USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 545 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 19 THR OG1 : rot 180:sc= -0.0488 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 24:sc= 0.237 USER MOD Single : A 26 TYR OH : rot -137:sc= 0.142 USER MOD Single : A 30 THR OG1 : rot -120:sc= 0.256 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -160:sc= -1.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -163:sc= 0.0107 USER MOD Single : A 60 GLN : amide:sc= -0.0425 X(o=-0.043,f=-0.043) USER MOD Single : A 61 CYS SG : rot 55:sc= -1.54 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -3.05! X(o=-3!,f=-3.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 8 10.669 -5.889 0.305 1.00 0.00 N ATOM 69 CA LEU A 8 10.238 -4.714 1.055 1.00 0.00 C ATOM 70 C LEU A 8 9.854 -5.089 2.482 1.00 0.00 C ATOM 71 O LEU A 8 9.375 -6.194 2.737 1.00 0.00 O ATOM 72 CB LEU A 8 9.055 -4.042 0.355 1.00 0.00 C ATOM 73 CG LEU A 8 9.152 -3.984 -1.170 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.899 -3.356 -1.760 1.00 0.00 C ATOM 75 CD2 LEU A 8 10.390 -3.207 -1.594 1.00 0.00 C ATOM 0 HA LEU A 8 11.073 -4.014 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.143 -4.574 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.957 -3.026 0.736 1.00 0.00 H new ATOM 0 HG LEU A 8 9.237 -5.002 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.985 -3.323 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.029 -3.951 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.783 -2.343 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.444 -3.175 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.333 -2.191 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.280 -3.698 -1.201 1.00 0.00 H new ATOM 87 N ARG A 9 10.067 -4.161 3.409 1.00 0.00 N ATOM 88 CA ARG A 9 9.742 -4.393 4.812 1.00 0.00 C ATOM 89 C ARG A 9 8.670 -3.419 5.291 1.00 0.00 C ATOM 90 O ARG A 9 8.177 -2.596 4.521 1.00 0.00 O ATOM 91 CB ARG A 9 10.996 -4.256 5.678 1.00 0.00 C ATOM 92 CG ARG A 9 11.665 -2.896 5.568 1.00 0.00 C ATOM 93 CD ARG A 9 12.913 -2.952 4.702 1.00 0.00 C ATOM 94 NE ARG A 9 13.959 -3.783 5.297 1.00 0.00 N ATOM 95 CZ ARG A 9 14.199 -5.048 4.950 1.00 0.00 C ATOM 96 NH1 ARG A 9 13.468 -5.644 4.015 1.00 0.00 N ATOM 97 NH2 ARG A 9 15.176 -5.720 5.543 1.00 0.00 N ATOM 0 H ARG A 9 10.463 -3.241 3.214 1.00 0.00 H new ATOM 0 HA ARG A 9 9.354 -5.407 4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.730 -4.438 6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.711 -5.028 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.962 -2.177 5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.928 -2.538 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.654 -3.345 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.295 -1.942 4.551 1.00 0.00 H new ATOM 0 HE ARG A 9 14.542 -3.368 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.714 -5.134 3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.660 -6.612 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.741 -5.269 6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.362 -6.688 5.280 1.00 0.00 H new ATOM 111 N LEU A 10 8.314 -3.520 6.568 1.00 0.00 N ATOM 112 CA LEU A 10 7.301 -2.648 7.150 1.00 0.00 C ATOM 113 C LEU A 10 7.840 -1.233 7.334 1.00 0.00 C ATOM 114 O LEU A 10 9.020 -1.041 7.628 1.00 0.00 O ATOM 115 CB LEU A 10 6.829 -3.206 8.495 1.00 0.00 C ATOM 116 CG LEU A 10 6.052 -4.521 8.414 1.00 0.00 C ATOM 117 CD1 LEU A 10 6.006 -5.197 9.776 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.645 -4.276 7.890 1.00 0.00 C ATOM 0 H LEU A 10 8.712 -4.197 7.219 1.00 0.00 H new ATOM 0 HA LEU A 10 6.455 -2.608 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.699 -3.355 9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.200 -2.459 8.980 1.00 0.00 H new ATOM 0 HG LEU A 10 6.567 -5.184 7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.449 -6.131 9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.021 -5.406 10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.514 -4.539 10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.106 -5.222 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.120 -3.595 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.699 -3.835 6.895 1.00 0.00 H new ATOM 130 N GLY A 11 6.968 -0.246 7.159 1.00 0.00 N ATOM 131 CA GLY A 11 7.375 1.138 7.310 1.00 0.00 C ATOM 132 C GLY A 11 8.440 1.544 6.310 1.00 0.00 C ATOM 133 O GLY A 11 9.587 1.795 6.680 1.00 0.00 O ATOM 0 H GLY A 11 5.987 -0.380 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.505 1.784 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.752 1.294 8.321 1.00 0.00 H new ATOM 137 N ASP A 12 8.059 1.609 5.038 1.00 0.00 N ATOM 138 CA ASP A 12 8.989 1.988 3.980 1.00 0.00 C ATOM 139 C ASP A 12 8.319 2.915 2.972 1.00 0.00 C ATOM 140 O ASP A 12 7.246 2.610 2.451 1.00 0.00 O ATOM 141 CB ASP A 12 9.520 0.742 3.268 1.00 0.00 C ATOM 142 CG ASP A 12 10.704 1.048 2.372 1.00 0.00 C ATOM 143 OD1 ASP A 12 11.418 2.037 2.647 1.00 0.00 O ATOM 144 OD2 ASP A 12 10.917 0.301 1.394 1.00 0.00 O ATOM 0 H ASP A 12 7.113 1.404 4.715 1.00 0.00 H new ATOM 0 HA ASP A 12 9.823 2.520 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.812 -0.000 4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.722 0.300 2.672 1.00 0.00 H new ATOM 149 N ARG A 13 8.957 4.050 2.703 1.00 0.00 N ATOM 150 CA ARG A 13 8.422 5.021 1.757 1.00 0.00 C ATOM 151 C ARG A 13 8.585 4.530 0.322 1.00 0.00 C ATOM 152 O ARG A 13 9.693 4.507 -0.215 1.00 0.00 O ATOM 153 CB ARG A 13 9.119 6.373 1.931 1.00 0.00 C ATOM 154 CG ARG A 13 8.169 7.558 1.886 1.00 0.00 C ATOM 155 CD ARG A 13 8.880 8.855 2.233 1.00 0.00 C ATOM 156 NE ARG A 13 8.046 9.735 3.049 1.00 0.00 N ATOM 157 CZ ARG A 13 8.473 10.878 3.582 1.00 0.00 C ATOM 158 NH1 ARG A 13 9.722 11.282 3.388 1.00 0.00 N ATOM 159 NH2 ARG A 13 7.648 11.619 4.311 1.00 0.00 N ATOM 0 H ARG A 13 9.845 4.319 3.127 1.00 0.00 H new ATOM 0 HA ARG A 13 7.358 5.141 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.649 6.379 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.869 6.489 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.731 7.637 0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.348 7.394 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.803 8.631 2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.162 9.371 1.315 1.00 0.00 H new ATOM 0 HE ARG A 13 7.080 9.457 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.360 10.716 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.044 12.158 3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.687 11.313 4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.975 12.495 4.719 1.00 0.00 H new ATOM 173 N VAL A 14 7.475 4.136 -0.294 1.00 0.00 N ATOM 174 CA VAL A 14 7.495 3.644 -1.666 1.00 0.00 C ATOM 175 C VAL A 14 6.721 4.572 -2.597 1.00 0.00 C ATOM 176 O VAL A 14 6.177 5.589 -2.164 1.00 0.00 O ATOM 177 CB VAL A 14 6.903 2.225 -1.765 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.749 1.238 -0.976 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.459 2.211 -1.282 1.00 0.00 C ATOM 0 H VAL A 14 6.550 4.148 0.136 1.00 0.00 H new ATOM 0 HA VAL A 14 8.540 3.615 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 14 6.912 1.920 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.316 0.241 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.763 1.227 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.776 1.538 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.059 1.200 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.420 2.538 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.863 2.885 -1.897 1.00 0.00 H new ATOM 189 N LEU A 15 6.676 4.217 -3.876 1.00 0.00 N ATOM 190 CA LEU A 15 5.969 5.016 -4.869 1.00 0.00 C ATOM 191 C LEU A 15 4.877 4.197 -5.549 1.00 0.00 C ATOM 192 O LEU A 15 5.150 3.156 -6.147 1.00 0.00 O ATOM 193 CB LEU A 15 6.949 5.552 -5.915 1.00 0.00 C ATOM 194 CG LEU A 15 6.479 6.796 -6.671 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.060 7.886 -5.697 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.574 7.299 -7.598 1.00 0.00 C ATOM 0 H LEU A 15 7.122 3.379 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 15 5.501 5.856 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.893 5.782 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.152 4.762 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 15 5.613 6.526 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.729 8.763 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.244 7.522 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.907 8.155 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.223 8.184 -8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.458 7.553 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.827 6.521 -8.318 1.00 0.00 H new ATOM 208 N VAL A 16 3.640 4.672 -5.453 1.00 0.00 N ATOM 209 CA VAL A 16 2.507 3.983 -6.059 1.00 0.00 C ATOM 210 C VAL A 16 2.091 4.648 -7.366 1.00 0.00 C ATOM 211 O VAL A 16 1.476 5.715 -7.362 1.00 0.00 O ATOM 212 CB VAL A 16 1.297 3.947 -5.107 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.196 3.060 -5.671 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.718 3.472 -3.724 1.00 0.00 C ATOM 0 H VAL A 16 3.397 5.532 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 16 2.831 2.962 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 16 0.903 4.959 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.650 3.048 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.127 3.450 -6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.575 2.046 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.849 3.453 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.140 2.470 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.466 4.152 -3.318 1.00 0.00 H new ATOM 224 N GLY A 17 2.429 4.012 -8.482 1.00 0.00 N ATOM 225 CA GLY A 17 2.081 4.556 -9.781 1.00 0.00 C ATOM 226 C GLY A 17 3.213 5.357 -10.398 1.00 0.00 C ATOM 227 O GLY A 17 3.332 5.433 -11.621 1.00 0.00 O ATOM 0 H GLY A 17 2.938 3.129 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.809 3.741 -10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.202 5.193 -9.681 1.00 0.00 H new ATOM 231 N GLY A 18 4.045 5.952 -9.550 1.00 0.00 N ATOM 232 CA GLY A 18 5.161 6.742 -10.038 1.00 0.00 C ATOM 233 C GLY A 18 5.015 8.216 -9.713 1.00 0.00 C ATOM 234 O GLY A 18 5.526 9.071 -10.436 1.00 0.00 O ATOM 0 H GLY A 18 3.967 5.902 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.086 6.367 -9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.245 6.618 -11.118 1.00 0.00 H new ATOM 238 N THR A 19 4.316 8.513 -8.623 1.00 0.00 N ATOM 239 CA THR A 19 4.104 9.893 -8.202 1.00 0.00 C ATOM 240 C THR A 19 3.576 9.951 -6.772 1.00 0.00 C ATOM 241 O THR A 19 4.053 10.739 -5.955 1.00 0.00 O ATOM 242 CB THR A 19 3.128 10.595 -9.151 1.00 0.00 C ATOM 243 OG1 THR A 19 2.425 9.650 -9.940 1.00 0.00 O ATOM 244 CG2 THR A 19 3.804 11.566 -10.094 1.00 0.00 C ATOM 0 H THR A 19 3.886 7.816 -8.015 1.00 0.00 H new ATOM 0 HA THR A 19 5.064 10.408 -8.235 1.00 0.00 H new ATOM 0 HB THR A 19 2.450 11.152 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.806 10.119 -10.538 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.056 12.028 -10.738 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.313 12.338 -9.517 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.530 11.032 -10.707 1.00 0.00 H new ATOM 252 N LYS A 20 2.588 9.112 -6.477 1.00 0.00 N ATOM 253 CA LYS A 20 1.995 9.069 -5.145 1.00 0.00 C ATOM 254 C LYS A 20 2.920 8.361 -4.161 1.00 0.00 C ATOM 255 O LYS A 20 3.114 7.148 -4.238 1.00 0.00 O ATOM 256 CB LYS A 20 0.640 8.359 -5.192 1.00 0.00 C ATOM 257 CG LYS A 20 -0.339 8.983 -6.174 1.00 0.00 C ATOM 258 CD LYS A 20 -0.832 7.969 -7.194 1.00 0.00 C ATOM 259 CE LYS A 20 -1.908 8.559 -8.091 1.00 0.00 C ATOM 260 NZ LYS A 20 -2.952 7.556 -8.440 1.00 0.00 N ATOM 0 H LYS A 20 2.182 8.453 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 20 1.849 10.094 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.796 7.314 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.199 8.369 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.189 9.395 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.142 9.814 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.005 7.628 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.227 7.094 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.373 9.408 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.451 8.940 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.667 7.998 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.513 6.758 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.407 7.211 -7.570 1.00 0.00 H new ATOM 274 N THR A 21 3.487 9.127 -3.235 1.00 0.00 N ATOM 275 CA THR A 21 4.392 8.573 -2.234 1.00 0.00 C ATOM 276 C THR A 21 3.625 8.134 -0.991 1.00 0.00 C ATOM 277 O THR A 21 2.836 8.897 -0.435 1.00 0.00 O ATOM 278 CB THR A 21 5.457 9.603 -1.854 1.00 0.00 C ATOM 279 OG1 THR A 21 4.876 10.691 -1.159 1.00 0.00 O ATOM 280 CG2 THR A 21 6.200 10.163 -3.047 1.00 0.00 C ATOM 0 H THR A 21 3.336 10.133 -3.157 1.00 0.00 H new ATOM 0 HA THR A 21 4.880 7.699 -2.665 1.00 0.00 H new ATOM 0 HB THR A 21 6.167 9.067 -1.224 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.036 10.403 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.940 10.887 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.701 9.353 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.494 10.653 -3.718 1.00 0.00 H new ATOM 288 N GLY A 22 3.865 6.901 -0.559 1.00 0.00 N ATOM 289 CA GLY A 22 3.190 6.382 0.616 1.00 0.00 C ATOM 290 C GLY A 22 4.035 5.376 1.374 1.00 0.00 C ATOM 291 O GLY A 22 4.885 4.705 0.789 1.00 0.00 O ATOM 0 H GLY A 22 4.515 6.251 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.933 7.209 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.254 5.912 0.315 1.00 0.00 H new ATOM 295 N VAL A 23 3.799 5.272 2.677 1.00 0.00 N ATOM 296 CA VAL A 23 4.545 4.341 3.516 1.00 0.00 C ATOM 297 C VAL A 23 3.857 2.982 3.574 1.00 0.00 C ATOM 298 O VAL A 23 2.630 2.898 3.629 1.00 0.00 O ATOM 299 CB VAL A 23 4.707 4.882 4.949 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.652 3.999 5.750 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.202 6.319 4.924 1.00 0.00 C ATOM 0 H VAL A 23 3.098 5.820 3.175 1.00 0.00 H new ATOM 0 HA VAL A 23 5.531 4.228 3.064 1.00 0.00 H new ATOM 0 HB VAL A 23 3.732 4.866 5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.754 4.397 6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.251 2.987 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.629 3.980 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.310 6.684 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.167 6.363 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.484 6.942 4.390 1.00 0.00 H new ATOM 311 N VAL A 24 4.656 1.919 3.560 1.00 0.00 N ATOM 312 CA VAL A 24 4.122 0.563 3.612 1.00 0.00 C ATOM 313 C VAL A 24 3.649 0.211 5.017 1.00 0.00 C ATOM 314 O VAL A 24 4.427 0.244 5.972 1.00 0.00 O ATOM 315 CB VAL A 24 5.172 -0.471 3.162 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.543 -1.849 3.031 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.817 -0.043 1.852 1.00 0.00 C ATOM 0 H VAL A 24 5.674 1.971 3.513 1.00 0.00 H new ATOM 0 HA VAL A 24 3.274 0.531 2.928 1.00 0.00 H new ATOM 0 HB VAL A 24 5.951 -0.524 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.300 -2.566 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.135 -2.156 3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.742 -1.815 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.556 -0.786 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.052 0.042 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.306 0.922 1.986 1.00 0.00 H new ATOM 327 N ARG A 25 2.370 -0.128 5.138 1.00 0.00 N ATOM 328 CA ARG A 25 1.792 -0.488 6.428 1.00 0.00 C ATOM 329 C ARG A 25 1.478 -1.979 6.488 1.00 0.00 C ATOM 330 O ARG A 25 1.502 -2.586 7.558 1.00 0.00 O ATOM 331 CB ARG A 25 0.522 0.324 6.685 1.00 0.00 C ATOM 332 CG ARG A 25 0.784 1.683 7.312 1.00 0.00 C ATOM 333 CD ARG A 25 1.212 1.556 8.766 1.00 0.00 C ATOM 334 NE ARG A 25 0.349 2.323 9.661 1.00 0.00 N ATOM 335 CZ ARG A 25 0.688 2.672 10.899 1.00 0.00 C ATOM 336 NH1 ARG A 25 1.869 2.326 11.394 1.00 0.00 N ATOM 337 NH2 ARG A 25 -0.157 3.371 11.645 1.00 0.00 N ATOM 0 H ARG A 25 1.713 -0.161 4.358 1.00 0.00 H new ATOM 0 HA ARG A 25 2.524 -0.259 7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.006 0.464 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.138 -0.247 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.559 2.201 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.117 2.293 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.195 0.506 9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.241 1.900 8.872 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.568 2.608 9.316 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.523 1.789 10.825 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.123 2.597 12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.066 3.641 11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.102 3.639 12.594 1.00 0.00 H new ATOM 351 N TYR A 26 1.184 -2.565 5.331 1.00 0.00 N ATOM 352 CA TYR A 26 0.866 -3.986 5.252 1.00 0.00 C ATOM 353 C TYR A 26 1.770 -4.690 4.247 1.00 0.00 C ATOM 354 O TYR A 26 1.951 -4.220 3.124 1.00 0.00 O ATOM 355 CB TYR A 26 -0.600 -4.181 4.861 1.00 0.00 C ATOM 356 CG TYR A 26 -1.070 -5.615 4.966 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.914 -6.332 6.145 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.667 -6.251 3.885 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.341 -7.643 6.245 1.00 0.00 C ATOM 360 CE2 TYR A 26 -2.098 -7.561 3.977 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.932 -8.252 5.158 1.00 0.00 C ATOM 362 OH TYR A 26 -2.358 -9.557 5.254 1.00 0.00 O ATOM 0 H TYR A 26 1.160 -2.077 4.436 1.00 0.00 H new ATOM 0 HA TYR A 26 1.034 -4.426 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.224 -3.555 5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.743 -3.835 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.451 -5.858 6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.797 -5.713 2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.212 -8.187 7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.562 -8.041 3.128 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.108 -10.043 4.441 1.00 0.00 H new ATOM 372 N VAL A 27 2.335 -5.820 4.657 1.00 0.00 N ATOM 373 CA VAL A 27 3.222 -6.589 3.792 1.00 0.00 C ATOM 374 C VAL A 27 2.976 -8.086 3.946 1.00 0.00 C ATOM 375 O VAL A 27 3.072 -8.632 5.046 1.00 0.00 O ATOM 376 CB VAL A 27 4.701 -6.288 4.095 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.607 -6.968 3.080 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.947 -4.787 4.117 1.00 0.00 C ATOM 0 H VAL A 27 2.195 -6.224 5.583 1.00 0.00 H new ATOM 0 HA VAL A 27 3.002 -6.291 2.767 1.00 0.00 H new ATOM 0 HB VAL A 27 4.937 -6.687 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.648 -6.742 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.452 -8.046 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.371 -6.603 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.998 -4.594 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.692 -4.362 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.328 -4.328 4.888 1.00 0.00 H new ATOM 388 N GLY A 28 2.658 -8.745 2.836 1.00 0.00 N ATOM 389 CA GLY A 28 2.404 -10.174 2.869 1.00 0.00 C ATOM 390 C GLY A 28 1.249 -10.578 1.973 1.00 0.00 C ATOM 391 O GLY A 28 0.657 -9.737 1.295 1.00 0.00 O ATOM 0 H GLY A 28 2.572 -8.315 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.303 -10.707 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.189 -10.478 3.893 1.00 0.00 H new ATOM 395 N GLU A 29 0.929 -11.868 1.968 1.00 0.00 N ATOM 396 CA GLU A 29 -0.162 -12.381 1.148 1.00 0.00 C ATOM 397 C GLU A 29 -1.493 -11.758 1.561 1.00 0.00 C ATOM 398 O GLU A 29 -1.587 -11.106 2.600 1.00 0.00 O ATOM 399 CB GLU A 29 -0.239 -13.905 1.262 1.00 0.00 C ATOM 400 CG GLU A 29 0.528 -14.636 0.172 1.00 0.00 C ATOM 401 CD GLU A 29 -0.315 -14.894 -1.061 1.00 0.00 C ATOM 402 OE1 GLU A 29 -1.291 -14.146 -1.280 1.00 0.00 O ATOM 403 OE2 GLU A 29 0.001 -15.845 -1.807 1.00 0.00 O ATOM 0 H GLU A 29 1.410 -12.577 2.522 1.00 0.00 H new ATOM 0 HA GLU A 29 0.037 -12.111 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.150 -14.208 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.284 -14.211 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.403 -14.049 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.892 -15.586 0.564 1.00 0.00 H new ATOM 410 N THR A 30 -2.516 -11.965 0.740 1.00 0.00 N ATOM 411 CA THR A 30 -3.842 -11.426 1.020 1.00 0.00 C ATOM 412 C THR A 30 -4.892 -12.533 1.023 1.00 0.00 C ATOM 413 O THR A 30 -4.565 -13.710 0.880 1.00 0.00 O ATOM 414 CB THR A 30 -4.211 -10.361 -0.014 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.289 -10.927 -1.310 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.224 -9.215 -0.073 1.00 0.00 C ATOM 0 H THR A 30 -2.453 -12.502 -0.125 1.00 0.00 H new ATOM 0 HA THR A 30 -3.819 -10.970 2.010 1.00 0.00 H new ATOM 0 HB THR A 30 -5.177 -9.971 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.637 -10.490 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.546 -8.496 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.177 -8.725 0.899 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.237 -9.598 -0.335 1.00 0.00 H new ATOM 424 N ASP A 31 -6.152 -12.146 1.189 1.00 0.00 N ATOM 425 CA ASP A 31 -7.249 -13.106 1.210 1.00 0.00 C ATOM 426 C ASP A 31 -8.119 -12.966 -0.034 1.00 0.00 C ATOM 427 O ASP A 31 -8.627 -13.956 -0.563 1.00 0.00 O ATOM 428 CB ASP A 31 -8.101 -12.909 2.466 1.00 0.00 C ATOM 429 CG ASP A 31 -8.694 -14.210 2.972 1.00 0.00 C ATOM 430 OD1 ASP A 31 -9.319 -14.931 2.166 1.00 0.00 O ATOM 431 OD2 ASP A 31 -8.530 -14.509 4.174 1.00 0.00 O ATOM 0 H ASP A 31 -6.439 -11.175 1.311 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.821 -14.109 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.490 -12.462 3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.905 -12.206 2.250 1.00 0.00 H new ATOM 436 N PHE A 32 -8.287 -11.732 -0.498 1.00 0.00 N ATOM 437 CA PHE A 32 -9.095 -11.464 -1.682 1.00 0.00 C ATOM 438 C PHE A 32 -8.342 -11.845 -2.953 1.00 0.00 C ATOM 439 O PHE A 32 -8.907 -12.454 -3.861 1.00 0.00 O ATOM 440 CB PHE A 32 -9.489 -9.986 -1.733 1.00 0.00 C ATOM 441 CG PHE A 32 -8.314 -9.050 -1.675 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.636 -8.697 -2.831 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.891 -8.523 -0.466 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.556 -7.835 -2.781 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.811 -7.663 -0.410 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.144 -7.318 -1.569 1.00 0.00 C ATOM 0 H PHE A 32 -7.874 -10.902 -0.072 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.998 -12.072 -1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.048 -9.799 -2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.159 -9.768 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.955 -9.100 -3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.411 -8.787 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.036 -7.567 -3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.489 -7.261 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.301 -6.644 -1.527 1.00 0.00 H new ATOM 456 N ALA A 33 -7.064 -11.483 -3.009 1.00 0.00 N ATOM 457 CA ALA A 33 -6.234 -11.788 -4.168 1.00 0.00 C ATOM 458 C ALA A 33 -5.191 -12.849 -3.832 1.00 0.00 C ATOM 459 O ALA A 33 -5.211 -13.430 -2.747 1.00 0.00 O ATOM 460 CB ALA A 33 -5.559 -10.524 -4.680 1.00 0.00 C ATOM 0 H ALA A 33 -6.581 -10.978 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.878 -12.186 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.942 -10.766 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.318 -9.797 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.932 -10.102 -3.894 1.00 0.00 H new ATOM 466 N LYS A 34 -4.283 -13.095 -4.770 1.00 0.00 N ATOM 467 CA LYS A 34 -3.232 -14.086 -4.572 1.00 0.00 C ATOM 468 C LYS A 34 -1.863 -13.503 -4.913 1.00 0.00 C ATOM 469 O LYS A 34 -1.765 -12.419 -5.487 1.00 0.00 O ATOM 470 CB LYS A 34 -3.502 -15.324 -5.431 1.00 0.00 C ATOM 471 CG LYS A 34 -3.293 -16.636 -4.691 1.00 0.00 C ATOM 472 CD LYS A 34 -2.899 -17.755 -5.642 1.00 0.00 C ATOM 473 CE LYS A 34 -1.403 -18.025 -5.596 1.00 0.00 C ATOM 474 NZ LYS A 34 -1.098 -19.479 -5.680 1.00 0.00 N ATOM 0 H LYS A 34 -4.254 -12.623 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.232 -14.375 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.527 -15.284 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.849 -15.300 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.518 -16.509 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.208 -16.909 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.442 -18.663 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.191 -17.490 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.915 -17.504 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.989 -17.620 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.068 -19.620 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.542 -19.974 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.470 -19.861 -6.573 1.00 0.00 H new ATOM 488 N GLY A 35 -0.810 -14.231 -4.555 1.00 0.00 N ATOM 489 CA GLY A 35 0.538 -13.770 -4.831 1.00 0.00 C ATOM 490 C GLY A 35 1.136 -12.996 -3.673 1.00 0.00 C ATOM 491 O GLY A 35 1.496 -13.578 -2.650 1.00 0.00 O ATOM 0 H GLY A 35 -0.866 -15.131 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.172 -14.627 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.528 -13.138 -5.719 1.00 0.00 H new ATOM 495 N GLU A 36 1.239 -11.681 -3.834 1.00 0.00 N ATOM 496 CA GLU A 36 1.798 -10.826 -2.792 1.00 0.00 C ATOM 497 C GLU A 36 1.361 -9.377 -2.987 1.00 0.00 C ATOM 498 O GLU A 36 1.418 -8.844 -4.095 1.00 0.00 O ATOM 499 CB GLU A 36 3.324 -10.917 -2.792 1.00 0.00 C ATOM 500 CG GLU A 36 3.927 -11.023 -1.401 1.00 0.00 C ATOM 501 CD GLU A 36 5.304 -11.660 -1.409 1.00 0.00 C ATOM 502 OE1 GLU A 36 6.247 -11.028 -1.931 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.439 -12.788 -0.893 1.00 0.00 O ATOM 0 H GLU A 36 0.943 -11.184 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 36 1.422 -11.174 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.628 -11.785 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.732 -10.037 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.994 -10.028 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.263 -11.609 -0.765 1.00 0.00 H new ATOM 510 N TRP A 37 0.925 -8.745 -1.902 1.00 0.00 N ATOM 511 CA TRP A 37 0.477 -7.358 -1.954 1.00 0.00 C ATOM 512 C TRP A 37 1.126 -6.534 -0.846 1.00 0.00 C ATOM 513 O TRP A 37 1.503 -7.068 0.198 1.00 0.00 O ATOM 514 CB TRP A 37 -1.046 -7.286 -1.835 1.00 0.00 C ATOM 515 CG TRP A 37 -1.763 -7.925 -2.985 1.00 0.00 C ATOM 516 CD1 TRP A 37 -1.922 -9.261 -3.212 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.419 -7.251 -4.066 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.636 -9.461 -4.369 1.00 0.00 N ATOM 519 CE2 TRP A 37 -2.952 -8.243 -4.912 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.606 -5.908 -4.402 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.661 -7.932 -6.069 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.310 -5.600 -5.552 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.830 -6.609 -6.373 1.00 0.00 C ATOM 0 H TRP A 37 0.872 -9.171 -0.977 1.00 0.00 H new ATOM 0 HA TRP A 37 0.778 -6.942 -2.915 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.354 -7.772 -0.909 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.349 -6.241 -1.763 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.542 -10.046 -2.575 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.890 -10.368 -4.760 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.208 -5.124 -3.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.063 -8.708 -6.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.461 -4.565 -5.821 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.376 -6.337 -7.264 1.00 0.00 H new ATOM 534 N CYS A 38 1.251 -5.232 -1.080 1.00 0.00 N ATOM 535 CA CYS A 38 1.854 -4.334 -0.101 1.00 0.00 C ATOM 536 C CYS A 38 0.983 -3.100 0.111 1.00 0.00 C ATOM 537 O CYS A 38 0.798 -2.294 -0.802 1.00 0.00 O ATOM 538 CB CYS A 38 3.255 -3.917 -0.557 1.00 0.00 C ATOM 539 SG CYS A 38 4.595 -4.698 0.374 1.00 0.00 S ATOM 0 H CYS A 38 0.943 -4.775 -1.938 1.00 0.00 H new ATOM 0 HA CYS A 38 1.933 -4.866 0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.370 -4.161 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.348 -2.835 -0.468 1.00 0.00 H new ATOM 0 HG CYS A 38 5.685 -4.005 0.230 1.00 0.00 H new ATOM 545 N GLY A 39 0.451 -2.957 1.320 1.00 0.00 N ATOM 546 CA GLY A 39 -0.393 -1.819 1.631 1.00 0.00 C ATOM 547 C GLY A 39 0.398 -0.535 1.786 1.00 0.00 C ATOM 548 O GLY A 39 1.217 -0.409 2.697 1.00 0.00 O ATOM 0 H GLY A 39 0.590 -3.610 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.133 -1.693 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.941 -2.018 2.552 1.00 0.00 H new ATOM 552 N VAL A 40 0.154 0.420 0.894 1.00 0.00 N ATOM 553 CA VAL A 40 0.849 1.700 0.937 1.00 0.00 C ATOM 554 C VAL A 40 -0.080 2.817 1.399 1.00 0.00 C ATOM 555 O VAL A 40 -1.157 3.014 0.834 1.00 0.00 O ATOM 556 CB VAL A 40 1.429 2.070 -0.442 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.317 3.301 -0.336 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.201 0.897 -1.028 1.00 0.00 C ATOM 0 H VAL A 40 -0.520 0.331 0.133 1.00 0.00 H new ATOM 0 HA VAL A 40 1.665 1.592 1.651 1.00 0.00 H new ATOM 0 HB VAL A 40 0.602 2.304 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.717 3.547 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.731 4.141 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.139 3.098 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.603 1.176 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.020 0.630 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.533 0.043 -1.143 1.00 0.00 H new ATOM 568 N GLU A 41 0.342 3.545 2.427 1.00 0.00 N ATOM 569 CA GLU A 41 -0.454 4.642 2.965 1.00 0.00 C ATOM 570 C GLU A 41 -0.028 5.972 2.353 1.00 0.00 C ATOM 571 O GLU A 41 0.998 6.539 2.728 1.00 0.00 O ATOM 572 CB GLU A 41 -0.317 4.700 4.488 1.00 0.00 C ATOM 573 CG GLU A 41 -1.278 5.676 5.147 1.00 0.00 C ATOM 574 CD GLU A 41 -0.607 6.527 6.208 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.584 6.860 6.038 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.274 6.862 7.210 1.00 0.00 O ATOM 0 H GLU A 41 1.231 3.395 2.904 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.498 4.462 2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.485 3.704 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.705 4.981 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.710 6.325 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.101 5.122 5.598 1.00 0.00 H new ATOM 583 N LEU A 42 -0.823 6.466 1.409 1.00 0.00 N ATOM 584 CA LEU A 42 -0.529 7.730 0.745 1.00 0.00 C ATOM 585 C LEU A 42 -0.875 8.911 1.646 1.00 0.00 C ATOM 586 O LEU A 42 -1.715 8.798 2.538 1.00 0.00 O ATOM 587 CB LEU A 42 -1.304 7.832 -0.571 1.00 0.00 C ATOM 588 CG LEU A 42 -1.169 6.623 -1.497 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.085 6.770 -2.702 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.276 6.451 -1.941 1.00 0.00 C ATOM 0 H LEU A 42 -1.676 6.009 1.087 1.00 0.00 H new ATOM 0 HA LEU A 42 0.540 7.760 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.360 7.980 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.966 8.720 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.467 5.731 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.976 5.901 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.119 6.844 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.817 7.671 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.354 5.586 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.601 7.344 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.910 6.300 -1.067 1.00 0.00 H new ATOM 602 N ASP A 43 -0.222 10.043 1.407 1.00 0.00 N ATOM 603 CA ASP A 43 -0.461 11.244 2.197 1.00 0.00 C ATOM 604 C ASP A 43 -1.729 11.955 1.737 1.00 0.00 C ATOM 605 O ASP A 43 -2.530 12.411 2.554 1.00 0.00 O ATOM 606 CB ASP A 43 0.735 12.193 2.097 1.00 0.00 C ATOM 607 CG ASP A 43 2.007 11.581 2.648 1.00 0.00 C ATOM 608 OD1 ASP A 43 1.984 11.102 3.802 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.026 11.579 1.927 1.00 0.00 O ATOM 0 H ASP A 43 0.477 10.154 0.672 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.591 10.944 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.890 12.469 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.513 13.112 2.640 1.00 0.00 H new ATOM 614 N GLU A 44 -1.905 12.047 0.423 1.00 0.00 N ATOM 615 CA GLU A 44 -3.078 12.703 -0.146 1.00 0.00 C ATOM 616 C GLU A 44 -4.261 11.742 -0.213 1.00 0.00 C ATOM 617 O GLU A 44 -4.081 10.530 -0.345 1.00 0.00 O ATOM 618 CB GLU A 44 -2.759 13.236 -1.545 1.00 0.00 C ATOM 619 CG GLU A 44 -1.698 14.325 -1.554 1.00 0.00 C ATOM 620 CD GLU A 44 -2.160 15.594 -0.864 1.00 0.00 C ATOM 621 OE1 GLU A 44 -3.386 15.827 -0.807 1.00 0.00 O ATOM 622 OE2 GLU A 44 -1.296 16.354 -0.380 1.00 0.00 O ATOM 0 H GLU A 44 -1.252 11.676 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.348 13.537 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.425 12.409 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.673 13.627 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.798 13.955 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.426 14.554 -2.584 1.00 0.00 H new ATOM 629 N PRO A 45 -5.493 12.270 -0.123 1.00 0.00 N ATOM 630 CA PRO A 45 -6.709 11.452 -0.173 1.00 0.00 C ATOM 631 C PRO A 45 -6.978 10.898 -1.569 1.00 0.00 C ATOM 632 O PRO A 45 -8.001 11.204 -2.183 1.00 0.00 O ATOM 633 CB PRO A 45 -7.811 12.431 0.238 1.00 0.00 C ATOM 634 CG PRO A 45 -7.290 13.771 -0.150 1.00 0.00 C ATOM 635 CD PRO A 45 -5.798 13.705 0.036 1.00 0.00 C ATOM 0 HA PRO A 45 -6.638 10.575 0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.749 12.208 -0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.009 12.378 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.544 14.004 -1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.726 14.554 0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.274 14.311 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.499 14.072 1.018 1.00 0.00 H new ATOM 643 N LEU A 46 -6.054 10.081 -2.064 1.00 0.00 N ATOM 644 CA LEU A 46 -6.193 9.483 -3.387 1.00 0.00 C ATOM 645 C LEU A 46 -6.156 7.959 -3.303 1.00 0.00 C ATOM 646 O LEU A 46 -5.743 7.286 -4.247 1.00 0.00 O ATOM 647 CB LEU A 46 -5.082 9.981 -4.313 1.00 0.00 C ATOM 648 CG LEU A 46 -4.885 11.497 -4.332 1.00 0.00 C ATOM 649 CD1 LEU A 46 -3.422 11.843 -4.559 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.757 12.134 -5.403 1.00 0.00 C ATOM 0 H LEU A 46 -5.202 9.818 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.159 9.783 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.144 9.512 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.298 9.645 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.185 11.895 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.302 12.926 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.819 11.419 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.095 11.432 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.604 13.213 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.488 11.730 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.805 11.916 -5.196 1.00 0.00 H new ATOM 662 N GLY A 47 -6.591 7.423 -2.167 1.00 0.00 N ATOM 663 CA GLY A 47 -6.600 5.984 -1.983 1.00 0.00 C ATOM 664 C GLY A 47 -7.942 5.364 -2.316 1.00 0.00 C ATOM 665 O GLY A 47 -8.812 6.021 -2.890 1.00 0.00 O ATOM 0 H GLY A 47 -6.937 7.959 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.831 5.536 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.343 5.752 -0.950 1.00 0.00 H new ATOM 669 N LYS A 48 -8.111 4.095 -1.959 1.00 0.00 N ATOM 670 CA LYS A 48 -9.358 3.385 -2.224 1.00 0.00 C ATOM 671 C LYS A 48 -10.112 3.104 -0.929 1.00 0.00 C ATOM 672 O LYS A 48 -11.343 3.058 -0.913 1.00 0.00 O ATOM 673 CB LYS A 48 -9.075 2.074 -2.959 1.00 0.00 C ATOM 674 CG LYS A 48 -8.866 2.247 -4.456 1.00 0.00 C ATOM 675 CD LYS A 48 -9.754 1.310 -5.258 1.00 0.00 C ATOM 676 CE LYS A 48 -9.978 1.828 -6.670 1.00 0.00 C ATOM 677 NZ LYS A 48 -9.059 1.185 -7.650 1.00 0.00 N ATOM 0 H LYS A 48 -7.401 3.537 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.981 4.020 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.188 1.610 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.906 1.388 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.078 3.279 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.821 2.058 -4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.297 0.321 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.714 1.197 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.011 1.643 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.830 2.908 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.244 1.565 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.073 1.383 -7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.217 0.157 -7.652 1.00 0.00 H new ATOM 691 N ASN A 49 -9.368 2.916 0.156 1.00 0.00 N ATOM 692 CA ASN A 49 -9.968 2.639 1.457 1.00 0.00 C ATOM 693 C ASN A 49 -8.936 2.773 2.572 1.00 0.00 C ATOM 694 O ASN A 49 -7.763 3.041 2.317 1.00 0.00 O ATOM 695 CB ASN A 49 -10.579 1.235 1.477 1.00 0.00 C ATOM 696 CG ASN A 49 -9.715 0.212 0.765 1.00 0.00 C ATOM 697 OD1 ASN A 49 -10.094 -0.318 -0.280 1.00 0.00 O ATOM 698 ND2 ASN A 49 -8.546 -0.071 1.328 1.00 0.00 N ATOM 0 H ASN A 49 -8.349 2.950 0.161 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.757 3.371 1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.728 0.923 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.562 1.264 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.922 -0.751 0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.272 0.392 2.194 1.00 0.00 H new ATOM 705 N ASP A 50 -9.383 2.587 3.810 1.00 0.00 N ATOM 706 CA ASP A 50 -8.499 2.688 4.966 1.00 0.00 C ATOM 707 C ASP A 50 -7.852 1.341 5.277 1.00 0.00 C ATOM 708 O ASP A 50 -7.991 0.812 6.381 1.00 0.00 O ATOM 709 CB ASP A 50 -9.275 3.191 6.186 1.00 0.00 C ATOM 710 CG ASP A 50 -10.564 2.426 6.411 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.557 1.188 6.244 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.581 3.065 6.755 1.00 0.00 O ATOM 0 H ASP A 50 -10.352 2.366 4.038 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.710 3.401 4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.647 3.106 7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.502 4.249 6.057 1.00 0.00 H new ATOM 717 N GLY A 51 -7.142 0.792 4.298 1.00 0.00 N ATOM 718 CA GLY A 51 -6.482 -0.486 4.487 1.00 0.00 C ATOM 719 C GLY A 51 -7.452 -1.595 4.845 1.00 0.00 C ATOM 720 O GLY A 51 -7.081 -2.563 5.508 1.00 0.00 O ATOM 0 H GLY A 51 -7.012 1.209 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.950 -0.754 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.736 -0.392 5.276 1.00 0.00 H new ATOM 724 N ALA A 52 -8.699 -1.453 4.405 1.00 0.00 N ATOM 725 CA ALA A 52 -9.725 -2.451 4.683 1.00 0.00 C ATOM 726 C ALA A 52 -10.419 -2.895 3.400 1.00 0.00 C ATOM 727 O ALA A 52 -11.021 -2.084 2.697 1.00 0.00 O ATOM 728 CB ALA A 52 -10.740 -1.902 5.673 1.00 0.00 C ATOM 0 H ALA A 52 -9.022 -0.657 3.855 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.241 -3.323 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.500 -2.658 5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.236 -1.641 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.212 -1.013 5.255 1.00 0.00 H new ATOM 734 N VAL A 53 -10.332 -4.187 3.103 1.00 0.00 N ATOM 735 CA VAL A 53 -10.952 -4.739 1.905 1.00 0.00 C ATOM 736 C VAL A 53 -12.161 -5.597 2.258 1.00 0.00 C ATOM 737 O VAL A 53 -12.033 -6.621 2.929 1.00 0.00 O ATOM 738 CB VAL A 53 -9.954 -5.586 1.094 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.555 -5.985 -0.245 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.649 -4.830 0.897 1.00 0.00 C ATOM 0 H VAL A 53 -9.838 -4.871 3.676 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.275 -3.893 1.298 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.739 -6.496 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.835 -6.583 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.460 -6.569 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.802 -5.089 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.956 -5.444 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.844 -3.902 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.211 -4.601 1.868 1.00 0.00 H new ATOM 750 N ALA A 54 -13.335 -5.175 1.801 1.00 0.00 N ATOM 751 CA ALA A 54 -14.568 -5.905 2.070 1.00 0.00 C ATOM 752 C ALA A 54 -14.839 -5.993 3.568 1.00 0.00 C ATOM 753 O ALA A 54 -15.434 -6.960 4.045 1.00 0.00 O ATOM 754 CB ALA A 54 -14.497 -7.298 1.462 1.00 0.00 C ATOM 0 H ALA A 54 -13.458 -4.331 1.242 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.392 -5.360 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.424 -7.833 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.358 -7.218 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.658 -7.842 1.896 1.00 0.00 H new ATOM 760 N GLY A 55 -14.400 -4.978 4.304 1.00 0.00 N ATOM 761 CA GLY A 55 -14.606 -4.961 5.740 1.00 0.00 C ATOM 762 C GLY A 55 -13.398 -5.467 6.504 1.00 0.00 C ATOM 763 O GLY A 55 -13.164 -5.066 7.644 1.00 0.00 O ATOM 0 H GLY A 55 -13.905 -4.167 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.835 -3.944 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.472 -5.575 5.987 1.00 0.00 H new ATOM 767 N THR A 56 -12.629 -6.349 5.875 1.00 0.00 N ATOM 768 CA THR A 56 -11.438 -6.911 6.503 1.00 0.00 C ATOM 769 C THR A 56 -10.304 -5.891 6.530 1.00 0.00 C ATOM 770 O THR A 56 -9.747 -5.539 5.490 1.00 0.00 O ATOM 771 CB THR A 56 -10.990 -8.169 5.757 1.00 0.00 C ATOM 772 OG1 THR A 56 -12.091 -9.025 5.511 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.945 -8.968 6.506 1.00 0.00 C ATOM 0 H THR A 56 -12.809 -6.690 4.931 1.00 0.00 H new ATOM 0 HA THR A 56 -11.689 -7.175 7.530 1.00 0.00 H new ATOM 0 HB THR A 56 -10.552 -7.812 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.784 -9.823 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.671 -9.847 5.922 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.062 -8.350 6.668 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.349 -9.283 7.468 1.00 0.00 H new ATOM 781 N ARG A 57 -9.968 -5.419 7.726 1.00 0.00 N ATOM 782 CA ARG A 57 -8.901 -4.439 7.890 1.00 0.00 C ATOM 783 C ARG A 57 -7.660 -5.083 8.497 1.00 0.00 C ATOM 784 O ARG A 57 -7.736 -5.754 9.527 1.00 0.00 O ATOM 785 CB ARG A 57 -9.374 -3.282 8.772 1.00 0.00 C ATOM 786 CG ARG A 57 -8.327 -2.196 8.964 1.00 0.00 C ATOM 787 CD ARG A 57 -8.958 -0.814 9.003 1.00 0.00 C ATOM 788 NE ARG A 57 -10.028 -0.728 9.995 1.00 0.00 N ATOM 789 CZ ARG A 57 -10.714 0.383 10.252 1.00 0.00 C ATOM 790 NH1 ARG A 57 -10.444 1.504 9.595 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.670 0.374 11.170 1.00 0.00 N ATOM 0 H ARG A 57 -10.420 -5.700 8.596 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.642 -4.052 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.267 -2.840 8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.662 -3.674 9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.782 -2.374 9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.600 -2.242 8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.192 -0.072 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.356 -0.569 8.018 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.263 -1.569 10.522 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.708 1.517 8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.973 2.353 9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.880 -0.484 11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.196 1.226 11.367 1.00 0.00 H new ATOM 805 N TYR A 58 -6.515 -4.876 7.854 1.00 0.00 N ATOM 806 CA TYR A 58 -5.257 -5.437 8.330 1.00 0.00 C ATOM 807 C TYR A 58 -4.527 -4.448 9.234 1.00 0.00 C ATOM 808 O TYR A 58 -4.041 -4.813 10.305 1.00 0.00 O ATOM 809 CB TYR A 58 -4.363 -5.820 7.149 1.00 0.00 C ATOM 810 CG TYR A 58 -5.094 -6.556 6.049 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.230 -7.939 6.083 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.648 -5.869 4.976 1.00 0.00 C ATOM 813 CE1 TYR A 58 -5.896 -8.615 5.079 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.317 -6.538 3.969 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.438 -7.910 4.025 1.00 0.00 C ATOM 816 OH TYR A 58 -7.103 -8.580 3.023 1.00 0.00 O ATOM 0 H TYR A 58 -6.433 -4.323 7.001 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.485 -6.332 8.909 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.916 -4.916 6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.545 -6.444 7.511 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.808 -8.494 6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.554 -4.794 4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.992 -9.690 5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.743 -5.989 3.142 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.185 -7.998 2.239 1.00 0.00 H new ATOM 826 N PHE A 59 -4.454 -3.196 8.796 1.00 0.00 N ATOM 827 CA PHE A 59 -3.783 -2.155 9.565 1.00 0.00 C ATOM 828 C PHE A 59 -4.678 -0.929 9.719 1.00 0.00 C ATOM 829 O PHE A 59 -5.380 -0.539 8.786 1.00 0.00 O ATOM 830 CB PHE A 59 -2.468 -1.759 8.890 1.00 0.00 C ATOM 831 CG PHE A 59 -2.652 -1.159 7.525 1.00 0.00 C ATOM 832 CD1 PHE A 59 -2.895 -1.966 6.425 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.580 0.213 7.343 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.063 -1.416 5.169 1.00 0.00 C ATOM 835 CE2 PHE A 59 -2.747 0.769 6.088 1.00 0.00 C ATOM 836 CZ PHE A 59 -2.990 -0.047 5.000 1.00 0.00 C ATOM 0 H PHE A 59 -4.851 -2.877 7.912 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.569 -2.553 10.557 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.944 -1.044 9.525 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.831 -2.640 8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.954 -3.037 6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.391 0.855 8.191 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.251 -2.056 4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.688 1.840 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.123 0.385 4.019 1.00 0.00 H new ATOM 846 N GLN A 60 -4.646 -0.324 10.903 1.00 0.00 N ATOM 847 CA GLN A 60 -5.453 0.858 11.180 1.00 0.00 C ATOM 848 C GLN A 60 -4.917 2.071 10.427 1.00 0.00 C ATOM 849 O GLN A 60 -3.711 2.319 10.407 1.00 0.00 O ATOM 850 CB GLN A 60 -5.476 1.145 12.682 1.00 0.00 C ATOM 851 CG GLN A 60 -6.340 2.337 13.061 1.00 0.00 C ATOM 852 CD GLN A 60 -7.814 2.092 12.807 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.404 1.160 13.352 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.419 2.933 11.974 1.00 0.00 N ATOM 0 H GLN A 60 -4.070 -0.634 11.685 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.470 0.661 10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.840 0.262 13.207 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.457 1.322 13.025 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.190 2.569 14.115 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.017 3.210 12.494 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.891 3.693 11.544 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.411 2.819 11.765 1.00 0.00 H new ATOM 863 N CYS A 61 -5.820 2.824 9.807 1.00 0.00 N ATOM 864 CA CYS A 61 -5.436 4.011 9.052 1.00 0.00 C ATOM 865 C CYS A 61 -6.668 4.805 8.623 1.00 0.00 C ATOM 866 O CYS A 61 -7.794 4.315 8.709 1.00 0.00 O ATOM 867 CB CYS A 61 -4.615 3.614 7.823 1.00 0.00 C ATOM 868 SG CYS A 61 -2.858 4.028 7.947 1.00 0.00 S ATOM 0 H CYS A 61 -6.822 2.633 9.813 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.827 4.643 9.698 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.714 2.540 7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.033 4.107 6.945 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.362 3.497 9.025 1.00 0.00 H new ATOM 874 N PRO A 62 -6.469 6.050 8.154 1.00 0.00 N ATOM 875 CA PRO A 62 -7.570 6.912 7.713 1.00 0.00 C ATOM 876 C PRO A 62 -8.151 6.470 6.372 1.00 0.00 C ATOM 877 O PRO A 62 -7.520 5.718 5.630 1.00 0.00 O ATOM 878 CB PRO A 62 -6.907 8.284 7.581 1.00 0.00 C ATOM 879 CG PRO A 62 -5.479 7.986 7.286 1.00 0.00 C ATOM 880 CD PRO A 62 -5.157 6.713 8.021 1.00 0.00 C ATOM 0 HA PRO A 62 -8.410 6.891 8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.363 8.869 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.009 8.863 8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.319 7.868 6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.835 8.801 7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.450 6.097 7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.708 6.914 8.994 1.00 0.00 H new ATOM 888 N PRO A 63 -9.369 6.935 6.043 1.00 0.00 N ATOM 889 CA PRO A 63 -10.036 6.584 4.784 1.00 0.00 C ATOM 890 C PRO A 63 -9.399 7.269 3.580 1.00 0.00 C ATOM 891 O PRO A 63 -8.923 8.401 3.676 1.00 0.00 O ATOM 892 CB PRO A 63 -11.465 7.086 4.992 1.00 0.00 C ATOM 893 CG PRO A 63 -11.334 8.206 5.963 1.00 0.00 C ATOM 894 CD PRO A 63 -10.192 7.838 6.871 1.00 0.00 C ATOM 0 HA PRO A 63 -9.971 5.517 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.906 7.424 4.054 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.109 6.298 5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.136 9.147 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.255 8.340 6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.630 8.717 7.185 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.543 7.343 7.777 1.00 0.00 H new ATOM 902 N LYS A 64 -9.397 6.577 2.445 1.00 0.00 N ATOM 903 CA LYS A 64 -8.821 7.119 1.219 1.00 0.00 C ATOM 904 C LYS A 64 -7.332 7.401 1.396 1.00 0.00 C ATOM 905 O LYS A 64 -6.811 8.390 0.880 1.00 0.00 O ATOM 906 CB LYS A 64 -9.551 8.400 0.811 1.00 0.00 C ATOM 907 CG LYS A 64 -10.740 8.157 -0.103 1.00 0.00 C ATOM 908 CD LYS A 64 -12.041 8.089 0.681 1.00 0.00 C ATOM 909 CE LYS A 64 -12.357 6.666 1.113 1.00 0.00 C ATOM 910 NZ LYS A 64 -13.823 6.417 1.173 1.00 0.00 N ATOM 0 H LYS A 64 -9.788 5.640 2.349 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.940 6.375 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.893 8.915 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.848 9.065 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.801 8.955 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.595 7.226 -0.651 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.972 8.730 1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.857 8.474 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.898 5.965 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.916 6.477 2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.997 5.436 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.258 7.069 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.240 6.572 0.233 1.00 0.00 H new ATOM 924 N PHE A 65 -6.652 6.525 2.128 1.00 0.00 N ATOM 925 CA PHE A 65 -5.223 6.679 2.373 1.00 0.00 C ATOM 926 C PHE A 65 -4.485 5.366 2.130 1.00 0.00 C ATOM 927 O PHE A 65 -3.446 5.340 1.472 1.00 0.00 O ATOM 928 CB PHE A 65 -4.978 7.161 3.804 1.00 0.00 C ATOM 929 CG PHE A 65 -4.857 8.655 3.922 1.00 0.00 C ATOM 930 CD1 PHE A 65 -5.914 9.478 3.569 1.00 0.00 C ATOM 931 CD2 PHE A 65 -3.687 9.233 4.386 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.806 10.851 3.677 1.00 0.00 C ATOM 933 CE2 PHE A 65 -3.573 10.606 4.496 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.633 11.416 4.141 1.00 0.00 C ATOM 0 H PHE A 65 -7.068 5.701 2.562 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.838 7.424 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.796 6.820 4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.066 6.700 4.183 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.832 9.041 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.855 8.604 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.637 11.482 3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.655 11.045 4.859 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.546 12.489 4.226 1.00 0.00 H new ATOM 944 N GLY A 66 -5.030 4.279 2.667 1.00 0.00 N ATOM 945 CA GLY A 66 -4.410 2.978 2.497 1.00 0.00 C ATOM 946 C GLY A 66 -4.710 2.366 1.143 1.00 0.00 C ATOM 947 O GLY A 66 -5.872 2.221 0.764 1.00 0.00 O ATOM 0 H GLY A 66 -5.889 4.276 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.331 3.074 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.760 2.307 3.281 1.00 0.00 H new ATOM 951 N LEU A 67 -3.660 2.005 0.412 1.00 0.00 N ATOM 952 CA LEU A 67 -3.817 1.406 -0.908 1.00 0.00 C ATOM 953 C LEU A 67 -3.123 0.050 -0.977 1.00 0.00 C ATOM 954 O LEU A 67 -2.002 -0.111 -0.494 1.00 0.00 O ATOM 955 CB LEU A 67 -3.253 2.336 -1.984 1.00 0.00 C ATOM 956 CG LEU A 67 -3.980 2.288 -3.329 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.410 2.786 -3.181 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.232 3.109 -4.368 1.00 0.00 C ATOM 0 H LEU A 67 -2.691 2.117 0.712 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.882 1.258 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.282 3.359 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.205 2.085 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.011 1.252 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.912 2.745 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.943 2.156 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.402 3.815 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.763 3.064 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.169 4.145 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.227 2.707 -4.495 1.00 0.00 H new ATOM 970 N PHE A 68 -3.796 -0.923 -1.582 1.00 0.00 N ATOM 971 CA PHE A 68 -3.245 -2.267 -1.715 1.00 0.00 C ATOM 972 C PHE A 68 -2.760 -2.518 -3.139 1.00 0.00 C ATOM 973 O PHE A 68 -3.559 -2.748 -4.046 1.00 0.00 O ATOM 974 CB PHE A 68 -4.294 -3.312 -1.331 1.00 0.00 C ATOM 975 CG PHE A 68 -4.690 -3.262 0.117 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.919 -3.891 1.082 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.833 -2.588 0.513 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.282 -3.847 2.414 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.201 -2.540 1.844 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.424 -3.171 2.796 1.00 0.00 C ATOM 0 H PHE A 68 -4.724 -0.806 -1.988 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.394 -2.351 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.181 -3.167 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.906 -4.305 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.025 -4.421 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.444 -2.094 -0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.673 -4.341 3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.094 -2.010 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.709 -3.136 3.837 1.00 0.00 H new ATOM 990 N ALA A 69 -1.444 -2.472 -3.328 1.00 0.00 N ATOM 991 CA ALA A 69 -0.853 -2.696 -4.641 1.00 0.00 C ATOM 992 C ALA A 69 0.154 -3.843 -4.601 1.00 0.00 C ATOM 993 O ALA A 69 0.828 -4.052 -3.592 1.00 0.00 O ATOM 994 CB ALA A 69 -0.187 -1.423 -5.142 1.00 0.00 C ATOM 0 H ALA A 69 -0.768 -2.282 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.651 -2.972 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.251 -1.604 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.930 -0.629 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.596 -1.123 -4.445 1.00 0.00 H new ATOM 1000 N PRO A 70 0.273 -4.604 -5.704 1.00 0.00 N ATOM 1001 CA PRO A 70 1.206 -5.732 -5.785 1.00 0.00 C ATOM 1002 C PRO A 70 2.638 -5.322 -5.458 1.00 0.00 C ATOM 1003 O PRO A 70 3.046 -4.192 -5.726 1.00 0.00 O ATOM 1004 CB PRO A 70 1.100 -6.186 -7.244 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.233 -5.704 -7.700 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.490 -4.426 -6.952 1.00 0.00 C ATOM 0 HA PRO A 70 0.960 -6.513 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.901 -5.762 -7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.178 -7.270 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.239 -5.534 -8.777 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.007 -6.442 -7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.147 -3.556 -7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.553 -4.281 -6.757 1.00 0.00 H new ATOM 1014 N ILE A 71 3.397 -6.246 -4.877 1.00 0.00 N ATOM 1015 CA ILE A 71 4.783 -5.978 -4.513 1.00 0.00 C ATOM 1016 C ILE A 71 5.596 -5.533 -5.726 1.00 0.00 C ATOM 1017 O ILE A 71 6.343 -4.557 -5.660 1.00 0.00 O ATOM 1018 CB ILE A 71 5.449 -7.217 -3.879 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.870 -6.886 -3.420 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.462 -8.379 -4.862 1.00 0.00 C ATOM 1021 CD1 ILE A 71 7.238 -7.514 -2.092 1.00 0.00 C ATOM 0 H ILE A 71 3.075 -7.187 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 71 4.767 -5.172 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 71 4.866 -7.512 -3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.576 -7.222 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.975 -5.804 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.936 -9.244 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.439 -8.632 -5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.021 -8.095 -5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.259 -7.237 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.555 -7.159 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.165 -8.599 -2.170 1.00 0.00 H new ATOM 1033 N HIS A 72 5.443 -6.252 -6.834 1.00 0.00 N ATOM 1034 CA HIS A 72 6.163 -5.925 -8.059 1.00 0.00 C ATOM 1035 C HIS A 72 5.779 -4.537 -8.562 1.00 0.00 C ATOM 1036 O HIS A 72 6.557 -3.879 -9.253 1.00 0.00 O ATOM 1037 CB HIS A 72 5.879 -6.970 -9.141 1.00 0.00 C ATOM 1038 CG HIS A 72 4.430 -7.320 -9.272 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.847 -8.415 -8.674 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.437 -6.694 -9.956 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.548 -8.423 -9.006 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.249 -7.399 -9.782 1.00 0.00 N ATOM 0 H HIS A 72 4.828 -7.063 -6.908 1.00 0.00 H new ATOM 0 HA HIS A 72 7.230 -5.928 -7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.242 -6.597 -10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.444 -7.875 -8.917 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.551 -5.793 -10.541 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.839 -9.170 -8.681 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.335 -7.171 -10.174 1.00 0.00 H new ATOM 1050 N LYS A 73 4.575 -4.095 -8.210 1.00 0.00 N ATOM 1051 CA LYS A 73 4.090 -2.784 -8.624 1.00 0.00 C ATOM 1052 C LYS A 73 4.685 -1.682 -7.751 1.00 0.00 C ATOM 1053 O LYS A 73 4.808 -0.536 -8.182 1.00 0.00 O ATOM 1054 CB LYS A 73 2.563 -2.736 -8.555 1.00 0.00 C ATOM 1055 CG LYS A 73 1.881 -3.328 -9.777 1.00 0.00 C ATOM 1056 CD LYS A 73 1.893 -2.355 -10.946 1.00 0.00 C ATOM 1057 CE LYS A 73 1.681 -3.074 -12.269 1.00 0.00 C ATOM 1058 NZ LYS A 73 0.940 -2.231 -13.247 1.00 0.00 N ATOM 0 H LYS A 73 3.918 -4.626 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 73 4.406 -2.617 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.230 -3.274 -7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.245 -1.700 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.384 -4.251 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.852 -3.590 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.112 -1.608 -10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.844 -1.822 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.647 -3.353 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.130 -3.998 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.816 -2.757 -14.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.008 -1.985 -12.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.478 -1.360 -13.433 1.00 0.00 H new ATOM 1072 N VAL A 74 5.051 -2.036 -6.522 1.00 0.00 N ATOM 1073 CA VAL A 74 5.631 -1.075 -5.592 1.00 0.00 C ATOM 1074 C VAL A 74 7.041 -0.679 -6.020 1.00 0.00 C ATOM 1075 O VAL A 74 7.796 -1.500 -6.541 1.00 0.00 O ATOM 1076 CB VAL A 74 5.680 -1.638 -4.158 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.141 -0.570 -3.178 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.321 -2.192 -3.755 1.00 0.00 C ATOM 0 H VAL A 74 4.956 -2.980 -6.148 1.00 0.00 H new ATOM 0 HA VAL A 74 4.989 -0.194 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 74 6.402 -2.455 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.169 -0.987 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.137 -0.227 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.448 0.271 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.375 -2.585 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.577 -1.397 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.037 -2.992 -4.439 1.00 0.00 H new ATOM 1088 N ILE A 75 7.389 0.584 -5.796 1.00 0.00 N ATOM 1089 CA ILE A 75 8.708 1.089 -6.157 1.00 0.00 C ATOM 1090 C ILE A 75 9.336 1.861 -5.003 1.00 0.00 C ATOM 1091 O ILE A 75 8.797 2.872 -4.552 1.00 0.00 O ATOM 1092 CB ILE A 75 8.640 2.005 -7.395 1.00 0.00 C ATOM 1093 CG1 ILE A 75 7.837 1.334 -8.510 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.042 2.349 -7.876 1.00 0.00 C ATOM 1095 CD1 ILE A 75 8.472 0.064 -9.032 1.00 0.00 C ATOM 0 H ILE A 75 6.776 1.276 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 75 9.325 0.221 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 75 8.135 2.930 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.838 1.105 -8.140 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.718 2.037 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 75 9.978 2.996 -8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.583 2.864 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.571 1.433 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.848 -0.357 -9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.460 0.289 -9.433 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.566 -0.656 -8.219 1.00 0.00 H new ATOM 1107 N ARG A 76 10.479 1.378 -4.527 1.00 0.00 N ATOM 1108 CA ARG A 76 11.182 2.022 -3.424 1.00 0.00 C ATOM 1109 C ARG A 76 11.963 3.238 -3.912 1.00 0.00 C ATOM 1110 O ARG A 76 12.835 3.124 -4.772 1.00 0.00 O ATOM 1111 CB ARG A 76 12.129 1.031 -2.746 1.00 0.00 C ATOM 1112 CG ARG A 76 12.225 1.213 -1.240 1.00 0.00 C ATOM 1113 CD ARG A 76 13.504 0.606 -0.686 1.00 0.00 C ATOM 1114 NE ARG A 76 14.004 1.344 0.472 1.00 0.00 N ATOM 1115 CZ ARG A 76 15.252 1.254 0.925 1.00 0.00 C ATOM 1116 NH1 ARG A 76 16.129 0.459 0.323 1.00 0.00 N ATOM 1117 NH2 ARG A 76 15.625 1.962 1.982 1.00 0.00 N ATOM 0 H ARG A 76 10.938 0.542 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 76 10.439 2.357 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.793 0.016 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.123 1.136 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.191 2.275 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.363 0.749 -0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.320 -0.431 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.266 0.594 -1.465 1.00 0.00 H new ATOM 0 HE ARG A 76 13.359 1.964 0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.847 -0.087 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.084 0.394 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.956 2.575 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.581 1.894 2.330 1.00 0.00 H new ATOM 1131 N ILE A 77 11.644 4.402 -3.355 1.00 0.00 N ATOM 1132 CA ILE A 77 12.316 5.639 -3.732 1.00 0.00 C ATOM 1133 C ILE A 77 12.851 6.370 -2.504 1.00 0.00 C ATOM 1134 O ILE A 77 12.272 7.359 -2.055 1.00 0.00 O ATOM 1135 CB ILE A 77 11.370 6.579 -4.504 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.066 6.777 -3.730 1.00 0.00 C ATOM 1137 CG2 ILE A 77 11.090 6.024 -5.893 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.475 8.161 -3.884 1.00 0.00 C ATOM 0 H ILE A 77 10.924 4.514 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 77 13.149 5.363 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 77 11.855 7.549 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.337 6.040 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.248 6.584 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.420 6.699 -6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.026 5.932 -6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.623 5.043 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.552 8.229 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.186 8.903 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.261 8.350 -4.936 1.00 0.00 H new