USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 22:sc= 0.747 USER MOD Single : A 7 TYR OH : rot 30:sc= -3.08! USER MOD Single : A 9 MET CE :methyl 149:sc= -13.9! (180deg=-15.7!) USER MOD Single : A 17 THR OG1 : rot 31:sc= -0.44! USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0562) USER MOD Single : A 20 ASN : amide:sc= -2.59! C(o=-2.6!,f=-8.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.16 K(o=1.2,f=-0.33) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= -0.0714 (180deg=-0.502) USER MOD Single : A 65 CYS SG : rot -21:sc= 0.193 USER MOD Single : A 68 ASN : amide:sc= -15.9! C(o=-16!,f=-18!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 179:sc= -14.1! (180deg=-14.2!) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= -0.155 (180deg=-0.843) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -120:sc= -0.763 (180deg=-2.28!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -7.93! C(o=-7.9!,f=-9!) USER MOD Single : A 105 ASN :FLIP amide:sc= -3.76! C(o=-4.6!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 6 -1.986 16.707 -5.638 1.00 0.00 N ATOM 68 CA THR A 6 -1.881 15.557 -4.755 1.00 0.00 C ATOM 69 C THR A 6 -2.717 14.394 -5.293 1.00 0.00 C ATOM 70 O THR A 6 -3.633 14.598 -6.087 1.00 0.00 O ATOM 71 CB THR A 6 -2.290 16.000 -3.349 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.488 17.407 -3.473 1.00 0.00 O ATOM 73 CG2 THR A 6 -1.149 15.873 -2.339 1.00 0.00 C ATOM 0 HA THR A 6 -0.857 15.187 -4.709 1.00 0.00 H new ATOM 0 HB THR A 6 -3.139 15.404 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.661 17.632 -4.411 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.493 16.200 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.827 14.833 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.312 16.495 -2.656 1.00 0.00 H new ATOM 81 N TYR A 7 -2.371 13.198 -4.837 1.00 0.00 N ATOM 82 CA TYR A 7 -3.078 12.002 -5.262 1.00 0.00 C ATOM 83 C TYR A 7 -3.469 11.139 -4.060 1.00 0.00 C ATOM 84 O TYR A 7 -3.376 11.584 -2.916 1.00 0.00 O ATOM 85 CB TYR A 7 -2.095 11.220 -6.137 1.00 0.00 C ATOM 86 CG TYR A 7 -1.716 11.932 -7.437 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.704 12.399 -8.280 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.387 12.106 -7.766 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.348 13.069 -9.504 1.00 0.00 C ATOM 90 CE2 TYR A 7 -0.031 12.778 -8.991 1.00 0.00 C ATOM 91 CZ TYR A 7 -1.029 13.225 -9.799 1.00 0.00 C ATOM 92 OH TYR A 7 -0.693 13.857 -10.955 1.00 0.00 O ATOM 0 H TYR A 7 -1.611 13.032 -4.178 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.993 12.266 -5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.189 11.026 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.532 10.251 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.744 12.262 -8.022 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.386 11.739 -7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.111 13.439 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.005 12.923 -9.261 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.386 14.511 -11.184 1.00 0.00 H new ATOM 101 N ARG A 8 -3.899 9.924 -4.360 1.00 0.00 N ATOM 102 CA ARG A 8 -4.306 8.996 -3.318 1.00 0.00 C ATOM 103 C ARG A 8 -3.804 7.585 -3.638 1.00 0.00 C ATOM 104 O ARG A 8 -3.622 7.238 -4.804 1.00 0.00 O ATOM 105 CB ARG A 8 -5.829 8.967 -3.169 1.00 0.00 C ATOM 106 CG ARG A 8 -6.473 8.136 -4.281 1.00 0.00 C ATOM 107 CD ARG A 8 -7.684 8.858 -4.873 1.00 0.00 C ATOM 108 NE ARG A 8 -8.825 8.784 -3.934 1.00 0.00 N ATOM 109 CZ ARG A 8 -9.872 9.621 -3.957 1.00 0.00 C ATOM 110 NH1 ARG A 8 -9.929 10.599 -4.872 1.00 0.00 N ATOM 111 NH2 ARG A 8 -10.863 9.479 -3.066 1.00 0.00 N ATOM 0 H ARG A 8 -3.975 9.559 -5.310 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.868 9.338 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.095 8.550 -2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.220 9.984 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.741 7.942 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.780 7.168 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.434 9.900 -5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.957 8.406 -5.827 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.814 8.051 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.176 10.707 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.726 11.236 -4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.821 8.734 -2.370 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.660 10.116 -3.083 1.00 0.00 H new ATOM 122 N MET A 9 -3.597 6.812 -2.582 1.00 0.00 N ATOM 123 CA MET A 9 -3.120 5.448 -2.736 1.00 0.00 C ATOM 124 C MET A 9 -4.104 4.451 -2.120 1.00 0.00 C ATOM 125 O MET A 9 -4.528 4.618 -0.976 1.00 0.00 O ATOM 126 CB MET A 9 -1.756 5.304 -2.061 1.00 0.00 C ATOM 127 CG MET A 9 -1.355 3.833 -1.944 1.00 0.00 C ATOM 128 SD MET A 9 -0.984 3.170 -3.560 1.00 0.00 S ATOM 129 CE MET A 9 0.669 2.560 -3.274 1.00 0.00 C ATOM 0 H MET A 9 -3.751 7.104 -1.617 1.00 0.00 H new ATOM 0 HA MET A 9 -3.031 5.232 -3.801 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.004 5.845 -2.635 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.787 5.756 -1.070 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.486 3.735 -1.294 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.163 3.263 -1.485 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.849 1.689 -3.903 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.391 3.339 -3.517 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.777 2.279 -2.226 1.00 0.00 H new ATOM 137 N LEU A 10 -4.438 3.435 -2.902 1.00 0.00 N ATOM 138 CA LEU A 10 -5.364 2.413 -2.447 1.00 0.00 C ATOM 139 C LEU A 10 -4.593 1.120 -2.169 1.00 0.00 C ATOM 140 O LEU A 10 -3.808 0.672 -3.002 1.00 0.00 O ATOM 141 CB LEU A 10 -6.510 2.243 -3.446 1.00 0.00 C ATOM 142 CG LEU A 10 -6.276 2.830 -4.841 1.00 0.00 C ATOM 143 CD1 LEU A 10 -5.218 2.031 -5.603 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.588 2.934 -5.619 1.00 0.00 C ATOM 0 H LEU A 10 -4.083 3.298 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.832 2.714 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.719 1.178 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.404 2.703 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.890 3.843 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.072 2.470 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.278 2.055 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.549 0.998 -5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.393 3.354 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.027 1.942 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.280 3.580 -5.080 1.00 0.00 H new ATOM 155 N VAL A 11 -4.843 0.561 -0.995 1.00 0.00 N ATOM 156 CA VAL A 11 -4.183 -0.671 -0.597 1.00 0.00 C ATOM 157 C VAL A 11 -5.161 -1.840 -0.744 1.00 0.00 C ATOM 158 O VAL A 11 -6.221 -1.847 -0.121 1.00 0.00 O ATOM 159 CB VAL A 11 -3.626 -0.533 0.821 1.00 0.00 C ATOM 160 CG1 VAL A 11 -4.730 -0.725 1.864 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.473 -1.510 1.055 1.00 0.00 C ATOM 0 H VAL A 11 -5.494 0.938 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.332 -0.875 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.234 0.478 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.308 -0.622 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.504 0.028 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.165 -1.718 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.096 -1.391 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.828 -2.531 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.673 -1.305 0.344 1.00 0.00 H new ATOM 171 N LEU A 12 -4.769 -2.797 -1.571 1.00 0.00 N ATOM 172 CA LEU A 12 -5.597 -3.967 -1.809 1.00 0.00 C ATOM 173 C LEU A 12 -4.924 -5.196 -1.195 1.00 0.00 C ATOM 174 O LEU A 12 -3.722 -5.397 -1.359 1.00 0.00 O ATOM 175 CB LEU A 12 -5.903 -4.114 -3.300 1.00 0.00 C ATOM 176 CG LEU A 12 -4.723 -3.907 -4.251 1.00 0.00 C ATOM 177 CD1 LEU A 12 -4.789 -4.881 -5.427 1.00 0.00 C ATOM 178 CD2 LEU A 12 -4.641 -2.451 -4.714 1.00 0.00 C ATOM 0 H LEU A 12 -3.888 -2.786 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.564 -3.854 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.311 -5.110 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.685 -3.401 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.804 -4.123 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.938 -4.712 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.761 -5.905 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.715 -4.722 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.794 -2.331 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.560 -2.182 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.511 -1.801 -3.849 1.00 0.00 H new ATOM 189 N LEU A 13 -5.729 -5.986 -0.498 1.00 0.00 N ATOM 190 CA LEU A 13 -5.226 -7.192 0.139 1.00 0.00 C ATOM 191 C LEU A 13 -6.175 -8.354 -0.159 1.00 0.00 C ATOM 192 O LEU A 13 -7.393 -8.180 -0.162 1.00 0.00 O ATOM 193 CB LEU A 13 -4.997 -6.952 1.631 1.00 0.00 C ATOM 194 CG LEU A 13 -4.895 -8.205 2.503 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.433 -8.554 2.792 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.710 -8.046 3.789 1.00 0.00 C ATOM 0 H LEU A 13 -6.725 -5.814 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.253 -7.463 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.080 -6.375 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.812 -6.335 2.009 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.324 -9.041 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.388 -9.448 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.910 -8.738 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.958 -7.724 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.620 -8.950 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.333 -7.194 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.758 -7.880 3.538 1.00 0.00 H new ATOM 220 N ASP A 15 -8.052 -11.502 0.818 1.00 0.00 N ATOM 221 CA ASP A 15 -8.567 -12.155 2.009 1.00 0.00 C ATOM 222 C ASP A 15 -9.100 -13.541 1.636 1.00 0.00 C ATOM 223 O ASP A 15 -9.912 -13.671 0.722 1.00 0.00 O ATOM 224 CB ASP A 15 -9.718 -11.355 2.622 1.00 0.00 C ATOM 225 CG ASP A 15 -10.632 -12.150 3.556 1.00 0.00 C ATOM 226 OD1 ASP A 15 -11.492 -12.885 3.022 1.00 0.00 O ATOM 227 OD2 ASP A 15 -10.453 -12.005 4.785 1.00 0.00 O ATOM 0 HA ASP A 15 -7.754 -12.228 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.301 -10.513 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.321 -10.939 1.815 1.00 0.00 H new ATOM 231 N ASP A 16 -8.620 -14.540 2.362 1.00 0.00 N ATOM 232 CA ASP A 16 -9.036 -15.910 2.119 1.00 0.00 C ATOM 233 C ASP A 16 -9.887 -16.394 3.293 1.00 0.00 C ATOM 234 O ASP A 16 -9.406 -16.479 4.421 1.00 0.00 O ATOM 235 CB ASP A 16 -7.828 -16.839 1.994 1.00 0.00 C ATOM 236 CG ASP A 16 -7.955 -17.925 0.924 1.00 0.00 C ATOM 237 OD1 ASP A 16 -8.766 -17.714 -0.006 1.00 0.00 O ATOM 238 OD2 ASP A 16 -7.238 -18.940 1.055 1.00 0.00 O ATOM 0 H ASP A 16 -7.946 -14.427 3.119 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.603 -15.931 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.946 -16.236 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.656 -17.318 2.958 1.00 0.00 H new ATOM 242 N THR A 17 -11.140 -16.703 2.989 1.00 0.00 N ATOM 243 CA THR A 17 -12.063 -17.177 4.005 1.00 0.00 C ATOM 244 C THR A 17 -11.985 -16.292 5.251 1.00 0.00 C ATOM 245 O THR A 17 -11.285 -15.281 5.256 1.00 0.00 O ATOM 246 CB THR A 17 -11.745 -18.648 4.283 1.00 0.00 C ATOM 247 OG1 THR A 17 -10.360 -18.647 4.618 1.00 0.00 O ATOM 248 CG2 THR A 17 -11.825 -19.512 3.023 1.00 0.00 C ATOM 0 H THR A 17 -11.537 -16.634 2.052 1.00 0.00 H new ATOM 0 HA THR A 17 -13.096 -17.112 3.663 1.00 0.00 H new ATOM 0 HB THR A 17 -12.437 -19.034 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.128 -17.797 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.591 -20.546 3.275 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.832 -19.459 2.609 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.110 -19.148 2.286 1.00 0.00 H new ATOM 256 N LYS A 18 -12.712 -16.707 6.278 1.00 0.00 N ATOM 257 CA LYS A 18 -12.733 -15.964 7.528 1.00 0.00 C ATOM 258 C LYS A 18 -13.575 -16.726 8.553 1.00 0.00 C ATOM 259 O LYS A 18 -14.234 -17.707 8.216 1.00 0.00 O ATOM 260 CB LYS A 18 -13.206 -14.529 7.289 1.00 0.00 C ATOM 261 CG LYS A 18 -14.631 -14.504 6.733 1.00 0.00 C ATOM 262 CD LYS A 18 -15.487 -13.471 7.466 1.00 0.00 C ATOM 263 CE LYS A 18 -16.867 -13.340 6.815 1.00 0.00 C ATOM 264 NZ LYS A 18 -16.771 -12.578 5.549 1.00 0.00 N ATOM 0 H LYS A 18 -13.290 -17.547 6.271 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.727 -15.880 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.167 -13.970 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.532 -14.032 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.606 -14.271 5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.081 -15.492 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.600 -13.762 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.984 -12.504 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.280 -14.330 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.552 -12.838 7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.727 -12.366 5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.259 -11.689 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.260 -13.143 4.841 1.00 0.00 H new ATOM 274 N ILE A 19 -13.525 -16.245 9.787 1.00 0.00 N ATOM 275 CA ILE A 19 -14.275 -16.867 10.864 1.00 0.00 C ATOM 276 C ILE A 19 -15.502 -16.012 11.185 1.00 0.00 C ATOM 277 O ILE A 19 -15.460 -14.790 11.066 1.00 0.00 O ATOM 278 CB ILE A 19 -13.369 -17.119 12.072 1.00 0.00 C ATOM 279 CG1 ILE A 19 -12.310 -18.176 11.751 1.00 0.00 C ATOM 280 CG2 ILE A 19 -14.192 -17.488 13.308 1.00 0.00 C ATOM 281 CD1 ILE A 19 -12.954 -19.447 11.194 1.00 0.00 C ATOM 0 H ILE A 19 -12.976 -15.431 10.064 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.640 -17.847 10.557 1.00 0.00 H new ATOM 0 HB ILE A 19 -12.841 -16.194 12.302 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.600 -17.776 11.027 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.745 -18.415 12.652 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.524 -17.662 14.151 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.874 -16.672 13.548 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -14.765 -18.393 13.107 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.179 -20.181 10.974 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.645 -19.858 11.930 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.498 -19.209 10.280 1.00 0.00 H new ATOM 292 N ASN A 20 -16.568 -16.692 11.586 1.00 0.00 N ATOM 293 CA ASN A 20 -17.806 -16.011 11.924 1.00 0.00 C ATOM 294 C ASN A 20 -17.580 -15.133 13.158 1.00 0.00 C ATOM 295 O ASN A 20 -16.462 -14.685 13.407 1.00 0.00 O ATOM 296 CB ASN A 20 -18.913 -17.012 12.254 1.00 0.00 C ATOM 297 CG ASN A 20 -18.663 -17.682 13.608 1.00 0.00 C ATOM 298 OD1 ASN A 20 -19.136 -17.241 14.643 1.00 0.00 O ATOM 299 ND2 ASN A 20 -17.896 -18.766 13.542 1.00 0.00 N ATOM 0 H ASN A 20 -16.599 -17.707 11.684 1.00 0.00 H new ATOM 0 HA ASN A 20 -18.106 -15.412 11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -19.876 -16.502 12.269 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -18.966 -17.771 11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.670 -19.284 14.391 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -17.533 -19.080 12.642 1.00 0.00 H new ATOM 305 N LYS A 21 -18.658 -14.916 13.895 1.00 0.00 N ATOM 306 CA LYS A 21 -18.592 -14.100 15.096 1.00 0.00 C ATOM 307 C LYS A 21 -17.436 -14.585 15.973 1.00 0.00 C ATOM 308 O LYS A 21 -16.943 -13.845 16.822 1.00 0.00 O ATOM 309 CB LYS A 21 -19.944 -14.088 15.810 1.00 0.00 C ATOM 310 CG LYS A 21 -20.341 -12.664 16.207 1.00 0.00 C ATOM 311 CD LYS A 21 -21.052 -12.651 17.563 1.00 0.00 C ATOM 312 CE LYS A 21 -22.049 -11.494 17.648 1.00 0.00 C ATOM 313 NZ LYS A 21 -21.889 -10.763 18.925 1.00 0.00 N ATOM 0 H LYS A 21 -19.583 -15.291 13.684 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.384 -13.061 14.841 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.707 -14.514 15.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -19.896 -14.717 16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.453 -12.034 16.252 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.995 -12.239 15.445 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.573 -13.597 17.714 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.317 -12.562 18.362 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.896 -10.813 16.811 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.066 -11.876 17.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.574 -9.981 18.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.057 -11.412 19.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.924 -10.381 18.988 1.00 0.00 H new ATOM 323 N GLU A 22 -17.038 -15.827 15.738 1.00 0.00 N ATOM 324 CA GLU A 22 -15.952 -16.421 16.498 1.00 0.00 C ATOM 325 C GLU A 22 -14.674 -15.595 16.331 1.00 0.00 C ATOM 326 O GLU A 22 -13.720 -15.761 17.090 1.00 0.00 O ATOM 327 CB GLU A 22 -15.723 -17.875 16.084 1.00 0.00 C ATOM 328 CG GLU A 22 -16.623 -18.821 16.882 1.00 0.00 C ATOM 329 CD GLU A 22 -15.972 -19.205 18.212 1.00 0.00 C ATOM 330 OE1 GLU A 22 -15.635 -18.270 18.970 1.00 0.00 O ATOM 331 OE2 GLU A 22 -15.826 -20.425 18.442 1.00 0.00 O ATOM 0 H GLU A 22 -17.448 -16.438 15.032 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.229 -16.418 17.552 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.923 -17.989 15.019 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.678 -18.142 16.242 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.585 -18.343 17.068 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.822 -19.719 16.297 1.00 0.00 H new ATOM 336 N ASP A 23 -14.696 -14.725 15.333 1.00 0.00 N ATOM 337 CA ASP A 23 -13.552 -13.872 15.056 1.00 0.00 C ATOM 338 C ASP A 23 -14.035 -12.563 14.432 1.00 0.00 C ATOM 339 O ASP A 23 -13.915 -11.500 15.039 1.00 0.00 O ATOM 340 CB ASP A 23 -12.594 -14.542 14.068 1.00 0.00 C ATOM 341 CG ASP A 23 -11.127 -14.127 14.209 1.00 0.00 C ATOM 342 OD1 ASP A 23 -10.680 -14.010 15.371 1.00 0.00 O ATOM 343 OD2 ASP A 23 -10.487 -13.939 13.153 1.00 0.00 O ATOM 0 H ASP A 23 -15.489 -14.592 14.705 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.032 -13.689 15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.664 -15.623 14.193 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.924 -14.316 13.054 1.00 0.00 H new ATOM 347 N GLU A 24 -14.575 -12.682 13.226 1.00 0.00 N ATOM 348 CA GLU A 24 -15.079 -11.520 12.515 1.00 0.00 C ATOM 349 C GLU A 24 -16.239 -11.920 11.602 1.00 0.00 C ATOM 350 O GLU A 24 -16.028 -12.521 10.550 1.00 0.00 O ATOM 351 CB GLU A 24 -13.965 -10.839 11.718 1.00 0.00 C ATOM 352 CG GLU A 24 -12.928 -10.210 12.652 1.00 0.00 C ATOM 353 CD GLU A 24 -13.522 -9.021 13.409 1.00 0.00 C ATOM 354 OE1 GLU A 24 -14.729 -8.768 13.210 1.00 0.00 O ATOM 355 OE2 GLU A 24 -12.755 -8.392 14.170 1.00 0.00 O ATOM 0 H GLU A 24 -14.674 -13.565 12.725 1.00 0.00 H new ATOM 0 HA GLU A 24 -15.448 -10.802 13.247 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.480 -11.568 11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.392 -10.071 11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.572 -10.957 13.362 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.064 -9.883 12.074 1.00 0.00 H new ATOM 360 N LYS A 25 -17.441 -11.570 12.038 1.00 0.00 N ATOM 361 CA LYS A 25 -18.635 -11.884 11.274 1.00 0.00 C ATOM 362 C LYS A 25 -18.748 -10.917 10.093 1.00 0.00 C ATOM 363 O LYS A 25 -19.389 -11.229 9.090 1.00 0.00 O ATOM 364 CB LYS A 25 -19.867 -11.893 12.180 1.00 0.00 C ATOM 365 CG LYS A 25 -21.123 -12.282 11.400 1.00 0.00 C ATOM 366 CD LYS A 25 -21.374 -13.789 11.479 1.00 0.00 C ATOM 367 CE LYS A 25 -22.699 -14.159 10.811 1.00 0.00 C ATOM 368 NZ LYS A 25 -22.888 -15.628 10.817 1.00 0.00 N ATOM 0 H LYS A 25 -17.613 -11.072 12.911 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.567 -12.890 10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.713 -12.594 13.000 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.002 -10.907 12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.984 -11.745 11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.015 -11.982 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.557 -14.323 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.388 -14.105 12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.525 -13.678 11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.713 -13.788 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -23.792 -15.864 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.109 -16.080 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.896 -15.973 11.798 1.00 0.00 H new ATOM 378 N PHE A 26 -18.116 -9.764 10.251 1.00 0.00 N ATOM 379 CA PHE A 26 -18.138 -8.750 9.212 1.00 0.00 C ATOM 380 C PHE A 26 -17.354 -7.508 9.639 1.00 0.00 C ATOM 381 O PHE A 26 -17.941 -6.510 10.054 1.00 0.00 O ATOM 382 CB PHE A 26 -19.603 -8.363 8.994 1.00 0.00 C ATOM 383 CG PHE A 26 -20.221 -8.957 7.727 1.00 0.00 C ATOM 384 CD1 PHE A 26 -19.536 -8.917 6.551 1.00 0.00 C ATOM 385 CD2 PHE A 26 -21.455 -9.527 7.775 1.00 0.00 C ATOM 386 CE1 PHE A 26 -20.110 -9.469 5.376 1.00 0.00 C ATOM 387 CE2 PHE A 26 -22.029 -10.077 6.599 1.00 0.00 C ATOM 388 CZ PHE A 26 -21.344 -10.036 5.424 1.00 0.00 C ATOM 0 H PHE A 26 -17.585 -9.509 11.084 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.680 -9.141 8.303 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -20.186 -8.687 9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -19.678 -7.277 8.948 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.556 -8.465 6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -21.998 -9.561 8.708 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -19.566 -9.438 4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -23.010 -10.528 6.637 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.781 -10.454 4.529 1.00 0.00 H new ATOM 397 N LEU A 27 -16.037 -7.609 9.524 1.00 0.00 N ATOM 398 CA LEU A 27 -15.166 -6.507 9.895 1.00 0.00 C ATOM 399 C LEU A 27 -15.039 -5.543 8.715 1.00 0.00 C ATOM 400 O LEU A 27 -14.988 -5.970 7.562 1.00 0.00 O ATOM 401 CB LEU A 27 -13.824 -7.034 10.406 1.00 0.00 C ATOM 402 CG LEU A 27 -12.713 -7.161 9.362 1.00 0.00 C ATOM 403 CD1 LEU A 27 -11.674 -6.050 9.529 1.00 0.00 C ATOM 404 CD2 LEU A 27 -12.075 -8.552 9.405 1.00 0.00 C ATOM 0 H LEU A 27 -15.553 -8.438 9.179 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.597 -5.943 10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.475 -6.374 11.200 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.988 -8.014 10.855 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.158 -7.041 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.895 -6.164 8.775 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.156 -5.080 9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.229 -6.114 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.289 -8.615 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.647 -8.726 10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.834 -9.307 9.200 1.00 0.00 H new ATOM 415 N LYS A 28 -14.994 -4.260 9.042 1.00 0.00 N ATOM 416 CA LYS A 28 -14.873 -3.231 8.023 1.00 0.00 C ATOM 417 C LYS A 28 -13.413 -3.128 7.578 1.00 0.00 C ATOM 418 O LYS A 28 -12.722 -2.170 7.920 1.00 0.00 O ATOM 419 CB LYS A 28 -15.459 -1.910 8.523 1.00 0.00 C ATOM 420 CG LYS A 28 -16.962 -1.837 8.250 1.00 0.00 C ATOM 421 CD LYS A 28 -17.241 -1.218 6.879 1.00 0.00 C ATOM 422 CE LYS A 28 -18.723 -1.338 6.515 1.00 0.00 C ATOM 423 NZ LYS A 28 -18.891 -2.144 5.286 1.00 0.00 N ATOM 0 H LYS A 28 -15.039 -3.909 9.999 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.456 -3.498 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.275 -1.809 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.956 -1.077 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.392 -2.837 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.448 -1.245 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.948 -0.168 6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.635 -1.715 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.269 -1.800 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.149 -0.346 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.902 -2.215 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.386 -1.687 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.503 -3.097 5.440 1.00 0.00 H new ATOM 433 N GLY A 29 -12.985 -4.129 6.823 1.00 0.00 N ATOM 434 CA GLY A 29 -11.620 -4.163 6.327 1.00 0.00 C ATOM 435 C GLY A 29 -11.420 -5.323 5.349 1.00 0.00 C ATOM 436 O GLY A 29 -10.741 -5.173 4.333 1.00 0.00 O ATOM 0 H GLY A 29 -13.560 -4.923 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.386 -3.221 5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.928 -4.264 7.163 1.00 0.00 H new ATOM 557 N VAL A 38 -9.131 -1.427 -0.183 1.00 0.00 N ATOM 558 CA VAL A 38 -9.752 -1.449 1.130 1.00 0.00 C ATOM 559 C VAL A 38 -9.954 -0.014 1.620 1.00 0.00 C ATOM 560 O VAL A 38 -10.938 0.284 2.293 1.00 0.00 O ATOM 561 CB VAL A 38 -8.916 -2.297 2.090 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.605 -1.591 2.444 1.00 0.00 C ATOM 563 CG2 VAL A 38 -9.710 -2.642 3.351 1.00 0.00 C ATOM 0 HA VAL A 38 -10.736 -1.915 1.079 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.669 -3.230 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.029 -2.215 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.027 -1.419 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.824 -0.636 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.092 -3.245 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.001 -1.723 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.603 -3.204 3.076 1.00 0.00 H new ATOM 573 N ASP A 39 -9.005 0.837 1.261 1.00 0.00 N ATOM 574 CA ASP A 39 -9.065 2.235 1.655 1.00 0.00 C ATOM 575 C ASP A 39 -8.093 3.046 0.797 1.00 0.00 C ATOM 576 O ASP A 39 -7.183 2.486 0.186 1.00 0.00 O ATOM 577 CB ASP A 39 -8.662 2.413 3.122 1.00 0.00 C ATOM 578 CG ASP A 39 -9.630 3.249 3.961 1.00 0.00 C ATOM 579 OD1 ASP A 39 -9.876 4.407 3.557 1.00 0.00 O ATOM 580 OD2 ASP A 39 -10.102 2.713 4.986 1.00 0.00 O ATOM 0 H ASP A 39 -8.190 0.586 0.702 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.090 2.579 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.566 1.428 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.677 2.879 3.159 1.00 0.00 H new ATOM 584 N GLU A 40 -8.316 4.352 0.778 1.00 0.00 N ATOM 585 CA GLU A 40 -7.471 5.245 0.004 1.00 0.00 C ATOM 586 C GLU A 40 -6.941 6.373 0.890 1.00 0.00 C ATOM 587 O GLU A 40 -7.675 6.920 1.712 1.00 0.00 O ATOM 588 CB GLU A 40 -8.226 5.804 -1.204 1.00 0.00 C ATOM 589 CG GLU A 40 -9.556 6.429 -0.779 1.00 0.00 C ATOM 590 CD GLU A 40 -9.336 7.794 -0.125 1.00 0.00 C ATOM 591 OE1 GLU A 40 -8.361 8.465 -0.525 1.00 0.00 O ATOM 592 OE2 GLU A 40 -10.148 8.136 0.761 1.00 0.00 O ATOM 0 H GLU A 40 -9.070 4.813 1.287 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.621 4.675 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.613 6.552 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.409 5.006 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.205 6.539 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.067 5.766 -0.081 1.00 0.00 H new ATOM 597 N LEU A 41 -5.669 6.691 0.692 1.00 0.00 N ATOM 598 CA LEU A 41 -5.032 7.743 1.464 1.00 0.00 C ATOM 599 C LEU A 41 -4.333 8.716 0.512 1.00 0.00 C ATOM 600 O LEU A 41 -3.786 8.304 -0.508 1.00 0.00 O ATOM 601 CB LEU A 41 -4.103 7.144 2.523 1.00 0.00 C ATOM 602 CG LEU A 41 -4.763 6.223 3.551 1.00 0.00 C ATOM 603 CD1 LEU A 41 -4.731 4.767 3.082 1.00 0.00 C ATOM 604 CD2 LEU A 41 -4.126 6.395 4.930 1.00 0.00 C ATOM 0 H LEU A 41 -5.063 6.238 0.008 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.778 8.316 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.318 6.584 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.617 7.961 3.056 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.811 6.509 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.206 4.133 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.267 4.677 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.697 4.452 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.614 5.729 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.065 6.152 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.244 7.427 5.259 1.00 0.00 H new ATOM 615 N ILE A 42 -4.374 9.987 0.882 1.00 0.00 N ATOM 616 CA ILE A 42 -3.753 11.021 0.072 1.00 0.00 C ATOM 617 C ILE A 42 -2.281 11.158 0.469 1.00 0.00 C ATOM 618 O ILE A 42 -1.972 11.504 1.607 1.00 0.00 O ATOM 619 CB ILE A 42 -4.542 12.330 0.176 1.00 0.00 C ATOM 620 CG1 ILE A 42 -6.035 12.088 -0.047 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.982 13.385 -0.781 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.318 11.704 -1.501 1.00 0.00 C ATOM 0 H ILE A 42 -4.827 10.324 1.731 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.776 10.744 -0.982 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.427 12.720 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.381 11.295 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.595 12.987 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.560 14.304 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.940 13.585 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.047 13.018 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.387 11.538 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.993 12.509 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.776 10.791 -1.748 1.00 0.00 H new ATOM 633 N LEU A 43 -1.414 10.879 -0.494 1.00 0.00 N ATOM 634 CA LEU A 43 0.017 10.967 -0.260 1.00 0.00 C ATOM 635 C LEU A 43 0.546 12.277 -0.850 1.00 0.00 C ATOM 636 O LEU A 43 -0.001 12.787 -1.827 1.00 0.00 O ATOM 637 CB LEU A 43 0.726 9.721 -0.795 1.00 0.00 C ATOM 638 CG LEU A 43 -0.182 8.572 -1.238 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.614 8.746 -2.695 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.489 7.219 -0.997 1.00 0.00 C ATOM 0 H LEU A 43 -1.675 10.592 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 43 0.227 10.990 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.346 10.015 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.398 9.349 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.086 8.596 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.259 7.916 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.159 9.684 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.267 8.762 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.178 6.420 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.419 7.168 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.705 7.104 0.065 1.00 0.00 H new ATOM 651 N PRO A 44 1.631 12.794 -0.218 1.00 0.00 N ATOM 652 CA PRO A 44 2.240 14.034 -0.669 1.00 0.00 C ATOM 653 C PRO A 44 3.049 13.813 -1.950 1.00 0.00 C ATOM 654 O PRO A 44 4.149 14.347 -2.094 1.00 0.00 O ATOM 655 CB PRO A 44 3.093 14.503 0.497 1.00 0.00 C ATOM 656 CG PRO A 44 3.299 13.282 1.380 1.00 0.00 C ATOM 657 CD PRO A 44 2.307 12.217 0.942 1.00 0.00 C ATOM 0 HA PRO A 44 1.502 14.791 -0.934 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.047 14.899 0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.597 15.303 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.320 12.913 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.145 13.539 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.813 11.287 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.599 11.984 1.737 1.00 0.00 H new ATOM 662 N PHE A 45 2.473 13.027 -2.847 1.00 0.00 N ATOM 663 CA PHE A 45 3.127 12.727 -4.109 1.00 0.00 C ATOM 664 C PHE A 45 2.678 13.699 -5.203 1.00 0.00 C ATOM 665 O PHE A 45 1.482 13.886 -5.420 1.00 0.00 O ATOM 666 CB PHE A 45 2.712 11.308 -4.503 1.00 0.00 C ATOM 667 CG PHE A 45 2.990 10.962 -5.966 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.111 11.434 -6.576 1.00 0.00 C ATOM 669 CD2 PHE A 45 2.117 10.182 -6.659 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.369 11.112 -7.936 1.00 0.00 C ATOM 671 CE2 PHE A 45 2.375 9.861 -8.018 1.00 0.00 C ATOM 672 CZ PHE A 45 3.495 10.332 -8.628 1.00 0.00 C ATOM 0 H PHE A 45 1.560 12.589 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 45 4.208 12.819 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.238 10.597 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.647 11.184 -4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.805 12.053 -6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.227 9.807 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.259 11.486 -8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.681 9.242 -8.567 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.691 10.087 -9.661 1.00 0.00 H new ATOM 681 N ASN A 46 3.662 14.291 -5.863 1.00 0.00 N ATOM 682 CA ASN A 46 3.383 15.239 -6.930 1.00 0.00 C ATOM 683 C ASN A 46 4.059 14.762 -8.218 1.00 0.00 C ATOM 684 O ASN A 46 5.006 13.978 -8.174 1.00 0.00 O ATOM 685 CB ASN A 46 3.933 16.626 -6.593 1.00 0.00 C ATOM 686 CG ASN A 46 2.803 17.591 -6.236 1.00 0.00 C ATOM 687 OD1 ASN A 46 2.334 17.651 -5.112 1.00 0.00 O ATOM 688 ND2 ASN A 46 2.393 18.344 -7.254 1.00 0.00 N ATOM 0 H ASN A 46 4.653 14.133 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 46 2.302 15.301 -7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.630 16.552 -5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.494 17.015 -7.443 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.643 19.022 -7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.829 18.243 -8.171 1.00 0.00 H new ATOM 694 N VAL A 47 3.545 15.255 -9.335 1.00 0.00 N ATOM 695 CA VAL A 47 4.087 14.891 -10.633 1.00 0.00 C ATOM 696 C VAL A 47 5.445 15.567 -10.822 1.00 0.00 C ATOM 697 O VAL A 47 6.224 15.174 -11.690 1.00 0.00 O ATOM 698 CB VAL A 47 3.086 15.242 -11.736 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.500 14.620 -13.070 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.670 14.813 -11.347 1.00 0.00 C ATOM 0 H VAL A 47 2.759 15.904 -9.368 1.00 0.00 H new ATOM 0 HA VAL A 47 4.249 13.815 -10.690 1.00 0.00 H new ATOM 0 HB VAL A 47 3.087 16.325 -11.857 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.772 14.885 -13.837 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.482 14.995 -13.357 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.542 13.536 -12.968 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.978 15.074 -12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.648 13.735 -11.185 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.374 15.324 -10.431 1.00 0.00 H new ATOM 710 N ASP A 48 5.690 16.574 -9.994 1.00 0.00 N ATOM 711 CA ASP A 48 6.942 17.308 -10.059 1.00 0.00 C ATOM 712 C ASP A 48 7.833 16.891 -8.887 1.00 0.00 C ATOM 713 O ASP A 48 8.503 17.728 -8.286 1.00 0.00 O ATOM 714 CB ASP A 48 6.703 18.815 -9.959 1.00 0.00 C ATOM 715 CG ASP A 48 7.945 19.683 -10.163 1.00 0.00 C ATOM 716 OD1 ASP A 48 8.965 19.118 -10.611 1.00 0.00 O ATOM 717 OD2 ASP A 48 7.848 20.894 -9.866 1.00 0.00 O ATOM 0 H ASP A 48 5.042 16.898 -9.275 1.00 0.00 H new ATOM 0 HA ASP A 48 7.417 17.082 -11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.955 19.099 -10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.281 19.036 -8.979 1.00 0.00 H new ATOM 721 N GLU A 49 7.812 15.599 -8.601 1.00 0.00 N ATOM 722 CA GLU A 49 8.612 15.061 -7.513 1.00 0.00 C ATOM 723 C GLU A 49 8.745 13.543 -7.652 1.00 0.00 C ATOM 724 O GLU A 49 8.713 12.818 -6.658 1.00 0.00 O ATOM 725 CB GLU A 49 8.015 15.436 -6.156 1.00 0.00 C ATOM 726 CG GLU A 49 8.618 16.741 -5.633 1.00 0.00 C ATOM 727 CD GLU A 49 8.874 16.662 -4.126 1.00 0.00 C ATOM 728 OE1 GLU A 49 8.323 15.727 -3.506 1.00 0.00 O ATOM 729 OE2 GLU A 49 9.615 17.537 -3.630 1.00 0.00 O ATOM 0 H GLU A 49 7.254 14.908 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 49 9.608 15.500 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.934 15.542 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.198 14.634 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.553 16.948 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.943 17.569 -5.848 1.00 0.00 H new ATOM 734 N LEU A 50 8.891 13.105 -8.894 1.00 0.00 N ATOM 735 CA LEU A 50 9.030 11.686 -9.176 1.00 0.00 C ATOM 736 C LEU A 50 10.400 11.206 -8.693 1.00 0.00 C ATOM 737 O LEU A 50 10.511 10.139 -8.090 1.00 0.00 O ATOM 738 CB LEU A 50 8.769 11.407 -10.657 1.00 0.00 C ATOM 739 CG LEU A 50 7.301 11.407 -11.090 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.540 10.243 -10.452 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.642 12.754 -10.793 1.00 0.00 C ATOM 0 H LEU A 50 8.916 13.708 -9.716 1.00 0.00 H new ATOM 0 HA LEU A 50 8.280 11.114 -8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.301 12.154 -11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.201 10.437 -10.906 1.00 0.00 H new ATOM 0 HG LEU A 50 7.264 11.262 -12.170 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.500 10.267 -10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.994 9.300 -10.758 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.583 10.331 -9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.600 12.727 -11.110 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.690 12.955 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.166 13.542 -11.334 1.00 0.00 H new ATOM 752 N ASP A 51 11.410 12.018 -8.974 1.00 0.00 N ATOM 753 CA ASP A 51 12.766 11.690 -8.574 1.00 0.00 C ATOM 754 C ASP A 51 12.862 11.708 -7.047 1.00 0.00 C ATOM 755 O ASP A 51 13.410 10.786 -6.444 1.00 0.00 O ATOM 756 CB ASP A 51 13.764 12.711 -9.123 1.00 0.00 C ATOM 757 CG ASP A 51 13.799 12.826 -10.648 1.00 0.00 C ATOM 758 OD1 ASP A 51 14.495 11.992 -11.264 1.00 0.00 O ATOM 759 OD2 ASP A 51 13.128 13.747 -11.163 1.00 0.00 O ATOM 0 H ASP A 51 11.315 12.902 -9.474 1.00 0.00 H new ATOM 0 HA ASP A 51 13.005 10.703 -8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.527 13.689 -8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.761 12.447 -8.771 1.00 0.00 H new ATOM 763 N GLU A 52 12.322 12.769 -6.466 1.00 0.00 N ATOM 764 CA GLU A 52 12.342 12.922 -5.020 1.00 0.00 C ATOM 765 C GLU A 52 11.467 11.853 -4.363 1.00 0.00 C ATOM 766 O GLU A 52 11.808 11.334 -3.300 1.00 0.00 O ATOM 767 CB GLU A 52 11.893 14.326 -4.611 1.00 0.00 C ATOM 768 CG GLU A 52 12.738 14.856 -3.451 1.00 0.00 C ATOM 769 CD GLU A 52 12.013 15.985 -2.716 1.00 0.00 C ATOM 770 OE1 GLU A 52 11.164 15.653 -1.862 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.327 17.155 -3.024 1.00 0.00 O ATOM 0 H GLU A 52 11.868 13.531 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 52 13.367 12.789 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.975 15.001 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.843 14.306 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.956 14.046 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.694 15.218 -3.829 1.00 0.00 H new ATOM 776 N LEU A 53 10.357 11.554 -5.021 1.00 0.00 N ATOM 777 CA LEU A 53 9.431 10.557 -4.513 1.00 0.00 C ATOM 778 C LEU A 53 10.053 9.167 -4.658 1.00 0.00 C ATOM 779 O LEU A 53 9.941 8.335 -3.760 1.00 0.00 O ATOM 780 CB LEU A 53 8.068 10.694 -5.194 1.00 0.00 C ATOM 781 CG LEU A 53 7.032 9.625 -4.844 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.908 10.210 -3.987 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.495 8.947 -6.107 1.00 0.00 C ATOM 0 H LEU A 53 10.078 11.985 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 53 9.248 10.715 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.654 11.670 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.221 10.684 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 53 7.524 8.855 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.185 9.429 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.325 10.608 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.412 11.011 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.760 8.191 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.025 9.692 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.317 8.474 -6.644 1.00 0.00 H new ATOM 794 N ASN A 54 10.698 8.958 -5.797 1.00 0.00 N ATOM 795 CA ASN A 54 11.340 7.684 -6.073 1.00 0.00 C ATOM 796 C ASN A 54 12.457 7.450 -5.054 1.00 0.00 C ATOM 797 O ASN A 54 12.697 6.317 -4.639 1.00 0.00 O ATOM 798 CB ASN A 54 11.961 7.671 -7.470 1.00 0.00 C ATOM 799 CG ASN A 54 11.058 6.943 -8.466 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.170 5.748 -8.689 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.156 7.726 -9.052 1.00 0.00 N ATOM 0 H ASN A 54 10.790 9.651 -6.540 1.00 0.00 H new ATOM 0 HA ASN A 54 10.582 6.903 -6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.129 8.694 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.935 7.184 -7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.505 7.334 -9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.115 8.719 -8.821 1.00 0.00 H new ATOM 807 N THR A 55 13.112 8.540 -4.682 1.00 0.00 N ATOM 808 CA THR A 55 14.199 8.468 -3.720 1.00 0.00 C ATOM 809 C THR A 55 13.648 8.266 -2.306 1.00 0.00 C ATOM 810 O THR A 55 14.175 7.461 -1.541 1.00 0.00 O ATOM 811 CB THR A 55 15.046 9.733 -3.869 1.00 0.00 C ATOM 812 OG1 THR A 55 16.388 9.267 -3.765 1.00 0.00 O ATOM 813 CG2 THR A 55 14.890 10.685 -2.680 1.00 0.00 C ATOM 0 H THR A 55 12.911 9.478 -5.029 1.00 0.00 H new ATOM 0 HA THR A 55 14.840 7.607 -3.910 1.00 0.00 H new ATOM 0 HB THR A 55 14.768 10.249 -4.788 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.005 10.024 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.512 11.567 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.847 10.988 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.200 10.179 -1.766 1.00 0.00 H new ATOM 821 N TRP A 56 12.597 9.012 -2.004 1.00 0.00 N ATOM 822 CA TRP A 56 11.969 8.925 -0.697 1.00 0.00 C ATOM 823 C TRP A 56 11.297 7.556 -0.584 1.00 0.00 C ATOM 824 O TRP A 56 11.396 6.895 0.449 1.00 0.00 O ATOM 825 CB TRP A 56 10.998 10.088 -0.477 1.00 0.00 C ATOM 826 CG TRP A 56 9.550 9.652 -0.245 1.00 0.00 C ATOM 827 CD1 TRP A 56 8.634 9.306 -1.161 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.882 9.530 1.029 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.433 8.970 -0.574 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.588 9.112 0.801 1.00 0.00 C ATOM 831 CE3 TRP A 56 9.357 9.764 2.331 1.00 0.00 C ATOM 832 CZ2 TRP A 56 6.659 8.892 1.826 1.00 0.00 C ATOM 833 CZ3 TRP A 56 8.418 9.541 3.346 1.00 0.00 C ATOM 834 CH2 TRP A 56 7.111 9.120 3.132 1.00 0.00 C ATOM 0 H TRP A 56 12.164 9.680 -2.642 1.00 0.00 H new ATOM 0 HA TRP A 56 12.713 9.013 0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.333 10.671 0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 56 11.034 10.747 -1.344 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.815 9.292 -2.226 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.586 8.672 -1.059 1.00 0.00 H new ATOM 0 HE3 TRP A 56 10.367 10.090 2.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.650 8.565 1.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.731 9.708 4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.446 8.969 3.970 1.00 0.00 H new ATOM 844 N PHE A 57 10.630 7.169 -1.662 1.00 0.00 N ATOM 845 CA PHE A 57 9.941 5.890 -1.696 1.00 0.00 C ATOM 846 C PHE A 57 10.940 4.731 -1.709 1.00 0.00 C ATOM 847 O PHE A 57 10.709 3.701 -1.077 1.00 0.00 O ATOM 848 CB PHE A 57 9.123 5.857 -2.989 1.00 0.00 C ATOM 849 CG PHE A 57 8.158 4.674 -3.085 1.00 0.00 C ATOM 850 CD1 PHE A 57 8.642 3.414 -3.251 1.00 0.00 C ATOM 851 CD2 PHE A 57 6.817 4.882 -3.003 1.00 0.00 C ATOM 852 CE1 PHE A 57 7.747 2.316 -3.340 1.00 0.00 C ATOM 853 CE2 PHE A 57 5.920 3.784 -3.091 1.00 0.00 C ATOM 854 CZ PHE A 57 6.405 2.524 -3.259 1.00 0.00 C ATOM 0 H PHE A 57 10.552 7.718 -2.518 1.00 0.00 H new ATOM 0 HA PHE A 57 9.311 5.782 -0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.555 6.784 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.806 5.825 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.707 3.249 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.433 5.883 -2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 57 8.131 1.315 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.855 3.949 -3.025 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.724 1.688 -3.328 1.00 0.00 H new ATOM 863 N ASP A 58 12.029 4.938 -2.436 1.00 0.00 N ATOM 864 CA ASP A 58 13.064 3.923 -2.540 1.00 0.00 C ATOM 865 C ASP A 58 13.596 3.599 -1.143 1.00 0.00 C ATOM 866 O ASP A 58 13.786 2.433 -0.802 1.00 0.00 O ATOM 867 CB ASP A 58 14.235 4.415 -3.391 1.00 0.00 C ATOM 868 CG ASP A 58 15.467 3.508 -3.383 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.330 2.369 -2.884 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.517 3.972 -3.876 1.00 0.00 O ATOM 0 H ASP A 58 12.217 5.794 -2.959 1.00 0.00 H new ATOM 0 HA ASP A 58 12.626 3.041 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.894 4.530 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.529 5.404 -3.040 1.00 0.00 H new ATOM 874 N LYS A 59 13.823 4.652 -0.373 1.00 0.00 N ATOM 875 CA LYS A 59 14.332 4.495 0.980 1.00 0.00 C ATOM 876 C LYS A 59 13.239 3.891 1.864 1.00 0.00 C ATOM 877 O LYS A 59 13.481 2.922 2.583 1.00 0.00 O ATOM 878 CB LYS A 59 14.882 5.824 1.503 1.00 0.00 C ATOM 879 CG LYS A 59 15.491 5.653 2.897 1.00 0.00 C ATOM 880 CD LYS A 59 14.399 5.536 3.961 1.00 0.00 C ATOM 881 CE LYS A 59 14.899 6.037 5.317 1.00 0.00 C ATOM 882 NZ LYS A 59 15.125 7.498 5.280 1.00 0.00 N ATOM 0 H LYS A 59 13.664 5.618 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 59 15.173 3.801 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.638 6.205 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.082 6.564 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.120 4.763 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.135 6.503 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.526 6.112 3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.081 4.497 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.171 5.796 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.825 5.527 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.013 7.891 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.087 7.692 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.434 7.940 4.641 1.00 0.00 H new ATOM 892 N PHE A 60 12.059 4.489 1.783 1.00 0.00 N ATOM 893 CA PHE A 60 10.928 4.022 2.566 1.00 0.00 C ATOM 894 C PHE A 60 10.552 2.589 2.186 1.00 0.00 C ATOM 895 O PHE A 60 10.074 1.825 3.024 1.00 0.00 O ATOM 896 CB PHE A 60 9.751 4.948 2.249 1.00 0.00 C ATOM 897 CG PHE A 60 9.389 5.906 3.384 1.00 0.00 C ATOM 898 CD1 PHE A 60 10.262 6.882 3.754 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.196 5.782 4.024 1.00 0.00 C ATOM 900 CE1 PHE A 60 9.926 7.772 4.807 1.00 0.00 C ATOM 901 CE2 PHE A 60 7.860 6.672 5.079 1.00 0.00 C ATOM 902 CZ PHE A 60 8.731 7.649 5.448 1.00 0.00 C ATOM 0 H PHE A 60 11.862 5.293 1.187 1.00 0.00 H new ATOM 0 HA PHE A 60 11.180 4.033 3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.990 5.530 1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.879 4.340 2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.210 6.979 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.504 5.007 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.618 8.547 5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.913 6.573 5.588 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.475 8.327 6.249 1.00 0.00 H new ATOM 911 N ASP A 61 10.782 2.266 0.922 1.00 0.00 N ATOM 912 CA ASP A 61 10.474 0.938 0.420 1.00 0.00 C ATOM 913 C ASP A 61 11.225 -0.104 1.253 1.00 0.00 C ATOM 914 O ASP A 61 10.681 -1.162 1.566 1.00 0.00 O ATOM 915 CB ASP A 61 10.914 0.784 -1.038 1.00 0.00 C ATOM 916 CG ASP A 61 10.740 -0.621 -1.619 1.00 0.00 C ATOM 917 OD1 ASP A 61 9.875 -1.352 -1.089 1.00 0.00 O ATOM 918 OD2 ASP A 61 11.476 -0.930 -2.582 1.00 0.00 O ATOM 0 H ASP A 61 11.178 2.902 0.230 1.00 0.00 H new ATOM 0 HA ASP A 61 9.396 0.793 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.348 1.487 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.964 1.067 -1.117 1.00 0.00 H new ATOM 922 N ALA A 62 12.461 0.233 1.588 1.00 0.00 N ATOM 923 CA ALA A 62 13.292 -0.660 2.378 1.00 0.00 C ATOM 924 C ALA A 62 12.848 -0.601 3.842 1.00 0.00 C ATOM 925 O ALA A 62 12.752 -1.630 4.508 1.00 0.00 O ATOM 926 CB ALA A 62 14.763 -0.280 2.201 1.00 0.00 C ATOM 0 H ALA A 62 12.908 1.112 1.327 1.00 0.00 H new ATOM 0 HA ALA A 62 13.178 -1.690 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.386 -0.950 2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.037 -0.365 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.916 0.747 2.534 1.00 0.00 H new ATOM 932 N GLU A 63 12.588 0.615 4.299 1.00 0.00 N ATOM 933 CA GLU A 63 12.156 0.823 5.670 1.00 0.00 C ATOM 934 C GLU A 63 10.829 0.104 5.924 1.00 0.00 C ATOM 935 O GLU A 63 10.574 -0.363 7.033 1.00 0.00 O ATOM 936 CB GLU A 63 12.041 2.314 5.990 1.00 0.00 C ATOM 937 CG GLU A 63 13.283 2.814 6.731 1.00 0.00 C ATOM 938 CD GLU A 63 12.948 4.016 7.615 1.00 0.00 C ATOM 939 OE1 GLU A 63 12.281 4.936 7.094 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.366 3.988 8.794 1.00 0.00 O ATOM 0 H GLU A 63 12.668 1.467 3.743 1.00 0.00 H new ATOM 0 HA GLU A 63 12.909 0.400 6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.912 2.879 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.154 2.492 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.693 2.011 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.053 3.091 6.011 1.00 0.00 H new ATOM 945 N ILE A 64 10.020 0.037 4.877 1.00 0.00 N ATOM 946 CA ILE A 64 8.726 -0.617 4.971 1.00 0.00 C ATOM 947 C ILE A 64 8.885 -2.103 4.639 1.00 0.00 C ATOM 948 O ILE A 64 8.118 -2.935 5.120 1.00 0.00 O ATOM 949 CB ILE A 64 7.697 0.101 4.097 1.00 0.00 C ATOM 950 CG1 ILE A 64 7.085 1.292 4.839 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.627 -0.872 3.596 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.658 0.979 5.297 1.00 0.00 C ATOM 0 H ILE A 64 10.236 0.425 3.959 1.00 0.00 H new ATOM 0 HA ILE A 64 8.342 -0.556 5.989 1.00 0.00 H new ATOM 0 HB ILE A 64 8.210 0.495 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.701 1.543 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.078 2.166 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.908 -0.335 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.098 -1.658 3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.112 -1.316 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.247 1.842 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.039 0.753 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.671 0.120 5.967 1.00 0.00 H new ATOM 963 N CYS A 65 9.886 -2.388 3.820 1.00 0.00 N ATOM 964 CA CYS A 65 10.155 -3.759 3.417 1.00 0.00 C ATOM 965 C CYS A 65 10.868 -4.467 4.571 1.00 0.00 C ATOM 966 O CYS A 65 10.720 -5.676 4.749 1.00 0.00 O ATOM 967 CB CYS A 65 10.967 -3.818 2.122 1.00 0.00 C ATOM 968 SG CYS A 65 11.310 -5.561 1.680 1.00 0.00 S ATOM 0 H CYS A 65 10.521 -1.694 3.424 1.00 0.00 H new ATOM 0 HA CYS A 65 9.216 -4.270 3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.418 -3.331 1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.903 -3.274 2.245 1.00 0.00 H new ATOM 0 HG CYS A 65 11.191 -6.308 2.737 1.00 0.00 H new ATOM 973 N ILE A 66 11.625 -3.684 5.325 1.00 0.00 N ATOM 974 CA ILE A 66 12.362 -4.221 6.457 1.00 0.00 C ATOM 975 C ILE A 66 11.389 -4.928 7.404 1.00 0.00 C ATOM 976 O ILE A 66 11.595 -6.086 7.762 1.00 0.00 O ATOM 977 CB ILE A 66 13.187 -3.121 7.130 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.648 -3.178 6.680 1.00 0.00 C ATOM 979 CG2 ILE A 66 13.053 -3.191 8.653 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.753 -3.115 5.155 1.00 0.00 C ATOM 0 H ILE A 66 11.744 -2.682 5.175 1.00 0.00 H new ATOM 0 HA ILE A 66 13.082 -4.968 6.124 1.00 0.00 H new ATOM 0 HB ILE A 66 12.791 -2.155 6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.201 -2.349 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 66 15.109 -4.097 7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.648 -2.399 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.007 -3.064 8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.408 -4.160 9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.802 -3.157 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.219 -3.959 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.313 -2.184 4.798 1.00 0.00 H new ATOM 991 N PRO A 67 10.322 -4.181 7.795 1.00 0.00 N ATOM 992 CA PRO A 67 9.317 -4.722 8.693 1.00 0.00 C ATOM 993 C PRO A 67 8.404 -5.710 7.965 1.00 0.00 C ATOM 994 O PRO A 67 7.477 -6.259 8.559 1.00 0.00 O ATOM 995 CB PRO A 67 8.574 -3.509 9.229 1.00 0.00 C ATOM 996 CG PRO A 67 8.877 -2.374 8.263 1.00 0.00 C ATOM 997 CD PRO A 67 10.043 -2.804 7.390 1.00 0.00 C ATOM 0 HA PRO A 67 9.750 -5.300 9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.502 -3.700 9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.905 -3.262 10.238 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.004 -2.151 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.124 -1.464 8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.788 -2.746 6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.911 -2.162 7.544 1.00 0.00 H new ATOM 1002 N ASN A 68 8.696 -5.905 6.687 1.00 0.00 N ATOM 1003 CA ASN A 68 7.913 -6.816 5.871 1.00 0.00 C ATOM 1004 C ASN A 68 8.628 -8.167 5.791 1.00 0.00 C ATOM 1005 O ASN A 68 9.856 -8.221 5.743 1.00 0.00 O ATOM 1006 CB ASN A 68 7.754 -6.281 4.446 1.00 0.00 C ATOM 1007 CG ASN A 68 6.969 -4.967 4.437 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.376 -4.564 5.423 1.00 0.00 O ATOM 1009 ND2 ASN A 68 7.000 -4.327 3.272 1.00 0.00 N ATOM 0 H ASN A 68 9.465 -5.447 6.197 1.00 0.00 H new ATOM 0 HA ASN A 68 6.930 -6.919 6.330 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.737 -6.125 4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.240 -7.020 3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.507 -3.441 3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.517 -4.722 2.487 1.00 0.00 H new ATOM 1015 N GLU A 69 7.829 -9.223 5.781 1.00 0.00 N ATOM 1016 CA GLU A 69 8.369 -10.570 5.709 1.00 0.00 C ATOM 1017 C GLU A 69 7.737 -11.335 4.545 1.00 0.00 C ATOM 1018 O GLU A 69 7.054 -12.336 4.753 1.00 0.00 O ATOM 1019 CB GLU A 69 8.165 -11.315 7.030 1.00 0.00 C ATOM 1020 CG GLU A 69 9.450 -11.325 7.859 1.00 0.00 C ATOM 1021 CD GLU A 69 9.762 -12.732 8.373 1.00 0.00 C ATOM 1022 OE1 GLU A 69 9.644 -13.672 7.557 1.00 0.00 O ATOM 1023 OE2 GLU A 69 10.111 -12.835 9.568 1.00 0.00 O ATOM 0 H GLU A 69 6.811 -9.173 5.822 1.00 0.00 H new ATOM 0 HA GLU A 69 9.442 -10.500 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.365 -10.841 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.850 -12.339 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.281 -10.963 7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.349 -10.641 8.701 1.00 0.00 H new ATOM 1028 N GLY A 70 7.985 -10.832 3.345 1.00 0.00 N ATOM 1029 CA GLY A 70 7.447 -11.455 2.147 1.00 0.00 C ATOM 1030 C GLY A 70 7.676 -10.571 0.919 1.00 0.00 C ATOM 1031 O GLY A 70 8.553 -9.709 0.925 1.00 0.00 O ATOM 0 H GLY A 70 8.551 -10.000 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.919 -12.425 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.380 -11.636 2.275 1.00 0.00 H new ATOM 1035 N HIS A 71 6.870 -10.815 -0.104 1.00 0.00 N ATOM 1036 CA HIS A 71 6.972 -10.052 -1.336 1.00 0.00 C ATOM 1037 C HIS A 71 5.917 -8.945 -1.344 1.00 0.00 C ATOM 1038 O HIS A 71 4.846 -9.101 -0.758 1.00 0.00 O ATOM 1039 CB HIS A 71 6.877 -10.971 -2.556 1.00 0.00 C ATOM 1040 CG HIS A 71 7.994 -11.983 -2.652 1.00 0.00 C ATOM 1041 ND1 HIS A 71 7.787 -13.344 -2.519 1.00 0.00 N ATOM 1042 CD2 HIS A 71 9.331 -11.816 -2.868 1.00 0.00 C ATOM 1043 CE1 HIS A 71 8.952 -13.961 -2.652 1.00 0.00 C ATOM 1044 NE2 HIS A 71 9.907 -13.011 -2.868 1.00 0.00 N ATOM 0 H HIS A 71 6.143 -11.531 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 71 7.950 -9.574 -1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.924 -11.499 -2.527 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.876 -10.360 -3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.834 -10.872 -3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 71 9.116 -15.027 -2.599 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.901 -13.190 -3.007 1.00 0.00 H new ATOM 1051 N ILE A 72 6.254 -7.853 -2.013 1.00 0.00 N ATOM 1052 CA ILE A 72 5.347 -6.721 -2.105 1.00 0.00 C ATOM 1053 C ILE A 72 5.402 -6.142 -3.519 1.00 0.00 C ATOM 1054 O ILE A 72 6.466 -6.100 -4.136 1.00 0.00 O ATOM 1055 CB ILE A 72 5.654 -5.698 -1.008 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.753 -4.730 -1.455 1.00 0.00 C ATOM 1057 CG2 ILE A 72 6.004 -6.395 0.309 1.00 0.00 C ATOM 1058 CD1 ILE A 72 7.129 -3.770 -0.324 1.00 0.00 C ATOM 0 H ILE A 72 7.143 -7.727 -2.497 1.00 0.00 H new ATOM 0 HA ILE A 72 4.320 -7.041 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 72 4.756 -5.106 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.633 -5.292 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.413 -4.162 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.218 -5.646 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.163 -7.010 0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.881 -7.026 0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.911 -3.093 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.252 -3.193 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.491 -4.340 0.532 1.00 0.00 H new ATOM 1069 N LYS A 73 4.243 -5.710 -3.993 1.00 0.00 N ATOM 1070 CA LYS A 73 4.146 -5.137 -5.324 1.00 0.00 C ATOM 1071 C LYS A 73 3.334 -3.841 -5.258 1.00 0.00 C ATOM 1072 O LYS A 73 2.386 -3.736 -4.481 1.00 0.00 O ATOM 1073 CB LYS A 73 3.585 -6.163 -6.311 1.00 0.00 C ATOM 1074 CG LYS A 73 2.058 -6.089 -6.371 1.00 0.00 C ATOM 1075 CD LYS A 73 1.488 -7.232 -7.213 1.00 0.00 C ATOM 1076 CE LYS A 73 0.382 -6.728 -8.143 1.00 0.00 C ATOM 1077 NZ LYS A 73 0.556 -7.282 -9.505 1.00 0.00 N ATOM 0 H LYS A 73 3.363 -5.745 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 73 5.136 -4.877 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.000 -5.984 -7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.893 -7.165 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.648 -6.136 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.753 -5.132 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.284 -7.687 -7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.092 -8.009 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.592 -7.017 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.400 -5.639 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.203 -6.930 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.477 -6.986 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.516 -8.320 -9.465 1.00 0.00 H new ATOM 1087 N TYR A 74 3.736 -2.886 -6.084 1.00 0.00 N ATOM 1088 CA TYR A 74 3.058 -1.601 -6.129 1.00 0.00 C ATOM 1089 C TYR A 74 2.940 -1.094 -7.568 1.00 0.00 C ATOM 1090 O TYR A 74 3.676 -1.537 -8.449 1.00 0.00 O ATOM 1091 CB TYR A 74 3.934 -0.634 -5.330 1.00 0.00 C ATOM 1092 CG TYR A 74 5.435 -0.814 -5.566 1.00 0.00 C ATOM 1093 CD1 TYR A 74 6.016 -0.321 -6.718 1.00 0.00 C ATOM 1094 CD2 TYR A 74 6.210 -1.467 -4.629 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.428 -0.490 -6.941 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.622 -1.636 -4.852 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.162 -1.139 -5.997 1.00 0.00 C ATOM 1098 OH TYR A 74 9.496 -1.298 -6.207 1.00 0.00 O ATOM 0 H TYR A 74 4.522 -2.976 -6.727 1.00 0.00 H new ATOM 0 HA TYR A 74 2.050 -1.684 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.656 0.388 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.725 -0.764 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.411 0.191 -7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.756 -1.852 -3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.894 -0.110 -7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.239 -2.146 -4.127 1.00 0.00 H new ATOM 0 HH TYR A 74 9.891 -1.778 -5.450 1.00 0.00 H new ATOM 1107 N GLU A 75 2.008 -0.171 -7.761 1.00 0.00 N ATOM 1108 CA GLU A 75 1.784 0.401 -9.078 1.00 0.00 C ATOM 1109 C GLU A 75 1.590 1.914 -8.972 1.00 0.00 C ATOM 1110 O GLU A 75 0.616 2.379 -8.382 1.00 0.00 O ATOM 1111 CB GLU A 75 0.588 -0.259 -9.766 1.00 0.00 C ATOM 1112 CG GLU A 75 0.963 -0.751 -11.165 1.00 0.00 C ATOM 1113 CD GLU A 75 0.969 -2.279 -11.226 1.00 0.00 C ATOM 1114 OE1 GLU A 75 -0.132 -2.846 -11.396 1.00 0.00 O ATOM 1115 OE2 GLU A 75 2.076 -2.847 -11.103 1.00 0.00 O ATOM 0 H GLU A 75 1.400 0.194 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 75 2.664 0.209 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.235 -1.097 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.235 0.453 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.255 -0.357 -11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.947 -0.369 -11.437 1.00 0.00 H new ATOM 1120 N ILE A 76 2.532 2.641 -9.554 1.00 0.00 N ATOM 1121 CA ILE A 76 2.477 4.094 -9.533 1.00 0.00 C ATOM 1122 C ILE A 76 2.435 4.618 -10.970 1.00 0.00 C ATOM 1123 O ILE A 76 3.405 4.480 -11.713 1.00 0.00 O ATOM 1124 CB ILE A 76 3.630 4.663 -8.703 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.680 4.014 -7.318 1.00 0.00 C ATOM 1126 CG2 ILE A 76 3.546 6.188 -8.621 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.441 4.897 -6.328 1.00 0.00 C ATOM 0 H ILE A 76 3.338 2.252 -10.043 1.00 0.00 H new ATOM 0 HA ILE A 76 1.565 4.434 -9.042 1.00 0.00 H new ATOM 0 HB ILE A 76 4.566 4.420 -9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.666 3.844 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.162 3.039 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.377 6.567 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.597 6.610 -9.625 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.604 6.476 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.462 4.414 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.461 5.045 -6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.942 5.863 -6.244 1.00 0.00 H new ATOM 1138 N SER A 77 1.301 5.210 -11.317 1.00 0.00 N ATOM 1139 CA SER A 77 1.121 5.755 -12.652 1.00 0.00 C ATOM 1140 C SER A 77 1.458 7.248 -12.657 1.00 0.00 C ATOM 1141 O SER A 77 0.838 8.031 -11.939 1.00 0.00 O ATOM 1142 CB SER A 77 -0.309 5.533 -13.148 1.00 0.00 C ATOM 1143 OG SER A 77 -0.424 4.347 -13.931 1.00 0.00 O ATOM 0 H SER A 77 0.499 5.324 -10.697 1.00 0.00 H new ATOM 0 HA SER A 77 1.798 5.234 -13.329 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.983 5.471 -12.294 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.624 6.391 -13.741 1.00 0.00 H new ATOM 0 HG SER A 77 -1.352 4.239 -14.227 1.00 0.00 H new ATOM 1148 N SER A 78 2.439 7.596 -13.475 1.00 0.00 N ATOM 1149 CA SER A 78 2.866 8.980 -13.585 1.00 0.00 C ATOM 1150 C SER A 78 1.654 9.887 -13.814 1.00 0.00 C ATOM 1151 O SER A 78 1.705 11.081 -13.526 1.00 0.00 O ATOM 1152 CB SER A 78 3.882 9.156 -14.715 1.00 0.00 C ATOM 1153 OG SER A 78 5.021 8.318 -14.546 1.00 0.00 O ATOM 0 H SER A 78 2.951 6.943 -14.068 1.00 0.00 H new ATOM 0 HA SER A 78 3.351 9.262 -12.650 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.405 8.931 -15.669 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.201 10.197 -14.756 1.00 0.00 H new ATOM 0 HG SER A 78 5.644 8.459 -15.289 1.00 0.00 H new ATOM 1158 N ASP A 79 0.594 9.281 -14.328 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.629 10.019 -14.600 1.00 0.00 C ATOM 1160 C ASP A 79 -1.140 10.648 -13.302 1.00 0.00 C ATOM 1161 O ASP A 79 -1.745 11.717 -13.322 1.00 0.00 O ATOM 1162 CB ASP A 79 -1.721 9.093 -15.139 1.00 0.00 C ATOM 1163 CG ASP A 79 -1.691 8.870 -16.652 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -0.694 8.279 -17.119 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -2.666 9.296 -17.308 1.00 0.00 O ATOM 0 H ASP A 79 0.556 8.289 -14.563 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.404 10.783 -15.344 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.634 8.126 -14.643 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.693 9.505 -14.867 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.875 9.955 -12.202 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.300 10.432 -10.898 1.00 0.00 C ATOM 1171 C GLY A 80 -2.153 9.382 -10.182 1.00 0.00 C ATOM 1172 O GLY A 80 -3.143 9.718 -9.536 1.00 0.00 O ATOM 0 H GLY A 80 -0.372 9.068 -12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.426 10.671 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.871 11.354 -11.012 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.737 8.131 -10.322 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.450 7.031 -9.697 1.00 0.00 C ATOM 1178 C LEU A 81 -1.446 6.103 -9.011 1.00 0.00 C ATOM 1179 O LEU A 81 -0.497 5.636 -9.640 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.344 6.324 -10.718 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.763 5.994 -10.252 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -5.478 7.249 -9.742 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.555 5.294 -11.358 1.00 0.00 C ATOM 0 H LEU A 81 -0.915 7.856 -10.859 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.122 7.402 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.411 6.950 -11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.856 5.396 -11.018 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.695 5.299 -9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.485 6.987 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.923 7.668 -8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.536 7.986 -10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.560 5.071 -11.000 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.617 5.946 -12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.053 4.366 -11.633 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.690 5.863 -7.731 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.819 5.000 -6.952 1.00 0.00 C ATOM 1196 C ILE A 82 -1.655 3.904 -6.287 1.00 0.00 C ATOM 1197 O ILE A 82 -2.671 4.192 -5.655 1.00 0.00 O ATOM 1198 CB ILE A 82 0.011 5.824 -5.967 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.520 7.110 -6.621 1.00 0.00 C ATOM 1200 CG2 ILE A 82 1.152 4.991 -5.379 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.509 8.235 -6.491 1.00 0.00 C ATOM 0 H ILE A 82 -2.479 6.251 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.098 4.502 -7.600 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.634 6.116 -5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.457 7.414 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.733 6.927 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.726 5.601 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.740 4.130 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.804 4.648 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.123 9.138 -6.964 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.437 7.938 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.702 8.432 -5.436 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.198 2.672 -6.451 1.00 0.00 N ATOM 1213 CA VAL A 83 -1.893 1.534 -5.875 1.00 0.00 C ATOM 1214 C VAL A 83 -0.884 0.640 -5.150 1.00 0.00 C ATOM 1215 O VAL A 83 0.238 0.457 -5.619 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.674 0.792 -6.961 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.728 0.192 -8.004 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.574 -0.285 -6.352 1.00 0.00 C ATOM 0 H VAL A 83 -0.355 2.437 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.624 1.867 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.314 1.515 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.309 -0.330 -8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.150 0.989 -8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.050 -0.511 -7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.118 -0.797 -7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.963 -1.005 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.284 0.179 -5.667 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.320 0.109 -4.017 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.469 -0.761 -3.222 1.00 0.00 C ATOM 1230 C LEU A 84 -1.084 -2.160 -3.171 1.00 0.00 C ATOM 1231 O LEU A 84 -2.261 -2.314 -2.847 1.00 0.00 O ATOM 1232 CB LEU A 84 -0.218 -0.148 -1.842 1.00 0.00 C ATOM 1233 CG LEU A 84 1.142 -0.455 -1.211 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.343 -1.963 -1.047 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.277 0.192 -2.009 1.00 0.00 C ATOM 0 H LEU A 84 -2.251 0.264 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 84 0.513 -0.861 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.324 0.934 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.998 -0.495 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 84 1.161 -0.017 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.317 -2.153 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.561 -2.367 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.294 -2.445 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.232 -0.042 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.271 -0.193 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.138 1.273 -2.029 1.00 0.00 H new ATOM 1246 N MET A 85 -0.259 -3.146 -3.495 1.00 0.00 N ATOM 1247 CA MET A 85 -0.707 -4.528 -3.489 1.00 0.00 C ATOM 1248 C MET A 85 0.116 -5.368 -2.510 1.00 0.00 C ATOM 1249 O MET A 85 1.318 -5.543 -2.695 1.00 0.00 O ATOM 1250 CB MET A 85 -0.576 -5.113 -4.898 1.00 0.00 C ATOM 1251 CG MET A 85 -1.774 -4.722 -5.767 1.00 0.00 C ATOM 1252 SD MET A 85 -1.235 -3.701 -7.127 1.00 0.00 S ATOM 1253 CE MET A 85 -0.516 -2.339 -6.224 1.00 0.00 C ATOM 0 H MET A 85 0.716 -3.015 -3.763 1.00 0.00 H new ATOM 0 HA MET A 85 -1.749 -4.551 -3.171 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.345 -4.756 -5.360 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.503 -6.199 -4.840 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.266 -5.618 -6.147 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.509 -4.185 -5.167 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.111 -1.610 -6.926 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.282 -1.865 -5.610 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.284 -2.709 -5.583 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.566 -5.865 -1.489 1.00 0.00 N ATOM 1262 CA LEU A 86 0.086 -6.684 -0.481 1.00 0.00 C ATOM 1263 C LEU A 86 -0.708 -7.978 -0.288 1.00 0.00 C ATOM 1264 O LEU A 86 -1.934 -7.979 -0.384 1.00 0.00 O ATOM 1265 CB LEU A 86 0.283 -5.887 0.810 1.00 0.00 C ATOM 1266 CG LEU A 86 0.991 -4.537 0.664 1.00 0.00 C ATOM 1267 CD1 LEU A 86 1.030 -3.791 1.999 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.387 -4.713 0.064 1.00 0.00 C ATOM 0 H LEU A 86 -1.564 -5.716 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 86 1.085 -6.969 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.695 -5.715 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.853 -6.500 1.509 1.00 0.00 H new ATOM 0 HG LEU A 86 0.417 -3.923 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.538 -2.836 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.012 -3.616 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.567 -4.389 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.868 -3.739 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.984 -5.352 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.304 -5.173 -0.921 1.00 0.00 H new ATOM 1279 N ASP A 87 0.025 -9.049 -0.022 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.595 -10.347 0.186 1.00 0.00 C ATOM 1281 C ASP A 87 -1.041 -10.466 1.644 1.00 0.00 C ATOM 1282 O ASP A 87 -0.700 -9.624 2.473 1.00 0.00 O ATOM 1283 CB ASP A 87 0.391 -11.480 -0.101 1.00 0.00 C ATOM 1284 CG ASP A 87 0.363 -12.014 -1.535 1.00 0.00 C ATOM 1285 OD1 ASP A 87 0.603 -11.196 -2.451 1.00 0.00 O ATOM 1286 OD2 ASP A 87 0.103 -13.227 -1.684 1.00 0.00 O ATOM 0 H ASP A 87 1.042 -9.045 0.054 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.444 -10.428 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.399 -11.129 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.183 -12.304 0.582 1.00 0.00 H new ATOM 1290 N LYS A 88 -1.798 -11.520 1.914 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.294 -11.761 3.258 1.00 0.00 C ATOM 1292 C LYS A 88 -1.127 -12.163 4.163 1.00 0.00 C ATOM 1293 O LYS A 88 -1.080 -11.775 5.330 1.00 0.00 O ATOM 1294 CB LYS A 88 -3.433 -12.782 3.234 1.00 0.00 C ATOM 1295 CG LYS A 88 -4.130 -12.857 4.594 1.00 0.00 C ATOM 1296 CD LYS A 88 -5.547 -12.286 4.518 1.00 0.00 C ATOM 1297 CE LYS A 88 -6.288 -12.478 5.843 1.00 0.00 C ATOM 1298 NZ LYS A 88 -6.177 -13.882 6.298 1.00 0.00 N ATOM 0 H LYS A 88 -2.080 -12.217 1.224 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.723 -10.850 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.156 -12.508 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.041 -13.764 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.170 -13.893 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.551 -12.304 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.503 -11.225 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.098 -12.776 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.874 -11.810 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.338 -12.210 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.912 -14.076 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.302 -14.521 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.239 -14.037 6.720 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.215 -12.935 3.590 1.00 0.00 N ATOM 1309 CA GLU A 89 0.948 -13.393 4.332 1.00 0.00 C ATOM 1310 C GLU A 89 1.805 -12.202 4.764 1.00 0.00 C ATOM 1311 O GLU A 89 2.706 -12.348 5.589 1.00 0.00 O ATOM 1312 CB GLU A 89 1.768 -14.386 3.504 1.00 0.00 C ATOM 1313 CG GLU A 89 2.263 -13.743 2.208 1.00 0.00 C ATOM 1314 CD GLU A 89 1.817 -14.554 0.990 1.00 0.00 C ATOM 1315 OE1 GLU A 89 0.675 -15.061 1.031 1.00 0.00 O ATOM 1316 OE2 GLU A 89 2.629 -14.651 0.043 1.00 0.00 O ATOM 0 H GLU A 89 -0.258 -13.255 2.622 1.00 0.00 H new ATOM 0 HA GLU A 89 0.604 -13.911 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.619 -14.736 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.160 -15.260 3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.879 -12.726 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.351 -13.673 2.225 1.00 0.00 H new ATOM 1321 N ILE A 90 1.495 -11.049 4.186 1.00 0.00 N ATOM 1322 CA ILE A 90 2.227 -9.835 4.501 1.00 0.00 C ATOM 1323 C ILE A 90 1.238 -8.740 4.909 1.00 0.00 C ATOM 1324 O ILE A 90 1.500 -7.555 4.707 1.00 0.00 O ATOM 1325 CB ILE A 90 3.136 -9.439 3.335 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.322 -8.856 2.180 1.00 0.00 C ATOM 1327 CG2 ILE A 90 4.000 -10.620 2.889 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.239 -8.281 1.098 1.00 0.00 C ATOM 0 H ILE A 90 0.747 -10.931 3.502 1.00 0.00 H new ATOM 0 HA ILE A 90 2.890 -10.000 5.350 1.00 0.00 H new ATOM 0 HB ILE A 90 3.813 -8.657 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.688 -9.631 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.661 -8.074 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.637 -10.312 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.622 -10.950 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.358 -11.440 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.635 -7.873 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.855 -7.490 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.882 -9.070 0.709 1.00 0.00 H new ATOM 1339 N GLU A 91 0.122 -9.177 5.474 1.00 0.00 N ATOM 1340 CA GLU A 91 -0.907 -8.248 5.911 1.00 0.00 C ATOM 1341 C GLU A 91 -0.309 -7.188 6.837 1.00 0.00 C ATOM 1342 O GLU A 91 -0.845 -6.089 6.958 1.00 0.00 O ATOM 1343 CB GLU A 91 -2.058 -8.988 6.595 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.202 -8.030 6.936 1.00 0.00 C ATOM 1345 CD GLU A 91 -4.021 -8.552 8.118 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -3.392 -8.853 9.155 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -5.257 -8.638 7.957 1.00 0.00 O ATOM 0 H GLU A 91 -0.092 -10.160 5.639 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.312 -7.746 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.425 -9.780 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.697 -9.467 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.798 -7.046 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.849 -7.906 6.067 1.00 0.00 H new ATOM 1352 N GLU A 92 0.796 -7.558 7.469 1.00 0.00 N ATOM 1353 CA GLU A 92 1.473 -6.652 8.383 1.00 0.00 C ATOM 1354 C GLU A 92 1.853 -5.358 7.663 1.00 0.00 C ATOM 1355 O GLU A 92 1.588 -4.265 8.162 1.00 0.00 O ATOM 1356 CB GLU A 92 2.706 -7.318 9.002 1.00 0.00 C ATOM 1357 CG GLU A 92 3.666 -7.807 7.916 1.00 0.00 C ATOM 1358 CD GLU A 92 4.501 -8.987 8.415 1.00 0.00 C ATOM 1359 OE1 GLU A 92 3.892 -10.051 8.660 1.00 0.00 O ATOM 1360 OE2 GLU A 92 5.731 -8.802 8.540 1.00 0.00 O ATOM 0 H GLU A 92 1.239 -8.471 7.367 1.00 0.00 H new ATOM 0 HA GLU A 92 0.788 -6.406 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.218 -6.610 9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.397 -8.158 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.101 -8.104 7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.324 -6.993 7.614 1.00 0.00 H new ATOM 1365 N VAL A 93 2.469 -5.523 6.502 1.00 0.00 N ATOM 1366 CA VAL A 93 2.888 -4.380 5.708 1.00 0.00 C ATOM 1367 C VAL A 93 1.661 -3.542 5.341 1.00 0.00 C ATOM 1368 O VAL A 93 1.747 -2.320 5.236 1.00 0.00 O ATOM 1369 CB VAL A 93 3.674 -4.853 4.484 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.796 -5.695 3.558 1.00 0.00 C ATOM 1371 CG2 VAL A 93 4.285 -3.668 3.733 1.00 0.00 C ATOM 0 H VAL A 93 2.688 -6.431 6.092 1.00 0.00 H new ATOM 0 HA VAL A 93 3.559 -3.742 6.283 1.00 0.00 H new ATOM 0 HB VAL A 93 4.490 -5.484 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.381 -6.018 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.432 -6.569 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.949 -5.099 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.838 -4.032 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.491 -2.999 3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.962 -3.127 4.395 1.00 0.00 H new ATOM 1381 N VAL A 94 0.545 -4.234 5.156 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.698 -3.569 4.803 1.00 0.00 C ATOM 1383 C VAL A 94 -0.982 -2.456 5.815 1.00 0.00 C ATOM 1384 O VAL A 94 -1.257 -1.320 5.433 1.00 0.00 O ATOM 1385 CB VAL A 94 -1.830 -4.593 4.708 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -2.861 -4.377 5.815 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.491 -4.551 3.328 1.00 0.00 C ATOM 0 H VAL A 94 0.476 -5.248 5.244 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.616 -3.102 3.821 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.397 -5.584 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.654 -5.119 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.378 -4.480 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.287 -3.378 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.293 -5.288 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.903 -3.557 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.749 -4.778 2.562 1.00 0.00 H new ATOM 1397 N GLU A 95 -0.905 -2.822 7.085 1.00 0.00 N ATOM 1398 CA GLU A 95 -1.151 -1.871 8.155 1.00 0.00 C ATOM 1399 C GLU A 95 -0.004 -0.863 8.242 1.00 0.00 C ATOM 1400 O GLU A 95 -0.220 0.303 8.570 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.354 -2.586 9.491 1.00 0.00 C ATOM 1402 CG GLU A 95 -2.165 -3.871 9.308 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.870 -4.264 10.609 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -2.158 -4.742 11.517 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -4.104 -4.079 10.662 1.00 0.00 O ATOM 0 H GLU A 95 -0.675 -3.765 7.398 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.070 -1.330 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.386 -2.823 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.868 -1.924 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.903 -3.730 8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.506 -4.679 8.989 1.00 0.00 H new ATOM 1410 N LYS A 96 1.193 -1.348 7.941 1.00 0.00 N ATOM 1411 CA LYS A 96 2.374 -0.504 7.980 1.00 0.00 C ATOM 1412 C LYS A 96 2.326 0.489 6.817 1.00 0.00 C ATOM 1413 O LYS A 96 2.879 1.584 6.907 1.00 0.00 O ATOM 1414 CB LYS A 96 3.643 -1.359 8.006 1.00 0.00 C ATOM 1415 CG LYS A 96 3.526 -2.482 9.041 1.00 0.00 C ATOM 1416 CD LYS A 96 4.633 -2.376 10.091 1.00 0.00 C ATOM 1417 CE LYS A 96 4.155 -2.908 11.445 1.00 0.00 C ATOM 1418 NZ LYS A 96 5.262 -3.589 12.153 1.00 0.00 N ATOM 0 H LYS A 96 1.369 -2.315 7.669 1.00 0.00 H new ATOM 0 HA LYS A 96 2.392 0.082 8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.818 -1.786 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.504 -0.732 8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.552 -2.433 9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.584 -3.449 8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.506 -2.939 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.944 -1.336 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.778 -2.086 12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.327 -3.602 11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.922 -3.944 13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.604 -4.386 11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.040 -2.917 12.310 1.00 0.00 H new ATOM 1428 N VAL A 97 1.660 0.069 5.751 1.00 0.00 N ATOM 1429 CA VAL A 97 1.533 0.908 4.571 1.00 0.00 C ATOM 1430 C VAL A 97 0.492 1.999 4.836 1.00 0.00 C ATOM 1431 O VAL A 97 0.719 3.166 4.525 1.00 0.00 O ATOM 1432 CB VAL A 97 1.200 0.046 3.351 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.417 0.851 2.310 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.468 -0.554 2.741 1.00 0.00 C ATOM 0 H VAL A 97 1.203 -0.840 5.680 1.00 0.00 H new ATOM 0 HA VAL A 97 2.477 1.407 4.352 1.00 0.00 H new ATOM 0 HB VAL A 97 0.568 -0.777 3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.192 0.216 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.514 1.208 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.014 1.703 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.203 -1.162 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.137 0.248 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.969 -1.177 3.482 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.627 1.577 5.405 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.704 2.502 5.715 1.00 0.00 C ATOM 1446 C LYS A 98 -1.179 3.596 6.647 1.00 0.00 C ATOM 1447 O LYS A 98 -1.423 4.780 6.419 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.915 1.751 6.270 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.905 1.406 5.156 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.328 1.286 5.705 1.00 0.00 C ATOM 1451 CE LYS A 98 -5.881 2.656 6.098 1.00 0.00 C ATOM 1452 NZ LYS A 98 -5.736 2.878 7.554 1.00 0.00 N ATOM 0 H LYS A 98 -0.812 0.607 5.660 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.054 2.995 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.585 0.837 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.410 2.361 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.873 2.175 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.614 0.468 4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.974 0.831 4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.333 0.626 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.354 3.438 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.932 2.724 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.674 3.026 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.287 2.047 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.145 3.717 7.720 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.468 3.162 7.676 1.00 0.00 N ATOM 1463 CA LYS A 99 0.094 4.089 8.643 1.00 0.00 C ATOM 1464 C LYS A 99 1.185 4.922 7.970 1.00 0.00 C ATOM 1465 O LYS A 99 1.336 6.107 8.266 1.00 0.00 O ATOM 1466 CB LYS A 99 0.573 3.339 9.889 1.00 0.00 C ATOM 1467 CG LYS A 99 1.624 2.289 9.526 1.00 0.00 C ATOM 1468 CD LYS A 99 3.038 2.860 9.657 1.00 0.00 C ATOM 1469 CE LYS A 99 3.714 2.358 10.936 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.820 3.452 11.929 1.00 0.00 N ATOM 0 H LYS A 99 -0.268 2.179 7.862 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.669 4.785 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.992 4.046 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.275 2.857 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.517 1.422 10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.461 1.944 8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.632 2.572 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.995 3.949 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.142 1.531 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.707 1.973 10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.281 3.095 12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.385 4.229 11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.869 3.801 12.164 1.00 0.00 H new ATOM 1480 N PHE A 100 1.917 4.272 7.078 1.00 0.00 N ATOM 1481 CA PHE A 100 2.990 4.939 6.360 1.00 0.00 C ATOM 1482 C PHE A 100 2.444 6.069 5.485 1.00 0.00 C ATOM 1483 O PHE A 100 2.908 7.206 5.571 1.00 0.00 O ATOM 1484 CB PHE A 100 3.649 3.888 5.466 1.00 0.00 C ATOM 1485 CG PHE A 100 4.006 4.398 4.068 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.815 5.483 3.925 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.515 3.766 2.968 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.146 5.955 2.627 1.00 0.00 C ATOM 1489 CE2 PHE A 100 3.846 4.238 1.670 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.654 5.324 1.527 1.00 0.00 C ATOM 0 H PHE A 100 1.788 3.290 6.836 1.00 0.00 H new ATOM 0 HA PHE A 100 3.698 5.373 7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.555 3.528 5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.978 3.034 5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.205 5.985 4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.873 2.905 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.789 6.815 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.457 3.735 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.904 5.685 0.540 1.00 0.00 H new ATOM 1499 N VAL A 101 1.469 5.717 4.661 1.00 0.00 N ATOM 1500 CA VAL A 101 0.855 6.688 3.771 1.00 0.00 C ATOM 1501 C VAL A 101 0.263 7.831 4.598 1.00 0.00 C ATOM 1502 O VAL A 101 0.523 9.001 4.322 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.179 5.997 2.878 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -0.968 7.022 2.060 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.485 4.963 1.967 1.00 0.00 C ATOM 0 H VAL A 101 1.089 4.773 4.591 1.00 0.00 H new ATOM 0 HA VAL A 101 1.602 7.123 3.106 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.881 5.471 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.696 6.506 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.488 7.703 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.283 7.588 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.272 4.488 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.220 5.457 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.981 4.207 2.576 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.520 7.450 5.597 1.00 0.00 N ATOM 1516 CA GLU A 102 -1.152 8.430 6.465 1.00 0.00 C ATOM 1517 C GLU A 102 -0.101 9.127 7.332 1.00 0.00 C ATOM 1518 O GLU A 102 -0.333 10.226 7.833 1.00 0.00 O ATOM 1519 CB GLU A 102 -2.230 7.778 7.332 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.629 7.195 8.612 1.00 0.00 C ATOM 1521 CD GLU A 102 -1.926 8.092 9.816 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -3.101 8.501 9.943 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -0.972 8.349 10.582 1.00 0.00 O ATOM 0 H GLU A 102 -0.731 6.478 5.825 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.637 9.181 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.991 8.515 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.727 6.989 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.035 6.199 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.551 7.084 8.494 1.00 0.00 H new ATOM 1528 N GLU A 103 1.035 8.461 7.480 1.00 0.00 N ATOM 1529 CA GLU A 103 2.123 9.003 8.276 1.00 0.00 C ATOM 1530 C GLU A 103 2.760 10.197 7.561 1.00 0.00 C ATOM 1531 O GLU A 103 3.127 11.183 8.198 1.00 0.00 O ATOM 1532 CB GLU A 103 3.167 7.928 8.582 1.00 0.00 C ATOM 1533 CG GLU A 103 2.887 7.260 9.931 1.00 0.00 C ATOM 1534 CD GLU A 103 3.600 7.997 11.066 1.00 0.00 C ATOM 1535 OE1 GLU A 103 4.735 8.460 10.817 1.00 0.00 O ATOM 1536 OE2 GLU A 103 2.997 8.081 12.156 1.00 0.00 O ATOM 0 H GLU A 103 1.225 7.550 7.062 1.00 0.00 H new ATOM 0 HA GLU A 103 1.715 9.348 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.163 7.177 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.161 8.374 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.813 7.247 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.218 6.222 9.902 1.00 0.00 H new ATOM 1541 N ASN A 104 2.869 10.069 6.247 1.00 0.00 N ATOM 1542 CA ASN A 104 3.453 11.125 5.439 1.00 0.00 C ATOM 1543 C ASN A 104 2.346 12.067 4.960 1.00 0.00 C ATOM 1544 O ASN A 104 2.620 13.191 4.538 1.00 0.00 O ATOM 1545 CB ASN A 104 4.154 10.552 4.204 1.00 0.00 C ATOM 1546 CG ASN A 104 5.542 11.171 4.025 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.846 11.794 3.022 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.363 10.964 5.050 1.00 0.00 N ATOM 0 H ASN A 104 2.563 9.250 5.722 1.00 0.00 H new ATOM 0 HA ASN A 104 4.181 11.655 6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.244 9.470 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.550 10.743 3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.312 11.336 5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.044 10.433 5.860 1.00 0.00 H new ATOM 1554 N ASN A 105 1.119 11.575 5.039 1.00 0.00 N ATOM 1555 CA ASN A 105 -0.030 12.357 4.619 1.00 0.00 C ATOM 1556 C ASN A 105 0.158 13.808 5.062 1.00 0.00 C ATOM 1557 O ASN A 105 -0.363 14.727 4.430 1.00 0.00 O ATOM 1558 CB ASN A 105 -1.318 11.831 5.255 1.00 0.00 C ATOM 1559 CG ASN A 105 -2.274 11.286 4.192 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -1.904 10.115 3.681 1.00 0.00 O flip ATOM 1561 ND2 ASN A 105 -3.279 11.889 3.855 1.00 0.00 N flip ATOM 0 H ASN A 105 0.896 10.643 5.388 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.109 12.284 3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -1.079 11.045 5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.806 12.631 5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -3.506 12.785 4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.893 11.498 3.141 1.00 0.00 H new