00 H new ATOM 0 HA VAL A 44 66.290 7.894 -27.167 1.00 0.00 H new ATOM 0 HB VAL A 44 67.746 6.031 -26.506 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.852 5.244 -24.151 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.520 6.886 -24.316 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.892 6.651 -23.636 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.971 4.491 -25.651 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.982 5.897 -25.190 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.329 5.578 -26.906 1.00 0.00 H new ATOM 632 N SER A 45 64.524 8.949 -25.795 1.00 0.00 N ATOM 633 CA SER A 45 63.413 9.492 -25.019 1.00 0.00 C ATOM 634 C SER A 45 62.933 8.451 -24.015 1.00 0.00 C ATOM 635 O SER A 45 62.912 7.255 -24.311 1.00 0.00 O ATOM 636 CB SER A 45 62.264 9.896 -25.951 1.00 0.00 C ATOM 637 OG SER A 45 62.544 11.171 -26.512 1.00 0.00 O ATOM 0 H SER A 45 64.436 9.070 -26.804 1.00 0.00 H new ATOM 0 HA SER A 45 63.752 10.378 -24.482 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.144 9.156 -26.742 1.00 0.00 H new ATOM 0 HB3 SER A 45 61.325 9.927 -25.398 1.00 0.00 H new ATOM 0 HG SER A 45 61.813 11.433 -27.110 1.00 0.00 H new ATOM 643 N GLY A 46 62.581 8.904 -22.815 1.00 0.00 N ATOM 644 CA GLY A 46 62.142 7.991 -21.765 1.00 0.00 C ATOM 645 C GLY A 46 62.409 8.586 -20.390 1.00 0.00 C ATOM 646 O GLY A 46 62.793 9.752 -20.270 1.00 0.00 O ATOM 0 H GLY A 46 62.591 9.888 -22.547 1.00 0.00 H new ATOM 0 HA2 GLY A 46 61.078 7.784 -21.877 1.00 0.00 H new ATOM 0 HA3 GLY A 46 62.663 7.039 -21.862 1.00 0.00 H new ATOM 650 N CYS A 47 62.206 7.781 -19.351 1.00 0.00 N ATOM 651 CA CYS A 47 62.428 8.226 -17.977 1.00 0.00 C ATOM 652 C CYS A 47 63.730 7.639 -17.431 1.00 0.00 C ATOM 653 O CYS A 47 64.008 6.453 -17.611 1.00 0.00 O ATOM 654 CB CYS A 47 61.267 7.758 -17.095 1.00 0.00 C ATOM 655 SG CYS A 47 60.813 6.070 -17.562 1.00 0.00 S ATOM 0 H CYS A 47 61.888 6.815 -19.434 1.00 0.00 H new ATOM 0 HA CYS A 47 62.492 9.314 -17.969 1.00 0.00 H new ATOM 0 HB2 CYS A 47 61.555 7.793 -16.044 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.412 8.424 -17.214 1.00 0.00 H new ATOM 660 N LEU A 48 64.497 8.461 -16.719 1.00 0.00 N ATOM 661 CA LEU A 48 65.736 8.000 -16.095 1.00 0.00 C ATOM 662 C LEU A 48 66.032 8.834 -14.849 1.00 0.00 C ATOM 663 O LEU A 48 65.683 10.013 -14.783 1.00 0.00 O ATOM 664 CB LEU A 48 66.915 8.084 -17.081 1.00 0.00 C ATOM 665 CG LEU A 48 66.860 9.412 -17.896 1.00 0.00 C ATOM 666 CD1 LEU A 48 68.238 10.085 -17.899 1.00 0.00 C ATOM 667 CD2 LEU A 48 66.453 9.129 -19.351 1.00 0.00 C ATOM 0 H LEU A 48 64.284 9.446 -16.560 1.00 0.00 H new ATOM 0 HA LEU A 48 65.608 6.956 -15.808 1.00 0.00 H new ATOM 0 HB2 LEU A 48 67.857 8.026 -16.535 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.888 7.233 -17.761 1.00 0.00 H new ATOM 0 HG LEU A 48 66.125 10.068 -17.428 1.00 0.00 H new ATOM 0 HD11 LEU A 48 68.189 11.012 -18.471 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.537 10.306 -16.874 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.969 9.416 -18.354 1.00 0.00 H new ATOM 0 HD21 LEU A 48 66.419 10.065 -19.908 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.182 8.461 -19.809 1.00 0.00 H new ATOM 0 HD23 LEU A 48 65.469 8.660 -19.369 1.00 0.00 H new ATOM 679 N CYS A 49 66.651 8.205 -13.856 1.00 0.00 N ATOM 680 CA CYS A 49 66.964 8.880 -12.595 1.00 0.00 C ATOM 681 C CYS A 49 67.917 10.063 -12.832 1.00 0.00 C ATOM 682 O CYS A 49 68.319 10.312 -13.968 1.00 0.00 O ATOM 683 CB CYS A 49 67.587 7.858 -11.627 1.00 0.00 C ATOM 684 SG CYS A 49 66.511 7.592 -10.192 1.00 0.00 S ATOM 0 H CYS A 49 66.947 7.230 -13.897 1.00 0.00 H new ATOM 0 HA CYS A 49 66.049 9.281 -12.159 1.00 0.00 H new ATOM 0 HB2 CYS A 49 67.751 6.913 -12.145 1.00 0.00 H new ATOM 0 HB3 CYS A 49 68.563 8.213 -11.295 1.00 0.00 H new ATOM 689 N PRO A 50 68.280 10.804 -11.795 1.00 0.00 N ATOM 690 CA PRO A 50 69.192 11.978 -11.945 1.00 0.00 C ATOM 691 C PRO A 50 70.629 11.536 -12.243 1.00 0.00 C ATOM 692 O PRO A 50 71.037 10.447 -11.843 1.00 0.00 O ATOM 693 CB PRO A 50 69.102 12.712 -10.579 1.00 0.00 C ATOM 694 CG PRO A 50 67.990 12.040 -9.822 1.00 0.00 C ATOM 695 CD PRO A 50 67.886 10.625 -10.386 1.00 0.00 C ATOM 0 HA PRO A 50 68.906 12.618 -12.780 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.044 12.641 -10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 50 68.894 13.773 -10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.204 12.018 -8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 50 67.051 12.580 -9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 50 68.548 9.933 -9.866 1.00 0.00 H new ATOM 0 HD3 PRO A 50 66.875 10.227 -10.296 1.00 0.00 H new ATOM 703 N PRO A 51 71.403 12.350 -12.919 1.00 0.00 N ATOM 704 CA PRO A 51 72.816 12.001 -13.242 1.00 0.00 C ATOM 705 C PRO A 51 73.666 11.888 -11.970 1.00 0.00 C ATOM 706 O PRO A 51 73.587 12.738 -11.083 1.00 0.00 O ATOM 707 CB PRO A 51 73.283 13.153 -14.155 1.00 0.00 C ATOM 708 CG PRO A 51 72.360 14.296 -13.858 1.00 0.00 C ATOM 709 CD PRO A 51 71.025 13.674 -13.443 1.00 0.00 C ATOM 0 HA PRO A 51 72.913 11.030 -13.728 1.00 0.00 H new ATOM 0 HB2 PRO A 51 74.319 13.421 -13.950 1.00 0.00 H new ATOM 0 HB3 PRO A 51 73.230 12.868 -15.206 1.00 0.00 H new ATOM 0 HG2 PRO A 51 72.761 14.923 -13.061 1.00 0.00 H new ATOM 0 HG3 PRO A 51 72.236 14.933 -14.733 1.00 0.00 H new ATOM 0 HD2 PRO A 51 70.522 14.275 -12.686 1.00 0.00 H new ATOM 0 HD3 PRO A 51 70.343 13.590 -14.289 1.00 0.00 H new ATOM 717 N GLY A 52 74.472 10.826 -11.891 1.00 0.00 N ATOM 718 CA GLY A 52 75.323 10.585 -10.719 1.00 0.00 C ATOM 719 C GLY A 52 74.644 9.618 -9.741 1.00 0.00 C ATOM 720 O GLY A 52 75.250 9.181 -8.764 1.00 0.00 O ATOM 0 H GLY A 52 74.554 10.120 -12.622 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.281 10.174 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 52 75.533 11.529 -10.217 1.00 0.00 H new ATOM 724 N MET A 53 73.397 9.259 -10.045 1.00 0.00 N ATOM 725 CA MET A 53 72.648 8.295 -9.214 1.00 0.00 C ATOM 726 C MET A 53 72.551 6.945 -9.930 1.00 0.00 C ATOM 727 O MET A 53 72.922 6.819 -11.096 1.00 0.00 O ATOM 728 CB MET A 53 71.223 8.827 -8.893 1.00 0.00 C ATOM 729 CG MET A 53 71.172 9.514 -7.509 1.00 0.00 C ATOM 730 SD MET A 53 69.461 9.487 -6.888 1.00 0.00 S ATOM 731 CE MET A 53 69.504 7.928 -5.947 1.00 0.00 C ATOM 0 H MET A 53 72.881 9.613 -10.851 1.00 0.00 H new ATOM 0 HA MET A 53 73.187 8.166 -8.275 1.00 0.00 H new ATOM 0 HB2 MET A 53 70.916 9.535 -9.663 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.512 8.002 -8.917 1.00 0.00 H new ATOM 0 HG2 MET A 53 71.833 9.001 -6.811 1.00 0.00 H new ATOM 0 HG3 MET A 53 71.527 10.542 -7.587 1.00 0.00 H new ATOM 0 HE1 MET A 53 68.604 7.846 -5.338 1.00 0.00 H new ATOM 0 HE2 MET A 53 69.553 7.087 -6.639 1.00 0.00 H new ATOM 0 HE3 MET A 53 70.381 7.917 -5.300 1.00 0.00 H new ATOM 741 N VAL A 54 72.067 5.928 -9.205 1.00 0.00 N ATOM 742 CA VAL A 54 71.945 4.579 -9.768 1.00 0.00 C ATOM 743 C VAL A 54 70.611 3.947 -9.364 1.00 0.00 C ATOM 744 O VAL A 54 70.071 4.225 -8.293 1.00 0.00 O ATOM 745 CB VAL A 54 73.111 3.708 -9.264 1.00 0.00 C ATOM 746 CG1 VAL A 54 73.143 3.717 -7.721 1.00 0.00 C ATOM 747 CG2 VAL A 54 72.984 2.253 -9.794 1.00 0.00 C ATOM 0 H VAL A 54 71.757 6.013 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 54 71.980 4.645 -10.855 1.00 0.00 H new ATOM 0 HB VAL A 54 74.045 4.125 -9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 54 73.970 3.099 -7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 54 73.278 4.739 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 54 72.204 3.319 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 54 73.819 1.657 -9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 54 72.047 1.819 -9.446 1.00 0.00 H new ATOM 0 HG23 VAL A 54 72.998 2.260 -10.884 1.00 0.00 H new ATOM 757 N ARG A 55 70.104 3.080 -10.231 1.00 0.00 N ATOM 758 CA ARG A 55 68.852 2.371 -9.977 1.00 0.00 C ATOM 759 C ARG A 55 69.159 0.937 -9.550 1.00 0.00 C ATOM 760 O ARG A 55 69.707 0.160 -10.332 1.00 0.00 O ATOM 761 CB ARG A 55 68.032 2.319 -11.272 1.00 0.00 C ATOM 762 CG ARG A 55 67.374 3.700 -11.536 1.00 0.00 C ATOM 763 CD ARG A 55 65.960 3.746 -10.935 1.00 0.00 C ATOM 764 NE ARG A 55 65.153 2.656 -11.488 1.00 0.00 N ATOM 765 CZ ARG A 55 63.853 2.793 -11.735 1.00 0.00 C ATOM 766 NH1 ARG A 55 63.247 3.923 -11.485 1.00 0.00 N ATOM 767 NH2 ARG A 55 63.182 1.788 -12.227 1.00 0.00 N1+ ATOM 0 H ARG A 55 70.542 2.848 -11.122 1.00 0.00 H new ATOM 0 HA ARG A 55 68.297 2.888 -9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 55 68.675 2.047 -12.109 1.00 0.00 H new ATOM 0 HB3 ARG A 55 67.264 1.549 -11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 55 67.986 4.490 -11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 55 67.326 3.888 -12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 55 66.013 3.658 -9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 55 65.492 4.706 -11.155 1.00 0.00 H new ATOM 0 HE ARG A 55 65.602 1.763 -11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 55 63.771 4.708 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 55 62.250 4.020 -11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 55 63.654 0.905 -12.420 1.00 0.00 H new ATOM 0 HH22 ARG A 55 62.185 1.886 -12.419 1.00 0.00 H new ATOM 781 N HIS A 56 68.772 0.571 -8.331 1.00 0.00 N ATOM 782 CA HIS A 56 68.978 -0.797 -7.841 1.00 0.00 C ATOM 783 C HIS A 56 67.666 -1.325 -7.262 1.00 0.00 C ATOM 784 O HIS A 56 67.163 -0.786 -6.288 1.00 0.00 O ATOM 785 CB HIS A 56 70.101 -0.813 -6.769 1.00 0.00 C ATOM 786 CG HIS A 56 71.300 -1.611 -7.241 1.00 0.00 C ATOM 787 ND1 HIS A 56 72.101 -2.323 -6.361 1.00 0.00 N ATOM 788 CD2 HIS A 56 71.839 -1.825 -8.489 1.00 0.00 C ATOM 789 CE1 HIS A 56 73.066 -2.925 -7.080 1.00 0.00 C ATOM 790 NE2 HIS A 56 72.953 -2.655 -8.382 1.00 0.00 N ATOM 0 H HIS A 56 68.317 1.195 -7.665 1.00 0.00 H new ATOM 0 HA HIS A 56 69.286 -1.442 -8.664 1.00 0.00 H new ATOM 0 HB2 HIS A 56 70.407 0.209 -6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 56 69.717 -1.242 -5.843 1.00 0.00 H new ATOM 0 HD2 HIS A 56 71.457 -1.412 -9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 56 73.838 -3.550 -6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 56 73.554 -2.986 -9.137 1.00 0.00 H new ATOM 798 N GLU A 57 67.176 -2.404 -7.874 1.00 0.00 N ATOM 799 CA GLU A 57 65.943 -3.098 -7.462 1.00 0.00 C ATOM 800 C GLU A 57 64.658 -2.313 -7.802 1.00 0.00 C ATOM 801 O GLU A 57 63.693 -2.316 -7.035 1.00 0.00 O ATOM 802 CB GLU A 57 66.004 -3.502 -5.962 1.00 0.00 C ATOM 803 CG GLU A 57 65.514 -2.374 -5.005 1.00 0.00 C ATOM 804 CD GLU A 57 64.242 -2.787 -4.261 1.00 0.00 C ATOM 805 OE1 GLU A 57 64.145 -3.942 -3.885 1.00 0.00 O ATOM 806 OE2 GLU A 57 63.386 -1.936 -4.082 1.00 0.00 O1- ATOM 0 H GLU A 57 67.627 -2.831 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 57 65.888 -4.012 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 57 65.395 -4.392 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 57 67.029 -3.769 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 57 66.298 -2.139 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 57 65.324 -1.466 -5.577 1.00 0.00 H new ATOM 813 N ASN A 58 64.646 -1.700 -8.986 1.00 0.00 N ATOM 814 CA ASN A 58 63.470 -0.961 -9.497 1.00 0.00 C ATOM 815 C ASN A 58 63.216 0.355 -8.735 1.00 0.00 C ATOM 816 O ASN A 58 62.089 0.851 -8.700 1.00 0.00 O ATOM 817 CB ASN A 58 62.198 -1.868 -9.474 1.00 0.00 C ATOM 818 CG ASN A 58 61.781 -2.269 -10.893 1.00 0.00 C ATOM 819 OD1 ASN A 58 62.554 -2.898 -11.612 1.00 0.00 O ATOM 820 ND2 ASN A 58 60.596 -1.940 -11.336 1.00 0.00 N ATOM 0 H ASN A 58 65.443 -1.696 -9.622 1.00 0.00 H new ATOM 0 HA ASN A 58 63.692 -0.688 -10.528 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.396 -2.762 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 58 61.379 -1.339 -8.987 1.00 0.00 H new ATOM 0 HD21 ASN A 58 60.312 -2.205 -12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 58 59.955 -1.418 -10.739 1.00 0.00 H new ATOM 827 N ARG A 59 64.273 0.952 -8.202 1.00 0.00 N ATOM 828 CA ARG A 59 64.155 2.249 -7.530 1.00 0.00 C ATOM 829 C ARG A 59 65.532 2.887 -7.401 1.00 0.00 C ATOM 830 O ARG A 59 66.549 2.209 -7.534 1.00 0.00 O ATOM 831 CB ARG A 59 63.523 2.107 -6.141 1.00 0.00 C ATOM 832 CG ARG A 59 64.198 0.971 -5.368 1.00 0.00 C ATOM 833 CD ARG A 59 64.011 1.177 -3.863 1.00 0.00 C ATOM 834 NE ARG A 59 64.611 2.445 -3.450 1.00 0.00 N ATOM 835 CZ ARG A 59 64.225 3.060 -2.335 1.00 0.00 C ATOM 836 NH1 ARG A 59 63.312 2.524 -1.574 1.00 0.00 N ATOM 837 NH2 ARG A 59 64.762 4.204 -2.002 1.00 0.00 N1+ ATOM 0 H ARG A 59 65.217 0.567 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 59 63.506 2.883 -8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 59 63.624 3.042 -5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 59 62.456 1.907 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 59 63.772 0.013 -5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 59 65.260 0.937 -5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 59 62.949 1.171 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 59 64.470 0.354 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 59 65.339 2.866 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 59 62.892 1.631 -1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 59 63.018 2.997 -0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 59 65.476 4.624 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 59 64.467 4.676 -1.148 1.00 0.00 H new ATOM 851 N CYS A 60 65.563 4.189 -7.128 1.00 0.00 N ATOM 852 CA CYS A 60 66.833 4.897 -6.973 1.00 0.00 C ATOM 853 C CYS A 60 67.309 4.811 -5.526 1.00 0.00 C ATOM 854 O CYS A 60 66.546 5.053 -4.590 1.00 0.00 O ATOM 855 CB CYS A 60 66.672 6.372 -7.411 1.00 0.00 C ATOM 856 SG CYS A 60 67.731 6.715 -8.846 1.00 0.00 S ATOM 0 H CYS A 60 64.734 4.771 -7.010 1.00 0.00 H new ATOM 0 HA CYS A 60 67.584 4.428 -7.609 1.00 0.00 H new ATOM 0 HB2 CYS A 60 65.630 6.574 -7.661 1.00 0.00 H new ATOM 0 HB3 CYS A 60 66.936 7.035 -6.587 1.00 0.00 H new ATOM 861 N VAL A 61 68.577 4.441 -5.358 1.00 0.00 N ATOM 862 CA VAL A 61 69.163 4.291 -4.026 1.00 0.00 C ATOM 863 C VAL A 61 70.430 5.133 -3.910 1.00 0.00 C ATOM 864 O VAL A 61 71.177 5.281 -4.878 1.00 0.00 O ATOM 865 CB VAL A 61 69.509 2.813 -3.750 1.00 0.00 C ATOM 866 CG1 VAL A 61 69.414 2.529 -2.248 1.00 0.00 C ATOM 867 CG2 VAL A 61 68.532 1.907 -4.505 1.00 0.00 C ATOM 0 H VAL A 61 69.218 4.240 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 61 68.431 4.630 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 61 70.525 2.614 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 61 69.659 1.484 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 61 70.115 3.169 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 61 68.400 2.732 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 61 68.778 0.863 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 61 67.515 2.109 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 61 68.607 2.103 -5.575 1.00 0.00 H new ATOM 877 N ALA A 62 70.686 5.645 -2.715 1.00 0.00 N ATOM 878 CA ALA A 62 71.890 6.427 -2.483 1.00 0.00 C ATOM 879 C ALA A 62 73.124 5.569 -2.748 1.00 0.00 C ATOM 880 O ALA A 62 73.230 4.441 -2.265 1.00 0.00 O ATOM 881 CB ALA A 62 71.905 6.941 -1.041 1.00 0.00 C ATOM 0 H ALA A 62 70.083 5.535 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 62 71.901 7.280 -3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 62 72.809 7.526 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 62 71.030 7.568 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 62 71.887 6.096 -0.353 1.00 0.00 H new ATOM 887 N LEU A 63 74.015 6.092 -3.578 1.00 0.00 N ATOM 888 CA LEU A 63 75.208 5.357 -3.985 1.00 0.00 C ATOM 889 C LEU A 63 75.832 4.599 -2.806 1.00 0.00 C ATOM 890 O LEU A 63 76.274 3.460 -2.960 1.00 0.00 O ATOM 891 CB LEU A 63 76.266 6.310 -4.628 1.00 0.00 C ATOM 892 CG LEU A 63 75.775 7.778 -4.698 1.00 0.00 C ATOM 893 CD1 LEU A 63 74.586 7.911 -5.676 1.00 0.00 C ATOM 894 CD2 LEU A 63 75.410 8.320 -3.288 1.00 0.00 C ATOM 0 H LEU A 63 73.936 7.024 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 63 74.895 4.628 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.189 6.266 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 63 76.502 5.961 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 63 76.594 8.389 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 63 74.257 8.950 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 63 74.897 7.596 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 63 73.764 7.281 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 63 75.069 9.352 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 63 74.616 7.710 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.288 8.279 -2.644 1.00 0.00 H new ATOM 906 N GLU A 64 75.928 5.251 -1.655 1.00 0.00 N ATOM 907 CA GLU A 64 76.568 4.649 -0.492 1.00 0.00 C ATOM 908 C GLU A 64 75.808 3.423 0.027 1.00 0.00 C ATOM 909 O GLU A 64 76.133 2.896 1.093 1.00 0.00 O ATOM 910 CB GLU A 64 76.693 5.706 0.616 1.00 0.00 C ATOM 911 CG GLU A 64 75.307 6.344 0.926 1.00 0.00 C ATOM 912 CD GLU A 64 75.403 7.867 1.097 1.00 0.00 C ATOM 913 OE1 GLU A 64 76.507 8.391 1.106 1.00 0.00 O ATOM 914 OE2 GLU A 64 74.360 8.491 1.218 1.00 0.00 O1- ATOM 0 H GLU A 64 75.572 6.194 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 64 77.555 4.301 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 64 77.098 5.248 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 77.395 6.481 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 64 74.612 6.112 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 64 74.899 5.902 1.835 1.00 0.00 H new ATOM 921 N ARG A 65 74.790 2.973 -0.719 1.00 0.00 N ATOM 922 CA ARG A 65 73.981 1.808 -0.301 1.00 0.00 C ATOM 923 C ARG A 65 74.075 0.690 -1.322 1.00 0.00 C ATOM 924 O ARG A 65 73.160 -0.119 -1.480 1.00 0.00 O ATOM 925 CB ARG A 65 72.517 2.226 -0.110 1.00 0.00 C ATOM 926 CG ARG A 65 72.446 3.443 0.827 1.00 0.00 C ATOM 927 CD ARG A 65 72.733 3.023 2.272 1.00 0.00 C ATOM 928 NE ARG A 65 73.148 4.188 3.048 1.00 0.00 N ATOM 929 CZ ARG A 65 73.023 4.230 4.370 1.00 0.00 C ATOM 930 NH1 ARG A 65 72.401 3.276 5.007 1.00 0.00 N ATOM 931 NH2 ARG A 65 73.510 5.245 5.031 1.00 0.00 N1+ ATOM 0 H ARG A 65 74.505 3.389 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 65 74.374 1.440 0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 65 72.069 2.470 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 65 71.944 1.399 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 65 73.168 4.196 0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 65 71.459 3.901 0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 65 71.843 2.577 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 65 73.514 2.263 2.292 1.00 0.00 H new ATOM 0 HE ARG A 65 73.545 4.992 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 65 72.006 2.490 4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 65 72.309 3.316 6.022 1.00 0.00 H new ATOM 0 HH21 ARG A 65 73.983 5.999 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 65 73.418 5.284 6.046 1.00 0.00 H new ATOM 945 N CYS A 66 75.212 0.643 -1.984 1.00 0.00 N ATOM 946 CA CYS A 66 75.476 -0.393 -2.984 1.00 0.00 C ATOM 947 C CYS A 66 75.788 -1.737 -2.288 1.00 0.00 C ATOM 948 O CYS A 66 76.519 -1.757 -1.300 1.00 0.00 O ATOM 949 CB CYS A 66 76.674 0.040 -3.852 1.00 0.00 C ATOM 950 SG CYS A 66 76.517 -0.645 -5.521 1.00 0.00 S ATOM 0 H CYS A 66 75.975 1.307 -1.854 1.00 0.00 H new ATOM 0 HA CYS A 66 74.595 -0.524 -3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 66 76.723 1.128 -3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 66 77.604 -0.301 -3.397 1.00 0.00 H new ATOM 955 N PRO A 67 75.269 -2.852 -2.773 1.00 0.00 N ATOM 956 CA PRO A 67 75.540 -4.188 -2.155 1.00 0.00 C ATOM 957 C PRO A 67 76.990 -4.646 -2.358 1.00 0.00 C ATOM 958 O PRO A 67 77.744 -4.058 -3.134 1.00 0.00 O ATOM 959 CB PRO A 67 74.548 -5.126 -2.858 1.00 0.00 C ATOM 960 CG PRO A 67 74.311 -4.492 -4.185 1.00 0.00 C ATOM 961 CD PRO A 67 74.373 -2.982 -3.941 1.00 0.00 C ATOM 0 HA PRO A 67 75.413 -4.170 -1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 67 74.959 -6.130 -2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 67 73.621 -5.220 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 67 75.066 -4.803 -4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 67 73.342 -4.783 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 67 74.767 -2.452 -4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 67 73.385 -2.569 -3.736 1.00 0.00 H new ATOM 969 N CYS A 68 77.367 -5.689 -1.621 1.00 0.00 N ATOM 970 CA CYS A 68 78.723 -6.246 -1.671 1.00 0.00 C ATOM 971 C CYS A 68 78.721 -7.568 -2.443 1.00 0.00 C ATOM 972 O CYS A 68 77.995 -8.493 -2.084 1.00 0.00 O ATOM 973 CB CYS A 68 79.197 -6.476 -0.228 1.00 0.00 C ATOM 974 SG CYS A 68 79.535 -4.883 0.566 1.00 0.00 S ATOM 0 H CYS A 68 76.745 -6.173 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 68 79.395 -5.556 -2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 68 78.436 -7.018 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 68 80.096 -7.093 -0.224 1.00 0.00 H new ATOM 979 N PHE A 69 79.516 -7.649 -3.525 1.00 0.00 N ATOM 980 CA PHE A 69 79.559 -8.857 -4.364 1.00 0.00 C ATOM 981 C PHE A 69 80.742 -9.747 -3.992 1.00 0.00 C ATOM 982 O PHE A 69 81.899 -9.337 -4.092 1.00 0.00 O ATOM 983 CB PHE A 69 79.681 -8.455 -5.836 1.00 0.00 C ATOM 984 CG PHE A 69 78.392 -7.818 -6.303 1.00 0.00 C ATOM 985 CD1 PHE A 69 78.212 -6.437 -6.166 1.00 0.00 C ATOM 986 CD2 PHE A 69 77.385 -8.601 -6.881 1.00 0.00 C ATOM 987 CE1 PHE A 69 77.026 -5.837 -6.608 1.00 0.00 C ATOM 988 CE2 PHE A 69 76.196 -8.001 -7.320 1.00 0.00 C ATOM 989 CZ PHE A 69 76.018 -6.619 -7.184 1.00 0.00 C ATOM 0 H PHE A 69 80.132 -6.898 -3.836 1.00 0.00 H new ATOM 0 HA PHE A 69 78.638 -9.416 -4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 69 80.509 -7.758 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 69 79.905 -9.331 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 69 78.988 -5.833 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 69 77.524 -9.667 -6.989 1.00 0.00 H new ATOM 0 HE1 PHE A 69 76.889 -4.771 -6.504 1.00 0.00 H new ATOM 0 HE2 PHE A 69 75.418 -8.605 -7.763 1.00 0.00 H new ATOM 0 HZ PHE A 69 75.103 -6.156 -7.523 1.00 0.00 H new ATOM 999 N HIS A 70 80.439 -10.971 -3.550 1.00 0.00 N ATOM 1000 CA HIS A 70 81.478 -11.918 -3.147 1.00 0.00 C ATOM 1001 C HIS A 70 81.049 -13.353 -3.451 1.00 0.00 C ATOM 1002 O HIS A 70 79.923 -13.744 -3.152 1.00 0.00 O ATOM 1003 CB HIS A 70 81.734 -11.772 -1.639 1.00 0.00 C ATOM 1004 CG HIS A 70 83.062 -12.372 -1.261 1.00 0.00 C ATOM 1005 ND1 HIS A 70 83.174 -13.367 -0.303 1.00 0.00 N ATOM 1006 CD2 HIS A 70 84.345 -12.103 -1.672 1.00 0.00 C ATOM 1007 CE1 HIS A 70 84.479 -13.655 -0.166 1.00 0.00 C ATOM 1008 NE2 HIS A 70 85.238 -12.914 -0.978 1.00 0.00 N ATOM 0 H HIS A 70 79.487 -11.326 -3.463 1.00 0.00 H new ATOM 0 HA HIS A 70 82.388 -11.701 -3.706 1.00 0.00 H new ATOM 0 HB2 HIS A 70 81.714 -10.718 -1.363 1.00 0.00 H new ATOM 0 HB3 HIS A 70 80.936 -12.263 -1.081 1.00 0.00 H new ATOM 0 HD2 HIS A 70 84.619 -11.373 -2.420 1.00 0.00 H new ATOM 0 HE1 HIS A 70 84.867 -14.396 0.518 1.00 0.00 H new ATOM 0 HE2 HIS A 70 86.254 -12.938 -1.070 1.00 0.00 H new ATOM 1016 N GLN A 71 81.978 -14.135 -3.995 1.00 0.00 N ATOM 1017 CA GLN A 71 81.734 -15.552 -4.282 1.00 0.00 C ATOM 1018 C GLN A 71 80.582 -15.774 -5.259 1.00 0.00 C ATOM 1019 O GLN A 71 79.883 -16.784 -5.180 1.00 0.00 O ATOM 1020 CB GLN A 71 81.462 -16.298 -2.972 1.00 0.00 C ATOM 1021 CG GLN A 71 82.755 -16.349 -2.154 1.00 0.00 C ATOM 1022 CD GLN A 71 82.459 -16.748 -0.714 1.00 0.00 C ATOM 1023 OE1 GLN A 71 83.254 -16.468 0.182 1.00 0.00 O ATOM 1024 NE2 GLN A 71 81.356 -17.386 -0.435 1.00 0.00 N ATOM 0 H GLN A 71 82.912 -13.812 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 71 82.630 -15.943 -4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 71 80.678 -15.794 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 71 81.107 -17.307 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 71 83.447 -17.063 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 71 83.244 -15.375 -2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 71 80.698 -17.617 -1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 71 81.151 -17.654 0.528 1.00 0.00 H new ATOM 1033 N GLY A 72 80.452 -14.892 -6.241 1.00 0.00 N ATOM 1034 CA GLY A 72 79.451 -15.075 -7.293 1.00 0.00 C ATOM 1035 C GLY A 72 78.066 -14.578 -6.895 1.00 0.00 C ATOM 1036 O GLY A 72 77.170 -14.508 -7.735 1.00 0.00 O ATOM 0 H GLY A 72 81.019 -14.049 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 72 79.775 -14.548 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 72 79.391 -16.133 -7.549 1.00 0.00 H new ATOM 1040 N LYS A 73 77.881 -14.207 -5.628 1.00 0.00 N ATOM 1041 CA LYS A 73 76.581 -13.692 -5.175 1.00 0.00 C ATOM 1042 C LYS A 73 76.789 -12.523 -4.215 1.00 0.00 C ATOM 1043 O LYS A 73 77.844 -12.397 -3.596 1.00 0.00 O ATOM 1044 CB LYS A 73 75.723 -14.801 -4.491 1.00 0.00 C ATOM 1045 CG LYS A 73 76.507 -16.120 -4.351 1.00 0.00 C ATOM 1046 CD LYS A 73 77.549 -16.014 -3.220 1.00 0.00 C ATOM 1047 CE LYS A 73 76.905 -16.334 -1.859 1.00 0.00 C ATOM 1048 NZ LYS A 73 76.828 -17.811 -1.671 1.00 0.00 N1+ ATOM 0 H LYS A 73 78.599 -14.251 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 73 76.036 -13.349 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 73 75.405 -14.460 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 73 74.819 -14.975 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 73 75.818 -16.939 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.006 -16.355 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.372 -16.703 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 73 77.972 -15.010 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 73 77.490 -15.886 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 73 75.907 -15.899 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 76.392 -18.022 -0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 76.252 -18.228 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 77.786 -18.215 -1.701 1.00 0.00 H new ATOM 1062 N GLU A 74 75.779 -11.665 -4.115 1.00 0.00 N ATOM 1063 CA GLU A 74 75.857 -10.497 -3.243 1.00 0.00 C ATOM 1064 C GLU A 74 75.435 -10.844 -1.827 1.00 0.00 C ATOM 1065 O GLU A 74 74.844 -11.895 -1.579 1.00 0.00 O ATOM 1066 CB GLU A 74 74.977 -9.374 -3.793 1.00 0.00 C ATOM 1067 CG GLU A 74 73.482 -9.754 -3.652 1.00 0.00 C ATOM 1068 CD GLU A 74 72.683 -9.263 -4.858 1.00 0.00 C ATOM 1069 OE1 GLU A 74 72.901 -9.788 -5.937 1.00 0.00 O ATOM 1070 OE2 GLU A 74 71.864 -8.376 -4.683 1.00 0.00 O1- ATOM 0 H GLU A 74 74.900 -11.755 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 74 76.893 -10.161 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 74 75.177 -8.447 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 74 75.217 -9.193 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.384 -10.836 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 74 73.076 -9.319 -2.739 1.00 0.00 H new ATOM 1077 N TYR A 75 75.761 -9.952 -0.894 1.00 0.00 N ATOM 1078 CA TYR A 75 75.436 -10.158 0.512 1.00 0.00 C ATOM 1079 C TYR A 75 75.154 -8.807 1.182 1.00 0.00 C ATOM 1080 O TYR A 75 75.560 -7.759 0.682 1.00 0.00 O ATOM 1081 CB TYR A 75 76.618 -10.881 1.215 1.00 0.00 C ATOM 1082 CG TYR A 75 76.172 -12.222 1.772 1.00 0.00 C ATOM 1083 CD1 TYR A 75 75.078 -12.283 2.644 1.00 0.00 C ATOM 1084 CD2 TYR A 75 76.845 -13.398 1.414 1.00 0.00 C ATOM 1085 CE1 TYR A 75 74.659 -13.514 3.158 1.00 0.00 C ATOM 1086 CE2 TYR A 75 76.423 -14.630 1.928 1.00 0.00 C ATOM 1087 CZ TYR A 75 75.329 -14.687 2.800 1.00 0.00 C ATOM 1088 OH TYR A 75 74.911 -15.900 3.306 1.00 0.00 O ATOM 0 H TYR A 75 76.251 -9.079 -1.089 1.00 0.00 H new ATOM 0 HA TYR A 75 74.544 -10.779 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 75 77.433 -11.029 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 75 77.005 -10.257 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 75 74.557 -11.378 2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 75 77.689 -13.354 0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 75 73.817 -13.558 3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 75 76.941 -15.536 1.652 1.00 0.00 H new ATOM 0 HH TYR A 75 75.483 -16.615 2.957 1.00 0.00 H new ATOM 1098 N ALA A 76 74.466 -8.850 2.317 1.00 0.00 N ATOM 1099 CA ALA A 76 74.142 -7.640 3.062 1.00 0.00 C ATOM 1100 C ALA A 76 75.439 -6.931 3.512 1.00 0.00 C ATOM 1101 O ALA A 76 76.161 -7.470 4.349 1.00 0.00 O ATOM 1102 CB ALA A 76 73.298 -8.031 4.298 1.00 0.00 C ATOM 0 H ALA A 76 74.122 -9.711 2.742 1.00 0.00 H new ATOM 0 HA ALA A 76 73.577 -6.957 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.048 -7.135 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 76 72.381 -8.522 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.870 -8.712 4.928 1.00 0.00 H new ATOM 1108 N PRO A 77 75.760 -5.750 3.005 1.00 0.00 N ATOM 1109 CA PRO A 77 77.007 -5.027 3.425 1.00 0.00 C ATOM 1110 C PRO A 77 77.098 -4.837 4.938 1.00 0.00 C ATOM 1111 O PRO A 77 76.086 -4.684 5.622 1.00 0.00 O ATOM 1112 CB PRO A 77 76.903 -3.668 2.715 1.00 0.00 C ATOM 1113 CG PRO A 77 76.035 -3.924 1.537 1.00 0.00 C ATOM 1114 CD PRO A 77 75.019 -4.975 1.984 1.00 0.00 C ATOM 0 HA PRO A 77 77.902 -5.590 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 77 76.470 -2.911 3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 77 77.884 -3.303 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 77 75.535 -3.011 1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 77 76.621 -4.283 0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.122 -4.516 2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.700 -5.605 1.154 1.00 0.00 H new ATOM 1122 N GLY A 78 78.329 -4.877 5.444 1.00 0.00 N ATOM 1123 CA GLY A 78 78.582 -4.739 6.876 1.00 0.00 C ATOM 1124 C GLY A 78 78.806 -6.109 7.495 1.00 0.00 C ATOM 1125 O GLY A 78 79.306 -6.226 8.614 1.00 0.00 O ATOM 0 H GLY A 78 79.170 -5.004 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 78 79.456 -4.108 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 78 77.738 -4.246 7.358 1.00 0.00 H new ATOM 1129 N GLU A 79 78.463 -7.144 6.741 1.00 0.00 N ATOM 1130 CA GLU A 79 78.662 -8.512 7.199 1.00 0.00 C ATOM 1131 C GLU A 79 80.109 -8.925 6.955 1.00 0.00 C ATOM 1132 O GLU A 79 80.765 -8.429 6.037 1.00 0.00 O ATOM 1133 CB GLU A 79 77.679 -9.443 6.459 1.00 0.00 C ATOM 1134 CG GLU A 79 78.111 -10.925 6.569 1.00 0.00 C ATOM 1135 CD GLU A 79 78.973 -11.326 5.371 1.00 0.00 C ATOM 1136 OE1 GLU A 79 80.153 -11.017 5.381 1.00 0.00 O1- ATOM 1137 OE2 GLU A 79 78.436 -11.936 4.461 1.00 0.00 O ATOM 0 H GLU A 79 78.047 -7.063 5.813 1.00 0.00 H new ATOM 0 HA GLU A 79 78.465 -8.585 8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 79 76.679 -9.322 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 79 77.624 -9.156 5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 79 78.669 -11.079 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 79 77.229 -11.564 6.619 1.00 0.00 H new ATOM 1144 N THR A 80 80.610 -9.802 7.815 1.00 0.00 N ATOM 1145 CA THR A 80 81.991 -10.261 7.738 1.00 0.00 C ATOM 1146 C THR A 80 82.051 -11.662 7.149 1.00 0.00 C ATOM 1147 O THR A 80 81.431 -12.598 7.659 1.00 0.00 O ATOM 1148 CB THR A 80 82.607 -10.279 9.142 1.00 0.00 C ATOM 1149 OG1 THR A 80 82.388 -9.023 9.773 1.00 0.00 O ATOM 1150 CG2 THR A 80 84.116 -10.539 9.059 1.00 0.00 C ATOM 0 H THR A 80 80.075 -10.213 8.580 1.00 0.00 H new ATOM 0 HA THR A 80 82.550 -9.579 7.097 1.00 0.00 H new ATOM 0 HB THR A 80 82.137 -11.075 9.720 1.00 0.00 H new ATOM 0 HG1 THR A 80 82.780 -9.035 10.671 1.00 0.00 H new ATOM 0 HG21 THR A 80 84.539 -10.549 10.063 1.00 0.00 H new ATOM 0 HG22 THR A 80 84.293 -11.502 8.581 1.00 0.00 H new ATOM 0 HG23 THR A 80 84.589 -9.751 8.474 1.00 0.00 H new ATOM 1158 N VAL A 81 82.836 -11.796 6.087 1.00 0.00 N ATOM 1159 CA VAL A 81 83.044 -13.077 5.414 1.00 0.00 C ATOM 1160 C VAL A 81 84.534 -13.367 5.423 1.00 0.00 C ATOM 1161 O VAL A 81 85.354 -12.491 5.150 1.00 0.00 O ATOM 1162 CB VAL A 81 82.490 -13.019 3.970 1.00 0.00 C ATOM 1163 CG1 VAL A 81 83.007 -11.753 3.275 1.00 0.00 C ATOM 1164 CG2 VAL A 81 82.884 -14.280 3.140 1.00 0.00 C ATOM 0 H VAL A 81 83.348 -11.021 5.666 1.00 0.00 H new ATOM 0 HA VAL A 81 82.512 -13.876 5.930 1.00 0.00 H new ATOM 0 HB VAL A 81 81.402 -12.996 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 81 82.617 -11.711 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 81 82.675 -10.874 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 81 84.096 -11.773 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 81 82.474 -14.196 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 81 83.970 -14.354 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 81 82.484 -15.172 3.622 1.00 0.00 H new ATOM 1174 N LYS A 82 84.871 -14.591 5.800 1.00 0.00 N ATOM 1175 CA LYS A 82 86.259 -15.011 5.916 1.00 0.00 C ATOM 1176 C LYS A 82 86.586 -15.987 4.796 1.00 0.00 C ATOM 1177 O LYS A 82 85.710 -16.708 4.318 1.00 0.00 O ATOM 1178 CB LYS A 82 86.470 -15.717 7.273 1.00 0.00 C ATOM 1179 CG LYS A 82 85.576 -15.083 8.351 1.00 0.00 C ATOM 1180 CD LYS A 82 85.675 -15.917 9.635 1.00 0.00 C ATOM 1181 CE LYS A 82 84.589 -15.500 10.654 1.00 0.00 C ATOM 1182 NZ LYS A 82 83.826 -16.717 11.052 1.00 0.00 N1+ ATOM 0 H LYS A 82 84.194 -15.318 6.033 1.00 0.00 H new ATOM 0 HA LYS A 82 86.908 -14.138 5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.239 -16.778 7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.516 -15.644 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 82 85.888 -14.057 8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 82 84.542 -15.042 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 82 85.566 -16.975 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 82 86.662 -15.791 10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 82 85.047 -15.037 11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 82 83.920 -14.760 10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 83.090 -16.456 11.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 83.382 -17.139 10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 84.473 -17.407 11.484 1.00 0.00 H new ATOM 1196 N ILE A 83 87.853 -16.054 4.420 1.00 0.00 N ATOM 1197 CA ILE A 83 88.295 -16.997 3.403 1.00 0.00 C ATOM 1198 C ILE A 83 89.591 -17.649 3.863 1.00 0.00 C ATOM 1199 O ILE A 83 90.685 -17.167 3.568 1.00 0.00 O ATOM 1200 CB ILE A 83 88.488 -16.283 2.055 1.00 0.00 C ATOM 1201 CG1 ILE A 83 89.123 -17.260 1.016 1.00 0.00 C ATOM 1202 CG2 ILE A 83 89.384 -15.036 2.234 1.00 0.00 C ATOM 1203 CD1 ILE A 83 88.341 -17.223 -0.302 1.00 0.00 C ATOM 0 H ILE A 83 88.594 -15.467 4.803 1.00 0.00 H new ATOM 0 HA ILE A 83 87.536 -17.767 3.263 1.00 0.00 H new ATOM 0 HB ILE A 83 87.514 -15.962 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 83 90.162 -16.985 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 83 89.126 -18.274 1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 83 89.513 -14.539 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 83 88.914 -14.348 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 83 90.358 -15.340 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 83 88.797 -17.910 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 83 87.308 -17.521 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 83 88.361 -16.212 -0.709 1.00 0.00 H new ATOM 1215 N GLY A 84 89.454 -18.727 4.627 1.00 0.00 N ATOM 1216 CA GLY A 84 90.614 -19.420 5.171 1.00 0.00 C ATOM 1217 C GLY A 84 91.110 -18.721 6.433 1.00 0.00 C ATOM 1218 O GLY A 84 90.790 -19.134 7.548 1.00 0.00 O ATOM 0 H GLY A 84 88.556 -19.138 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 84 90.354 -20.454 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 84 91.410 -19.448 4.427 1.00 0.00 H new ATOM 1222 N CYS A 85 91.888 -17.653 6.250 1.00 0.00 N ATOM 1223 CA CYS A 85 92.423 -16.888 7.381 1.00 0.00 C ATOM 1224 C CYS A 85 92.158 -15.402 7.197 1.00 0.00 C ATOM 1225 O CYS A 85 91.962 -14.670 8.166 1.00 0.00 O ATOM 1226 CB CYS A 85 93.930 -17.109 7.502 1.00 0.00 C ATOM 1227 SG CYS A 85 94.580 -16.075 8.839 1.00 0.00 S ATOM 0 H CYS A 85 92.162 -17.298 5.334 1.00 0.00 H new ATOM 0 HA CYS A 85 91.925 -17.234 8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 85 94.140 -18.159 7.704 1.00 0.00 H new ATOM 0 HB3 CYS A 85 94.422 -16.860 6.562 1.00 0.00 H new ATOM 1232 N ASN A 86 92.151 -14.966 5.950 1.00 0.00 N ATOM 1233 CA ASN A 86 91.910 -13.565 5.654 1.00 0.00 C ATOM 1234 C ASN A 86 90.474 -13.189 5.998 1.00 0.00 C ATOM 1235 O ASN A 86 89.529 -13.702 5.400 1.00 0.00 O ATOM 1236 CB ASN A 86 92.174 -13.293 4.175 1.00 0.00 C ATOM 1237 CG ASN A 86 93.610 -13.667 3.826 1.00 0.00 C ATOM 1238 OD1 ASN A 86 93.840 -14.614 3.076 1.00 0.00 O ATOM 1239 ND2 ASN A 86 94.595 -12.974 4.328 1.00 0.00 N ATOM 0 H ASN A 86 92.308 -15.556 5.133 1.00 0.00 H new ATOM 0 HA ASN A 86 92.586 -12.960 6.258 1.00 0.00 H new ATOM 0 HB2 ASN A 86 91.480 -13.868 3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 86 91.999 -12.240 3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 86 95.559 -13.217 4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 86 94.401 -12.189 4.950 1.00 0.00 H new ATOM 1246 N THR A 87 90.318 -12.248 6.922 1.00 0.00 N ATOM 1247 CA THR A 87 88.995 -11.760 7.293 1.00 0.00 C ATOM 1248 C THR A 87 88.640 -10.586 6.386 1.00 0.00 C ATOM 1249 O THR A 87 89.306 -9.550 6.415 1.00 0.00 O ATOM 1250 CB THR A 87 89.013 -11.311 8.762 1.00 0.00 C ATOM 1251 OG1 THR A 87 89.518 -12.368 9.567 1.00 0.00 O ATOM 1252 CG2 THR A 87 87.599 -10.947 9.238 1.00 0.00 C ATOM 0 H THR A 87 91.088 -11.809 7.426 1.00 0.00 H new ATOM 0 HA THR A 87 88.251 -12.548 7.177 1.00 0.00 H new ATOM 0 HB THR A 87 89.649 -10.430 8.850 1.00 0.00 H new ATOM 0 HG1 THR A 87 89.533 -12.086 10.505 1.00 0.00 H new ATOM 0 HG21 THR A 87 87.636 -10.632 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 87 87.207 -10.134 8.627 1.00 0.00 H new ATOM 0 HG23 THR A 87 86.949 -11.817 9.145 1.00 0.00 H new ATOM 1260 N CYS A 88 87.625 -10.774 5.535 1.00 0.00 N ATOM 1261 CA CYS A 88 87.235 -9.739 4.565 1.00 0.00 C ATOM 1262 C CYS A 88 85.888 -9.106 4.896 1.00 0.00 C ATOM 1263 O CYS A 88 84.943 -9.778 5.312 1.00 0.00 O ATOM 1264 CB CYS A 88 87.188 -10.345 3.157 1.00 0.00 C ATOM 1265 SG CYS A 88 88.875 -10.510 2.530 1.00 0.00 S ATOM 0 H CYS A 88 87.062 -11.624 5.496 1.00 0.00 H new ATOM 0 HA CYS A 88 87.985 -8.949 4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 88 86.699 -11.319 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 88 86.600 -9.711 2.494 1.00 0.00 H new ATOM 1270 N VAL A 89 85.814 -7.799 4.654 1.00 0.00 N ATOM 1271 CA VAL A 89 84.594 -7.033 4.862 1.00 0.00 C ATOM 1272 C VAL A 89 84.642 -5.776 3.986 1.00 0.00 C ATOM 1273 O VAL A 89 85.662 -5.089 3.939 1.00 0.00 O ATOM 1274 CB VAL A 89 84.467 -6.661 6.350 1.00 0.00 C ATOM 1275 CG1 VAL A 89 85.652 -5.778 6.768 1.00 0.00 C ATOM 1276 CG2 VAL A 89 83.138 -5.921 6.612 1.00 0.00 C ATOM 0 H VAL A 89 86.598 -7.245 4.309 1.00 0.00 H new ATOM 0 HA VAL A 89 83.723 -7.626 4.583 1.00 0.00 H new ATOM 0 HB VAL A 89 84.475 -7.577 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 89 85.557 -5.517 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 89 86.584 -6.321 6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 89 85.657 -4.868 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 89 83.066 -5.666 7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 89 83.106 -5.009 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 89 82.303 -6.565 6.336 1.00 0.00 H new ATOM 1286 N CYS A 90 83.546 -5.492 3.279 1.00 0.00 N ATOM 1287 CA CYS A 90 83.496 -4.328 2.392 1.00 0.00 C ATOM 1288 C CYS A 90 83.160 -3.060 3.175 1.00 0.00 C ATOM 1289 O CYS A 90 82.220 -3.035 3.967 1.00 0.00 O ATOM 1290 CB CYS A 90 82.465 -4.550 1.274 1.00 0.00 C ATOM 1291 SG CYS A 90 80.959 -5.300 1.945 1.00 0.00 S ATOM 0 H CYS A 90 82.690 -6.046 3.302 1.00 0.00 H new ATOM 0 HA CYS A 90 84.481 -4.202 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 90 82.225 -3.599 0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 90 82.888 -5.194 0.503 1.00 0.00 H new ATOM 1296 N ARG A 91 83.941 -2.006 2.928 1.00 0.00 N ATOM 1297 CA ARG A 91 83.734 -0.720 3.600 1.00 0.00 C ATOM 1298 C ARG A 91 83.844 0.414 2.582 1.00 0.00 C ATOM 1299 O ARG A 91 84.588 0.313 1.606 1.00 0.00 O ATOM 1300 CB ARG A 91 84.780 -0.526 4.714 1.00 0.00 C ATOM 1301 CG ARG A 91 84.292 0.535 5.715 1.00 0.00 C ATOM 1302 CD ARG A 91 85.238 0.594 6.923 1.00 0.00 C ATOM 1303 NE ARG A 91 86.464 1.323 6.592 1.00 0.00 N ATOM 1304 CZ ARG A 91 86.547 2.642 6.758 1.00 0.00 C ATOM 1305 NH1 ARG A 91 85.518 3.307 7.211 1.00 0.00 N ATOM 1306 NH2 ARG A 91 87.654 3.275 6.476 1.00 0.00 N1+ ATOM 0 H ARG A 91 84.720 -2.017 2.270 1.00 0.00 H new ATOM 0 HA ARG A 91 82.740 -0.710 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 91 84.954 -1.471 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 91 85.732 -0.219 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 91 84.247 1.510 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 91 83.281 0.297 6.046 1.00 0.00 H new ATOM 0 HD2 ARG A 91 84.736 1.080 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 91 85.487 -0.417 7.245 1.00 0.00 H new ATOM 0 HE ARG A 91 87.268 0.812 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 91 84.653 2.816 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 91 85.580 4.317 7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 91 88.462 2.759 6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.711 4.285 6.605 1.00 0.00 H new ATOM 1320 N ASP A 92 83.053 1.463 2.791 1.00 0.00 N ATOM 1321 CA ASP A 92 83.018 2.596 1.869 1.00 0.00 C ATOM 1322 C ASP A 92 82.949 2.108 0.427 1.00 0.00 C ATOM 1323 O ASP A 92 83.635 2.624 -0.456 1.00 0.00 O ATOM 1324 CB ASP A 92 84.230 3.508 2.062 1.00 0.00 C ATOM 1325 CG ASP A 92 85.513 2.693 2.042 1.00 0.00 C ATOM 1326 OD1 ASP A 92 85.878 2.229 0.976 1.00 0.00 O ATOM 1327 OD2 ASP A 92 86.110 2.539 3.093 1.00 0.00 O1- ATOM 0 H ASP A 92 82.427 1.553 3.591 1.00 0.00 H new ATOM 0 HA ASP A 92 82.122 3.176 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 92 84.257 4.260 1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 92 84.145 4.042 3.009 1.00 0.00 H new ATOM 1332 N ARG A 93 82.088 1.124 0.205 1.00 0.00 N ATOM 1333 CA ARG A 93 81.878 0.568 -1.125 1.00 0.00 C ATOM 1334 C ARG A 93 83.175 0.017 -1.712 1.00 0.00 C ATOM 1335 O ARG A 93 83.367 0.040 -2.927 1.00 0.00 O ATOM 1336 CB ARG A 93 81.307 1.650 -2.060 1.00 0.00 C ATOM 1337 CG ARG A 93 80.560 0.984 -3.228 1.00 0.00 C ATOM 1338 CD ARG A 93 80.119 2.026 -4.273 1.00 0.00 C ATOM 1339 NE ARG A 93 81.102 2.125 -5.348 1.00 0.00 N ATOM 1340 CZ ARG A 93 81.307 1.112 -6.191 1.00 0.00 C ATOM 1341 NH1 ARG A 93 80.674 -0.017 -6.026 1.00 0.00 N ATOM 1342 NH2 ARG A 93 82.149 1.247 -7.181 1.00 0.00 N1+ ATOM 0 H ARG A 93 81.520 0.692 0.934 1.00 0.00 H new ATOM 0 HA ARG A 93 81.169 -0.255 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 93 80.630 2.302 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 93 82.113 2.277 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 93 81.205 0.242 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 93 79.687 0.453 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 93 79.149 1.748 -4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 93 79.996 2.998 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 93 81.641 2.984 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 93 80.020 -0.127 -5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 93 80.833 -0.790 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 93 82.649 2.127 -7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 93 82.306 0.473 -7.826 1.00 0.00 H new ATOM 1356 N LYS A 94 84.083 -0.455 -0.856 1.00 0.00 N ATOM 1357 CA LYS A 94 85.363 -0.983 -1.338 1.00 0.00 C ATOM 1358 C LYS A 94 85.716 -2.277 -0.617 1.00 0.00 C ATOM 1359 O LYS A 94 85.578 -2.381 0.601 1.00 0.00 O ATOM 1360 CB LYS A 94 86.457 0.070 -1.111 1.00 0.00 C ATOM 1361 CG LYS A 94 87.823 -0.402 -1.662 1.00 0.00 C ATOM 1362 CD LYS A 94 87.834 -0.517 -3.203 1.00 0.00 C ATOM 1363 CE LYS A 94 87.303 0.762 -3.859 1.00 0.00 C ATOM 1364 NZ LYS A 94 87.806 0.844 -5.260 1.00 0.00 N1+ ATOM 0 H LYS A 94 83.961 -0.483 0.156 1.00 0.00 H new ATOM 0 HA LYS A 94 85.283 -1.203 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 94 86.171 1.003 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 94 86.546 0.279 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 94 88.598 0.297 -1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 94 88.071 -1.370 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 94 88.849 -0.711 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 94 87.225 -1.367 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 94 86.213 0.763 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 94 87.626 1.636 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 87.447 1.711 -5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 88.846 0.862 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 87.477 0.016 -5.796 1.00 0.00 H new ATOM 1378 N TRP A 95 86.195 -3.251 -1.379 1.00 0.00 N ATOM 1379 CA TRP A 95 86.598 -4.528 -0.805 1.00 0.00 C ATOM 1380 C TRP A 95 87.997 -4.399 -0.216 1.00 0.00 C ATOM 1381 O TRP A 95 88.991 -4.378 -0.942 1.00 0.00 O ATOM 1382 CB TRP A 95 86.570 -5.617 -1.892 1.00 0.00 C ATOM 1383 CG TRP A 95 85.197 -6.196 -1.990 1.00 0.00 C ATOM 1384 CD1 TRP A 95 84.298 -5.938 -2.970 1.00 0.00 C ATOM 1385 CD2 TRP A 95 84.552 -7.120 -1.074 1.00 0.00 C ATOM 1386 NE1 TRP A 95 83.142 -6.654 -2.712 1.00 0.00 N ATOM 1387 CE2 TRP A 95 83.255 -7.402 -1.558 1.00 0.00 C ATOM 1388 CE3 TRP A 95 84.969 -7.740 0.117 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 82.402 -8.269 -0.886 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 84.109 -8.613 0.801 1.00 0.00 C ATOM 1391 CH2 TRP A 95 82.828 -8.880 0.299 1.00 0.00 C ATOM 0 H TRP A 95 86.314 -3.183 -2.390 1.00 0.00 H new ATOM 0 HA TRP A 95 85.905 -4.810 -0.012 1.00 0.00 H new ATOM 0 HB2 TRP A 95 86.866 -5.194 -2.852 1.00 0.00 H new ATOM 0 HB3 TRP A 95 87.289 -6.401 -1.654 1.00 0.00 H new ATOM 0 HD1 TRP A 95 84.457 -5.282 -3.813 1.00 0.00 H new ATOM 0 HE1 TRP A 95 82.310 -6.632 -3.302 1.00 0.00 H new ATOM 0 HE3 TRP A 95 85.956 -7.543 0.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 81.415 -8.470 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 84.436 -9.081 1.718 1.00 0.00 H new ATOM 0 HH2 TRP A 95 82.171 -9.556 0.826 1.00 0.00 H new ATOM 1402 N ASN A 96 88.061 -4.358 1.112 1.00 0.00 N ATOM 1403 CA ASN A 96 89.335 -4.285 1.826 1.00 0.00 C ATOM 1404 C ASN A 96 89.358 -5.315 2.947 1.00 0.00 C ATOM 1405 O ASN A 96 88.347 -5.539 3.613 1.00 0.00 O ATOM 1406 CB ASN A 96 89.540 -2.883 2.399 1.00 0.00 C ATOM 1407 CG ASN A 96 88.279 -2.419 3.117 1.00 0.00 C ATOM 1408 OD1 ASN A 96 87.451 -3.239 3.515 1.00 0.00 O ATOM 1409 ND2 ASN A 96 88.086 -1.144 3.307 1.00 0.00 N ATOM 0 H ASN A 96 87.242 -4.374 1.719 1.00 0.00 H new ATOM 0 HA ASN A 96 90.144 -4.499 1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 96 90.382 -2.885 3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 96 89.788 -2.187 1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 96 87.246 -0.821 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 96 88.775 -0.469 2.975 1.00 0.00 H new ATOM 1416 N CYS A 97 90.508 -5.963 3.135 1.00 0.00 N ATOM 1417 CA CYS A 97 90.640 -7.004 4.162 1.00 0.00 C ATOM 1418 C CYS A 97 91.868 -6.774 5.037 1.00 0.00 C ATOM 1419 O CYS A 97 92.390 -5.662 5.130 1.00 0.00 O ATOM 1420 CB CYS A 97 90.773 -8.374 3.497 1.00 0.00 C ATOM 1421 SG CYS A 97 89.470 -8.598 2.264 1.00 0.00 S ATOM 0 H CYS A 97 91.356 -5.790 2.596 1.00 0.00 H new ATOM 0 HA CYS A 97 89.747 -6.963 4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 97 91.751 -8.463 3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 97 90.710 -9.160 4.250 1.00 0.00 H new ATOM 1426 N THR A 98 92.258 -7.830 5.745 1.00 0.00 N ATOM 1427 CA THR A 98 93.356 -7.759 6.707 1.00 0.00 C ATOM 1428 C THR A 98 94.612 -7.205 6.095 1.00 0.00 C ATOM 1429 O THR A 98 95.239 -6.322 6.680 1.00 0.00 O ATOM 1430 CB THR A 98 93.635 -9.160 7.301 1.00 0.00 C ATOM 1431 OG1 THR A 98 94.891 -9.648 6.842 1.00 0.00 O ATOM 1432 CG2 THR A 98 92.545 -10.150 6.902 1.00 0.00 C ATOM 0 H THR A 98 91.827 -8.752 5.670 1.00 0.00 H new ATOM 0 HA THR A 98 93.048 -7.078 7.500 1.00 0.00 H new ATOM 0 HB THR A 98 93.649 -9.063 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 98 95.485 -9.794 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 98 92.765 -11.127 7.333 1.00 0.00 H new ATOM 0 HG22 THR A 98 91.582 -9.799 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 98 92.508 -10.232 5.816 1.00 0.00 H new ATOM 1440 N ASP A 99 95.042 -7.764 4.999 1.00 0.00 N ATOM 1441 CA ASP A 99 96.305 -7.352 4.408 1.00 0.00 C ATOM 1442 C ASP A 99 97.427 -7.512 5.439 1.00 0.00 C ATOM 1443 O ASP A 99 98.603 -7.350 5.114 1.00 0.00 O ATOM 1444 CB ASP A 99 96.236 -5.899 3.924 1.00 0.00 C ATOM 1445 CG ASP A 99 95.311 -5.804 2.715 1.00 0.00 C ATOM 1446 OD1 ASP A 99 94.893 -6.845 2.233 1.00 0.00 O1- ATOM 1447 OD2 ASP A 99 95.032 -4.696 2.292 1.00 0.00 O ATOM 0 H ASP A 99 94.550 -8.500 4.493 1.00 0.00 H new ATOM 0 HA ASP A 99 96.510 -7.985 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 99 95.871 -5.256 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 99 97.233 -5.546 3.660 1.00 0.00 H new ATOM 1452 N HIS A 100 97.057 -7.895 6.673 1.00 0.00 N ATOM 1453 CA HIS A 100 98.049 -8.146 7.722 1.00 0.00 C ATOM 1454 C HIS A 100 98.429 -9.632 7.701 1.00 0.00 C ATOM 1455 O HIS A 100 97.585 -10.487 7.434 1.00 0.00 O ATOM 1456 CB HIS A 100 97.480 -7.707 9.105 1.00 0.00 C ATOM 1457 CG HIS A 100 97.278 -8.890 10.021 1.00 0.00 C ATOM 1458 ND1 HIS A 100 96.189 -9.687 10.252 1.00 0.00 N flip ATOM 1459 CD2 HIS A 100 98.297 -9.407 10.806 1.00 0.00 C flip ATOM 1460 CE1 HIS A 100 96.521 -10.689 11.158 1.00 0.00 C flip ATOM 1461 NE2 HIS A 100 97.804 -10.474 11.461 1.00 0.00 N flip ATOM 0 H HIS A 100 96.089 -8.035 6.962 1.00 0.00 H new ATOM 0 HA HIS A 100 98.951 -7.560 7.543 1.00 0.00 H new ATOM 0 HB2 HIS A 100 98.163 -6.997 9.572 1.00 0.00 H new ATOM 0 HB3 HIS A 100 96.531 -7.190 8.962 1.00 0.00 H new ATOM 0 HD2 HIS A 100 99.304 -9.023 10.879 1.00 0.00 H new ATOM 0 HE1 HIS A 100 95.880 -11.472 11.535 1.00 0.00 H new ATOM 0 HE2 HIS A 100 98.344 -11.048 12.109 1.00 0.00 H new ATOM 1469 N VAL A 101 99.692 -9.932 7.984 1.00 0.00 N ATOM 1470 CA VAL A 101 100.146 -11.319 7.981 1.00 0.00 C ATOM 1471 C VAL A 101 99.393 -12.117 9.041 1.00 0.00 C ATOM 1472 O VAL A 101 99.657 -11.982 10.236 1.00 0.00 O ATOM 1473 CB VAL A 101 101.659 -11.374 8.266 1.00 0.00 C ATOM 1474 CG1 VAL A 101 102.230 -12.762 7.902 1.00 0.00 C ATOM 1475 CG2 VAL A 101 102.383 -10.270 7.460 1.00 0.00 C ATOM 0 H VAL A 101 100.410 -9.246 8.215 1.00 0.00 H new ATOM 0 HA VAL A 101 99.949 -11.754 7.001 1.00 0.00 H new ATOM 0 HB VAL A 101 101.822 -11.205 9.330 1.00 0.00 H new ATOM 0 HG11 VAL A 101 103.300 -12.781 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 101 101.731 -13.528 8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 101 102.063 -12.958 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 101 103.453 -10.312 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 101 102.211 -10.425 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 101 101.996 -9.294 7.752 1.00 0.00 H new ATOM 1485 N CYS A 102 98.439 -12.940 8.594 1.00 0.00 N ATOM 1486 CA CYS A 102 97.634 -13.756 9.512 1.00 0.00 C ATOM 1487 C CYS A 102 97.958 -15.237 9.343 1.00 0.00 C ATOM 1488 O CYS A 102 97.200 -16.101 9.785 1.00 0.00 O ATOM 1489 CB CYS A 102 96.136 -13.516 9.256 1.00 0.00 C ATOM 1490 SG CYS A 102 95.542 -14.564 7.897 1.00 0.00 S ATOM 0 H CYS A 102 98.205 -13.059 7.608 1.00 0.00 H new ATOM 0 HA CYS A 102 97.875 -13.462 10.534 1.00 0.00 H new ATOM 0 HB2 CYS A 102 95.568 -13.730 10.162 1.00 0.00 H new ATOM 0 HB3 CYS A 102 95.967 -12.467 9.014 1.00 0.00 H new ATOM 1495 N ASP A 103 99.087 -15.524 8.709 1.00 0.00 N ATOM 1496 CA ASP A 103 99.496 -16.904 8.491 1.00 0.00 C ATOM 1497 C ASP A 103 99.615 -17.633 9.829 1.00 0.00 C ATOM 1498 O ASP A 103 100.256 -17.097 10.718 1.00 0.00 O ATOM 1499 CB ASP A 103 100.843 -16.930 7.740 1.00 0.00 C ATOM 1500 CG ASP A 103 100.614 -16.946 6.229 1.00 0.00 C ATOM 1501 OD1 ASP A 103 100.413 -18.023 5.691 1.00 0.00 O1- ATOM 1502 OD2 ASP A 103 100.648 -15.882 5.631 1.00 0.00 O ATOM 1503 OXT ASP A 103 99.062 -18.713 9.943 1.00 0.00 O ATOM 0 H ASP A 103 99.731 -14.825 8.339 1.00 0.00 H new ATOM 0 HA ASP A 103 98.745 -17.413 7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 103 101.436 -16.058 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 103 101.414 -17.810 8.036 1.00 0.00 H new