USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 ASN : amide:sc= -5.69! C(o=-4.5!,f=-13!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 149:sc= 1.15 (180deg=-0.188) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.114) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.538 USER MOD Single : A 27 TYR OH : rot 48:sc= 0.0978 USER MOD Single : A 28 SER OG : rot 38:sc= 0.393 USER MOD Single : A 29 THR OG1 : rot 153:sc= -2.42! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -40:sc= 0.508 USER MOD Single : A 36 THR OG1 : rot -109:sc= -0.166! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.163) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00571 USER MOD Single : A 57 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.5) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 59 THR OG1 : rot -162:sc= -0.228! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.273) USER MOD Single : A 66 CYS SG : rot -130:sc= -8.79! USER MOD Single : A 73 TYR OH : rot 76:sc= -2.62! USER MOD Single : A 75 TYR OH : rot 112:sc= 1.25 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 36:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.593 -10.379 7.617 1.00 0.00 N ATOM 103 CA PHE A 13 4.446 -10.003 6.221 1.00 0.00 C ATOM 104 C PHE A 13 5.465 -10.735 5.346 1.00 0.00 C ATOM 105 O PHE A 13 5.101 -11.349 4.344 1.00 0.00 O ATOM 106 CB PHE A 13 4.705 -8.497 6.135 1.00 0.00 C ATOM 107 CG PHE A 13 5.378 -8.056 4.834 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.733 -8.085 4.725 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.620 -7.634 3.786 1.00 0.00 C ATOM 110 CE1 PHE A 13 7.357 -7.675 3.517 1.00 0.00 C ATOM 111 CE2 PHE A 13 5.245 -7.224 2.578 1.00 0.00 C ATOM 112 CZ PHE A 13 6.600 -7.253 2.469 1.00 0.00 C ATOM 0 HA PHE A 13 3.449 -10.266 5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.757 -7.969 6.239 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.331 -8.197 6.976 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.335 -8.420 5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.544 -7.611 3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.433 -7.698 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.644 -6.889 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.075 -6.941 1.551 1.00 0.00 H new ATOM 122 N ARG A 14 6.722 -10.645 5.756 1.00 0.00 N ATOM 123 CA ARG A 14 7.796 -11.291 5.021 1.00 0.00 C ATOM 124 C ARG A 14 7.563 -12.802 4.959 1.00 0.00 C ATOM 125 O ARG A 14 7.972 -13.458 4.002 1.00 0.00 O ATOM 126 CB ARG A 14 9.152 -11.018 5.675 1.00 0.00 C ATOM 127 CG ARG A 14 10.156 -12.123 5.338 1.00 0.00 C ATOM 128 CD ARG A 14 11.590 -11.662 5.605 1.00 0.00 C ATOM 129 NE ARG A 14 12.152 -12.398 6.759 1.00 0.00 N ATOM 130 CZ ARG A 14 13.388 -12.190 7.261 1.00 0.00 C ATOM 131 NH1 ARG A 14 14.203 -11.264 6.712 1.00 0.00 N ATOM 132 NH2 ARG A 14 13.788 -12.906 8.295 1.00 0.00 N ATOM 0 H ARG A 14 7.020 -10.135 6.587 1.00 0.00 H new ATOM 0 HA ARG A 14 7.802 -10.879 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.537 -10.056 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.031 -10.949 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.939 -13.010 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.051 -12.408 4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.205 -11.830 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.605 -10.590 5.804 1.00 0.00 H new ATOM 0 HE ARG A 14 11.569 -13.107 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.886 -10.716 5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.135 -11.113 7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.166 -13.604 8.703 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.719 -12.761 8.686 1.00 0.00 H new ATOM 146 N LYS A 15 6.906 -13.310 5.991 1.00 0.00 N ATOM 147 CA LYS A 15 6.614 -14.732 6.066 1.00 0.00 C ATOM 148 C LYS A 15 5.878 -15.164 4.796 1.00 0.00 C ATOM 149 O LYS A 15 6.339 -16.049 4.078 1.00 0.00 O ATOM 150 CB LYS A 15 5.857 -15.056 7.356 1.00 0.00 C ATOM 151 CG LYS A 15 4.880 -16.214 7.142 1.00 0.00 C ATOM 152 CD LYS A 15 3.447 -15.701 6.986 1.00 0.00 C ATOM 153 CE LYS A 15 2.605 -16.673 6.156 1.00 0.00 C ATOM 154 NZ LYS A 15 2.553 -18.000 6.808 1.00 0.00 N ATOM 0 H LYS A 15 6.567 -12.763 6.782 1.00 0.00 H new ATOM 0 HA LYS A 15 7.538 -15.309 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.566 -15.314 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.313 -14.174 7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.167 -16.777 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.934 -16.901 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.995 -15.570 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.457 -14.722 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.595 -16.279 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.029 -16.769 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.872 -18.606 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.495 -18.439 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.255 -17.889 7.798 1.00 0.00 H new ATOM 168 N LYS A 16 4.745 -14.519 4.558 1.00 0.00 N ATOM 169 CA LYS A 16 3.941 -14.826 3.388 1.00 0.00 C ATOM 170 C LYS A 16 4.476 -14.042 2.187 1.00 0.00 C ATOM 171 O LYS A 16 4.399 -14.509 1.052 1.00 0.00 O ATOM 172 CB LYS A 16 2.459 -14.575 3.675 1.00 0.00 C ATOM 173 CG LYS A 16 1.573 -15.422 2.760 1.00 0.00 C ATOM 174 CD LYS A 16 1.647 -16.902 3.141 1.00 0.00 C ATOM 175 CE LYS A 16 0.801 -17.756 2.194 1.00 0.00 C ATOM 176 NZ LYS A 16 1.555 -18.954 1.763 1.00 0.00 N ATOM 0 H LYS A 16 4.365 -13.785 5.156 1.00 0.00 H new ATOM 0 HA LYS A 16 4.019 -15.884 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.242 -14.810 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.231 -13.519 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.541 -15.077 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.886 -15.293 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.684 -17.237 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.299 -17.035 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.120 -18.059 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.513 -17.167 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.966 -19.522 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.422 -18.660 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.808 -19.523 2.596 1.00 0.00 H new ATOM 190 N PHE A 17 5.006 -12.863 2.479 1.00 0.00 N ATOM 191 CA PHE A 17 5.553 -12.010 1.438 1.00 0.00 C ATOM 192 C PHE A 17 7.021 -12.348 1.168 1.00 0.00 C ATOM 193 O PHE A 17 7.802 -11.477 0.785 1.00 0.00 O ATOM 194 CB PHE A 17 5.458 -10.570 1.944 1.00 0.00 C ATOM 195 CG PHE A 17 4.045 -9.986 1.898 1.00 0.00 C ATOM 196 CD1 PHE A 17 3.048 -10.559 2.624 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.784 -8.894 1.130 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.736 -10.018 2.581 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.472 -8.353 1.087 1.00 0.00 C ATOM 200 CZ PHE A 17 1.476 -8.926 1.813 1.00 0.00 C ATOM 0 H PHE A 17 5.068 -12.479 3.422 1.00 0.00 H new ATOM 0 HA PHE A 17 4.999 -12.152 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.823 -10.532 2.971 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.119 -9.942 1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.254 -11.426 3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.575 -8.438 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.945 -10.473 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.265 -7.486 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.478 -8.514 1.780 1.00 0.00 H new ATOM 210 N LYS A 18 7.353 -13.613 1.379 1.00 0.00 N ATOM 211 CA LYS A 18 8.713 -14.076 1.163 1.00 0.00 C ATOM 212 C LYS A 18 9.324 -13.318 -0.017 1.00 0.00 C ATOM 213 O LYS A 18 10.430 -13.632 -0.456 1.00 0.00 O ATOM 214 CB LYS A 18 8.742 -15.597 0.999 1.00 0.00 C ATOM 215 CG LYS A 18 8.146 -16.013 -0.348 1.00 0.00 C ATOM 216 CD LYS A 18 6.782 -16.681 -0.161 1.00 0.00 C ATOM 217 CE LYS A 18 6.922 -18.021 0.563 1.00 0.00 C ATOM 218 NZ LYS A 18 6.860 -19.141 -0.403 1.00 0.00 N ATOM 0 H LYS A 18 6.703 -14.332 1.697 1.00 0.00 H new ATOM 0 HA LYS A 18 9.331 -13.861 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.769 -15.955 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.182 -16.065 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.042 -15.138 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.825 -16.700 -0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.126 -16.023 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.313 -16.836 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.868 -18.052 1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.128 -18.126 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.957 -20.043 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.947 -19.120 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.633 -19.048 -1.093 1.00 0.00 H new ATOM 232 N TYR A 19 8.579 -12.333 -0.497 1.00 0.00 N ATOM 233 CA TYR A 19 9.033 -11.528 -1.617 1.00 0.00 C ATOM 234 C TYR A 19 10.274 -10.716 -1.241 1.00 0.00 C ATOM 235 O TYR A 19 10.243 -9.931 -0.294 1.00 0.00 O ATOM 236 CB TYR A 19 7.887 -10.567 -1.938 1.00 0.00 C ATOM 237 CG TYR A 19 8.347 -9.178 -2.386 1.00 0.00 C ATOM 238 CD1 TYR A 19 9.177 -9.046 -3.481 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.931 -8.057 -1.696 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.609 -7.739 -3.902 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.363 -6.750 -2.118 1.00 0.00 C ATOM 242 CZ TYR A 19 9.181 -6.655 -3.200 1.00 0.00 C ATOM 243 OH TYR A 19 9.590 -5.421 -3.599 1.00 0.00 O ATOM 0 H TYR A 19 7.663 -12.074 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 19 9.296 -12.162 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.269 -11.004 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.256 -10.462 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.502 -9.923 -4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.281 -8.160 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.259 -7.621 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.045 -5.865 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 19 9.206 -4.742 -3.006 1.00 0.00 H new ATOM 253 N ASP A 20 11.337 -10.932 -2.002 1.00 0.00 N ATOM 254 CA ASP A 20 12.586 -10.230 -1.760 1.00 0.00 C ATOM 255 C ASP A 20 12.720 -9.079 -2.760 1.00 0.00 C ATOM 256 O ASP A 20 13.137 -9.286 -3.898 1.00 0.00 O ATOM 257 CB ASP A 20 13.786 -11.160 -1.946 1.00 0.00 C ATOM 258 CG ASP A 20 14.148 -12.001 -0.721 1.00 0.00 C ATOM 259 OD1 ASP A 20 13.265 -12.141 0.153 1.00 0.00 O ATOM 260 OD2 ASP A 20 15.300 -12.485 -0.685 1.00 0.00 O ATOM 0 H ASP A 20 11.359 -11.583 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 20 12.572 -9.861 -0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.581 -11.830 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.652 -10.560 -2.225 1.00 0.00 H new ATOM 265 N GLY A 21 12.360 -7.891 -2.297 1.00 0.00 N ATOM 266 CA GLY A 21 12.436 -6.707 -3.136 1.00 0.00 C ATOM 267 C GLY A 21 12.736 -5.461 -2.301 1.00 0.00 C ATOM 268 O GLY A 21 13.066 -5.565 -1.120 1.00 0.00 O ATOM 0 H GLY A 21 12.015 -7.723 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.213 -6.840 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.495 -6.574 -3.669 1.00 0.00 H new ATOM 272 N GLU A 22 12.612 -4.311 -2.946 1.00 0.00 N ATOM 273 CA GLU A 22 12.866 -3.046 -2.278 1.00 0.00 C ATOM 274 C GLU A 22 11.546 -2.358 -1.923 1.00 0.00 C ATOM 275 O GLU A 22 10.990 -1.620 -2.735 1.00 0.00 O ATOM 276 CB GLU A 22 13.744 -2.137 -3.140 1.00 0.00 C ATOM 277 CG GLU A 22 14.007 -0.802 -2.438 1.00 0.00 C ATOM 278 CD GLU A 22 14.638 0.207 -3.399 1.00 0.00 C ATOM 279 OE1 GLU A 22 14.314 0.124 -4.603 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.431 1.040 -2.907 1.00 0.00 O ATOM 0 H GLU A 22 12.339 -4.228 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 22 13.407 -3.248 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.691 -2.634 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.257 -1.958 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.071 -0.402 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.667 -0.959 -1.585 1.00 0.00 H new ATOM 287 N ILE A 23 11.084 -2.624 -0.711 1.00 0.00 N ATOM 288 CA ILE A 23 9.840 -2.040 -0.239 1.00 0.00 C ATOM 289 C ILE A 23 10.019 -0.529 -0.081 1.00 0.00 C ATOM 290 O ILE A 23 10.707 -0.074 0.831 1.00 0.00 O ATOM 291 CB ILE A 23 9.368 -2.741 1.037 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.043 -3.470 0.805 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.284 -1.756 2.204 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.860 -4.608 1.810 1.00 0.00 C ATOM 0 H ILE A 23 11.549 -3.237 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 23 9.046 -2.193 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 23 10.107 -3.496 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.216 -2.766 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.016 -3.868 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.946 -2.280 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.268 -1.323 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.578 -0.962 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.910 -5.109 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.676 -5.323 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.863 -4.204 2.822 1.00 0.00 H new ATOM 306 N ARG A 24 9.387 0.207 -0.983 1.00 0.00 N ATOM 307 CA ARG A 24 9.467 1.658 -0.955 1.00 0.00 C ATOM 308 C ARG A 24 8.239 2.271 -1.629 1.00 0.00 C ATOM 309 O ARG A 24 8.003 2.050 -2.816 1.00 0.00 O ATOM 310 CB ARG A 24 10.730 2.153 -1.663 1.00 0.00 C ATOM 311 CG ARG A 24 10.909 3.661 -1.474 1.00 0.00 C ATOM 312 CD ARG A 24 11.980 3.959 -0.423 1.00 0.00 C ATOM 313 NE ARG A 24 11.479 4.965 0.539 1.00 0.00 N ATOM 314 CZ ARG A 24 12.274 5.775 1.271 1.00 0.00 C ATOM 315 NH1 ARG A 24 13.617 5.703 1.155 1.00 0.00 N ATOM 316 NH2 ARG A 24 11.719 6.638 2.101 1.00 0.00 N ATOM 0 H ARG A 24 8.817 -0.174 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 24 9.504 1.968 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.601 1.628 -1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.670 1.921 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.188 4.119 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.962 4.108 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.250 3.043 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.885 4.326 -0.908 1.00 0.00 H new ATOM 0 HE ARG A 24 10.470 5.052 0.657 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.038 5.033 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.211 6.318 1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.703 6.686 2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.306 7.257 2.661 1.00 0.00 H new ATOM 330 N VAL A 25 7.489 3.030 -0.844 1.00 0.00 N ATOM 331 CA VAL A 25 6.291 3.677 -1.350 1.00 0.00 C ATOM 332 C VAL A 25 6.683 4.717 -2.402 1.00 0.00 C ATOM 333 O VAL A 25 7.078 5.831 -2.061 1.00 0.00 O ATOM 334 CB VAL A 25 5.487 4.272 -0.192 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.346 5.230 0.635 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.224 4.968 -0.701 1.00 0.00 C ATOM 0 H VAL A 25 7.688 3.211 0.140 1.00 0.00 H new ATOM 0 HA VAL A 25 5.642 2.949 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 25 5.178 3.453 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.751 5.639 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.201 4.692 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.699 6.043 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.671 5.382 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.501 5.772 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.598 4.247 -1.226 1.00 0.00 H new ATOM 346 N LEU A 26 6.561 4.316 -3.659 1.00 0.00 N ATOM 347 CA LEU A 26 6.898 5.200 -4.762 1.00 0.00 C ATOM 348 C LEU A 26 5.649 5.972 -5.191 1.00 0.00 C ATOM 349 O LEU A 26 5.696 7.189 -5.362 1.00 0.00 O ATOM 350 CB LEU A 26 7.555 4.412 -5.897 1.00 0.00 C ATOM 351 CG LEU A 26 8.566 5.182 -6.750 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.630 4.615 -8.170 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.258 6.681 -6.746 1.00 0.00 C ATOM 0 H LEU A 26 6.234 3.391 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 26 7.636 5.938 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.057 3.545 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.770 4.034 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 26 9.554 5.054 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.356 5.180 -8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.932 3.568 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.648 4.692 -8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.991 7.205 -7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.260 6.848 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.303 7.059 -5.725 1.00 0.00 H new ATOM 365 N TYR A 27 4.562 5.232 -5.354 1.00 0.00 N ATOM 366 CA TYR A 27 3.303 5.832 -5.760 1.00 0.00 C ATOM 367 C TYR A 27 2.181 5.464 -4.788 1.00 0.00 C ATOM 368 O TYR A 27 1.489 4.466 -4.982 1.00 0.00 O ATOM 369 CB TYR A 27 2.981 5.246 -7.137 1.00 0.00 C ATOM 370 CG TYR A 27 2.691 3.744 -7.121 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.733 2.840 -7.105 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.386 3.294 -7.123 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.460 1.426 -7.091 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.113 1.880 -7.108 1.00 0.00 C ATOM 375 CZ TYR A 27 2.163 1.016 -7.093 1.00 0.00 C ATOM 376 OH TYR A 27 1.905 -0.319 -7.079 1.00 0.00 O ATOM 0 H TYR A 27 4.527 4.222 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 27 3.384 6.919 -5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.118 5.768 -7.550 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.819 5.437 -7.807 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.754 3.193 -7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.570 4.002 -7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.266 0.708 -7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.097 1.514 -7.109 1.00 0.00 H new ATOM 0 HH TYR A 27 2.441 -0.749 -6.380 1.00 0.00 H new ATOM 386 N SER A 28 2.035 6.290 -3.762 1.00 0.00 N ATOM 387 CA SER A 28 1.009 6.064 -2.759 1.00 0.00 C ATOM 388 C SER A 28 -0.368 6.405 -3.332 1.00 0.00 C ATOM 389 O SER A 28 -0.672 7.572 -3.573 1.00 0.00 O ATOM 390 CB SER A 28 1.279 6.889 -1.499 1.00 0.00 C ATOM 391 OG SER A 28 1.415 8.278 -1.790 1.00 0.00 O ATOM 0 H SER A 28 2.611 7.117 -3.604 1.00 0.00 H new ATOM 0 HA SER A 28 1.029 5.010 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.464 6.745 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.188 6.529 -1.017 1.00 0.00 H new ATOM 0 HG SER A 28 0.783 8.528 -2.496 1.00 0.00 H new ATOM 397 N THR A 29 -1.163 5.365 -3.534 1.00 0.00 N ATOM 398 CA THR A 29 -2.501 5.540 -4.075 1.00 0.00 C ATOM 399 C THR A 29 -3.508 5.759 -2.945 1.00 0.00 C ATOM 400 O THR A 29 -3.251 5.393 -1.799 1.00 0.00 O ATOM 401 CB THR A 29 -2.821 4.324 -4.947 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.807 4.801 -5.858 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.536 3.217 -4.169 1.00 0.00 C ATOM 0 H THR A 29 -0.907 4.398 -3.333 1.00 0.00 H new ATOM 0 HA THR A 29 -2.562 6.431 -4.700 1.00 0.00 H new ATOM 0 HB THR A 29 -1.898 3.930 -5.373 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.762 4.283 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.740 2.378 -4.834 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.903 2.883 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.475 3.601 -3.771 1.00 0.00 H new ATOM 411 N LYS A 30 -4.635 6.355 -3.307 1.00 0.00 N ATOM 412 CA LYS A 30 -5.683 6.627 -2.337 1.00 0.00 C ATOM 413 C LYS A 30 -6.807 5.603 -2.507 1.00 0.00 C ATOM 414 O LYS A 30 -7.193 5.280 -3.629 1.00 0.00 O ATOM 415 CB LYS A 30 -6.152 8.079 -2.449 1.00 0.00 C ATOM 416 CG LYS A 30 -5.139 9.033 -1.812 1.00 0.00 C ATOM 417 CD LYS A 30 -4.848 10.219 -2.734 1.00 0.00 C ATOM 418 CE LYS A 30 -5.842 11.357 -2.492 1.00 0.00 C ATOM 419 NZ LYS A 30 -6.895 11.354 -3.533 1.00 0.00 N ATOM 0 H LYS A 30 -4.845 6.657 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.301 6.517 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.293 8.340 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.120 8.191 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.524 9.395 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.214 8.498 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.832 10.576 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.903 9.898 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.296 11.249 -1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.318 12.313 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.562 12.132 -3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.459 11.480 -4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.405 10.448 -3.508 1.00 0.00 H new ATOM 433 N VAL A 31 -7.300 5.121 -1.375 1.00 0.00 N ATOM 434 CA VAL A 31 -8.372 4.140 -1.385 1.00 0.00 C ATOM 435 C VAL A 31 -9.681 4.825 -1.784 1.00 0.00 C ATOM 436 O VAL A 31 -9.901 5.990 -1.455 1.00 0.00 O ATOM 437 CB VAL A 31 -8.453 3.441 -0.026 1.00 0.00 C ATOM 438 CG1 VAL A 31 -9.060 2.043 -0.164 1.00 0.00 C ATOM 439 CG2 VAL A 31 -7.078 3.378 0.642 1.00 0.00 C ATOM 0 H VAL A 31 -6.977 5.391 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.173 3.364 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.109 4.030 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.106 1.568 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.066 2.122 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.441 1.442 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.164 2.876 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.389 2.823 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.700 4.389 0.792 1.00 0.00 H new ATOM 449 N THR A 32 -10.515 4.073 -2.486 1.00 0.00 N ATOM 450 CA THR A 32 -11.796 4.593 -2.933 1.00 0.00 C ATOM 451 C THR A 32 -12.900 4.214 -1.945 1.00 0.00 C ATOM 452 O THR A 32 -12.641 3.544 -0.946 1.00 0.00 O ATOM 453 CB THR A 32 -12.047 4.077 -4.352 1.00 0.00 C ATOM 454 OG1 THR A 32 -13.305 4.643 -4.710 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.293 2.567 -4.390 1.00 0.00 C ATOM 0 H THR A 32 -10.329 3.107 -2.756 1.00 0.00 H new ATOM 0 HA THR A 32 -11.791 5.683 -2.964 1.00 0.00 H new ATOM 0 HB THR A 32 -11.193 4.322 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.544 4.361 -5.618 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.466 2.252 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.422 2.046 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.167 2.325 -3.785 1.00 0.00 H new ATOM 463 N THR A 33 -14.109 4.658 -2.257 1.00 0.00 N ATOM 464 CA THR A 33 -15.253 4.373 -1.409 1.00 0.00 C ATOM 465 C THR A 33 -15.783 2.964 -1.683 1.00 0.00 C ATOM 466 O THR A 33 -16.406 2.352 -0.817 1.00 0.00 O ATOM 467 CB THR A 33 -16.296 5.470 -1.638 1.00 0.00 C ATOM 468 OG1 THR A 33 -17.017 5.524 -0.410 1.00 0.00 O ATOM 469 CG2 THR A 33 -17.350 5.069 -2.672 1.00 0.00 C ATOM 0 H THR A 33 -14.321 5.213 -3.086 1.00 0.00 H new ATOM 0 HA THR A 33 -14.976 4.382 -0.355 1.00 0.00 H new ATOM 0 HB THR A 33 -15.798 6.383 -1.964 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.713 6.211 -0.469 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.065 5.882 -2.797 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.864 4.864 -3.626 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.873 4.175 -2.331 1.00 0.00 H new ATOM 477 N SER A 34 -15.517 2.492 -2.892 1.00 0.00 N ATOM 478 CA SER A 34 -15.960 1.167 -3.292 1.00 0.00 C ATOM 479 C SER A 34 -14.873 0.136 -2.980 1.00 0.00 C ATOM 480 O SER A 34 -14.923 -0.992 -3.469 1.00 0.00 O ATOM 481 CB SER A 34 -16.316 1.130 -4.779 1.00 0.00 C ATOM 482 OG SER A 34 -16.942 -0.096 -5.148 1.00 0.00 O ATOM 0 H SER A 34 -15.000 3.003 -3.608 1.00 0.00 H new ATOM 0 HA SER A 34 -16.858 0.921 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.981 1.961 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.412 1.268 -5.372 1.00 0.00 H new ATOM 0 HG SER A 34 -16.501 -0.840 -4.687 1.00 0.00 H new ATOM 488 N ILE A 35 -13.915 0.560 -2.169 1.00 0.00 N ATOM 489 CA ILE A 35 -12.818 -0.312 -1.786 1.00 0.00 C ATOM 490 C ILE A 35 -13.343 -1.407 -0.856 1.00 0.00 C ATOM 491 O ILE A 35 -14.495 -1.363 -0.428 1.00 0.00 O ATOM 492 CB ILE A 35 -11.668 0.503 -1.190 1.00 0.00 C ATOM 493 CG1 ILE A 35 -10.332 0.111 -1.824 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.639 0.376 0.334 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.476 -0.694 -0.845 1.00 0.00 C ATOM 0 H ILE A 35 -13.876 1.496 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.404 -0.810 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.838 1.554 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.511 -0.477 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.794 1.008 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.813 0.965 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.578 0.743 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.505 -0.670 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.532 -0.960 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.278 -0.094 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.007 -1.602 -0.559 1.00 0.00 H new ATOM 507 N THR A 36 -12.472 -2.364 -0.569 1.00 0.00 N ATOM 508 CA THR A 36 -12.833 -3.468 0.303 1.00 0.00 C ATOM 509 C THR A 36 -13.010 -2.977 1.741 1.00 0.00 C ATOM 510 O THR A 36 -12.063 -2.485 2.353 1.00 0.00 O ATOM 511 CB THR A 36 -11.764 -4.554 0.159 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.148 -5.547 1.106 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.389 -4.089 0.643 1.00 0.00 C ATOM 0 H THR A 36 -11.517 -2.397 -0.925 1.00 0.00 H new ATOM 0 HA THR A 36 -13.794 -3.897 0.019 1.00 0.00 H new ATOM 0 HB THR A 36 -11.697 -4.861 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.512 -5.552 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.667 -4.897 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.071 -3.225 0.059 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.448 -3.814 1.696 1.00 0.00 H new ATOM 521 N SER A 37 -14.229 -3.127 2.238 1.00 0.00 N ATOM 522 CA SER A 37 -14.542 -2.704 3.592 1.00 0.00 C ATOM 523 C SER A 37 -14.998 -3.905 4.423 1.00 0.00 C ATOM 524 O SER A 37 -14.828 -3.922 5.641 1.00 0.00 O ATOM 525 CB SER A 37 -15.618 -1.617 3.595 1.00 0.00 C ATOM 526 OG SER A 37 -16.834 -2.071 4.183 1.00 0.00 O ATOM 0 H SER A 37 -15.012 -3.536 1.727 1.00 0.00 H new ATOM 0 HA SER A 37 -13.639 -2.284 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.253 -0.748 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.809 -1.293 2.572 1.00 0.00 H new ATOM 0 HG SER A 37 -17.495 -1.348 4.167 1.00 0.00 H new ATOM 532 N LYS A 38 -15.569 -4.880 3.731 1.00 0.00 N ATOM 533 CA LYS A 38 -16.051 -6.082 4.389 1.00 0.00 C ATOM 534 C LYS A 38 -15.057 -7.221 4.154 1.00 0.00 C ATOM 535 O LYS A 38 -14.681 -7.926 5.089 1.00 0.00 O ATOM 536 CB LYS A 38 -17.476 -6.406 3.937 1.00 0.00 C ATOM 537 CG LYS A 38 -17.469 -7.384 2.760 1.00 0.00 C ATOM 538 CD LYS A 38 -18.895 -7.739 2.334 1.00 0.00 C ATOM 539 CE LYS A 38 -19.406 -6.770 1.266 1.00 0.00 C ATOM 540 NZ LYS A 38 -19.116 -7.292 -0.088 1.00 0.00 N ATOM 0 H LYS A 38 -15.709 -4.862 2.721 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.111 -5.928 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.036 -6.835 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.987 -5.488 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.934 -6.943 1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.933 -8.291 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.920 -8.758 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.555 -7.711 3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.480 -6.623 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.935 -5.796 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.469 -6.623 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.089 -7.410 -0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.586 -8.211 -0.214 1.00 0.00 H new ATOM 554 N LYS A 39 -14.660 -7.367 2.898 1.00 0.00 N ATOM 555 CA LYS A 39 -13.717 -8.408 2.527 1.00 0.00 C ATOM 556 C LYS A 39 -12.351 -8.095 3.141 1.00 0.00 C ATOM 557 O LYS A 39 -11.790 -7.026 2.904 1.00 0.00 O ATOM 558 CB LYS A 39 -13.683 -8.584 1.008 1.00 0.00 C ATOM 559 CG LYS A 39 -13.815 -10.060 0.624 1.00 0.00 C ATOM 560 CD LYS A 39 -15.238 -10.565 0.869 1.00 0.00 C ATOM 561 CE LYS A 39 -16.183 -10.105 -0.243 1.00 0.00 C ATOM 562 NZ LYS A 39 -16.486 -11.224 -1.162 1.00 0.00 N ATOM 0 H LYS A 39 -14.975 -6.781 2.124 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.034 -9.370 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.492 -8.013 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.749 -8.184 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.555 -10.191 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.109 -10.655 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.237 -11.654 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.597 -10.199 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.107 -9.723 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.729 -9.284 -0.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.128 -10.894 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.604 -11.570 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.939 -11.996 -0.632 1.00 0.00 H new ATOM 576 N TRP A 40 -11.854 -9.047 3.916 1.00 0.00 N ATOM 577 CA TRP A 40 -10.563 -8.886 4.565 1.00 0.00 C ATOM 578 C TRP A 40 -9.866 -10.248 4.575 1.00 0.00 C ATOM 579 O TRP A 40 -10.454 -11.248 4.983 1.00 0.00 O ATOM 580 CB TRP A 40 -10.724 -8.287 5.964 1.00 0.00 C ATOM 581 CG TRP A 40 -11.247 -6.849 5.969 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.179 -6.313 6.768 1.00 0.00 C ATOM 583 CD2 TRP A 40 -10.826 -5.778 5.097 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.389 -4.980 6.477 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.540 -4.645 5.428 1.00 0.00 C ATOM 586 CE3 TRP A 40 -9.873 -5.768 4.064 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.377 -3.418 4.774 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.722 -4.534 3.420 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.433 -3.384 3.741 1.00 0.00 C ATOM 0 H TRP A 40 -12.321 -9.933 4.110 1.00 0.00 H new ATOM 0 HA TRP A 40 -9.940 -8.180 4.016 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.406 -8.913 6.540 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -9.760 -8.314 6.473 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -12.701 -6.856 7.543 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.046 -4.356 6.945 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.302 -6.643 3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.949 -2.545 5.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.002 -4.471 2.617 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.258 -2.468 3.196 1.00 0.00 H new ATOM 600 N GLY A 41 -8.621 -10.242 4.120 1.00 0.00 N ATOM 601 CA GLY A 41 -7.837 -11.465 4.071 1.00 0.00 C ATOM 602 C GLY A 41 -6.588 -11.350 4.947 1.00 0.00 C ATOM 603 O GLY A 41 -6.148 -10.247 5.265 1.00 0.00 O ATOM 0 H GLY A 41 -8.136 -9.410 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.445 -12.305 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.546 -11.674 3.042 1.00 0.00 H new ATOM 607 N THR A 42 -6.052 -12.506 5.311 1.00 0.00 N ATOM 608 CA THR A 42 -4.862 -12.549 6.143 1.00 0.00 C ATOM 609 C THR A 42 -3.724 -11.762 5.489 1.00 0.00 C ATOM 610 O THR A 42 -2.938 -11.112 6.178 1.00 0.00 O ATOM 611 CB THR A 42 -4.516 -14.018 6.398 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.342 -13.963 7.204 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.063 -14.741 5.128 1.00 0.00 C ATOM 0 H THR A 42 -6.420 -13.419 5.045 1.00 0.00 H new ATOM 0 HA THR A 42 -5.036 -12.069 7.106 1.00 0.00 H new ATOM 0 HB THR A 42 -5.384 -14.528 6.816 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.049 -14.873 7.418 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.830 -15.779 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.861 -14.708 4.386 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.175 -14.252 4.728 1.00 0.00 H new ATOM 621 N ARG A 43 -3.673 -11.845 4.168 1.00 0.00 N ATOM 622 CA ARG A 43 -2.645 -11.148 3.414 1.00 0.00 C ATOM 623 C ARG A 43 -3.185 -9.818 2.884 1.00 0.00 C ATOM 624 O ARG A 43 -2.518 -9.139 2.105 1.00 0.00 O ATOM 625 CB ARG A 43 -2.155 -11.996 2.238 1.00 0.00 C ATOM 626 CG ARG A 43 -0.874 -12.750 2.603 1.00 0.00 C ATOM 627 CD ARG A 43 -0.140 -13.224 1.347 1.00 0.00 C ATOM 628 NE ARG A 43 -0.774 -14.455 0.824 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.788 -14.464 -0.067 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.293 -13.306 -0.543 1.00 0.00 N ATOM 631 NH2 ARG A 43 -2.279 -15.623 -0.466 1.00 0.00 N ATOM 0 H ARG A 43 -4.327 -12.384 3.600 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.808 -10.962 4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.930 -12.706 1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.971 -11.356 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.221 -12.102 3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.118 -13.607 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.161 -12.443 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.908 -13.415 1.579 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.423 -15.353 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.908 -12.415 -0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.059 -13.322 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.892 -16.493 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.045 -15.648 -1.139 1.00 0.00 H new ATOM 645 N ASP A 44 -4.389 -9.486 3.328 1.00 0.00 N ATOM 646 CA ASP A 44 -5.026 -8.249 2.908 1.00 0.00 C ATOM 647 C ASP A 44 -4.942 -7.227 4.043 1.00 0.00 C ATOM 648 O ASP A 44 -4.684 -7.587 5.191 1.00 0.00 O ATOM 649 CB ASP A 44 -6.504 -8.474 2.584 1.00 0.00 C ATOM 650 CG ASP A 44 -6.948 -7.970 1.209 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.070 -7.892 0.322 1.00 0.00 O ATOM 652 OD2 ASP A 44 -8.155 -7.673 1.076 1.00 0.00 O ATOM 0 H ASP A 44 -4.940 -10.052 3.974 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.511 -7.890 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.717 -9.541 2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.107 -7.982 3.347 1.00 0.00 H new ATOM 657 N LEU A 45 -5.163 -5.971 3.683 1.00 0.00 N ATOM 658 CA LEU A 45 -5.115 -4.894 4.657 1.00 0.00 C ATOM 659 C LEU A 45 -6.536 -4.573 5.126 1.00 0.00 C ATOM 660 O LEU A 45 -7.492 -4.718 4.367 1.00 0.00 O ATOM 661 CB LEU A 45 -4.370 -3.687 4.084 1.00 0.00 C ATOM 662 CG LEU A 45 -3.513 -2.895 5.075 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.364 -3.751 5.611 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.013 -1.592 4.448 1.00 0.00 C ATOM 0 H LEU A 45 -5.376 -5.675 2.730 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.550 -5.201 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.728 -4.033 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.101 -3.009 3.644 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.137 -2.624 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.770 -3.165 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.769 -4.626 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.733 -4.073 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.407 -1.049 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.410 -1.819 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.865 -0.979 4.155 1.00 0.00 H new ATOM 676 N GLN A 46 -6.629 -4.143 6.376 1.00 0.00 N ATOM 677 CA GLN A 46 -7.916 -3.801 6.956 1.00 0.00 C ATOM 678 C GLN A 46 -8.252 -2.335 6.676 1.00 0.00 C ATOM 679 O GLN A 46 -8.919 -1.683 7.477 1.00 0.00 O ATOM 680 CB GLN A 46 -7.935 -4.090 8.458 1.00 0.00 C ATOM 681 CG GLN A 46 -9.226 -3.577 9.099 1.00 0.00 C ATOM 682 CD GLN A 46 -9.643 -4.460 10.277 1.00 0.00 C ATOM 683 OE1 GLN A 46 -9.676 -4.039 11.421 1.00 0.00 O ATOM 684 NE2 GLN A 46 -9.957 -5.706 9.934 1.00 0.00 N ATOM 0 H GLN A 46 -5.833 -4.024 7.003 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.679 -4.424 6.490 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.842 -5.163 8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.076 -3.617 8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.084 -2.552 9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.022 -3.557 8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.908 -5.994 8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.247 -6.374 10.648 1.00 0.00 H new ATOM 693 N VAL A 47 -7.773 -1.859 5.535 1.00 0.00 N ATOM 694 CA VAL A 47 -8.014 -0.482 5.139 1.00 0.00 C ATOM 695 C VAL A 47 -9.514 -0.275 4.918 1.00 0.00 C ATOM 696 O VAL A 47 -10.255 -1.237 4.722 1.00 0.00 O ATOM 697 CB VAL A 47 -7.175 -0.138 3.907 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.681 -0.280 4.204 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.580 -0.999 2.709 1.00 0.00 C ATOM 0 H VAL A 47 -7.219 -2.403 4.873 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.704 0.203 5.928 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.368 0.904 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.107 -0.030 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.405 0.395 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.465 -1.307 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.968 -0.734 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.431 -2.051 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.630 -0.826 2.475 1.00 0.00 H new ATOM 709 N LYS A 48 -9.916 0.987 4.957 1.00 0.00 N ATOM 710 CA LYS A 48 -11.314 1.333 4.764 1.00 0.00 C ATOM 711 C LYS A 48 -11.471 2.080 3.437 1.00 0.00 C ATOM 712 O LYS A 48 -10.507 2.641 2.919 1.00 0.00 O ATOM 713 CB LYS A 48 -11.847 2.106 5.972 1.00 0.00 C ATOM 714 CG LYS A 48 -12.560 1.171 6.950 1.00 0.00 C ATOM 715 CD LYS A 48 -11.586 0.629 7.999 1.00 0.00 C ATOM 716 CE LYS A 48 -12.336 0.121 9.232 1.00 0.00 C ATOM 717 NZ LYS A 48 -13.327 -0.909 8.849 1.00 0.00 N ATOM 0 H LYS A 48 -9.298 1.782 5.119 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.924 0.432 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.023 2.609 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.536 2.881 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.372 1.706 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.010 0.342 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.996 -0.180 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.887 1.413 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.629 -0.296 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.839 0.952 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.680 -1.386 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.121 -0.459 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.877 -1.608 8.224 1.00 0.00 H new ATOM 731 N PRO A 49 -12.726 2.062 2.913 1.00 0.00 N ATOM 732 CA PRO A 49 -13.022 2.731 1.658 1.00 0.00 C ATOM 733 C PRO A 49 -13.084 4.248 1.846 1.00 0.00 C ATOM 734 O PRO A 49 -13.850 4.744 2.670 1.00 0.00 O ATOM 735 CB PRO A 49 -14.342 2.135 1.196 1.00 0.00 C ATOM 736 CG PRO A 49 -14.966 1.500 2.428 1.00 0.00 C ATOM 737 CD PRO A 49 -13.892 1.408 3.500 1.00 0.00 C ATOM 0 HA PRO A 49 -12.247 2.578 0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.993 2.904 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.183 1.394 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.807 2.097 2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.355 0.510 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.205 1.906 4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.677 0.371 3.757 1.00 0.00 H new ATOM 745 N GLY A 50 -12.268 4.943 1.067 1.00 0.00 N ATOM 746 CA GLY A 50 -12.221 6.393 1.137 1.00 0.00 C ATOM 747 C GLY A 50 -11.014 6.864 1.951 1.00 0.00 C ATOM 748 O GLY A 50 -10.944 8.025 2.350 1.00 0.00 O ATOM 0 H GLY A 50 -11.634 4.528 0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.169 6.808 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.139 6.769 1.590 1.00 0.00 H new ATOM 752 N GLU A 51 -10.093 5.937 2.174 1.00 0.00 N ATOM 753 CA GLU A 51 -8.893 6.243 2.934 1.00 0.00 C ATOM 754 C GLU A 51 -7.687 6.352 1.999 1.00 0.00 C ATOM 755 O GLU A 51 -7.783 6.030 0.816 1.00 0.00 O ATOM 756 CB GLU A 51 -8.650 5.194 4.021 1.00 0.00 C ATOM 757 CG GLU A 51 -8.964 5.759 5.408 1.00 0.00 C ATOM 758 CD GLU A 51 -10.410 6.255 5.483 1.00 0.00 C ATOM 759 OE1 GLU A 51 -11.244 5.688 4.744 1.00 0.00 O ATOM 760 OE2 GLU A 51 -10.648 7.190 6.278 1.00 0.00 O ATOM 0 H GLU A 51 -10.154 4.975 1.842 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.034 7.204 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.271 4.318 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.612 4.862 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.800 4.991 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.282 6.579 5.634 1.00 0.00 H new ATOM 767 N SER A 52 -6.579 6.808 2.565 1.00 0.00 N ATOM 768 CA SER A 52 -5.355 6.963 1.797 1.00 0.00 C ATOM 769 C SER A 52 -4.179 6.344 2.555 1.00 0.00 C ATOM 770 O SER A 52 -3.974 6.633 3.732 1.00 0.00 O ATOM 771 CB SER A 52 -5.076 8.438 1.498 1.00 0.00 C ATOM 772 OG SER A 52 -4.399 9.082 2.574 1.00 0.00 O ATOM 0 H SER A 52 -6.503 7.075 3.546 1.00 0.00 H new ATOM 0 HA SER A 52 -5.480 6.444 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.475 8.517 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.017 8.952 1.302 1.00 0.00 H new ATOM 0 HG SER A 52 -4.238 10.021 2.344 1.00 0.00 H new ATOM 778 N LEU A 53 -3.438 5.504 1.848 1.00 0.00 N ATOM 779 CA LEU A 53 -2.288 4.841 2.439 1.00 0.00 C ATOM 780 C LEU A 53 -1.157 4.777 1.410 1.00 0.00 C ATOM 781 O LEU A 53 -1.363 5.079 0.236 1.00 0.00 O ATOM 782 CB LEU A 53 -2.687 3.474 3.000 1.00 0.00 C ATOM 783 CG LEU A 53 -2.091 2.258 2.288 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.374 1.339 3.280 1.00 0.00 C ATOM 785 CD2 LEU A 53 -3.161 1.512 1.488 1.00 0.00 C ATOM 0 H LEU A 53 -3.611 5.267 0.871 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.915 5.412 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.396 3.435 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.774 3.393 2.968 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.344 2.611 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.959 0.482 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.568 1.888 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.083 0.991 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.711 0.652 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.948 1.172 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.588 2.180 0.740 1.00 0.00 H new ATOM 797 N GLU A 54 0.014 4.382 1.889 1.00 0.00 N ATOM 798 CA GLU A 54 1.177 4.275 1.025 1.00 0.00 C ATOM 799 C GLU A 54 1.100 2.998 0.186 1.00 0.00 C ATOM 800 O GLU A 54 0.782 1.929 0.704 1.00 0.00 O ATOM 801 CB GLU A 54 2.471 4.317 1.841 1.00 0.00 C ATOM 802 CG GLU A 54 3.126 5.697 1.760 1.00 0.00 C ATOM 803 CD GLU A 54 2.888 6.494 3.044 1.00 0.00 C ATOM 804 OE1 GLU A 54 3.092 5.901 4.126 1.00 0.00 O ATOM 805 OE2 GLU A 54 2.507 7.677 2.916 1.00 0.00 O ATOM 0 H GLU A 54 0.182 4.132 2.864 1.00 0.00 H new ATOM 0 HA GLU A 54 1.183 5.130 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.257 4.073 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.163 3.560 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.197 5.586 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.724 6.245 0.908 1.00 0.00 H new ATOM 812 N VAL A 55 1.396 3.152 -1.096 1.00 0.00 N ATOM 813 CA VAL A 55 1.364 2.024 -2.012 1.00 0.00 C ATOM 814 C VAL A 55 2.796 1.613 -2.358 1.00 0.00 C ATOM 815 O VAL A 55 3.637 2.462 -2.650 1.00 0.00 O ATOM 816 CB VAL A 55 0.529 2.376 -3.245 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.045 1.641 -4.484 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.953 2.076 -3.008 1.00 0.00 C ATOM 0 H VAL A 55 1.659 4.040 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 55 0.883 1.165 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 55 0.630 3.447 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.434 1.909 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.081 1.925 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.988 0.565 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.524 2.335 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.079 1.015 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.313 2.664 -2.163 1.00 0.00 H new ATOM 828 N ILE A 56 3.030 0.309 -2.313 1.00 0.00 N ATOM 829 CA ILE A 56 4.346 -0.226 -2.618 1.00 0.00 C ATOM 830 C ILE A 56 4.413 -0.590 -4.103 1.00 0.00 C ATOM 831 O ILE A 56 3.895 0.139 -4.948 1.00 0.00 O ATOM 832 CB ILE A 56 4.681 -1.390 -1.684 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.362 -1.036 -0.230 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.135 -1.834 -1.860 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.934 -2.083 0.728 1.00 0.00 C ATOM 0 H ILE A 56 2.330 -0.392 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 56 5.114 0.527 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 56 4.051 -2.237 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.775 -0.056 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.282 -0.968 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.347 -2.663 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.295 -2.155 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.800 -1.001 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.693 -1.807 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.501 -3.057 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.017 -2.131 0.610 1.00 0.00 H new ATOM 847 N GLN A 57 5.055 -1.716 -4.375 1.00 0.00 N ATOM 848 CA GLN A 57 5.196 -2.186 -5.743 1.00 0.00 C ATOM 849 C GLN A 57 4.116 -3.222 -6.062 1.00 0.00 C ATOM 850 O GLN A 57 3.555 -3.838 -5.158 1.00 0.00 O ATOM 851 CB GLN A 57 6.594 -2.759 -5.984 1.00 0.00 C ATOM 852 CG GLN A 57 7.642 -1.646 -6.029 1.00 0.00 C ATOM 853 CD GLN A 57 7.472 -0.783 -7.281 1.00 0.00 C ATOM 854 OE1 GLN A 57 8.042 -1.043 -8.328 1.00 0.00 O ATOM 855 NE2 GLN A 57 6.659 0.257 -7.115 1.00 0.00 N ATOM 0 H GLN A 57 5.484 -2.317 -3.671 1.00 0.00 H new ATOM 0 HA GLN A 57 5.067 -1.337 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.843 -3.466 -5.192 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.607 -3.314 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.554 -1.023 -5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.641 -2.082 -6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.214 0.417 -6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.481 0.894 -7.891 1.00 0.00 H new ATOM 864 N THR A 58 3.857 -3.380 -7.352 1.00 0.00 N ATOM 865 CA THR A 58 2.854 -4.331 -7.802 1.00 0.00 C ATOM 866 C THR A 58 3.315 -5.763 -7.526 1.00 0.00 C ATOM 867 O THR A 58 4.426 -6.143 -7.892 1.00 0.00 O ATOM 868 CB THR A 58 2.573 -4.057 -9.281 1.00 0.00 C ATOM 869 OG1 THR A 58 3.865 -3.856 -9.848 1.00 0.00 O ATOM 870 CG2 THR A 58 1.857 -2.724 -9.504 1.00 0.00 C ATOM 0 H THR A 58 4.324 -2.866 -8.099 1.00 0.00 H new ATOM 0 HA THR A 58 1.921 -4.212 -7.251 1.00 0.00 H new ATOM 0 HB THR A 58 1.969 -4.866 -9.692 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.777 -3.674 -10.807 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.682 -2.579 -10.570 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.903 -2.731 -8.977 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.475 -1.911 -9.124 1.00 0.00 H new ATOM 878 N THR A 59 2.438 -6.520 -6.883 1.00 0.00 N ATOM 879 CA THR A 59 2.741 -7.902 -6.554 1.00 0.00 C ATOM 880 C THR A 59 2.985 -8.713 -7.829 1.00 0.00 C ATOM 881 O THR A 59 4.127 -9.032 -8.156 1.00 0.00 O ATOM 882 CB THR A 59 1.595 -8.447 -5.698 1.00 0.00 C ATOM 883 OG1 THR A 59 1.942 -8.064 -4.370 1.00 0.00 O ATOM 884 CG2 THR A 59 1.574 -9.976 -5.653 1.00 0.00 C ATOM 0 H THR A 59 1.517 -6.202 -6.581 1.00 0.00 H new ATOM 0 HA THR A 59 3.662 -7.978 -5.976 1.00 0.00 H new ATOM 0 HB THR A 59 0.645 -8.083 -6.089 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.436 -8.607 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.742 -10.310 -5.033 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.454 -10.368 -6.663 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.511 -10.340 -5.231 1.00 0.00 H new ATOM 892 N ASP A 60 1.894 -9.022 -8.513 1.00 0.00 N ATOM 893 CA ASP A 60 1.975 -9.789 -9.745 1.00 0.00 C ATOM 894 C ASP A 60 1.743 -8.859 -10.936 1.00 0.00 C ATOM 895 O ASP A 60 2.682 -8.248 -11.444 1.00 0.00 O ATOM 896 CB ASP A 60 0.906 -10.883 -9.784 1.00 0.00 C ATOM 897 CG ASP A 60 0.652 -11.490 -11.165 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.646 -11.650 -11.906 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.530 -11.780 -11.448 1.00 0.00 O ATOM 0 H ASP A 60 0.949 -8.755 -8.238 1.00 0.00 H new ATOM 0 HA ASP A 60 2.963 -10.248 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.199 -11.681 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.030 -10.469 -9.408 1.00 0.00 H new ATOM 904 N ASP A 61 0.486 -8.780 -11.348 1.00 0.00 N ATOM 905 CA ASP A 61 0.118 -7.934 -12.471 1.00 0.00 C ATOM 906 C ASP A 61 -0.851 -6.851 -11.992 1.00 0.00 C ATOM 907 O ASP A 61 -0.591 -5.661 -12.162 1.00 0.00 O ATOM 908 CB ASP A 61 -0.581 -8.743 -13.565 1.00 0.00 C ATOM 909 CG ASP A 61 0.266 -9.014 -14.810 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.507 -9.040 -14.658 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.346 -9.190 -15.886 1.00 0.00 O ATOM 0 H ASP A 61 -0.290 -9.288 -10.924 1.00 0.00 H new ATOM 0 HA ASP A 61 1.030 -7.495 -12.875 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.897 -9.698 -13.144 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.484 -8.213 -13.867 1.00 0.00 H new ATOM 916 N THR A 62 -1.949 -7.302 -11.404 1.00 0.00 N ATOM 917 CA THR A 62 -2.958 -6.387 -10.899 1.00 0.00 C ATOM 918 C THR A 62 -3.065 -6.497 -9.377 1.00 0.00 C ATOM 919 O THR A 62 -4.077 -6.960 -8.854 1.00 0.00 O ATOM 920 CB THR A 62 -4.272 -6.686 -11.624 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.863 -7.255 -12.864 1.00 0.00 O ATOM 922 CG2 THR A 62 -5.021 -5.414 -12.026 1.00 0.00 C ATOM 0 H THR A 62 -2.162 -8.290 -11.266 1.00 0.00 H new ATOM 0 HA THR A 62 -2.688 -5.350 -11.100 1.00 0.00 H new ATOM 0 HB THR A 62 -4.909 -7.295 -10.983 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.654 -7.481 -13.397 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.946 -5.682 -12.537 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.255 -4.832 -11.134 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.397 -4.820 -12.694 1.00 0.00 H new ATOM 930 N LYS A 63 -2.006 -6.064 -8.708 1.00 0.00 N ATOM 931 CA LYS A 63 -1.968 -6.108 -7.257 1.00 0.00 C ATOM 932 C LYS A 63 -0.945 -5.091 -6.746 1.00 0.00 C ATOM 933 O LYS A 63 0.192 -5.060 -7.214 1.00 0.00 O ATOM 934 CB LYS A 63 -1.710 -7.536 -6.771 1.00 0.00 C ATOM 935 CG LYS A 63 -1.544 -7.576 -5.250 1.00 0.00 C ATOM 936 CD LYS A 63 -2.904 -7.633 -4.552 1.00 0.00 C ATOM 937 CE LYS A 63 -3.236 -9.060 -4.112 1.00 0.00 C ATOM 938 NZ LYS A 63 -3.921 -9.792 -5.201 1.00 0.00 N ATOM 0 H LYS A 63 -1.168 -5.681 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.935 -5.824 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.538 -8.180 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.813 -7.930 -7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.950 -8.445 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.997 -6.694 -4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.899 -6.973 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.678 -7.267 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.321 -9.583 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.871 -9.035 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.333 -10.669 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.676 -9.197 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.236 -10.024 -5.948 1.00 0.00 H new ATOM 952 N VAL A 64 -1.387 -4.283 -5.793 1.00 0.00 N ATOM 953 CA VAL A 64 -0.525 -3.267 -5.214 1.00 0.00 C ATOM 954 C VAL A 64 -0.468 -3.457 -3.697 1.00 0.00 C ATOM 955 O VAL A 64 -1.502 -3.479 -3.032 1.00 0.00 O ATOM 956 CB VAL A 64 -1.008 -1.875 -5.625 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.107 -1.756 -7.148 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.344 -1.540 -4.961 1.00 0.00 C ATOM 0 H VAL A 64 -2.331 -4.312 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 64 0.492 -3.368 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.271 -1.150 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.453 -0.757 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.126 -1.930 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.813 -2.496 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.665 -0.545 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.093 -2.272 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.228 -1.563 -3.877 1.00 0.00 H new ATOM 968 N LEU A 65 0.751 -3.589 -3.195 1.00 0.00 N ATOM 969 CA LEU A 65 0.956 -3.775 -1.768 1.00 0.00 C ATOM 970 C LEU A 65 1.113 -2.410 -1.097 1.00 0.00 C ATOM 971 O LEU A 65 2.010 -1.643 -1.443 1.00 0.00 O ATOM 972 CB LEU A 65 2.130 -4.723 -1.516 1.00 0.00 C ATOM 973 CG LEU A 65 3.018 -4.387 -0.316 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.405 -4.912 0.984 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.443 -4.902 -0.526 1.00 0.00 C ATOM 0 H LEU A 65 1.606 -3.571 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 65 0.087 -4.253 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.735 -5.730 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.753 -4.743 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 65 3.078 -3.302 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.056 -4.660 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.427 -4.456 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.295 -5.995 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.053 -4.650 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.424 -5.984 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.870 -4.439 -1.416 1.00 0.00 H new ATOM 987 N CYS A 66 0.226 -2.147 -0.148 1.00 0.00 N ATOM 988 CA CYS A 66 0.255 -0.887 0.575 1.00 0.00 C ATOM 989 C CYS A 66 0.960 -1.117 1.913 1.00 0.00 C ATOM 990 O CYS A 66 1.077 -2.253 2.370 1.00 0.00 O ATOM 991 CB CYS A 66 -1.150 -0.310 0.762 1.00 0.00 C ATOM 992 SG CYS A 66 -2.120 -0.514 -0.776 1.00 0.00 S ATOM 0 H CYS A 66 -0.517 -2.785 0.137 1.00 0.00 H new ATOM 0 HA CYS A 66 0.807 -0.146 -0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.652 -0.814 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.086 0.746 1.024 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.667 0.621 -1.098 1.00 0.00 H new ATOM 998 N ARG A 67 1.413 -0.021 2.503 1.00 0.00 N ATOM 999 CA ARG A 67 2.104 -0.089 3.780 1.00 0.00 C ATOM 1000 C ARG A 67 1.579 0.994 4.726 1.00 0.00 C ATOM 1001 O ARG A 67 1.245 2.095 4.291 1.00 0.00 O ATOM 1002 CB ARG A 67 3.613 0.089 3.600 1.00 0.00 C ATOM 1003 CG ARG A 67 4.389 -0.798 4.575 1.00 0.00 C ATOM 1004 CD ARG A 67 5.794 -0.243 4.821 1.00 0.00 C ATOM 1005 NE ARG A 67 6.232 -0.565 6.197 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.271 0.031 6.820 1.00 0.00 C ATOM 1007 NH1 ARG A 67 7.989 0.986 6.193 1.00 0.00 N ATOM 1008 NH2 ARG A 67 7.574 -0.335 8.051 1.00 0.00 N ATOM 0 H ARG A 67 1.315 0.920 2.121 1.00 0.00 H new ATOM 0 HA ARG A 67 1.914 -1.073 4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.893 -0.159 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.881 1.133 3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.850 -0.865 5.520 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.458 -1.810 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.493 -0.667 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.798 0.837 4.673 1.00 0.00 H new ATOM 0 HE ARG A 67 5.717 -1.282 6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.748 1.263 5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.772 1.431 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.026 -1.058 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.356 0.105 8.536 1.00 0.00 H new ATOM 1022 N ASN A 68 1.522 0.642 6.002 1.00 0.00 N ATOM 1023 CA ASN A 68 1.044 1.570 7.013 1.00 0.00 C ATOM 1024 C ASN A 68 2.154 1.822 8.034 1.00 0.00 C ATOM 1025 O ASN A 68 2.913 0.913 8.369 1.00 0.00 O ATOM 1026 CB ASN A 68 -0.163 0.997 7.759 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.091 -0.530 7.828 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.829 -1.243 7.169 1.00 0.00 O ATOM 1029 ND2 ASN A 68 0.838 -0.990 8.662 1.00 0.00 N ATOM 0 H ASN A 68 1.799 -0.273 6.359 1.00 0.00 H new ATOM 0 HA ASN A 68 0.754 2.494 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.201 1.409 8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.082 1.299 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.965 -1.995 8.779 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.423 -0.337 9.184 1.00 0.00 H new ATOM 1036 N GLU A 69 2.215 3.060 8.501 1.00 0.00 N ATOM 1037 CA GLU A 69 3.221 3.444 9.478 1.00 0.00 C ATOM 1038 C GLU A 69 3.166 2.511 10.690 1.00 0.00 C ATOM 1039 O GLU A 69 4.089 2.489 11.502 1.00 0.00 O ATOM 1040 CB GLU A 69 3.046 4.903 9.901 1.00 0.00 C ATOM 1041 CG GLU A 69 4.392 5.632 9.926 1.00 0.00 C ATOM 1042 CD GLU A 69 4.783 6.011 11.355 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.298 7.067 11.815 1.00 0.00 O ATOM 1044 OE2 GLU A 69 5.558 5.236 11.956 1.00 0.00 O ATOM 0 H GLU A 69 1.584 3.811 8.221 1.00 0.00 H new ATOM 0 HA GLU A 69 4.204 3.350 9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.368 5.407 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.586 4.947 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.163 4.996 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.335 6.530 9.310 1.00 0.00 H new ATOM 1051 N GLU A 70 2.075 1.764 10.773 1.00 0.00 N ATOM 1052 CA GLU A 70 1.887 0.833 11.872 1.00 0.00 C ATOM 1053 C GLU A 70 3.020 -0.195 11.895 1.00 0.00 C ATOM 1054 O GLU A 70 3.173 -0.934 12.867 1.00 0.00 O ATOM 1055 CB GLU A 70 0.524 0.144 11.781 1.00 0.00 C ATOM 1056 CG GLU A 70 -0.145 0.068 13.154 1.00 0.00 C ATOM 1057 CD GLU A 70 -0.409 1.468 13.713 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -1.308 2.139 13.163 1.00 0.00 O ATOM 1059 OE2 GLU A 70 0.295 1.835 14.679 1.00 0.00 O ATOM 0 H GLU A 70 1.312 1.785 10.097 1.00 0.00 H new ATOM 0 HA GLU A 70 1.911 1.394 12.806 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.118 0.690 11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.647 -0.861 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.084 -0.479 13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.491 -0.488 13.842 1.00 0.00 H new ATOM 1066 N GLY A 71 3.786 -0.210 10.814 1.00 0.00 N ATOM 1067 CA GLY A 71 4.900 -1.135 10.698 1.00 0.00 C ATOM 1068 C GLY A 71 4.428 -2.503 10.204 1.00 0.00 C ATOM 1069 O GLY A 71 5.110 -3.508 10.400 1.00 0.00 O ATOM 0 H GLY A 71 3.657 0.404 10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.642 -0.732 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.390 -1.243 11.666 1.00 0.00 H new ATOM 1073 N LYS A 72 3.263 -2.499 9.572 1.00 0.00 N ATOM 1074 CA LYS A 72 2.692 -3.728 9.047 1.00 0.00 C ATOM 1075 C LYS A 72 2.407 -3.556 7.554 1.00 0.00 C ATOM 1076 O LYS A 72 2.106 -2.454 7.099 1.00 0.00 O ATOM 1077 CB LYS A 72 1.465 -4.139 9.864 1.00 0.00 C ATOM 1078 CG LYS A 72 0.577 -5.102 9.073 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.480 -4.339 8.273 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.752 -4.136 9.099 1.00 0.00 C ATOM 1081 NZ LYS A 72 -2.165 -2.715 9.073 1.00 0.00 N ATOM 0 H LYS A 72 2.699 -1.664 9.412 1.00 0.00 H new ATOM 0 HA LYS A 72 3.401 -4.550 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.784 -4.612 10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.893 -3.253 10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.191 -5.697 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.090 -5.798 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.082 -3.371 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.718 -4.888 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.553 -4.761 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.579 -4.452 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.201 -2.653 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.730 -2.212 9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.855 -2.280 8.181 1.00 0.00 H new ATOM 1095 N TYR A 73 2.511 -4.663 6.833 1.00 0.00 N ATOM 1096 CA TYR A 73 2.268 -4.648 5.401 1.00 0.00 C ATOM 1097 C TYR A 73 1.045 -5.495 5.044 1.00 0.00 C ATOM 1098 O TYR A 73 0.667 -6.393 5.794 1.00 0.00 O ATOM 1099 CB TYR A 73 3.509 -5.269 4.756 1.00 0.00 C ATOM 1100 CG TYR A 73 4.758 -4.389 4.837 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.381 -4.185 6.052 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.262 -3.800 3.696 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.557 -3.357 6.128 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.438 -2.972 3.772 1.00 0.00 C ATOM 1105 CZ TYR A 73 7.027 -2.791 4.984 1.00 0.00 C ATOM 1106 OH TYR A 73 8.137 -2.009 5.056 1.00 0.00 O ATOM 0 H TYR A 73 2.760 -5.576 7.214 1.00 0.00 H new ATOM 0 HA TYR A 73 2.081 -3.632 5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.718 -6.224 5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.294 -5.482 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.987 -4.646 6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.775 -3.960 2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.054 -3.189 7.072 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.843 -2.505 2.886 1.00 0.00 H new ATOM 0 HH TYR A 73 8.931 -2.576 5.151 1.00 0.00 H new ATOM 1116 N GLY A 74 0.461 -5.180 3.897 1.00 0.00 N ATOM 1117 CA GLY A 74 -0.711 -5.901 3.431 1.00 0.00 C ATOM 1118 C GLY A 74 -0.869 -5.770 1.915 1.00 0.00 C ATOM 1119 O GLY A 74 -0.312 -4.858 1.306 1.00 0.00 O ATOM 0 H GLY A 74 0.778 -4.435 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.626 -6.953 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.601 -5.515 3.928 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.630 -6.696 1.349 1.00 0.00 N ATOM 1124 CA TYR A 75 -1.867 -6.696 -0.084 1.00 0.00 C ATOM 1125 C TYR A 75 -3.259 -6.150 -0.409 1.00 0.00 C ATOM 1126 O TYR A 75 -4.172 -6.240 0.410 1.00 0.00 O ATOM 1127 CB TYR A 75 -1.791 -8.159 -0.525 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.366 -8.665 -0.756 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.519 -7.918 -1.507 1.00 0.00 C ATOM 1130 CD2 TYR A 75 0.035 -9.869 -0.213 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.860 -8.395 -1.724 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.376 -10.346 -0.431 1.00 0.00 C ATOM 1133 CZ TYR A 75 2.223 -9.586 -1.175 1.00 0.00 C ATOM 1134 OH TYR A 75 3.489 -10.036 -1.381 1.00 0.00 O ATOM 0 H TYR A 75 -2.090 -7.451 1.857 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.136 -6.068 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.269 -8.781 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.363 -8.281 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.206 -6.976 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.657 -10.453 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.562 -7.820 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.702 -11.287 -0.013 1.00 0.00 H new ATOM 0 HH TYR A 75 3.985 -10.016 -0.536 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.377 -5.595 -1.607 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.643 -5.035 -2.050 1.00 0.00 C ATOM 1146 C VAL A 76 -4.931 -5.505 -3.478 1.00 0.00 C ATOM 1147 O VAL A 76 -4.119 -5.301 -4.378 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.615 -3.511 -1.917 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.028 -2.950 -1.745 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -3.709 -3.078 -0.763 1.00 0.00 C ATOM 0 H VAL A 76 -2.617 -5.521 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.459 -5.389 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.202 -3.102 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.980 -1.865 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.632 -3.214 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.480 -3.371 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.707 -1.990 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.079 -3.503 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.694 -3.431 -0.945 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.091 -6.125 -3.639 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.497 -6.626 -4.941 1.00 0.00 C ATOM 1162 C LEU A 77 -6.912 -5.450 -5.828 1.00 0.00 C ATOM 1163 O LEU A 77 -7.529 -4.497 -5.354 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.581 -7.694 -4.790 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.488 -8.884 -5.748 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.836 -9.599 -5.866 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.949 -8.449 -7.112 1.00 0.00 C ATOM 0 H LEU A 77 -6.762 -6.292 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.661 -7.121 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.551 -8.072 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.553 -7.219 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.778 -9.601 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.743 -10.441 -6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.142 -9.963 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.585 -8.903 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.893 -9.313 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.615 -7.703 -7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.954 -8.020 -6.990 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.556 -5.555 -7.100 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.883 -4.512 -8.057 1.00 0.00 C ATOM 1181 C ARG A 78 -8.393 -4.266 -8.078 1.00 0.00 C ATOM 1182 O ARG A 78 -8.846 -3.197 -8.487 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.416 -4.890 -9.465 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.326 -5.956 -10.077 1.00 0.00 C ATOM 1185 CD ARG A 78 -8.241 -5.350 -11.143 1.00 0.00 C ATOM 1186 NE ARG A 78 -9.653 -5.438 -10.707 1.00 0.00 N ATOM 1187 CZ ARG A 78 -10.638 -4.639 -11.168 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -10.374 -3.683 -12.083 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -11.865 -4.807 -10.709 1.00 0.00 N ATOM 0 H ARG A 78 -6.044 -6.347 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.367 -3.603 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.410 -4.004 -10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.392 -5.261 -9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.720 -6.746 -10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.929 -6.417 -9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.970 -4.309 -11.318 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.110 -5.876 -12.088 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.897 -6.147 -10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.424 -3.560 -12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.125 -3.084 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.056 -5.532 -10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.622 -4.212 -11.046 1.00 0.00 H new ATOM 1203 N SER A 79 -9.131 -5.272 -7.633 1.00 0.00 N ATOM 1204 CA SER A 79 -10.580 -5.178 -7.595 1.00 0.00 C ATOM 1205 C SER A 79 -11.003 -3.876 -6.911 1.00 0.00 C ATOM 1206 O SER A 79 -11.686 -3.049 -7.512 1.00 0.00 O ATOM 1207 CB SER A 79 -11.192 -6.380 -6.872 1.00 0.00 C ATOM 1208 OG SER A 79 -12.575 -6.187 -6.591 1.00 0.00 O ATOM 0 H SER A 79 -8.752 -6.157 -7.295 1.00 0.00 H new ATOM 0 HA SER A 79 -10.949 -5.179 -8.621 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.068 -7.273 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.654 -6.555 -5.940 1.00 0.00 H new ATOM 0 HG SER A 79 -12.929 -6.977 -6.131 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.578 -3.736 -5.664 1.00 0.00 N ATOM 1215 CA TYR A 80 -10.904 -2.548 -4.892 1.00 0.00 C ATOM 1216 C TYR A 80 -9.638 -1.777 -4.512 1.00 0.00 C ATOM 1217 O TYR A 80 -9.146 -1.898 -3.392 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.584 -3.048 -3.616 1.00 0.00 C ATOM 1219 CG TYR A 80 -10.921 -4.282 -3.000 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -9.836 -4.136 -2.160 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.409 -5.542 -3.285 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.212 -5.297 -1.581 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.785 -6.703 -2.705 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.717 -6.523 -1.882 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.128 -7.620 -1.334 1.00 0.00 O ATOM 0 H TYR A 80 -10.011 -4.425 -5.169 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.540 -1.877 -5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.587 -2.244 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.625 -3.281 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.455 -3.150 -1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.258 -5.657 -3.942 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.362 -5.196 -0.922 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.157 -7.694 -2.919 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.835 -7.413 -0.422 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.148 -1.001 -5.468 1.00 0.00 N ATOM 1236 CA LEU A 81 -7.949 -0.210 -5.248 1.00 0.00 C ATOM 1237 C LEU A 81 -7.837 0.854 -6.342 1.00 0.00 C ATOM 1238 O LEU A 81 -8.155 0.593 -7.501 1.00 0.00 O ATOM 1239 CB LEU A 81 -6.721 -1.117 -5.144 1.00 0.00 C ATOM 1240 CG LEU A 81 -5.362 -0.418 -5.230 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -4.904 -0.288 -6.684 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.395 0.935 -4.516 1.00 0.00 C ATOM 0 H LEU A 81 -9.559 -0.903 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.009 0.317 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.771 -1.656 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.775 -1.862 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.627 -1.036 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.936 0.212 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.816 -1.280 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.634 0.296 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.417 1.411 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.146 1.574 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.645 0.786 -3.466 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.385 2.030 -5.934 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.227 3.135 -6.865 1.00 0.00 C ATOM 1256 C ALA A 82 -6.338 2.692 -8.029 1.00 0.00 C ATOM 1257 O ALA A 82 -5.801 1.586 -8.019 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.659 4.348 -6.126 1.00 0.00 C ATOM 0 H ALA A 82 -7.123 2.242 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.191 3.429 -7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.540 5.177 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.342 4.640 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.690 4.092 -5.698 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.211 3.579 -9.005 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.397 3.294 -10.174 1.00 0.00 C ATOM 1266 C ASP A 83 -3.984 2.916 -9.726 1.00 0.00 C ATOM 1267 O ASP A 83 -3.634 3.081 -8.559 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.293 4.518 -11.085 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.614 5.244 -11.347 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.209 5.715 -10.354 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -7.000 5.311 -12.534 1.00 0.00 O ATOM 0 H ASP A 83 -6.658 4.496 -9.010 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.867 2.477 -10.721 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.590 5.223 -10.642 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.872 4.206 -12.041 1.00 0.00 H new