USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 811 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 28 HIS : no HD1:sc= -0.128 X(o=-0.079,f=-0.42) USER MOD Set 1.2: A 77 HIS : no HE2:sc= 0.0488 K(o=-0.079,f=-1) USER MOD Set 2.1: A 72 TYR OH : rot 166:sc= 0 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0.081) USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= -0.156 USER MOD Set 3.2: A 50 GLN : amide:sc= -5! C(o=-4.9!,f=-2.8!) USER MOD Set 3.3: A 51 GLN : amide:sc= 0.223 K(o=-4.9,f=-2.8) USER MOD Set 4.1: A 29 MET CE :methyl -156:sc= -2.72 (180deg=-3.26!) USER MOD Set 4.2: A 70 SER OG : rot 79:sc= 1.2 USER MOD Single : A 1 MET CE :methyl -172:sc= -6.46! (180deg=-6.58!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.0395 X(o=0.04,f=-0.14) USER MOD Single : A 8 CYS SG : rot 18:sc= -2.67! USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.71! K(o=-1.7!,f=0) USER MOD Single : A 12 HIS : no HE2:sc= 0.0623 K(o=0.062,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= -0.0435 (180deg=-0.239) USER MOD Single : A 22 THR OG1 : rot -18:sc= 1.05 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -107:sc= -0.31 (180deg=-1.39) USER MOD Single : A 31 SER OG : rot 90:sc= 0.237 USER MOD Single : A 36 THR OG1 : rot 112:sc= 0.916 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.464 K(o=-0.46,f=-1.4!) USER MOD Single : A 49 GLN : amide:sc= -3.03! K(o=-3!,f=-1.6) USER MOD Single : A 55 MET CE :methyl -148:sc= 0 (180deg=-1.23) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -167:sc= -10.3! (180deg=-11.4!) USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.0446 (180deg=-0.299) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0.0163 (180deg=-0.0279) USER MOD Single : A 65 ASN : amide:sc= -0.0527 K(o=-0.053,f=-1.4) USER MOD Single : A 67 SER OG : rot -140:sc= -0.0661 USER MOD Single : A 68 TYR OH : rot 119:sc= -1.94 USER MOD Single : A 73 ASN : amide:sc= -0.404 K(o=-0.4,f=-2.5!) USER MOD Single : A 80 TYR OH : rot 150:sc= -0.279 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.00655 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 -0.376 -19.567 -6.136 1.00 0.00 N ATOM 2 CA GLY A -5 0.309 -19.665 -7.449 1.00 0.00 C ATOM 3 C GLY A -5 1.328 -18.557 -7.653 1.00 0.00 C ATOM 4 O GLY A -5 2.524 -18.772 -7.464 1.00 0.00 O ATOM 0 H1 GLY A -5 -1.061 -20.344 -6.043 1.00 0.00 H new ATOM 0 H2 GLY A -5 0.327 -19.632 -5.372 1.00 0.00 H new ATOM 0 H3 GLY A -5 -0.874 -18.656 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A -5 0.807 -20.632 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -0.433 -19.625 -8.247 1.00 0.00 H new ATOM 10 N PRO A -4 0.881 -17.348 -8.038 1.00 0.00 N ATOM 11 CA PRO A -4 1.773 -16.205 -8.261 1.00 0.00 C ATOM 12 C PRO A -4 2.357 -15.675 -6.952 1.00 0.00 C ATOM 13 O PRO A -4 1.618 -15.371 -6.016 1.00 0.00 O ATOM 14 CB PRO A -4 0.862 -15.140 -8.900 1.00 0.00 C ATOM 15 CG PRO A -4 -0.412 -15.839 -9.234 1.00 0.00 C ATOM 16 CD PRO A -4 -0.521 -16.995 -8.286 1.00 0.00 C ATOM 0 HA PRO A -4 2.627 -16.476 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO A -4 0.685 -14.313 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A -4 1.322 -14.718 -9.794 1.00 0.00 H new ATOM 0 HG2 PRO A -4 -1.263 -15.167 -9.127 1.00 0.00 H new ATOM 0 HG3 PRO A -4 -0.406 -16.184 -10.268 1.00 0.00 H new ATOM 0 HD2 PRO A -4 -1.036 -16.717 -7.367 1.00 0.00 H new ATOM 0 HD3 PRO A -4 -1.076 -17.825 -8.723 1.00 0.00 H new ATOM 24 N LEU A -3 3.677 -15.576 -6.888 1.00 0.00 N ATOM 25 CA LEU A -3 4.344 -15.089 -5.685 1.00 0.00 C ATOM 26 C LEU A -3 5.599 -14.298 -6.066 1.00 0.00 C ATOM 27 O LEU A -3 6.595 -14.865 -6.522 1.00 0.00 O ATOM 28 CB LEU A -3 4.699 -16.280 -4.777 1.00 0.00 C ATOM 29 CG LEU A -3 4.865 -15.965 -3.277 1.00 0.00 C ATOM 30 CD1 LEU A -3 6.117 -15.141 -3.024 1.00 0.00 C ATOM 31 CD2 LEU A -3 3.632 -15.250 -2.742 1.00 0.00 C ATOM 0 H LEU A -3 4.307 -15.825 -7.651 1.00 0.00 H new ATOM 0 HA LEU A -3 3.675 -14.423 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.922 -17.037 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A -3 5.627 -16.723 -5.139 1.00 0.00 H new ATOM 0 HG LEU A -3 4.975 -16.910 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.207 -14.934 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A -3 6.992 -15.696 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.050 -14.201 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A -3 3.767 -15.036 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A -3 3.488 -14.316 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A -3 2.757 -15.886 -2.875 1.00 0.00 H new ATOM 43 N GLY A -2 5.544 -12.986 -5.880 1.00 0.00 N ATOM 44 CA GLY A -2 6.680 -12.148 -6.214 1.00 0.00 C ATOM 45 C GLY A -2 6.307 -10.685 -6.369 1.00 0.00 C ATOM 46 O GLY A -2 5.188 -10.285 -6.059 1.00 0.00 O ATOM 0 H GLY A -2 4.737 -12.488 -5.505 1.00 0.00 H new ATOM 0 HA2 GLY A -2 7.438 -12.244 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A -2 7.128 -12.504 -7.142 1.00 0.00 H new ATOM 50 N SER A -1 7.254 -9.892 -6.843 1.00 0.00 N ATOM 51 CA SER A -1 7.042 -8.462 -7.048 1.00 0.00 C ATOM 52 C SER A -1 6.340 -8.198 -8.377 1.00 0.00 C ATOM 53 O SER A -1 6.101 -9.126 -9.157 1.00 0.00 O ATOM 54 CB SER A -1 8.390 -7.735 -7.020 1.00 0.00 C ATOM 55 OG SER A -1 9.144 -8.089 -5.871 1.00 0.00 O ATOM 0 H SER A -1 8.188 -10.216 -7.096 1.00 0.00 H new ATOM 0 HA SER A -1 6.405 -8.088 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A -1 8.956 -7.980 -7.919 1.00 0.00 H new ATOM 0 HB3 SER A -1 8.225 -6.658 -7.031 1.00 0.00 H new ATOM 0 HG SER A -1 10.000 -7.611 -5.881 1.00 0.00 H new ATOM 61 N MET A 1 6.019 -6.932 -8.636 1.00 0.00 N ATOM 62 CA MET A 1 5.356 -6.546 -9.874 1.00 0.00 C ATOM 63 C MET A 1 6.353 -6.433 -11.014 1.00 0.00 C ATOM 64 O MET A 1 7.528 -6.772 -10.873 1.00 0.00 O ATOM 65 CB MET A 1 4.632 -5.200 -9.723 1.00 0.00 C ATOM 66 CG MET A 1 5.531 -4.051 -9.301 1.00 0.00 C ATOM 67 SD MET A 1 5.848 -4.051 -7.532 1.00 0.00 S ATOM 68 CE MET A 1 4.234 -3.575 -6.931 1.00 0.00 C ATOM 0 H MET A 1 6.209 -6.156 -8.002 1.00 0.00 H new ATOM 0 HA MET A 1 4.628 -7.326 -10.099 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.159 -4.947 -10.672 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.834 -5.310 -8.989 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.477 -4.116 -9.838 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.068 -3.106 -9.585 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.286 -3.388 -5.858 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.908 -2.669 -7.442 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.522 -4.377 -7.125 1.00 0.00 H new ATOM 78 N ASP A 2 5.869 -5.932 -12.137 1.00 0.00 N ATOM 79 CA ASP A 2 6.697 -5.745 -13.310 1.00 0.00 C ATOM 80 C ASP A 2 7.668 -4.599 -13.096 1.00 0.00 C ATOM 81 O ASP A 2 7.281 -3.526 -12.631 1.00 0.00 O ATOM 82 CB ASP A 2 5.827 -5.482 -14.534 1.00 0.00 C ATOM 83 CG ASP A 2 6.642 -5.410 -15.802 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.243 -6.436 -16.186 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.695 -4.325 -16.408 1.00 0.00 O ATOM 0 H ASP A 2 4.898 -5.646 -12.259 1.00 0.00 H new ATOM 0 HA ASP A 2 7.270 -6.656 -13.479 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.082 -6.273 -14.626 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.284 -4.547 -14.399 1.00 0.00 H new ATOM 90 N ALA A 3 8.929 -4.845 -13.417 1.00 0.00 N ATOM 91 CA ALA A 3 9.984 -3.860 -13.255 1.00 0.00 C ATOM 92 C ALA A 3 9.718 -2.626 -14.102 1.00 0.00 C ATOM 93 O ALA A 3 9.872 -1.513 -13.628 1.00 0.00 O ATOM 94 CB ALA A 3 11.335 -4.463 -13.597 1.00 0.00 C ATOM 0 H ALA A 3 9.249 -5.736 -13.798 1.00 0.00 H new ATOM 0 HA ALA A 3 9.998 -3.552 -12.210 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.112 -3.710 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.535 -5.306 -12.936 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.329 -4.807 -14.631 1.00 0.00 H new ATOM 100 N LYS A 4 9.311 -2.828 -15.346 1.00 0.00 N ATOM 101 CA LYS A 4 9.015 -1.714 -16.242 1.00 0.00 C ATOM 102 C LYS A 4 7.916 -0.838 -15.650 1.00 0.00 C ATOM 103 O LYS A 4 7.981 0.384 -15.720 1.00 0.00 O ATOM 104 CB LYS A 4 8.598 -2.241 -17.621 1.00 0.00 C ATOM 105 CG LYS A 4 8.185 -1.171 -18.624 1.00 0.00 C ATOM 106 CD LYS A 4 9.380 -0.469 -19.259 1.00 0.00 C ATOM 107 CE LYS A 4 9.936 0.645 -18.378 1.00 0.00 C ATOM 108 NZ LYS A 4 10.989 1.430 -19.077 1.00 0.00 N ATOM 0 H LYS A 4 9.177 -3.751 -15.760 1.00 0.00 H new ATOM 0 HA LYS A 4 9.914 -1.108 -16.359 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.427 -2.810 -18.041 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.768 -2.935 -17.492 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.578 -1.627 -19.407 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.558 -0.433 -18.124 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.165 -1.199 -19.455 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.084 -0.053 -20.222 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.126 1.310 -18.079 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.349 0.215 -17.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.342 2.177 -18.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.774 0.801 -19.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.589 1.862 -19.934 1.00 0.00 H new ATOM 122 N ALA A 5 6.925 -1.472 -15.034 1.00 0.00 N ATOM 123 CA ALA A 5 5.836 -0.744 -14.402 1.00 0.00 C ATOM 124 C ALA A 5 6.325 -0.077 -13.122 1.00 0.00 C ATOM 125 O ALA A 5 6.233 1.145 -12.968 1.00 0.00 O ATOM 126 CB ALA A 5 4.707 -1.714 -14.090 1.00 0.00 C ATOM 0 H ALA A 5 6.855 -2.487 -14.960 1.00 0.00 H new ATOM 0 HA ALA A 5 5.474 0.031 -15.077 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.886 -1.176 -13.616 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.355 -2.172 -15.014 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.070 -2.490 -13.416 1.00 0.00 H new ATOM 132 N ARG A 6 6.848 -0.891 -12.211 1.00 0.00 N ATOM 133 CA ARG A 6 7.343 -0.400 -10.925 1.00 0.00 C ATOM 134 C ARG A 6 8.422 0.680 -11.078 1.00 0.00 C ATOM 135 O ARG A 6 8.540 1.580 -10.245 1.00 0.00 O ATOM 136 CB ARG A 6 7.850 -1.579 -10.094 1.00 0.00 C ATOM 137 CG ARG A 6 8.173 -1.220 -8.658 1.00 0.00 C ATOM 138 CD ARG A 6 9.639 -0.894 -8.482 1.00 0.00 C ATOM 139 NE ARG A 6 10.471 -2.094 -8.598 1.00 0.00 N ATOM 140 CZ ARG A 6 11.795 -2.095 -8.521 1.00 0.00 C ATOM 141 NH1 ARG A 6 12.460 -0.965 -8.391 1.00 0.00 N ATOM 142 NH2 ARG A 6 12.461 -3.234 -8.611 1.00 0.00 N ATOM 0 H ARG A 6 6.941 -1.899 -12.338 1.00 0.00 H new ATOM 0 HA ARG A 6 6.513 0.080 -10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.097 -2.367 -10.101 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.743 -1.987 -10.567 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.570 -0.365 -8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.903 -2.050 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.944 -0.164 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.796 -0.433 -7.507 1.00 0.00 H new ATOM 0 HE ARG A 6 10.001 -2.987 -8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.957 -0.079 -8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.478 -0.976 -8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.956 -4.111 -8.740 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.479 -3.235 -8.552 1.00 0.00 H new ATOM 156 N ASN A 7 9.193 0.594 -12.146 1.00 0.00 N ATOM 157 CA ASN A 7 10.245 1.563 -12.407 1.00 0.00 C ATOM 158 C ASN A 7 9.677 2.860 -12.921 1.00 0.00 C ATOM 159 O ASN A 7 9.991 3.900 -12.387 1.00 0.00 O ATOM 160 CB ASN A 7 11.290 1.033 -13.390 1.00 0.00 C ATOM 161 CG ASN A 7 12.451 0.338 -12.707 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.109 0.910 -11.837 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.718 -0.891 -13.113 1.00 0.00 N ATOM 0 H ASN A 7 9.111 -0.139 -12.850 1.00 0.00 H new ATOM 0 HA ASN A 7 10.740 1.743 -11.453 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.812 0.337 -14.079 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.671 1.861 -13.988 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.497 -1.406 -12.702 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.145 -1.325 -13.837 1.00 0.00 H new ATOM 170 N CYS A 8 8.819 2.811 -13.925 1.00 0.00 N ATOM 171 CA CYS A 8 8.207 4.034 -14.447 1.00 0.00 C ATOM 172 C CYS A 8 7.533 4.807 -13.318 1.00 0.00 C ATOM 173 O CYS A 8 7.325 6.021 -13.406 1.00 0.00 O ATOM 174 CB CYS A 8 7.203 3.681 -15.549 1.00 0.00 C ATOM 175 SG CYS A 8 7.973 3.232 -17.120 1.00 0.00 S ATOM 0 H CYS A 8 8.529 1.953 -14.394 1.00 0.00 H new ATOM 0 HA CYS A 8 8.980 4.671 -14.877 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.582 2.852 -15.210 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.540 4.531 -15.710 1.00 0.00 H new ATOM 0 HG CYS A 8 9.221 2.929 -16.920 1.00 0.00 H new ATOM 181 N LEU A 9 7.245 4.085 -12.246 1.00 0.00 N ATOM 182 CA LEU A 9 6.640 4.641 -11.053 1.00 0.00 C ATOM 183 C LEU A 9 7.668 5.387 -10.195 1.00 0.00 C ATOM 184 O LEU A 9 7.540 6.589 -9.964 1.00 0.00 O ATOM 185 CB LEU A 9 6.006 3.495 -10.247 1.00 0.00 C ATOM 186 CG LEU A 9 5.981 3.676 -8.732 1.00 0.00 C ATOM 187 CD1 LEU A 9 4.919 4.677 -8.311 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.762 2.344 -8.045 1.00 0.00 C ATOM 0 H LEU A 9 7.429 3.084 -12.183 1.00 0.00 H new ATOM 0 HA LEU A 9 5.879 5.364 -11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.982 3.357 -10.593 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.546 2.576 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 9 6.949 4.073 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.928 4.782 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.127 5.643 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.939 4.325 -8.633 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.747 2.490 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.811 1.920 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.571 1.662 -8.308 1.00 0.00 H new ATOM 200 N LEU A 10 8.663 4.657 -9.697 1.00 0.00 N ATOM 201 CA LEU A 10 9.682 5.237 -8.814 1.00 0.00 C ATOM 202 C LEU A 10 10.765 6.023 -9.566 1.00 0.00 C ATOM 203 O LEU A 10 11.389 6.924 -9.000 1.00 0.00 O ATOM 204 CB LEU A 10 10.323 4.123 -7.991 1.00 0.00 C ATOM 205 CG LEU A 10 9.548 3.694 -6.747 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.034 2.337 -6.270 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.698 4.731 -5.647 1.00 0.00 C ATOM 0 H LEU A 10 8.789 3.663 -9.887 1.00 0.00 H new ATOM 0 HA LEU A 10 9.177 5.955 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.456 3.252 -8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.317 4.448 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 10 8.491 3.614 -7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.474 2.041 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.882 1.599 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.095 2.395 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.140 4.411 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.752 4.838 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.310 5.689 -5.994 1.00 0.00 H new ATOM 219 N GLN A 11 10.985 5.681 -10.827 1.00 0.00 N ATOM 220 CA GLN A 11 11.992 6.354 -11.652 1.00 0.00 C ATOM 221 C GLN A 11 11.554 7.785 -11.929 1.00 0.00 C ATOM 222 O GLN A 11 12.376 8.697 -12.004 1.00 0.00 O ATOM 223 CB GLN A 11 12.180 5.582 -12.958 1.00 0.00 C ATOM 224 CG GLN A 11 13.361 6.016 -13.808 1.00 0.00 C ATOM 225 CD GLN A 11 13.495 5.152 -15.049 1.00 0.00 C ATOM 226 OE1 GLN A 11 14.429 5.304 -15.833 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.538 4.251 -15.244 1.00 0.00 N ATOM 0 H GLN A 11 10.479 4.938 -11.308 1.00 0.00 H new ATOM 0 HA GLN A 11 12.945 6.381 -11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.294 4.524 -12.722 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.271 5.680 -13.552 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.238 7.059 -14.100 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.277 5.956 -13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.780 4.158 -14.568 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.561 3.653 -16.070 1.00 0.00 H new ATOM 236 N HIS A 12 10.241 7.982 -12.038 1.00 0.00 N ATOM 237 CA HIS A 12 9.687 9.305 -12.255 1.00 0.00 C ATOM 238 C HIS A 12 9.492 10.005 -10.925 1.00 0.00 C ATOM 239 O HIS A 12 8.507 10.692 -10.701 1.00 0.00 O ATOM 240 CB HIS A 12 8.385 9.245 -13.043 1.00 0.00 C ATOM 241 CG HIS A 12 8.618 9.412 -14.509 1.00 0.00 C ATOM 242 ND1 HIS A 12 9.224 10.526 -15.046 1.00 0.00 N ATOM 243 CD2 HIS A 12 8.356 8.592 -15.550 1.00 0.00 C ATOM 244 CE1 HIS A 12 9.323 10.383 -16.352 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.808 9.213 -16.688 1.00 0.00 N ATOM 0 H HIS A 12 9.546 7.238 -11.979 1.00 0.00 H new ATOM 0 HA HIS A 12 10.394 9.880 -12.854 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.892 8.290 -12.859 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.710 10.025 -12.691 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.546 11.335 -14.515 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.878 7.625 -15.497 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.753 11.102 -17.034 1.00 0.00 H new ATOM 254 N ARG A 13 10.479 9.805 -10.068 1.00 0.00 N ATOM 255 CA ARG A 13 10.551 10.386 -8.723 1.00 0.00 C ATOM 256 C ARG A 13 10.310 11.897 -8.754 1.00 0.00 C ATOM 257 O ARG A 13 9.769 12.462 -7.801 1.00 0.00 O ATOM 258 CB ARG A 13 11.935 10.099 -8.128 1.00 0.00 C ATOM 259 CG ARG A 13 12.179 10.681 -6.742 1.00 0.00 C ATOM 260 CD ARG A 13 11.497 9.864 -5.650 1.00 0.00 C ATOM 261 NE ARG A 13 12.026 10.191 -4.326 1.00 0.00 N ATOM 262 CZ ARG A 13 13.272 9.911 -3.928 1.00 0.00 C ATOM 263 NH1 ARG A 13 14.088 9.194 -4.692 1.00 0.00 N ATOM 264 NH2 ARG A 13 13.699 10.321 -2.744 1.00 0.00 N ATOM 0 H ARG A 13 11.282 9.216 -10.289 1.00 0.00 H new ATOM 0 HA ARG A 13 9.772 9.934 -8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.076 9.019 -8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.693 10.490 -8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.251 10.720 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.812 11.707 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.423 10.052 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.639 8.801 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 13 11.407 10.661 -3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.767 8.848 -5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.035 8.989 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.078 10.851 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.649 10.106 -2.442 1.00 0.00 H new ATOM 278 N GLU A 14 10.693 12.534 -9.860 1.00 0.00 N ATOM 279 CA GLU A 14 10.502 13.970 -10.028 1.00 0.00 C ATOM 280 C GLU A 14 9.010 14.298 -10.007 1.00 0.00 C ATOM 281 O GLU A 14 8.599 15.393 -9.618 1.00 0.00 O ATOM 282 CB GLU A 14 11.137 14.467 -11.334 1.00 0.00 C ATOM 283 CG GLU A 14 11.863 13.391 -12.132 1.00 0.00 C ATOM 284 CD GLU A 14 11.006 12.780 -13.226 1.00 0.00 C ATOM 285 OE1 GLU A 14 9.913 12.263 -12.918 1.00 0.00 O ATOM 286 OE2 GLU A 14 11.423 12.808 -14.400 1.00 0.00 O ATOM 0 H GLU A 14 11.139 12.074 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 14 10.996 14.481 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.358 14.902 -11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.841 15.266 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.759 13.821 -12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.191 12.604 -11.454 1.00 0.00 H new ATOM 293 N ALA A 15 8.204 13.321 -10.400 1.00 0.00 N ATOM 294 CA ALA A 15 6.761 13.468 -10.403 1.00 0.00 C ATOM 295 C ALA A 15 6.156 12.675 -9.244 1.00 0.00 C ATOM 296 O ALA A 15 5.140 13.069 -8.672 1.00 0.00 O ATOM 297 CB ALA A 15 6.197 13.023 -11.742 1.00 0.00 C ATOM 0 H ALA A 15 8.533 12.411 -10.723 1.00 0.00 H new ATOM 0 HA ALA A 15 6.499 14.517 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.113 13.137 -11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.622 13.636 -12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.451 11.977 -11.914 1.00 0.00 H new ATOM 303 N LEU A 16 6.816 11.569 -8.895 1.00 0.00 N ATOM 304 CA LEU A 16 6.406 10.693 -7.793 1.00 0.00 C ATOM 305 C LEU A 16 6.201 11.492 -6.515 1.00 0.00 C ATOM 306 O LEU A 16 5.084 11.721 -6.092 1.00 0.00 O ATOM 307 CB LEU A 16 7.475 9.615 -7.574 1.00 0.00 C ATOM 308 CG LEU A 16 7.171 8.587 -6.476 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.559 7.197 -6.933 1.00 0.00 C ATOM 310 CD2 LEU A 16 7.910 8.926 -5.186 1.00 0.00 C ATOM 0 H LEU A 16 7.659 11.252 -9.374 1.00 0.00 H new ATOM 0 HA LEU A 16 5.459 10.221 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.625 9.082 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.417 10.108 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 16 6.099 8.617 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.337 6.479 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.994 6.937 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.625 7.172 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.676 8.181 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.984 8.929 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.599 9.911 -4.837 1.00 0.00 H new ATOM 322 N GLU A 17 7.295 11.906 -5.910 1.00 0.00 N ATOM 323 CA GLU A 17 7.264 12.665 -4.657 1.00 0.00 C ATOM 324 C GLU A 17 6.407 13.948 -4.749 1.00 0.00 C ATOM 325 O GLU A 17 6.042 14.531 -3.727 1.00 0.00 O ATOM 326 CB GLU A 17 8.699 13.046 -4.278 1.00 0.00 C ATOM 327 CG GLU A 17 8.946 13.193 -2.787 1.00 0.00 C ATOM 328 CD GLU A 17 9.271 11.872 -2.123 1.00 0.00 C ATOM 329 OE1 GLU A 17 10.234 11.205 -2.556 1.00 0.00 O ATOM 330 OE2 GLU A 17 8.579 11.500 -1.157 1.00 0.00 O ATOM 0 H GLU A 17 8.235 11.731 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 17 6.806 12.029 -3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.377 12.289 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.952 13.986 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.768 13.890 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.063 13.626 -2.316 1.00 0.00 H new ATOM 337 N LYS A 18 6.103 14.391 -5.965 1.00 0.00 N ATOM 338 CA LYS A 18 5.317 15.605 -6.163 1.00 0.00 C ATOM 339 C LYS A 18 3.806 15.340 -6.105 1.00 0.00 C ATOM 340 O LYS A 18 3.050 16.126 -5.528 1.00 0.00 O ATOM 341 CB LYS A 18 5.673 16.232 -7.516 1.00 0.00 C ATOM 342 CG LYS A 18 4.836 17.454 -7.864 1.00 0.00 C ATOM 343 CD LYS A 18 5.028 17.879 -9.314 1.00 0.00 C ATOM 344 CE LYS A 18 4.114 19.039 -9.685 1.00 0.00 C ATOM 345 NZ LYS A 18 4.131 19.304 -11.149 1.00 0.00 N ATOM 0 H LYS A 18 6.389 13.928 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 18 5.562 16.288 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.726 16.514 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.548 15.483 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.783 17.236 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.106 18.279 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.067 18.168 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.828 17.033 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.095 18.816 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.427 19.935 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.498 20.100 -11.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.099 19.541 -11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.809 18.457 -11.659 1.00 0.00 H new ATOM 359 N ASP A 19 3.361 14.263 -6.737 1.00 0.00 N ATOM 360 CA ASP A 19 1.933 13.950 -6.787 1.00 0.00 C ATOM 361 C ASP A 19 1.553 12.788 -5.872 1.00 0.00 C ATOM 362 O ASP A 19 0.436 12.735 -5.354 1.00 0.00 O ATOM 363 CB ASP A 19 1.502 13.632 -8.223 1.00 0.00 C ATOM 364 CG ASP A 19 1.587 14.835 -9.135 1.00 0.00 C ATOM 365 OD1 ASP A 19 2.706 15.234 -9.513 1.00 0.00 O ATOM 366 OD2 ASP A 19 0.527 15.401 -9.469 1.00 0.00 O ATOM 0 H ASP A 19 3.960 13.594 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 19 1.409 14.837 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.131 12.835 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.479 13.257 -8.217 1.00 0.00 H new ATOM 371 N ILE A 20 2.478 11.863 -5.679 1.00 0.00 N ATOM 372 CA ILE A 20 2.248 10.700 -4.838 1.00 0.00 C ATOM 373 C ILE A 20 1.913 11.122 -3.400 1.00 0.00 C ATOM 374 O ILE A 20 2.565 11.998 -2.820 1.00 0.00 O ATOM 375 CB ILE A 20 3.470 9.736 -4.907 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.049 8.416 -5.560 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.113 9.487 -3.549 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.180 7.421 -5.726 1.00 0.00 C ATOM 0 H ILE A 20 3.407 11.896 -6.099 1.00 0.00 H new ATOM 0 HA ILE A 20 1.382 10.155 -5.213 1.00 0.00 H new ATOM 0 HB ILE A 20 4.232 10.222 -5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.263 7.960 -4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.619 8.628 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.958 8.808 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.462 10.432 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.380 9.043 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.800 6.513 -6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.958 7.856 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.596 7.177 -4.749 1.00 0.00 H new ATOM 390 N LYS A 21 0.873 10.515 -2.844 1.00 0.00 N ATOM 391 CA LYS A 21 0.423 10.829 -1.494 1.00 0.00 C ATOM 392 C LYS A 21 0.088 9.522 -0.772 1.00 0.00 C ATOM 393 O LYS A 21 -0.030 8.483 -1.419 1.00 0.00 O ATOM 394 CB LYS A 21 -0.788 11.766 -1.558 1.00 0.00 C ATOM 395 CG LYS A 21 -0.927 12.670 -0.340 1.00 0.00 C ATOM 396 CD LYS A 21 -1.986 13.744 -0.535 1.00 0.00 C ATOM 397 CE LYS A 21 -1.613 14.695 -1.661 1.00 0.00 C ATOM 398 NZ LYS A 21 -0.327 15.398 -1.404 1.00 0.00 N ATOM 0 H LYS A 21 0.321 9.796 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 21 1.208 11.342 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.711 12.385 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.694 11.168 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.182 12.066 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.032 13.143 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.945 13.275 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.111 14.306 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.539 14.138 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.407 15.430 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.230 16.196 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.315 15.754 -0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.464 14.737 -1.541 1.00 0.00 H new ATOM 412 N THR A 22 -0.029 9.555 0.549 1.00 0.00 N ATOM 413 CA THR A 22 -0.299 8.332 1.306 1.00 0.00 C ATOM 414 C THR A 22 -1.601 8.378 2.122 1.00 0.00 C ATOM 415 O THR A 22 -1.927 7.417 2.815 1.00 0.00 O ATOM 416 CB THR A 22 0.877 8.017 2.258 1.00 0.00 C ATOM 417 OG1 THR A 22 0.616 6.825 3.004 1.00 0.00 O ATOM 418 CG2 THR A 22 1.114 9.168 3.222 1.00 0.00 C ATOM 0 H THR A 22 0.057 10.399 1.115 1.00 0.00 H new ATOM 0 HA THR A 22 -0.416 7.547 0.559 1.00 0.00 H new ATOM 0 HB THR A 22 1.768 7.873 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.342 6.621 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.946 8.924 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.350 10.071 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.216 9.335 3.817 1.00 0.00 H new ATOM 426 N SER A 23 -2.337 9.470 2.078 1.00 0.00 N ATOM 427 CA SER A 23 -3.564 9.556 2.857 1.00 0.00 C ATOM 428 C SER A 23 -4.781 8.988 2.116 1.00 0.00 C ATOM 429 O SER A 23 -5.167 7.836 2.330 1.00 0.00 O ATOM 430 CB SER A 23 -3.806 11.004 3.257 1.00 0.00 C ATOM 431 OG SER A 23 -2.685 11.526 3.958 1.00 0.00 O ATOM 0 H SER A 23 -2.117 10.298 1.524 1.00 0.00 H new ATOM 0 HA SER A 23 -3.435 8.940 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.997 11.605 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.696 11.070 3.883 1.00 0.00 H new ATOM 0 HG SER A 23 -2.859 12.458 4.205 1.00 0.00 H new ATOM 437 N TYR A 24 -5.383 9.799 1.255 1.00 0.00 N ATOM 438 CA TYR A 24 -6.561 9.398 0.492 1.00 0.00 C ATOM 439 C TYR A 24 -6.263 8.222 -0.432 1.00 0.00 C ATOM 440 O TYR A 24 -7.055 7.282 -0.532 1.00 0.00 O ATOM 441 CB TYR A 24 -7.053 10.576 -0.337 1.00 0.00 C ATOM 442 CG TYR A 24 -7.781 11.643 0.461 1.00 0.00 C ATOM 443 CD1 TYR A 24 -7.264 12.133 1.653 1.00 0.00 C ATOM 444 CD2 TYR A 24 -8.982 12.166 0.007 1.00 0.00 C ATOM 445 CE1 TYR A 24 -7.925 13.110 2.373 1.00 0.00 C ATOM 446 CE2 TYR A 24 -9.651 13.144 0.719 1.00 0.00 C ATOM 447 CZ TYR A 24 -9.120 13.613 1.902 1.00 0.00 C ATOM 448 OH TYR A 24 -9.792 14.586 2.619 1.00 0.00 O ATOM 0 H TYR A 24 -5.070 10.751 1.065 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.328 9.085 1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.200 11.033 -0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.719 10.204 -1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.328 11.743 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.402 11.803 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.508 13.478 3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.586 13.539 0.350 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.615 14.830 2.147 1.00 0.00 H new ATOM 458 N ILE A 25 -5.127 8.283 -1.115 1.00 0.00 N ATOM 459 CA ILE A 25 -4.726 7.226 -2.043 1.00 0.00 C ATOM 460 C ILE A 25 -4.701 5.868 -1.343 1.00 0.00 C ATOM 461 O ILE A 25 -5.218 4.873 -1.852 1.00 0.00 O ATOM 462 CB ILE A 25 -3.340 7.528 -2.647 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.396 8.809 -3.486 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.846 6.358 -3.489 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.088 9.143 -4.175 1.00 0.00 C ATOM 0 H ILE A 25 -4.463 9.054 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.461 7.192 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.634 7.675 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.177 8.706 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.681 9.642 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.867 6.596 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.769 5.468 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.549 6.172 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.204 10.062 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.307 9.279 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.811 8.329 -4.844 1.00 0.00 H new ATOM 477 N MET A 26 -4.112 5.843 -0.167 1.00 0.00 N ATOM 478 CA MET A 26 -4.020 4.627 0.614 1.00 0.00 C ATOM 479 C MET A 26 -5.358 4.260 1.241 1.00 0.00 C ATOM 480 O MET A 26 -5.571 3.111 1.598 1.00 0.00 O ATOM 481 CB MET A 26 -2.963 4.779 1.716 1.00 0.00 C ATOM 482 CG MET A 26 -2.813 3.548 2.606 1.00 0.00 C ATOM 483 SD MET A 26 -1.591 3.758 3.914 1.00 0.00 S ATOM 484 CE MET A 26 -2.375 5.005 4.928 1.00 0.00 C ATOM 0 H MET A 26 -3.686 6.659 0.273 1.00 0.00 H new ATOM 0 HA MET A 26 -3.729 3.825 -0.065 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.001 5.000 1.254 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.222 5.635 2.338 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.778 3.313 3.055 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.532 2.694 1.989 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.860 5.957 4.798 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.418 5.113 4.630 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.326 4.706 5.975 1.00 0.00 H new ATOM 494 N ASP A 27 -6.274 5.217 1.365 1.00 0.00 N ATOM 495 CA ASP A 27 -7.565 4.902 1.974 1.00 0.00 C ATOM 496 C ASP A 27 -8.367 4.035 1.025 1.00 0.00 C ATOM 497 O ASP A 27 -9.095 3.136 1.435 1.00 0.00 O ATOM 498 CB ASP A 27 -8.332 6.183 2.313 1.00 0.00 C ATOM 499 CG ASP A 27 -9.330 5.999 3.437 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.150 5.063 3.369 1.00 0.00 O ATOM 501 OD2 ASP A 27 -9.310 6.806 4.394 1.00 0.00 O ATOM 0 H ASP A 27 -6.156 6.184 1.064 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.398 4.359 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.622 6.962 2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.856 6.531 1.423 1.00 0.00 H new ATOM 506 N HIS A 28 -8.202 4.307 -0.252 1.00 0.00 N ATOM 507 CA HIS A 28 -8.887 3.555 -1.283 1.00 0.00 C ATOM 508 C HIS A 28 -8.220 2.205 -1.499 1.00 0.00 C ATOM 509 O HIS A 28 -8.867 1.258 -1.920 1.00 0.00 O ATOM 510 CB HIS A 28 -8.935 4.376 -2.562 1.00 0.00 C ATOM 511 CG HIS A 28 -9.854 5.547 -2.429 1.00 0.00 C ATOM 512 ND1 HIS A 28 -11.220 5.416 -2.339 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.598 6.865 -2.294 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.760 6.602 -2.148 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.799 7.497 -2.117 1.00 0.00 N ATOM 0 H HIS A 28 -7.595 5.048 -0.603 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.911 3.355 -0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.932 4.726 -2.809 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.265 3.746 -3.388 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.626 7.334 -2.321 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.815 6.805 -2.036 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.927 8.500 -1.983 1.00 0.00 H new ATOM 524 N MET A 29 -6.930 2.114 -1.180 1.00 0.00 N ATOM 525 CA MET A 29 -6.191 0.855 -1.327 1.00 0.00 C ATOM 526 C MET A 29 -6.530 -0.137 -0.213 1.00 0.00 C ATOM 527 O MET A 29 -6.631 -1.342 -0.451 1.00 0.00 O ATOM 528 CB MET A 29 -4.683 1.093 -1.335 1.00 0.00 C ATOM 529 CG MET A 29 -4.166 1.717 -2.615 1.00 0.00 C ATOM 530 SD MET A 29 -2.415 1.372 -2.864 1.00 0.00 S ATOM 531 CE MET A 29 -2.472 -0.386 -3.221 1.00 0.00 C ATOM 0 H MET A 29 -6.375 2.890 -0.820 1.00 0.00 H new ATOM 0 HA MET A 29 -6.496 0.430 -2.283 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.423 1.739 -0.497 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.174 0.142 -1.175 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.736 1.336 -3.462 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.324 2.795 -2.584 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.509 -0.837 -2.983 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.251 -0.854 -2.619 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.691 -0.536 -4.278 1.00 0.00 H new ATOM 541 N ILE A 30 -6.703 0.368 1.002 1.00 0.00 N ATOM 542 CA ILE A 30 -7.029 -0.483 2.143 1.00 0.00 C ATOM 543 C ILE A 30 -8.483 -0.920 2.048 1.00 0.00 C ATOM 544 O ILE A 30 -8.805 -2.091 2.243 1.00 0.00 O ATOM 545 CB ILE A 30 -6.813 0.252 3.475 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.455 0.943 3.489 1.00 0.00 C ATOM 547 CG2 ILE A 30 -6.904 -0.711 4.650 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.209 1.770 4.731 1.00 0.00 C ATOM 0 H ILE A 30 -6.624 1.360 1.224 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.367 -1.348 2.117 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.599 1.000 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.672 0.189 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.375 1.586 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.747 -0.165 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.890 -1.176 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.140 -1.482 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.223 2.232 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.970 2.547 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.256 1.128 5.611 1.00 0.00 H new ATOM 560 N SER A 31 -9.355 0.030 1.709 1.00 0.00 N ATOM 561 CA SER A 31 -10.772 -0.266 1.544 1.00 0.00 C ATOM 562 C SER A 31 -10.959 -1.214 0.359 1.00 0.00 C ATOM 563 O SER A 31 -11.908 -2.002 0.318 1.00 0.00 O ATOM 564 CB SER A 31 -11.576 1.018 1.337 1.00 0.00 C ATOM 565 OG SER A 31 -11.573 1.815 2.510 1.00 0.00 O ATOM 0 H SER A 31 -9.104 1.005 1.545 1.00 0.00 H new ATOM 0 HA SER A 31 -11.141 -0.747 2.450 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.155 1.585 0.507 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.602 0.769 1.065 1.00 0.00 H new ATOM 0 HG SER A 31 -10.809 2.428 2.487 1.00 0.00 H new ATOM 571 N ASP A 32 -10.014 -1.164 -0.581 1.00 0.00 N ATOM 572 CA ASP A 32 -10.036 -2.043 -1.740 1.00 0.00 C ATOM 573 C ASP A 32 -9.745 -3.461 -1.261 1.00 0.00 C ATOM 574 O ASP A 32 -10.228 -4.442 -1.830 1.00 0.00 O ATOM 575 CB ASP A 32 -8.986 -1.607 -2.773 1.00 0.00 C ATOM 576 CG ASP A 32 -9.247 -2.163 -4.159 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.329 -2.736 -4.382 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.377 -1.999 -5.042 1.00 0.00 O ATOM 0 H ASP A 32 -9.223 -0.520 -0.558 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.013 -1.997 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.965 -0.518 -2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.000 -1.930 -2.438 1.00 0.00 H new ATOM 583 N GLY A 33 -8.975 -3.559 -0.175 1.00 0.00 N ATOM 584 CA GLY A 33 -8.669 -4.860 0.385 1.00 0.00 C ATOM 585 C GLY A 33 -7.283 -5.355 0.027 1.00 0.00 C ATOM 586 O GLY A 33 -6.867 -6.422 0.474 1.00 0.00 O ATOM 0 H GLY A 33 -8.564 -2.767 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.761 -4.812 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.407 -5.582 0.034 1.00 0.00 H new ATOM 590 N PHE A 34 -6.558 -4.582 -0.769 1.00 0.00 N ATOM 591 CA PHE A 34 -5.212 -4.971 -1.160 1.00 0.00 C ATOM 592 C PHE A 34 -4.243 -4.670 -0.031 1.00 0.00 C ATOM 593 O PHE A 34 -3.372 -5.482 0.298 1.00 0.00 O ATOM 594 CB PHE A 34 -4.792 -4.262 -2.449 1.00 0.00 C ATOM 595 CG PHE A 34 -5.538 -4.745 -3.665 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.919 -4.698 -3.721 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.852 -5.247 -4.750 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.597 -5.141 -4.834 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.525 -5.691 -5.870 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.900 -5.641 -5.912 1.00 0.00 C ATOM 0 H PHE A 34 -6.875 -3.692 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.198 -6.043 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.953 -3.190 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.723 -4.409 -2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.473 -4.308 -2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.773 -5.293 -4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.676 -5.097 -4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.973 -6.078 -6.714 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.430 -5.992 -6.785 1.00 0.00 H new ATOM 610 N LEU A 35 -4.432 -3.521 0.598 1.00 0.00 N ATOM 611 CA LEU A 35 -3.610 -3.150 1.728 1.00 0.00 C ATOM 612 C LEU A 35 -4.260 -3.682 2.995 1.00 0.00 C ATOM 613 O LEU A 35 -5.406 -3.355 3.310 1.00 0.00 O ATOM 614 CB LEU A 35 -3.407 -1.630 1.790 1.00 0.00 C ATOM 615 CG LEU A 35 -2.008 -1.152 1.390 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.624 -1.666 0.010 1.00 0.00 C ATOM 617 CD2 LEU A 35 -1.932 0.363 1.436 1.00 0.00 C ATOM 0 H LEU A 35 -5.144 -2.836 0.344 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.619 -3.590 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.139 -1.153 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.615 -1.291 2.805 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.295 -1.558 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.626 -1.310 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.631 -2.756 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.340 -1.301 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.931 0.686 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.662 0.785 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.148 0.708 2.447 1.00 0.00 H new ATOM 629 N THR A 36 -3.540 -4.537 3.690 1.00 0.00 N ATOM 630 CA THR A 36 -4.046 -5.153 4.903 1.00 0.00 C ATOM 631 C THR A 36 -3.834 -4.233 6.100 1.00 0.00 C ATOM 632 O THR A 36 -3.085 -3.263 6.008 1.00 0.00 O ATOM 633 CB THR A 36 -3.333 -6.499 5.137 1.00 0.00 C ATOM 634 OG1 THR A 36 -3.108 -7.147 3.874 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.159 -7.417 6.018 1.00 0.00 C ATOM 0 H THR A 36 -2.595 -4.824 3.435 1.00 0.00 H new ATOM 0 HA THR A 36 -5.116 -5.327 4.789 1.00 0.00 H new ATOM 0 HB THR A 36 -2.386 -6.296 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.147 -7.165 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.627 -8.357 6.163 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.325 -6.941 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.119 -7.613 5.540 1.00 0.00 H new ATOM 643 N ILE A 37 -4.503 -4.532 7.208 1.00 0.00 N ATOM 644 CA ILE A 37 -4.390 -3.731 8.420 1.00 0.00 C ATOM 645 C ILE A 37 -2.920 -3.561 8.816 1.00 0.00 C ATOM 646 O ILE A 37 -2.501 -2.480 9.207 1.00 0.00 O ATOM 647 CB ILE A 37 -5.171 -4.371 9.593 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.653 -4.497 9.242 1.00 0.00 C ATOM 649 CG2 ILE A 37 -4.994 -3.567 10.876 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.340 -3.178 8.958 1.00 0.00 C ATOM 0 H ILE A 37 -5.134 -5.329 7.291 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.823 -2.753 8.208 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.765 -5.368 9.763 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.754 -5.141 8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.169 -4.992 10.065 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.554 -4.041 11.682 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.937 -3.532 11.140 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.364 -2.553 10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.388 -3.358 8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.274 -2.537 9.837 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.853 -2.688 8.114 1.00 0.00 H new ATOM 662 N SER A 38 -2.138 -4.632 8.686 1.00 0.00 N ATOM 663 CA SER A 38 -0.715 -4.585 9.014 1.00 0.00 C ATOM 664 C SER A 38 0.039 -3.698 8.019 1.00 0.00 C ATOM 665 O SER A 38 1.008 -3.033 8.381 1.00 0.00 O ATOM 666 CB SER A 38 -0.124 -5.993 9.038 1.00 0.00 C ATOM 667 OG SER A 38 -0.768 -6.784 10.029 1.00 0.00 O ATOM 0 H SER A 38 -2.465 -5.540 8.357 1.00 0.00 H new ATOM 0 HA SER A 38 -0.605 -4.151 10.008 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.239 -6.459 8.060 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.945 -5.942 9.243 1.00 0.00 H new ATOM 0 HG SER A 38 -0.380 -7.684 10.032 1.00 0.00 H new ATOM 673 N GLU A 39 -0.443 -3.651 6.778 1.00 0.00 N ATOM 674 CA GLU A 39 0.157 -2.796 5.766 1.00 0.00 C ATOM 675 C GLU A 39 -0.138 -1.347 6.131 1.00 0.00 C ATOM 676 O GLU A 39 0.754 -0.499 6.147 1.00 0.00 O ATOM 677 CB GLU A 39 -0.383 -3.107 4.363 1.00 0.00 C ATOM 678 CG GLU A 39 0.336 -4.243 3.647 1.00 0.00 C ATOM 679 CD GLU A 39 -0.282 -5.598 3.914 1.00 0.00 C ATOM 680 OE1 GLU A 39 -0.262 -6.055 5.073 1.00 0.00 O ATOM 681 OE2 GLU A 39 -0.802 -6.216 2.958 1.00 0.00 O ATOM 0 H GLU A 39 -1.244 -4.194 6.454 1.00 0.00 H new ATOM 0 HA GLU A 39 1.232 -2.976 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.441 -3.356 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.312 -2.207 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.327 -4.051 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.380 -4.258 3.960 1.00 0.00 H new ATOM 688 N GLU A 40 -1.405 -1.097 6.457 1.00 0.00 N ATOM 689 CA GLU A 40 -1.868 0.222 6.871 1.00 0.00 C ATOM 690 C GLU A 40 -1.113 0.678 8.115 1.00 0.00 C ATOM 691 O GLU A 40 -0.560 1.777 8.158 1.00 0.00 O ATOM 692 CB GLU A 40 -3.369 0.161 7.199 1.00 0.00 C ATOM 693 CG GLU A 40 -3.890 1.399 7.917 1.00 0.00 C ATOM 694 CD GLU A 40 -5.290 1.226 8.466 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.505 0.305 9.285 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.174 2.021 8.097 1.00 0.00 O ATOM 0 H GLU A 40 -2.139 -1.806 6.441 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.690 0.926 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.929 0.026 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.561 -0.715 7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.214 1.648 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.879 2.243 7.227 1.00 0.00 H new ATOM 703 N GLU A 41 -1.133 -0.194 9.122 1.00 0.00 N ATOM 704 CA GLU A 41 -0.510 0.028 10.421 1.00 0.00 C ATOM 705 C GLU A 41 0.803 0.808 10.352 1.00 0.00 C ATOM 706 O GLU A 41 0.895 1.902 10.892 1.00 0.00 O ATOM 707 CB GLU A 41 -0.279 -1.332 11.094 1.00 0.00 C ATOM 708 CG GLU A 41 0.339 -1.253 12.480 1.00 0.00 C ATOM 709 CD GLU A 41 -0.598 -0.696 13.534 1.00 0.00 C ATOM 710 OE1 GLU A 41 -1.784 -0.462 13.230 1.00 0.00 O ATOM 711 OE2 GLU A 41 -0.147 -0.505 14.686 1.00 0.00 O ATOM 0 H GLU A 41 -1.597 -1.100 9.052 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.192 0.647 11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.233 -1.855 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.368 -1.934 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.660 -2.250 12.782 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.232 -0.630 12.435 1.00 0.00 H new ATOM 718 N LYS A 42 1.825 0.230 9.735 1.00 0.00 N ATOM 719 CA LYS A 42 3.140 0.880 9.675 1.00 0.00 C ATOM 720 C LYS A 42 3.128 2.223 8.917 1.00 0.00 C ATOM 721 O LYS A 42 3.672 3.220 9.406 1.00 0.00 O ATOM 722 CB LYS A 42 4.172 -0.082 9.073 1.00 0.00 C ATOM 723 CG LYS A 42 5.618 0.362 9.257 1.00 0.00 C ATOM 724 CD LYS A 42 6.573 -0.821 9.261 1.00 0.00 C ATOM 725 CE LYS A 42 6.323 -1.724 10.466 1.00 0.00 C ATOM 726 NZ LYS A 42 7.236 -2.896 10.489 1.00 0.00 N ATOM 0 H LYS A 42 1.777 -0.678 9.272 1.00 0.00 H new ATOM 0 HA LYS A 42 3.421 1.122 10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.044 -1.065 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.970 -0.194 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.893 1.049 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.714 0.910 10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.451 -1.394 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.602 -0.462 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.451 -1.148 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.290 -2.071 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.030 -3.480 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.096 -3.462 9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.222 -2.567 10.531 1.00 0.00 H new ATOM 740 N VAL A 43 2.517 2.249 7.735 1.00 0.00 N ATOM 741 CA VAL A 43 2.448 3.474 6.916 1.00 0.00 C ATOM 742 C VAL A 43 1.723 4.593 7.676 1.00 0.00 C ATOM 743 O VAL A 43 2.045 5.777 7.542 1.00 0.00 O ATOM 744 CB VAL A 43 1.694 3.198 5.595 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.706 4.423 4.702 1.00 0.00 C ATOM 746 CG2 VAL A 43 2.289 2.004 4.869 1.00 0.00 C ATOM 0 H VAL A 43 2.060 1.439 7.316 1.00 0.00 H new ATOM 0 HA VAL A 43 3.469 3.787 6.697 1.00 0.00 H new ATOM 0 HB VAL A 43 0.659 2.964 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.170 4.205 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.221 5.253 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.736 4.693 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.741 1.831 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.336 2.203 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.218 1.120 5.503 1.00 0.00 H new ATOM 756 N ARG A 44 0.717 4.199 8.445 1.00 0.00 N ATOM 757 CA ARG A 44 -0.101 5.137 9.209 1.00 0.00 C ATOM 758 C ARG A 44 0.506 5.474 10.583 1.00 0.00 C ATOM 759 O ARG A 44 0.255 6.551 11.122 1.00 0.00 O ATOM 760 CB ARG A 44 -1.502 4.545 9.388 1.00 0.00 C ATOM 761 CG ARG A 44 -2.637 5.509 9.078 1.00 0.00 C ATOM 762 CD ARG A 44 -3.869 4.756 8.605 1.00 0.00 C ATOM 763 NE ARG A 44 -5.024 5.624 8.389 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.828 6.055 9.357 1.00 0.00 C ATOM 765 NH1 ARG A 44 -5.635 5.680 10.609 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.860 6.821 9.074 1.00 0.00 N ATOM 0 H ARG A 44 0.444 3.223 8.558 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.147 6.071 8.648 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.598 3.671 8.744 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.608 4.197 10.416 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.880 6.091 9.967 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.321 6.216 8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.635 4.235 7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.127 3.995 9.341 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.227 5.919 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.864 5.054 10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.257 6.016 11.344 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.047 7.088 8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.473 7.148 9.821 1.00 0.00 H new ATOM 780 N ASN A 45 1.284 4.552 11.163 1.00 0.00 N ATOM 781 CA ASN A 45 1.880 4.781 12.478 1.00 0.00 C ATOM 782 C ASN A 45 2.927 5.882 12.460 1.00 0.00 C ATOM 783 O ASN A 45 2.990 6.695 13.387 1.00 0.00 O ATOM 784 CB ASN A 45 2.506 3.507 13.041 1.00 0.00 C ATOM 785 CG ASN A 45 1.515 2.666 13.823 1.00 0.00 C ATOM 786 OD1 ASN A 45 0.633 3.187 14.504 1.00 0.00 O ATOM 787 ND2 ASN A 45 1.687 1.359 13.769 1.00 0.00 N ATOM 0 H ASN A 45 1.512 3.650 10.745 1.00 0.00 H new ATOM 0 HA ASN A 45 1.060 5.097 13.122 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.913 2.914 12.222 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.342 3.773 13.688 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.076 0.742 14.304 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.431 0.966 13.192 1.00 0.00 H new ATOM 794 N GLU A 46 3.753 5.914 11.416 1.00 0.00 N ATOM 795 CA GLU A 46 4.786 6.940 11.320 1.00 0.00 C ATOM 796 C GLU A 46 4.129 8.325 11.257 1.00 0.00 C ATOM 797 O GLU A 46 2.961 8.435 10.892 1.00 0.00 O ATOM 798 CB GLU A 46 5.699 6.660 10.133 1.00 0.00 C ATOM 799 CG GLU A 46 6.425 5.322 10.253 1.00 0.00 C ATOM 800 CD GLU A 46 7.168 5.150 11.572 1.00 0.00 C ATOM 801 OE1 GLU A 46 6.516 4.946 12.617 1.00 0.00 O ATOM 802 OE2 GLU A 46 8.416 5.219 11.577 1.00 0.00 O ATOM 0 H GLU A 46 3.728 5.254 10.639 1.00 0.00 H new ATOM 0 HA GLU A 46 5.418 6.921 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.110 6.668 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.433 7.461 10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.701 4.514 10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.134 5.227 9.431 1.00 0.00 H new ATOM 809 N PRO A 47 4.814 9.390 11.717 1.00 0.00 N ATOM 810 CA PRO A 47 4.226 10.725 11.812 1.00 0.00 C ATOM 811 C PRO A 47 4.520 11.729 10.686 1.00 0.00 C ATOM 812 O PRO A 47 3.895 12.793 10.661 1.00 0.00 O ATOM 813 CB PRO A 47 4.828 11.242 13.129 1.00 0.00 C ATOM 814 CG PRO A 47 6.025 10.378 13.423 1.00 0.00 C ATOM 815 CD PRO A 47 6.156 9.384 12.295 1.00 0.00 C ATOM 0 HA PRO A 47 3.141 10.641 11.747 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.119 12.289 13.038 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.099 11.183 13.938 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.926 10.986 13.504 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.901 9.863 14.375 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.912 9.688 11.571 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.439 8.395 12.655 1.00 0.00 H new ATOM 823 N THR A 48 5.448 11.464 9.774 1.00 0.00 N ATOM 824 CA THR A 48 5.721 12.446 8.738 1.00 0.00 C ATOM 825 C THR A 48 5.593 11.839 7.359 1.00 0.00 C ATOM 826 O THR A 48 5.597 10.619 7.224 1.00 0.00 O ATOM 827 CB THR A 48 7.135 13.030 8.912 1.00 0.00 C ATOM 828 OG1 THR A 48 8.050 11.971 9.229 1.00 0.00 O ATOM 829 CG2 THR A 48 7.164 14.071 10.018 1.00 0.00 C ATOM 0 H THR A 48 6.004 10.610 9.730 1.00 0.00 H new ATOM 0 HA THR A 48 4.984 13.243 8.836 1.00 0.00 H new ATOM 0 HB THR A 48 7.427 13.512 7.979 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.951 12.339 9.339 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.175 14.467 10.119 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.480 14.883 9.772 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.859 13.612 10.958 1.00 0.00 H new ATOM 837 N GLN A 49 5.525 12.688 6.328 1.00 0.00 N ATOM 838 CA GLN A 49 5.440 12.227 4.947 1.00 0.00 C ATOM 839 C GLN A 49 6.642 11.342 4.655 1.00 0.00 C ATOM 840 O GLN A 49 6.633 10.542 3.723 1.00 0.00 O ATOM 841 CB GLN A 49 5.419 13.417 3.984 1.00 0.00 C ATOM 842 CG GLN A 49 4.951 13.066 2.578 1.00 0.00 C ATOM 843 CD GLN A 49 3.447 12.843 2.487 1.00 0.00 C ATOM 844 OE1 GLN A 49 2.918 12.558 1.417 1.00 0.00 O ATOM 845 NE2 GLN A 49 2.748 12.992 3.601 1.00 0.00 N ATOM 0 H GLN A 49 5.528 13.703 6.430 1.00 0.00 H new ATOM 0 HA GLN A 49 4.518 11.662 4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.767 14.190 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.421 13.843 3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.235 13.868 1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.467 12.166 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.222 13.229 4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.735 12.870 3.588 1.00 0.00 H new ATOM 854 N GLN A 50 7.641 11.492 5.518 1.00 0.00 N ATOM 855 CA GLN A 50 8.863 10.735 5.479 1.00 0.00 C ATOM 856 C GLN A 50 8.556 9.246 5.441 1.00 0.00 C ATOM 857 O GLN A 50 8.478 8.652 4.379 1.00 0.00 O ATOM 858 CB GLN A 50 9.678 11.047 6.735 1.00 0.00 C ATOM 859 CG GLN A 50 11.118 10.590 6.660 1.00 0.00 C ATOM 860 CD GLN A 50 11.539 9.772 7.867 1.00 0.00 C ATOM 861 OE1 GLN A 50 12.575 9.108 7.851 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.756 9.829 8.932 1.00 0.00 N ATOM 0 H GLN A 50 7.611 12.167 6.282 1.00 0.00 H new ATOM 0 HA GLN A 50 9.426 11.005 4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.657 12.122 6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.201 10.573 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.259 9.996 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.767 11.461 6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.904 10.390 8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.004 9.312 9.776 1.00 0.00 H new ATOM 871 N GLN A 51 8.373 8.656 6.614 1.00 0.00 N ATOM 872 CA GLN A 51 8.082 7.236 6.707 1.00 0.00 C ATOM 873 C GLN A 51 6.622 6.929 6.381 1.00 0.00 C ATOM 874 O GLN A 51 6.251 5.776 6.262 1.00 0.00 O ATOM 875 CB GLN A 51 8.435 6.705 8.091 1.00 0.00 C ATOM 876 CG GLN A 51 9.925 6.689 8.387 1.00 0.00 C ATOM 877 CD GLN A 51 10.711 5.790 7.454 1.00 0.00 C ATOM 878 OE1 GLN A 51 10.414 4.606 7.309 1.00 0.00 O ATOM 879 NE2 GLN A 51 11.732 6.342 6.824 1.00 0.00 N ATOM 0 H GLN A 51 8.421 9.139 7.511 1.00 0.00 H new ATOM 0 HA GLN A 51 8.699 6.732 5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.933 7.315 8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.045 5.692 8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.314 7.705 8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.081 6.360 9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.948 7.328 6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.304 5.782 6.192 1.00 0.00 H new ATOM 888 N ARG A 52 5.796 7.953 6.203 1.00 0.00 N ATOM 889 CA ARG A 52 4.393 7.715 5.849 1.00 0.00 C ATOM 890 C ARG A 52 4.271 7.458 4.351 1.00 0.00 C ATOM 891 O ARG A 52 4.014 6.335 3.927 1.00 0.00 O ATOM 892 CB ARG A 52 3.475 8.881 6.236 1.00 0.00 C ATOM 893 CG ARG A 52 3.039 8.880 7.694 1.00 0.00 C ATOM 894 CD ARG A 52 1.988 9.950 7.955 1.00 0.00 C ATOM 895 NE ARG A 52 1.482 9.899 9.324 1.00 0.00 N ATOM 896 CZ ARG A 52 0.516 10.687 9.797 1.00 0.00 C ATOM 897 NH1 ARG A 52 0.008 11.634 9.040 1.00 0.00 N ATOM 898 NH2 ARG A 52 0.088 10.554 11.036 1.00 0.00 N ATOM 0 H ARG A 52 6.059 8.934 6.294 1.00 0.00 H new ATOM 0 HA ARG A 52 4.071 6.841 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.989 9.818 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.587 8.854 5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.638 7.901 7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.904 9.052 8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.417 10.934 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.160 9.822 7.258 1.00 0.00 H new ATOM 0 HE ARG A 52 1.894 9.216 9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.353 11.767 8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.731 12.236 9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.496 9.843 11.643 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.651 11.162 11.388 1.00 0.00 H new ATOM 912 N ALA A 53 4.480 8.498 3.549 1.00 0.00 N ATOM 913 CA ALA A 53 4.398 8.366 2.097 1.00 0.00 C ATOM 914 C ALA A 53 5.444 7.407 1.574 1.00 0.00 C ATOM 915 O ALA A 53 5.131 6.531 0.774 1.00 0.00 O ATOM 916 CB ALA A 53 4.543 9.719 1.424 1.00 0.00 C ATOM 0 H ALA A 53 4.706 9.437 3.877 1.00 0.00 H new ATOM 0 HA ALA A 53 3.415 7.961 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.479 9.596 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.746 10.381 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.509 10.153 1.683 1.00 0.00 H new ATOM 922 N ALA A 54 6.682 7.560 2.019 1.00 0.00 N ATOM 923 CA ALA A 54 7.736 6.687 1.551 1.00 0.00 C ATOM 924 C ALA A 54 7.467 5.226 1.895 1.00 0.00 C ATOM 925 O ALA A 54 7.909 4.355 1.168 1.00 0.00 O ATOM 926 CB ALA A 54 9.093 7.113 2.073 1.00 0.00 C ATOM 0 H ALA A 54 6.974 8.269 2.692 1.00 0.00 H new ATOM 0 HA ALA A 54 7.747 6.776 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.857 6.432 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.312 8.125 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.088 7.089 3.163 1.00 0.00 H new ATOM 932 N MET A 55 6.731 4.941 2.981 1.00 0.00 N ATOM 933 CA MET A 55 6.445 3.557 3.323 1.00 0.00 C ATOM 934 C MET A 55 5.403 3.000 2.366 1.00 0.00 C ATOM 935 O MET A 55 5.479 1.846 1.955 1.00 0.00 O ATOM 936 CB MET A 55 5.981 3.438 4.774 1.00 0.00 C ATOM 937 CG MET A 55 5.758 2.006 5.230 1.00 0.00 C ATOM 938 SD MET A 55 7.236 0.987 5.023 1.00 0.00 S ATOM 939 CE MET A 55 6.625 -0.612 5.556 1.00 0.00 C ATOM 0 H MET A 55 6.337 5.635 3.616 1.00 0.00 H new ATOM 0 HA MET A 55 7.359 2.971 3.225 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.722 3.905 5.422 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.053 3.997 4.896 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.460 2.002 6.278 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.935 1.570 4.663 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.434 -1.173 6.024 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.818 -0.472 6.275 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.251 -1.164 4.694 1.00 0.00 H new ATOM 949 N LEU A 56 4.458 3.844 1.974 1.00 0.00 N ATOM 950 CA LEU A 56 3.427 3.450 1.025 1.00 0.00 C ATOM 951 C LEU A 56 4.082 3.103 -0.313 1.00 0.00 C ATOM 952 O LEU A 56 3.885 2.020 -0.871 1.00 0.00 O ATOM 953 CB LEU A 56 2.425 4.589 0.816 1.00 0.00 C ATOM 954 CG LEU A 56 1.230 4.246 -0.084 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.204 3.431 0.680 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.604 5.513 -0.642 1.00 0.00 C ATOM 0 H LEU A 56 4.385 4.808 2.300 1.00 0.00 H new ATOM 0 HA LEU A 56 2.897 2.584 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.049 4.905 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.951 5.441 0.386 1.00 0.00 H new ATOM 0 HG LEU A 56 1.588 3.645 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.636 3.197 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.661 2.505 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.152 4.004 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.242 5.251 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.260 6.141 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.344 6.057 -1.229 1.00 0.00 H new ATOM 968 N ILE A 57 4.875 4.044 -0.806 1.00 0.00 N ATOM 969 CA ILE A 57 5.593 3.892 -2.071 1.00 0.00 C ATOM 970 C ILE A 57 6.626 2.762 -1.942 1.00 0.00 C ATOM 971 O ILE A 57 6.974 2.109 -2.927 1.00 0.00 O ATOM 972 CB ILE A 57 6.268 5.244 -2.476 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.351 6.417 -2.100 1.00 0.00 C ATOM 974 CG2 ILE A 57 6.586 5.319 -3.970 1.00 0.00 C ATOM 975 CD1 ILE A 57 3.924 6.267 -2.592 1.00 0.00 C ATOM 0 H ILE A 57 5.041 4.937 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 57 4.891 3.626 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 57 7.211 5.303 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.341 6.524 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.770 7.337 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.053 6.278 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.268 4.512 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.664 5.221 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.341 7.135 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.920 6.192 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.485 5.366 -2.164 1.00 0.00 H new ATOM 987 N LYS A 58 7.077 2.517 -0.709 1.00 0.00 N ATOM 988 CA LYS A 58 8.037 1.450 -0.433 1.00 0.00 C ATOM 989 C LYS A 58 7.356 0.086 -0.487 1.00 0.00 C ATOM 990 O LYS A 58 7.972 -0.897 -0.893 1.00 0.00 O ATOM 991 CB LYS A 58 8.707 1.666 0.931 1.00 0.00 C ATOM 992 CG LYS A 58 9.764 0.629 1.288 1.00 0.00 C ATOM 993 CD LYS A 58 10.498 1.009 2.565 1.00 0.00 C ATOM 994 CE LYS A 58 11.237 2.334 2.412 1.00 0.00 C ATOM 995 NZ LYS A 58 11.898 2.750 3.676 1.00 0.00 N ATOM 0 H LYS A 58 6.791 3.046 0.115 1.00 0.00 H new ATOM 0 HA LYS A 58 8.809 1.477 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.167 2.654 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.938 1.663 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.293 -0.346 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.477 0.536 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.786 1.081 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.207 0.224 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.985 2.243 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.535 3.107 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.389 3.655 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.182 2.861 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.586 2.025 3.963 1.00 0.00 H new ATOM 1009 N MET A 59 6.071 0.020 -0.109 1.00 0.00 N ATOM 1010 CA MET A 59 5.343 -1.244 -0.178 1.00 0.00 C ATOM 1011 C MET A 59 5.291 -1.666 -1.630 1.00 0.00 C ATOM 1012 O MET A 59 5.570 -2.807 -1.978 1.00 0.00 O ATOM 1013 CB MET A 59 3.896 -1.130 0.297 1.00 0.00 C ATOM 1014 CG MET A 59 3.693 -0.458 1.633 1.00 0.00 C ATOM 1015 SD MET A 59 1.943 -0.268 2.007 1.00 0.00 S ATOM 1016 CE MET A 59 1.321 0.247 0.398 1.00 0.00 C ATOM 0 H MET A 59 5.529 0.811 0.239 1.00 0.00 H new ATOM 0 HA MET A 59 5.861 -1.953 0.467 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.329 -0.580 -0.455 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.470 -2.132 0.347 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.173 -1.046 2.415 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.175 0.520 1.628 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.305 0.627 0.505 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.961 1.031 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.319 -0.605 -0.281 1.00 0.00 H new ATOM 1026 N ILE A 60 4.922 -0.696 -2.468 1.00 0.00 N ATOM 1027 CA ILE A 60 4.808 -0.897 -3.902 1.00 0.00 C ATOM 1028 C ILE A 60 6.166 -1.241 -4.514 1.00 0.00 C ATOM 1029 O ILE A 60 6.243 -1.913 -5.532 1.00 0.00 O ATOM 1030 CB ILE A 60 4.229 0.363 -4.577 1.00 0.00 C ATOM 1031 CG1 ILE A 60 3.006 0.850 -3.806 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.839 0.064 -6.017 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.715 2.314 -4.015 1.00 0.00 C ATOM 0 H ILE A 60 4.695 0.251 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 60 4.131 -1.734 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 60 4.993 1.140 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.137 0.267 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.158 0.665 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.432 0.964 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.719 -0.262 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.086 -0.724 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.833 2.596 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.569 2.905 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.532 2.501 -5.073 1.00 0.00 H new ATOM 1045 N LEU A 61 7.234 -0.790 -3.874 1.00 0.00 N ATOM 1046 CA LEU A 61 8.583 -1.077 -4.355 1.00 0.00 C ATOM 1047 C LEU A 61 8.813 -2.591 -4.349 1.00 0.00 C ATOM 1048 O LEU A 61 9.550 -3.123 -5.179 1.00 0.00 O ATOM 1049 CB LEU A 61 9.611 -0.360 -3.462 1.00 0.00 C ATOM 1050 CG LEU A 61 11.026 -0.184 -4.044 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.764 0.920 -3.304 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.833 -1.471 -3.955 1.00 0.00 C ATOM 0 H LEU A 61 7.197 -0.227 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 61 8.701 -0.713 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.219 0.627 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.694 -0.913 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 61 10.916 0.082 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.763 1.035 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.216 1.857 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.842 0.661 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.825 -1.308 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.926 -1.771 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.327 -2.257 -4.515 1.00 0.00 H new ATOM 1064 N LYS A 62 8.172 -3.282 -3.411 1.00 0.00 N ATOM 1065 CA LYS A 62 8.312 -4.728 -3.301 1.00 0.00 C ATOM 1066 C LYS A 62 6.981 -5.444 -3.033 1.00 0.00 C ATOM 1067 O LYS A 62 6.939 -6.394 -2.247 1.00 0.00 O ATOM 1068 CB LYS A 62 9.303 -5.073 -2.184 1.00 0.00 C ATOM 1069 CG LYS A 62 10.761 -5.018 -2.610 1.00 0.00 C ATOM 1070 CD LYS A 62 11.688 -5.297 -1.435 1.00 0.00 C ATOM 1071 CE LYS A 62 13.103 -5.602 -1.893 1.00 0.00 C ATOM 1072 NZ LYS A 62 13.186 -6.899 -2.617 1.00 0.00 N ATOM 0 H LYS A 62 7.552 -2.864 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 62 8.681 -5.078 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.152 -4.384 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.082 -6.074 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.940 -5.748 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.984 -4.036 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.700 -4.435 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.303 -6.139 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.455 -4.801 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.767 -5.626 -1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.175 -7.219 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.606 -7.609 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.834 -6.778 -3.588 1.00 0.00 H new ATOM 1086 N LYS A 63 5.895 -5.023 -3.679 1.00 0.00 N ATOM 1087 CA LYS A 63 4.619 -5.682 -3.471 1.00 0.00 C ATOM 1088 C LYS A 63 4.343 -6.634 -4.636 1.00 0.00 C ATOM 1089 O LYS A 63 5.042 -7.631 -4.809 1.00 0.00 O ATOM 1090 CB LYS A 63 3.497 -4.648 -3.334 1.00 0.00 C ATOM 1091 CG LYS A 63 2.249 -5.182 -2.647 1.00 0.00 C ATOM 1092 CD LYS A 63 2.496 -5.442 -1.174 1.00 0.00 C ATOM 1093 CE LYS A 63 1.275 -6.046 -0.491 1.00 0.00 C ATOM 1094 NZ LYS A 63 1.001 -7.435 -0.955 1.00 0.00 N ATOM 0 H LYS A 63 5.877 -4.244 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 63 4.657 -6.257 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.871 -3.792 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.227 -4.285 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.435 -4.466 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.931 -6.105 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.345 -6.116 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.763 -4.508 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.429 -6.049 0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.404 -5.421 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.250 -7.854 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.696 -7.415 -1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.866 -8.007 -0.869 1.00 0.00 H new ATOM 1108 N ASP A 64 3.337 -6.309 -5.433 1.00 0.00 N ATOM 1109 CA ASP A 64 2.957 -7.104 -6.593 1.00 0.00 C ATOM 1110 C ASP A 64 2.126 -6.246 -7.525 1.00 0.00 C ATOM 1111 O ASP A 64 1.584 -5.225 -7.099 1.00 0.00 O ATOM 1112 CB ASP A 64 2.201 -8.363 -6.155 1.00 0.00 C ATOM 1113 CG ASP A 64 0.997 -8.058 -5.285 1.00 0.00 C ATOM 1114 OD1 ASP A 64 0.004 -7.530 -5.818 1.00 0.00 O ATOM 1115 OD2 ASP A 64 1.053 -8.327 -4.065 1.00 0.00 O ATOM 0 H ASP A 64 2.757 -5.482 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 64 3.848 -7.436 -7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.874 -8.910 -7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.881 -9.017 -5.609 1.00 0.00 H new ATOM 1120 N ASN A 65 2.066 -6.618 -8.800 1.00 0.00 N ATOM 1121 CA ASN A 65 1.337 -5.824 -9.776 1.00 0.00 C ATOM 1122 C ASN A 65 -0.145 -5.754 -9.458 1.00 0.00 C ATOM 1123 O ASN A 65 -0.804 -4.802 -9.840 1.00 0.00 O ATOM 1124 CB ASN A 65 1.578 -6.295 -11.216 1.00 0.00 C ATOM 1125 CG ASN A 65 1.262 -7.755 -11.460 1.00 0.00 C ATOM 1126 OD1 ASN A 65 0.144 -8.214 -11.236 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.250 -8.488 -11.939 1.00 0.00 N ATOM 0 H ASN A 65 2.509 -7.456 -9.176 1.00 0.00 H new ATOM 0 HA ASN A 65 1.736 -4.812 -9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.973 -5.688 -11.889 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.621 -6.114 -11.474 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.101 -9.477 -12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.162 -8.065 -12.110 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.661 -6.724 -8.724 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.070 -6.689 -8.346 1.00 0.00 C ATOM 1136 C ASP A 66 -2.315 -5.469 -7.456 1.00 0.00 C ATOM 1137 O ASP A 66 -3.226 -4.676 -7.710 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.471 -7.970 -7.619 1.00 0.00 C ATOM 1139 CG ASP A 66 -3.974 -8.131 -7.506 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -4.710 -7.434 -8.232 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -4.421 -8.979 -6.709 1.00 0.00 O ATOM 0 H ASP A 66 -0.141 -7.532 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.681 -6.615 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.056 -8.828 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.034 -7.969 -6.621 1.00 0.00 H new ATOM 1146 N SER A 67 -1.471 -5.291 -6.434 1.00 0.00 N ATOM 1147 CA SER A 67 -1.605 -4.134 -5.554 1.00 0.00 C ATOM 1148 C SER A 67 -1.180 -2.892 -6.288 1.00 0.00 C ATOM 1149 O SER A 67 -1.591 -1.789 -5.956 1.00 0.00 O ATOM 1150 CB SER A 67 -0.740 -4.238 -4.310 1.00 0.00 C ATOM 1151 OG SER A 67 -0.488 -5.583 -3.943 1.00 0.00 O ATOM 0 H SER A 67 -0.704 -5.922 -6.202 1.00 0.00 H new ATOM 0 HA SER A 67 -2.652 -4.095 -5.253 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.207 -3.728 -4.485 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.232 -3.724 -3.484 1.00 0.00 H new ATOM 0 HG SER A 67 -0.532 -5.670 -2.968 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.333 -3.082 -7.274 1.00 0.00 N ATOM 1158 CA TYR A 68 0.177 -1.978 -8.050 1.00 0.00 C ATOM 1159 C TYR A 68 -0.912 -1.410 -8.943 1.00 0.00 C ATOM 1160 O TYR A 68 -1.046 -0.197 -9.052 1.00 0.00 O ATOM 1161 CB TYR A 68 1.386 -2.433 -8.852 1.00 0.00 C ATOM 1162 CG TYR A 68 2.073 -1.328 -9.602 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.078 -0.023 -9.122 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.720 -1.591 -10.791 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.706 0.983 -9.821 1.00 0.00 C ATOM 1166 CE2 TYR A 68 3.347 -0.589 -11.487 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.343 0.687 -11.000 1.00 0.00 C ATOM 1168 OH TYR A 68 3.973 1.670 -11.703 1.00 0.00 O ATOM 0 H TYR A 68 0.018 -3.997 -7.558 1.00 0.00 H new ATOM 0 HA TYR A 68 0.496 -1.179 -7.381 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.103 -2.900 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.071 -3.199 -9.561 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.583 0.204 -8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.733 -2.599 -11.179 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.697 1.995 -9.445 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.844 -0.809 -12.420 1.00 0.00 H new ATOM 0 HH TYR A 68 4.927 1.458 -11.779 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.716 -2.276 -9.545 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.808 -1.796 -10.378 1.00 0.00 C ATOM 1180 C VAL A 69 -3.887 -1.227 -9.454 1.00 0.00 C ATOM 1181 O VAL A 69 -4.646 -0.345 -9.839 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.387 -2.873 -11.331 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.264 -2.228 -12.390 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.275 -3.654 -12.016 1.00 0.00 C ATOM 0 H VAL A 69 -1.636 -3.290 -9.475 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.420 -1.024 -11.042 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.983 -3.559 -10.728 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.662 -2.998 -13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.088 -1.701 -11.909 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.672 -1.521 -12.972 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.711 -4.402 -12.678 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.656 -2.971 -12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.661 -4.149 -11.263 1.00 0.00 H new ATOM 1194 N SER A 70 -3.883 -1.684 -8.192 1.00 0.00 N ATOM 1195 CA SER A 70 -4.798 -1.159 -7.180 1.00 0.00 C ATOM 1196 C SER A 70 -4.301 0.231 -6.791 1.00 0.00 C ATOM 1197 O SER A 70 -5.069 1.189 -6.772 1.00 0.00 O ATOM 1198 CB SER A 70 -4.856 -2.074 -5.952 1.00 0.00 C ATOM 1199 OG SER A 70 -5.668 -1.522 -4.923 1.00 0.00 O ATOM 0 H SER A 70 -3.256 -2.414 -7.854 1.00 0.00 H new ATOM 0 HA SER A 70 -5.810 -1.108 -7.583 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.249 -3.048 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.848 -2.237 -5.572 1.00 0.00 H new ATOM 0 HG SER A 70 -6.612 -1.679 -5.132 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.990 0.347 -6.526 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.395 1.650 -6.209 1.00 0.00 C ATOM 1207 C PHE A 71 -2.659 2.602 -7.391 1.00 0.00 C ATOM 1208 O PHE A 71 -2.997 3.772 -7.205 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.888 1.523 -5.924 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.154 2.832 -5.951 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.445 3.817 -5.022 1.00 0.00 C ATOM 1212 CD2 PHE A 71 0.824 3.076 -6.901 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.226 5.025 -5.039 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.496 4.282 -6.923 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.198 5.258 -5.989 1.00 0.00 C ATOM 0 H PHE A 71 -2.333 -0.433 -6.525 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.851 2.050 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.750 1.060 -4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.444 0.853 -6.660 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.205 3.639 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.063 2.317 -7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.010 5.785 -4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.255 4.463 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.725 6.200 -6.004 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.546 2.050 -8.603 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.816 2.778 -9.845 1.00 0.00 C ATOM 1227 C TYR A 72 -4.252 3.304 -9.803 1.00 0.00 C ATOM 1228 O TYR A 72 -4.528 4.467 -10.095 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.628 1.813 -11.031 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.923 2.387 -12.400 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -4.212 2.372 -12.918 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -1.910 2.926 -13.180 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -4.482 2.872 -14.176 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -2.174 3.430 -14.437 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.461 3.408 -14.929 1.00 0.00 C ATOM 1236 OH TYR A 72 -3.725 3.905 -16.187 1.00 0.00 O ATOM 0 H TYR A 72 -2.263 1.081 -8.750 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.133 3.620 -9.959 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.599 1.453 -11.023 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.270 0.946 -10.875 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.017 1.962 -12.326 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.900 2.951 -12.798 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.488 2.843 -14.568 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.373 3.841 -15.034 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.964 4.442 -16.493 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.144 2.410 -9.402 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.570 2.686 -9.261 1.00 0.00 C ATOM 1248 C ASN A 73 -6.810 3.817 -8.257 1.00 0.00 C ATOM 1249 O ASN A 73 -7.657 4.685 -8.470 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.266 1.391 -8.805 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.762 1.507 -8.562 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.231 2.337 -7.783 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.521 0.649 -9.214 1.00 0.00 N ATOM 0 H ASN A 73 -4.893 1.451 -9.160 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.981 3.012 -10.216 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.096 0.622 -9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.791 1.047 -7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.532 0.659 -9.081 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.097 -0.025 -9.852 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.048 3.808 -7.169 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.163 4.829 -6.135 1.00 0.00 C ATOM 1262 C ALA A 74 -5.768 6.200 -6.680 1.00 0.00 C ATOM 1263 O ALA A 74 -6.371 7.215 -6.332 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.308 4.455 -4.944 1.00 0.00 C ATOM 0 H ALA A 74 -5.339 3.099 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.203 4.887 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.399 5.223 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.642 3.498 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.266 4.374 -5.255 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.775 6.209 -7.559 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.313 7.440 -8.189 1.00 0.00 C ATOM 1272 C LEU A 75 -5.436 8.034 -9.021 1.00 0.00 C ATOM 1273 O LEU A 75 -5.602 9.245 -9.088 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.091 7.167 -9.066 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.842 6.683 -8.320 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.763 6.262 -9.306 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.315 7.770 -7.396 1.00 0.00 C ATOM 0 H LEU A 75 -4.271 5.373 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.024 8.150 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.360 6.420 -9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.840 8.080 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.119 5.819 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.116 5.921 -8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.138 5.452 -9.932 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.493 7.111 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.429 7.407 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.056 8.652 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.082 8.031 -6.667 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.228 7.166 -9.634 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.357 7.610 -10.440 1.00 0.00 C ATOM 1291 C LEU A 76 -8.487 8.137 -9.559 1.00 0.00 C ATOM 1292 O LEU A 76 -9.402 8.794 -10.053 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.867 6.478 -11.341 1.00 0.00 C ATOM 1294 CG LEU A 76 -7.215 6.379 -12.726 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.713 6.172 -12.618 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.846 5.255 -13.525 1.00 0.00 C ATOM 0 H LEU A 76 -6.111 6.154 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.009 8.425 -11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.718 5.531 -10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.942 6.602 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.386 7.322 -13.245 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.282 6.106 -13.617 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.267 7.012 -12.085 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.511 5.249 -12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.374 5.196 -14.506 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.707 4.311 -12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.912 5.449 -13.647 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.424 7.859 -8.258 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.456 8.328 -7.346 1.00 0.00 C ATOM 1310 C HIS A 77 -9.154 9.739 -6.855 1.00 0.00 C ATOM 1311 O HIS A 77 -10.066 10.549 -6.690 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.627 7.409 -6.123 1.00 0.00 C ATOM 1313 CG HIS A 77 -11.043 7.379 -5.637 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -11.707 8.505 -5.201 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.940 6.365 -5.567 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -12.950 8.191 -4.890 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -13.118 6.900 -5.105 1.00 0.00 N ATOM 0 H HIS A 77 -7.678 7.318 -7.820 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.384 8.321 -7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.311 6.398 -6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.975 7.750 -5.319 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -11.300 9.438 -5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.762 5.332 -5.826 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.702 8.874 -4.522 1.00 0.00 H new ATOM 1326 N GLU A 78 -7.884 10.020 -6.576 1.00 0.00 N ATOM 1327 CA GLU A 78 -7.515 11.329 -6.042 1.00 0.00 C ATOM 1328 C GLU A 78 -6.888 12.257 -7.092 1.00 0.00 C ATOM 1329 O GLU A 78 -5.988 13.043 -6.794 1.00 0.00 O ATOM 1330 CB GLU A 78 -6.585 11.163 -4.839 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.128 10.207 -3.793 1.00 0.00 C ATOM 1332 CD GLU A 78 -8.578 10.484 -3.456 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -8.890 11.619 -3.035 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.415 9.566 -3.604 1.00 0.00 O ATOM 0 H GLU A 78 -7.106 9.374 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.439 11.813 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.616 10.802 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.418 12.137 -4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.031 9.183 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.526 10.283 -2.887 1.00 0.00 H new ATOM 1341 N GLY A 79 -7.411 12.188 -8.305 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.960 13.052 -9.386 1.00 0.00 C ATOM 1343 C GLY A 79 -5.483 12.939 -9.742 1.00 0.00 C ATOM 1344 O GLY A 79 -4.838 13.956 -9.997 1.00 0.00 O ATOM 0 H GLY A 79 -8.153 11.539 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.549 12.829 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.172 14.086 -9.114 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.950 11.729 -9.792 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.549 11.532 -10.156 1.00 0.00 C ATOM 1350 C TYR A 80 -3.448 10.549 -11.321 1.00 0.00 C ATOM 1351 O TYR A 80 -2.629 9.622 -11.315 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.730 11.039 -8.958 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.683 12.027 -7.808 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -2.234 13.329 -8.000 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -3.098 11.656 -6.535 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -2.196 14.232 -6.957 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -3.066 12.557 -5.485 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.615 13.842 -5.704 1.00 0.00 C ATOM 1359 OH TYR A 80 -2.581 14.741 -4.666 1.00 0.00 O ATOM 0 H TYR A 80 -5.460 10.870 -9.587 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.135 12.491 -10.466 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.152 10.099 -8.602 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.712 10.827 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.909 13.639 -8.982 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.451 10.650 -6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.840 15.238 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.392 12.256 -4.500 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.294 14.531 -4.027 1.00 0.00 H new ATOM 1369 N LYS A 81 -4.297 10.761 -12.320 1.00 0.00 N ATOM 1370 CA LYS A 81 -4.333 9.905 -13.501 1.00 0.00 C ATOM 1371 C LYS A 81 -3.055 10.045 -14.333 1.00 0.00 C ATOM 1372 O LYS A 81 -2.623 9.092 -14.979 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.563 10.236 -14.372 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.760 9.282 -15.543 1.00 0.00 C ATOM 1375 CD LYS A 81 -6.900 9.710 -16.462 1.00 0.00 C ATOM 1376 CE LYS A 81 -8.259 9.621 -15.781 1.00 0.00 C ATOM 1377 NZ LYS A 81 -9.386 9.800 -16.742 1.00 0.00 N ATOM 0 H LYS A 81 -4.974 11.524 -12.335 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.405 8.873 -13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.455 10.218 -13.746 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.463 11.251 -14.755 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.836 9.224 -16.119 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.962 8.281 -15.162 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.730 10.734 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.901 9.081 -17.352 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.354 8.653 -15.289 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.324 10.381 -15.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.290 9.732 -16.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.312 10.734 -17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.342 9.059 -17.471 1.00 0.00 H new ATOM 1391 N ASP A 82 -2.461 11.238 -14.328 1.00 0.00 N ATOM 1392 CA ASP A 82 -1.242 11.490 -15.105 1.00 0.00 C ATOM 1393 C ASP A 82 -0.044 10.723 -14.560 1.00 0.00 C ATOM 1394 O ASP A 82 0.729 10.159 -15.333 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.944 12.990 -15.170 1.00 0.00 C ATOM 1396 CG ASP A 82 -1.990 13.749 -15.961 1.00 0.00 C ATOM 1397 OD1 ASP A 82 -2.238 13.391 -17.128 1.00 0.00 O ATOM 1398 OD2 ASP A 82 -2.575 14.707 -15.416 1.00 0.00 O ATOM 0 H ASP A 82 -2.799 12.042 -13.799 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.422 11.125 -16.116 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.893 13.393 -14.158 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.035 13.145 -15.624 1.00 0.00 H new ATOM 1403 N LEU A 83 0.113 10.678 -13.242 1.00 0.00 N ATOM 1404 CA LEU A 83 1.228 9.934 -12.657 1.00 0.00 C ATOM 1405 C LEU A 83 1.034 8.469 -13.001 1.00 0.00 C ATOM 1406 O LEU A 83 1.950 7.795 -13.452 1.00 0.00 O ATOM 1407 CB LEU A 83 1.285 10.116 -11.132 1.00 0.00 C ATOM 1408 CG LEU A 83 2.680 10.012 -10.476 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.343 8.654 -10.683 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.601 11.101 -10.994 1.00 0.00 C ATOM 0 H LEU A 83 -0.501 11.136 -12.569 1.00 0.00 H new ATOM 0 HA LEU A 83 2.169 10.307 -13.060 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.866 11.093 -10.889 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.637 9.368 -10.675 1.00 0.00 H new ATOM 0 HG LEU A 83 2.515 10.137 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.319 8.648 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.717 7.874 -10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.467 8.469 -11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.577 11.008 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.712 11.000 -12.074 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.176 12.078 -10.762 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.196 8.009 -12.820 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.565 6.637 -13.130 1.00 0.00 C ATOM 1424 C ALA A 84 -0.315 6.334 -14.607 1.00 0.00 C ATOM 1425 O ALA A 84 0.135 5.246 -14.953 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.023 6.399 -12.775 1.00 0.00 C ATOM 0 H ALA A 84 -0.963 8.575 -12.456 1.00 0.00 H new ATOM 0 HA ALA A 84 0.054 5.965 -12.536 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.291 5.369 -13.010 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.172 6.579 -11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.653 7.078 -13.349 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.592 7.309 -15.477 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.373 7.147 -16.912 1.00 0.00 C ATOM 1434 C ALA A 85 1.098 6.884 -17.188 1.00 0.00 C ATOM 1435 O ALA A 85 1.443 6.079 -18.052 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.856 8.374 -17.673 1.00 0.00 C ATOM 0 H ALA A 85 -0.969 8.219 -15.210 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.950 6.290 -17.259 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.683 8.232 -18.740 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.922 8.517 -17.494 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.309 9.253 -17.331 1.00 0.00 H new ATOM 1442 N LEU A 86 1.959 7.542 -16.422 1.00 0.00 N ATOM 1443 CA LEU A 86 3.400 7.347 -16.555 1.00 0.00 C ATOM 1444 C LEU A 86 3.776 5.909 -16.198 1.00 0.00 C ATOM 1445 O LEU A 86 4.792 5.384 -16.644 1.00 0.00 O ATOM 1446 CB LEU A 86 4.151 8.318 -15.639 1.00 0.00 C ATOM 1447 CG LEU A 86 4.273 9.751 -16.154 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.748 10.679 -15.042 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.241 9.798 -17.323 1.00 0.00 C ATOM 0 H LEU A 86 1.687 8.214 -15.704 1.00 0.00 H new ATOM 0 HA LEU A 86 3.681 7.541 -17.590 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.648 8.340 -14.672 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.154 7.926 -15.468 1.00 0.00 H new ATOM 0 HG LEU A 86 3.292 10.088 -16.489 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.829 11.696 -15.426 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.032 10.658 -14.220 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.722 10.348 -14.683 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.324 10.822 -17.686 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.221 9.448 -16.998 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.874 9.158 -18.125 1.00 0.00 H new ATOM 1461 N LEU A 87 2.939 5.292 -15.374 1.00 0.00 N ATOM 1462 CA LEU A 87 3.158 3.927 -14.912 1.00 0.00 C ATOM 1463 C LEU A 87 2.406 2.922 -15.773 1.00 0.00 C ATOM 1464 O LEU A 87 2.689 1.723 -15.728 1.00 0.00 O ATOM 1465 CB LEU A 87 2.696 3.786 -13.468 1.00 0.00 C ATOM 1466 CG LEU A 87 3.596 4.399 -12.376 1.00 0.00 C ATOM 1467 CD1 LEU A 87 4.129 5.764 -12.759 1.00 0.00 C ATOM 1468 CD2 LEU A 87 2.827 4.496 -11.065 1.00 0.00 C ATOM 0 H LEU A 87 2.090 5.723 -15.007 1.00 0.00 H new ATOM 0 HA LEU A 87 4.226 3.720 -14.986 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.708 4.238 -13.384 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.580 2.724 -13.253 1.00 0.00 H new ATOM 0 HG LEU A 87 4.455 3.738 -12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.756 6.149 -11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.720 5.681 -13.671 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.296 6.446 -12.927 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.469 4.930 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.949 5.128 -11.204 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.512 3.500 -10.754 1.00 0.00 H new ATOM 1480 N HIS A 88 1.443 3.411 -16.556 1.00 0.00 N ATOM 1481 CA HIS A 88 0.650 2.552 -17.427 1.00 0.00 C ATOM 1482 C HIS A 88 1.549 1.897 -18.455 1.00 0.00 C ATOM 1483 O HIS A 88 1.184 0.905 -19.083 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.448 3.353 -18.119 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.410 2.509 -18.907 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -1.242 2.223 -20.243 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.528 1.847 -18.523 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -2.218 1.435 -20.655 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.013 1.186 -19.627 1.00 0.00 N ATOM 0 H HIS A 88 1.196 4.399 -16.602 1.00 0.00 H new ATOM 0 HA HIS A 88 0.177 1.779 -16.821 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.003 3.915 -17.368 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.012 4.082 -18.786 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.959 1.840 -17.533 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.346 1.058 -21.659 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.848 0.600 -19.650 1.00 0.00 H new ATOM 1498 N ASP A 89 2.741 2.450 -18.566 1.00 0.00 N ATOM 1499 CA ASP A 89 3.751 1.933 -19.473 1.00 0.00 C ATOM 1500 C ASP A 89 4.103 0.496 -19.078 1.00 0.00 C ATOM 1501 O ASP A 89 4.576 -0.297 -19.891 1.00 0.00 O ATOM 1502 CB ASP A 89 5.000 2.821 -19.440 1.00 0.00 C ATOM 1503 CG ASP A 89 6.098 2.327 -20.368 1.00 0.00 C ATOM 1504 OD1 ASP A 89 5.853 2.226 -21.588 1.00 0.00 O ATOM 1505 OD2 ASP A 89 7.215 2.051 -19.884 1.00 0.00 O ATOM 0 H ASP A 89 3.037 3.267 -18.033 1.00 0.00 H new ATOM 0 HA ASP A 89 3.358 1.937 -20.490 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.725 3.838 -19.719 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.384 2.863 -18.421 1.00 0.00 H new ATOM 1510 N GLY A 90 3.835 0.174 -17.816 1.00 0.00 N ATOM 1511 CA GLY A 90 4.090 -1.153 -17.305 1.00 0.00 C ATOM 1512 C GLY A 90 2.812 -1.899 -16.957 1.00 0.00 C ATOM 1513 O GLY A 90 2.833 -3.117 -16.781 1.00 0.00 O ATOM 0 H GLY A 90 3.441 0.821 -17.133 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.649 -1.723 -18.047 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.719 -1.082 -16.417 1.00 0.00 H new ATOM 1517 N ILE A 91 1.697 -1.177 -16.848 1.00 0.00 N ATOM 1518 CA ILE A 91 0.417 -1.788 -16.513 1.00 0.00 C ATOM 1519 C ILE A 91 -0.253 -2.350 -17.767 1.00 0.00 C ATOM 1520 O ILE A 91 -0.643 -1.594 -18.658 1.00 0.00 O ATOM 1521 CB ILE A 91 -0.545 -0.770 -15.845 1.00 0.00 C ATOM 1522 CG1 ILE A 91 0.163 -0.003 -14.718 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -1.784 -1.474 -15.308 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.770 -0.883 -13.647 1.00 0.00 C ATOM 0 H ILE A 91 1.657 -0.167 -16.988 1.00 0.00 H new ATOM 0 HA ILE A 91 0.622 -2.593 -15.808 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.855 -0.053 -16.605 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.950 0.613 -15.153 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.552 0.675 -14.252 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.445 -0.743 -14.844 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.307 -1.967 -16.128 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.488 -2.217 -14.568 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.249 -0.259 -12.892 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.013 -1.481 -13.181 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.512 -1.543 -14.096 1.00 0.00 H new ATOM 1536 N PRO A 92 -0.390 -3.681 -17.855 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.009 -4.344 -19.012 1.00 0.00 C ATOM 1538 C PRO A 92 -2.463 -3.914 -19.225 1.00 0.00 C ATOM 1539 O PRO A 92 -2.787 -3.242 -20.209 1.00 0.00 O ATOM 1540 CB PRO A 92 -0.930 -5.838 -18.667 1.00 0.00 C ATOM 1541 CG PRO A 92 0.116 -5.936 -17.607 1.00 0.00 C ATOM 1542 CD PRO A 92 0.055 -4.649 -16.840 1.00 0.00 C ATOM 0 HA PRO A 92 -0.501 -4.087 -19.941 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.890 -6.212 -18.310 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.662 -6.431 -19.541 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.071 -6.788 -16.953 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.103 -6.081 -18.046 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.644 -4.709 -16.005 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.026 -4.380 -16.424 1.00 0.00 H new ATOM 1550 N VAL A 93 -3.335 -4.285 -18.295 1.00 0.00 N ATOM 1551 CA VAL A 93 -4.743 -3.918 -18.391 1.00 0.00 C ATOM 1552 C VAL A 93 -5.236 -3.304 -17.082 1.00 0.00 C ATOM 1553 O VAL A 93 -4.710 -3.595 -16.003 1.00 0.00 O ATOM 1554 CB VAL A 93 -5.643 -5.124 -18.761 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -5.345 -5.610 -20.170 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -5.473 -6.265 -17.763 1.00 0.00 C ATOM 0 H VAL A 93 -3.095 -4.836 -17.471 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.816 -3.182 -19.192 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.679 -4.786 -18.721 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.989 -6.457 -20.407 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.530 -4.804 -20.880 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.302 -5.918 -20.235 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.117 -7.097 -18.048 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.434 -6.594 -17.761 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.747 -5.920 -16.766 1.00 0.00 H new ATOM 1566 N VAL A 94 -6.243 -2.456 -17.179 1.00 0.00 N ATOM 1567 CA VAL A 94 -6.807 -1.805 -16.001 1.00 0.00 C ATOM 1568 C VAL A 94 -8.173 -2.402 -15.664 1.00 0.00 C ATOM 1569 O VAL A 94 -9.207 -1.732 -15.765 1.00 0.00 O ATOM 1570 CB VAL A 94 -6.936 -0.275 -16.204 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -7.284 0.420 -14.895 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -5.653 0.304 -16.788 1.00 0.00 C ATOM 0 H VAL A 94 -6.690 -2.199 -18.059 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.123 -1.980 -15.170 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.747 -0.099 -16.911 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.369 1.493 -15.064 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.233 0.036 -14.520 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.500 0.229 -14.162 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.767 1.380 -16.922 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.823 0.109 -16.108 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.449 -0.162 -17.752 1.00 0.00 H new ATOM 1582 N SER A 95 -8.162 -3.676 -15.267 1.00 0.00 N ATOM 1583 CA SER A 95 -9.377 -4.410 -14.908 1.00 0.00 C ATOM 1584 C SER A 95 -10.335 -4.543 -16.099 1.00 0.00 C ATOM 1585 O SER A 95 -10.036 -4.105 -17.216 1.00 0.00 O ATOM 1586 CB SER A 95 -10.082 -3.730 -13.725 1.00 0.00 C ATOM 1587 OG SER A 95 -9.203 -3.564 -12.619 1.00 0.00 O ATOM 0 H SER A 95 -7.309 -4.229 -15.185 1.00 0.00 H new ATOM 0 HA SER A 95 -9.079 -5.416 -14.613 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.463 -2.758 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.942 -4.327 -13.421 1.00 0.00 H new ATOM 0 HG SER A 95 -9.681 -3.127 -11.884 1.00 0.00 H new ATOM 1593 N SER A 96 -11.486 -5.151 -15.856 1.00 0.00 N ATOM 1594 CA SER A 96 -12.488 -5.341 -16.890 1.00 0.00 C ATOM 1595 C SER A 96 -13.850 -4.864 -16.388 1.00 0.00 C ATOM 1596 O SER A 96 -14.882 -5.493 -16.644 1.00 0.00 O ATOM 1597 CB SER A 96 -12.555 -6.819 -17.298 1.00 0.00 C ATOM 1598 OG SER A 96 -11.310 -7.262 -17.822 1.00 0.00 O ATOM 0 H SER A 96 -11.749 -5.523 -14.944 1.00 0.00 H new ATOM 0 HA SER A 96 -12.211 -4.753 -17.765 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.826 -7.426 -16.434 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.337 -6.958 -18.044 1.00 0.00 H new ATOM 0 HG SER A 96 -11.378 -8.207 -18.073 1.00 0.00 H new ATOM 1604 N SER A 97 -13.840 -3.750 -15.665 1.00 0.00 N ATOM 1605 CA SER A 97 -15.057 -3.180 -15.111 1.00 0.00 C ATOM 1606 C SER A 97 -15.827 -2.398 -16.171 1.00 0.00 C ATOM 1607 O SER A 97 -17.023 -2.112 -15.954 1.00 0.00 O ATOM 1608 CB SER A 97 -14.716 -2.272 -13.924 1.00 0.00 C ATOM 1609 OG SER A 97 -13.711 -1.324 -14.264 1.00 0.00 O ATOM 1610 OXT SER A 97 -15.231 -2.070 -17.219 1.00 0.00 O ATOM 0 H SER A 97 -12.994 -3.222 -15.449 1.00 0.00 H new ATOM 0 HA SER A 97 -15.692 -3.996 -14.766 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.614 -1.749 -13.595 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.376 -2.880 -13.086 1.00 0.00 H new ATOM 0 HG SER A 97 -13.518 -0.759 -13.487 1.00 0.00 H new TER 1616 SER A 97