USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 75 ASN : amide:sc= -0.0519 X(o=-0.053,f=-0.017) USER MOD Set 1.2: A 76 HIS : no HD1:sc=-0.00144 X(o=-0.053,f=-0.017) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.908 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 28 GLN : amide:sc= -4.19! C(o=-4.2!,f=-20!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -88:sc= -0.479 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0309 K(o=-0.031,f=-1.3!) USER MOD Single : A 48 SER OG : rot -92:sc= -0.0154 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.433 K(o=-0.43,f=-2.3!) USER MOD Single : A 57 MET CE :methyl 155:sc= -1.06 (180deg=-2.93!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 7.3e-05 USER MOD Single : A 70 GLN : amide:sc= -1.41 K(o=-1.4,f=-5.9!) USER MOD Single : A 73 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot -80:sc= -0.782 USER MOD Single : A 81 TYR OH : rot 131:sc= 1.28 USER MOD Single : A 90 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.21) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 94 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 10.057 -7.587 -3.956 1.00 0.00 N ATOM 104 CA GLY A 10 9.296 -7.794 -2.735 1.00 0.00 C ATOM 105 C GLY A 10 8.533 -6.527 -2.343 1.00 0.00 C ATOM 106 O GLY A 10 8.878 -5.869 -1.363 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.595 -8.617 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.969 -8.082 -1.927 1.00 0.00 H new ATOM 110 N LEU A 11 7.511 -6.223 -3.130 1.00 0.00 N ATOM 111 CA LEU A 11 6.697 -5.046 -2.877 1.00 0.00 C ATOM 112 C LEU A 11 5.778 -5.314 -1.683 1.00 0.00 C ATOM 113 O LEU A 11 5.305 -6.434 -1.498 1.00 0.00 O ATOM 114 CB LEU A 11 5.950 -4.629 -4.146 1.00 0.00 C ATOM 115 CG LEU A 11 5.914 -3.128 -4.439 1.00 0.00 C ATOM 116 CD1 LEU A 11 7.039 -2.729 -5.396 1.00 0.00 C ATOM 117 CD2 LEU A 11 4.540 -2.705 -4.963 1.00 0.00 C ATOM 0 H LEU A 11 7.228 -6.771 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 11 7.327 -4.197 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.408 -5.134 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.924 -4.990 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 11 6.081 -2.593 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.991 -1.657 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.002 -2.974 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.927 -3.271 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.541 -1.634 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.319 -3.246 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.780 -2.934 -4.216 1.00 0.00 H new ATOM 129 N ARG A 12 5.553 -4.266 -0.904 1.00 0.00 N ATOM 130 CA ARG A 12 4.700 -4.374 0.267 1.00 0.00 C ATOM 131 C ARG A 12 3.823 -3.127 0.402 1.00 0.00 C ATOM 132 O ARG A 12 4.333 -2.009 0.463 1.00 0.00 O ATOM 133 CB ARG A 12 5.531 -4.544 1.541 1.00 0.00 C ATOM 134 CG ARG A 12 6.490 -5.729 1.415 1.00 0.00 C ATOM 135 CD ARG A 12 6.788 -6.341 2.785 1.00 0.00 C ATOM 136 NE ARG A 12 8.231 -6.651 2.898 1.00 0.00 N ATOM 137 CZ ARG A 12 8.794 -7.226 3.970 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.040 -7.558 5.026 1.00 0.00 N ATOM 139 NH2 ARG A 12 10.112 -7.470 3.984 1.00 0.00 N ATOM 0 H ARG A 12 5.947 -3.338 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 12 4.070 -5.254 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.097 -3.633 1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.869 -4.696 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.055 -6.485 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.419 -5.401 0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.494 -5.649 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.201 -7.249 2.922 1.00 0.00 H new ATOM 0 HE ARG A 12 8.835 -6.412 2.111 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.037 -7.373 5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.469 -7.996 5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.686 -7.218 3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.541 -7.907 4.799 1.00 0.00 H new ATOM 153 N VAL A 13 2.520 -3.361 0.443 1.00 0.00 N ATOM 154 CA VAL A 13 1.567 -2.271 0.569 1.00 0.00 C ATOM 155 C VAL A 13 1.025 -2.236 1.999 1.00 0.00 C ATOM 156 O VAL A 13 0.154 -3.028 2.357 1.00 0.00 O ATOM 157 CB VAL A 13 0.467 -2.413 -0.484 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.636 -1.375 -0.269 1.00 0.00 C ATOM 159 CG2 VAL A 13 1.044 -2.315 -1.897 1.00 0.00 C ATOM 0 H VAL A 13 2.101 -4.290 0.391 1.00 0.00 H new ATOM 0 HA VAL A 13 2.055 -1.314 0.383 1.00 0.00 H new ATOM 0 HB VAL A 13 0.023 -3.402 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.405 -1.498 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.078 -1.513 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.212 -0.373 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.241 -2.419 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.528 -1.347 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.775 -3.109 -2.047 1.00 0.00 H new ATOM 169 N TYR A 14 1.562 -1.310 2.779 1.00 0.00 N ATOM 170 CA TYR A 14 1.143 -1.161 4.163 1.00 0.00 C ATOM 171 C TYR A 14 -0.215 -0.462 4.252 1.00 0.00 C ATOM 172 O TYR A 14 -0.294 0.762 4.157 1.00 0.00 O ATOM 173 CB TYR A 14 2.201 -0.281 4.832 1.00 0.00 C ATOM 174 CG TYR A 14 3.486 -1.026 5.201 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.344 -1.455 4.209 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.786 -1.268 6.526 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.553 -2.155 4.557 1.00 0.00 C ATOM 178 CE2 TYR A 14 4.996 -1.968 6.874 1.00 0.00 C ATOM 179 CZ TYR A 14 5.819 -2.377 5.872 1.00 0.00 C ATOM 180 OH TYR A 14 6.961 -3.039 6.200 1.00 0.00 O ATOM 0 H TYR A 14 2.284 -0.655 2.479 1.00 0.00 H new ATOM 0 HA TYR A 14 1.046 -2.135 4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.450 0.543 4.163 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.776 0.159 5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.109 -1.266 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.114 -0.933 7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.233 -2.496 3.791 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.244 -2.163 7.907 1.00 0.00 H new ATOM 0 HH TYR A 14 7.021 -3.125 7.174 1.00 0.00 H new ATOM 190 N SER A 15 -1.250 -1.269 4.434 1.00 0.00 N ATOM 191 CA SER A 15 -2.600 -0.743 4.537 1.00 0.00 C ATOM 192 C SER A 15 -3.264 -1.252 5.818 1.00 0.00 C ATOM 193 O SER A 15 -3.033 -2.386 6.233 1.00 0.00 O ATOM 194 CB SER A 15 -3.437 -1.131 3.316 1.00 0.00 C ATOM 195 OG SER A 15 -2.650 -1.754 2.305 1.00 0.00 O ATOM 0 H SER A 15 -1.180 -2.284 4.513 1.00 0.00 H new ATOM 0 HA SER A 15 -2.541 0.345 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.234 -1.808 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.915 -0.241 2.906 1.00 0.00 H new ATOM 0 HG SER A 15 -3.221 -1.988 1.544 1.00 0.00 H new ATOM 201 N THR A 16 -4.075 -0.387 6.410 1.00 0.00 N ATOM 202 CA THR A 16 -4.773 -0.735 7.636 1.00 0.00 C ATOM 203 C THR A 16 -6.218 -1.135 7.332 1.00 0.00 C ATOM 204 O THR A 16 -6.860 -0.544 6.465 1.00 0.00 O ATOM 205 CB THR A 16 -4.660 0.451 8.597 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.343 0.014 9.769 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.465 1.664 8.127 1.00 0.00 C ATOM 0 H THR A 16 -4.264 0.554 6.063 1.00 0.00 H new ATOM 0 HA THR A 16 -4.322 -1.604 8.115 1.00 0.00 H new ATOM 0 HB THR A 16 -3.612 0.731 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.317 0.722 10.446 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.350 2.477 8.844 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.101 1.987 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.518 1.394 8.050 1.00 0.00 H new ATOM 215 N SER A 17 -6.688 -2.136 8.062 1.00 0.00 N ATOM 216 CA SER A 17 -8.045 -2.622 7.881 1.00 0.00 C ATOM 217 C SER A 17 -9.013 -1.799 8.733 1.00 0.00 C ATOM 218 O SER A 17 -9.993 -1.260 8.220 1.00 0.00 O ATOM 219 CB SER A 17 -8.151 -4.105 8.239 1.00 0.00 C ATOM 220 OG SER A 17 -9.206 -4.751 7.532 1.00 0.00 O ATOM 0 H SER A 17 -6.153 -2.624 8.780 1.00 0.00 H new ATOM 0 HA SER A 17 -8.311 -2.510 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.207 -4.601 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.317 -4.208 9.311 1.00 0.00 H new ATOM 0 HG SER A 17 -9.240 -5.697 7.787 1.00 0.00 H new ATOM 226 N VAL A 18 -8.705 -1.728 10.020 1.00 0.00 N ATOM 227 CA VAL A 18 -9.536 -0.981 10.948 1.00 0.00 C ATOM 228 C VAL A 18 -9.078 0.479 10.974 1.00 0.00 C ATOM 229 O VAL A 18 -7.984 0.781 11.448 1.00 0.00 O ATOM 230 CB VAL A 18 -9.505 -1.642 12.327 1.00 0.00 C ATOM 231 CG1 VAL A 18 -10.350 -0.855 13.332 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.965 -3.099 12.247 1.00 0.00 C ATOM 0 H VAL A 18 -7.891 -2.176 10.442 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.576 -0.990 10.622 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.473 -1.635 12.678 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.311 -1.346 14.304 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.959 0.158 13.422 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.383 -0.816 12.987 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.934 -3.546 13.241 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.985 -3.138 11.864 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.305 -3.653 11.579 1.00 0.00 H new ATOM 242 N THR A 19 -9.938 1.345 10.459 1.00 0.00 N ATOM 243 CA THR A 19 -9.635 2.766 10.417 1.00 0.00 C ATOM 244 C THR A 19 -10.916 3.579 10.222 1.00 0.00 C ATOM 245 O THR A 19 -11.610 3.420 9.219 1.00 0.00 O ATOM 246 CB THR A 19 -8.596 2.995 9.318 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.604 4.407 9.122 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.038 2.429 7.967 1.00 0.00 C ATOM 0 H THR A 19 -10.845 1.090 10.067 1.00 0.00 H new ATOM 0 HA THR A 19 -9.211 3.109 11.361 1.00 0.00 H new ATOM 0 HB THR A 19 -7.651 2.538 9.611 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.957 4.644 8.426 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.265 2.618 7.223 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.199 1.355 8.058 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.966 2.910 7.657 1.00 0.00 H new ATOM 256 N GLY A 20 -11.191 4.433 11.197 1.00 0.00 N ATOM 257 CA GLY A 20 -12.377 5.271 11.145 1.00 0.00 C ATOM 258 C GLY A 20 -12.403 6.105 9.862 1.00 0.00 C ATOM 259 O GLY A 20 -13.391 6.095 9.131 1.00 0.00 O ATOM 0 H GLY A 20 -10.613 4.563 12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.270 4.648 11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.399 5.931 12.012 1.00 0.00 H new ATOM 263 N SER A 21 -11.304 6.808 9.629 1.00 0.00 N ATOM 264 CA SER A 21 -11.188 7.646 8.448 1.00 0.00 C ATOM 265 C SER A 21 -11.477 6.822 7.191 1.00 0.00 C ATOM 266 O SER A 21 -11.006 5.693 7.062 1.00 0.00 O ATOM 267 CB SER A 21 -9.799 8.281 8.358 1.00 0.00 C ATOM 268 OG SER A 21 -9.868 9.697 8.215 1.00 0.00 O ATOM 0 H SER A 21 -10.486 6.814 10.238 1.00 0.00 H new ATOM 0 HA SER A 21 -11.921 8.449 8.525 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.229 8.034 9.254 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.261 7.857 7.511 1.00 0.00 H new ATOM 0 HG SER A 21 -8.961 10.065 8.163 1.00 0.00 H new ATOM 274 N ARG A 22 -12.251 7.419 6.297 1.00 0.00 N ATOM 275 CA ARG A 22 -12.609 6.755 5.055 1.00 0.00 C ATOM 276 C ARG A 22 -11.591 7.087 3.962 1.00 0.00 C ATOM 277 O ARG A 22 -11.247 6.232 3.148 1.00 0.00 O ATOM 278 CB ARG A 22 -14.004 7.175 4.588 1.00 0.00 C ATOM 279 CG ARG A 22 -15.070 6.766 5.606 1.00 0.00 C ATOM 280 CD ARG A 22 -15.417 7.932 6.535 1.00 0.00 C ATOM 281 NE ARG A 22 -16.866 7.927 6.833 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.476 8.830 7.614 1.00 0.00 C ATOM 283 NH1 ARG A 22 -16.765 9.815 8.179 1.00 0.00 N ATOM 284 NH2 ARG A 22 -18.796 8.747 7.829 1.00 0.00 N ATOM 0 H ARG A 22 -12.640 8.355 6.408 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.609 5.681 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.032 8.255 4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.222 6.716 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.967 6.432 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.711 5.922 6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.847 7.853 7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.137 8.876 6.068 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.437 7.190 6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.760 9.878 8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.228 10.502 8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.337 7.997 7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.260 9.434 8.423 1.00 0.00 H new ATOM 298 N GLU A 23 -11.137 8.332 3.980 1.00 0.00 N ATOM 299 CA GLU A 23 -10.165 8.788 3.001 1.00 0.00 C ATOM 300 C GLU A 23 -8.985 7.816 2.931 1.00 0.00 C ATOM 301 O GLU A 23 -8.503 7.496 1.846 1.00 0.00 O ATOM 302 CB GLU A 23 -9.688 10.206 3.321 1.00 0.00 C ATOM 303 CG GLU A 23 -10.527 11.247 2.578 1.00 0.00 C ATOM 304 CD GLU A 23 -12.000 11.155 2.983 1.00 0.00 C ATOM 305 OE1 GLU A 23 -12.704 10.319 2.377 1.00 0.00 O ATOM 306 OE2 GLU A 23 -12.388 11.924 3.889 1.00 0.00 O ATOM 0 H GLU A 23 -11.424 9.039 4.657 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.648 8.814 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.752 10.381 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.640 10.312 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.148 12.246 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.432 11.096 1.503 1.00 0.00 H new ATOM 313 N ILE A 24 -8.555 7.373 4.104 1.00 0.00 N ATOM 314 CA ILE A 24 -7.441 6.444 4.189 1.00 0.00 C ATOM 315 C ILE A 24 -7.735 5.220 3.319 1.00 0.00 C ATOM 316 O ILE A 24 -7.043 4.976 2.332 1.00 0.00 O ATOM 317 CB ILE A 24 -7.140 6.101 5.650 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.549 7.306 6.385 1.00 0.00 C ATOM 319 CG2 ILE A 24 -6.237 4.870 5.749 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.540 7.075 7.897 1.00 0.00 C ATOM 0 H ILE A 24 -8.958 7.640 5.002 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.532 6.903 3.799 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.079 5.852 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.533 7.487 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.130 8.199 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.038 4.648 6.797 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.732 4.017 5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.296 5.067 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.115 7.946 8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.560 6.918 8.247 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.938 6.196 8.127 1.00 0.00 H new ATOM 332 N LYS A 25 -8.762 4.484 3.716 1.00 0.00 N ATOM 333 CA LYS A 25 -9.156 3.293 2.984 1.00 0.00 C ATOM 334 C LYS A 25 -9.103 3.580 1.483 1.00 0.00 C ATOM 335 O LYS A 25 -8.392 2.902 0.742 1.00 0.00 O ATOM 336 CB LYS A 25 -10.520 2.794 3.467 1.00 0.00 C ATOM 337 CG LYS A 25 -10.411 2.152 4.851 1.00 0.00 C ATOM 338 CD LYS A 25 -11.674 1.356 5.187 1.00 0.00 C ATOM 339 CE LYS A 25 -12.601 2.159 6.102 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.878 1.439 6.307 1.00 0.00 N ATOM 0 H LYS A 25 -9.333 4.690 4.536 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.457 2.479 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.224 3.626 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.918 2.070 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.543 1.494 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.253 2.925 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.200 1.096 4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.400 0.420 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.115 2.330 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.795 3.138 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.495 1.998 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.348 1.298 5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.689 0.515 6.745 1.00 0.00 H new ATOM 354 N SER A 26 -9.863 4.587 1.078 1.00 0.00 N ATOM 355 CA SER A 26 -9.911 4.972 -0.323 1.00 0.00 C ATOM 356 C SER A 26 -8.511 4.897 -0.934 1.00 0.00 C ATOM 357 O SER A 26 -8.295 4.187 -1.915 1.00 0.00 O ATOM 358 CB SER A 26 -10.487 6.380 -0.487 1.00 0.00 C ATOM 359 OG SER A 26 -11.670 6.383 -1.281 1.00 0.00 O ATOM 0 H SER A 26 -10.450 5.148 1.695 1.00 0.00 H new ATOM 0 HA SER A 26 -10.567 4.277 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.708 6.798 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.740 7.026 -0.947 1.00 0.00 H new ATOM 0 HG SER A 26 -12.008 7.299 -1.361 1.00 0.00 H new ATOM 365 N GLN A 27 -7.595 5.640 -0.330 1.00 0.00 N ATOM 366 CA GLN A 27 -6.221 5.666 -0.802 1.00 0.00 C ATOM 367 C GLN A 27 -5.682 4.242 -0.946 1.00 0.00 C ATOM 368 O GLN A 27 -5.066 3.907 -1.957 1.00 0.00 O ATOM 369 CB GLN A 27 -5.336 6.496 0.130 1.00 0.00 C ATOM 370 CG GLN A 27 -5.566 7.993 -0.084 1.00 0.00 C ATOM 371 CD GLN A 27 -5.320 8.777 1.207 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.632 8.332 2.111 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.919 9.963 1.242 1.00 0.00 N ATOM 0 H GLN A 27 -7.778 6.229 0.483 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.204 6.141 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.550 6.236 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.288 6.256 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.902 8.358 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.587 8.162 -0.427 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.481 10.274 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.817 10.562 2.061 1.00 0.00 H new ATOM 382 N GLN A 28 -5.933 3.442 0.079 1.00 0.00 N ATOM 383 CA GLN A 28 -5.480 2.061 0.079 1.00 0.00 C ATOM 384 C GLN A 28 -6.122 1.292 -1.077 1.00 0.00 C ATOM 385 O GLN A 28 -5.424 0.798 -1.962 1.00 0.00 O ATOM 386 CB GLN A 28 -5.780 1.386 1.419 1.00 0.00 C ATOM 387 CG GLN A 28 -5.267 2.232 2.586 1.00 0.00 C ATOM 388 CD GLN A 28 -5.346 1.456 3.903 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.413 1.417 4.687 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.510 0.843 4.100 1.00 0.00 N ATOM 0 H GLN A 28 -6.444 3.723 0.916 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.399 2.054 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.854 1.233 1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.314 0.401 1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.236 2.531 2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.855 3.147 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.250 0.917 3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.663 0.299 4.949 1.00 0.00 H new ATOM 399 N SER A 29 -7.444 1.214 -1.033 1.00 0.00 N ATOM 400 CA SER A 29 -8.187 0.514 -2.067 1.00 0.00 C ATOM 401 C SER A 29 -7.707 0.959 -3.450 1.00 0.00 C ATOM 402 O SER A 29 -7.562 0.139 -4.354 1.00 0.00 O ATOM 403 CB SER A 29 -9.691 0.755 -1.924 1.00 0.00 C ATOM 404 OG SER A 29 -10.377 -0.407 -1.466 1.00 0.00 O ATOM 0 H SER A 29 -8.020 1.624 -0.298 1.00 0.00 H new ATOM 0 HA SER A 29 -8.005 -0.555 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.862 1.575 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.102 1.063 -2.885 1.00 0.00 H new ATOM 0 HG SER A 29 -11.334 -0.212 -1.386 1.00 0.00 H new ATOM 410 N GLU A 30 -7.475 2.258 -3.570 1.00 0.00 N ATOM 411 CA GLU A 30 -7.014 2.822 -4.827 1.00 0.00 C ATOM 412 C GLU A 30 -5.652 2.236 -5.205 1.00 0.00 C ATOM 413 O GLU A 30 -5.537 1.511 -6.192 1.00 0.00 O ATOM 414 CB GLU A 30 -6.952 4.349 -4.753 1.00 0.00 C ATOM 415 CG GLU A 30 -8.074 4.984 -5.577 1.00 0.00 C ATOM 416 CD GLU A 30 -7.525 5.607 -6.862 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.809 6.624 -6.739 1.00 0.00 O ATOM 418 OE2 GLU A 30 -7.834 5.052 -7.939 1.00 0.00 O ATOM 0 H GLU A 30 -7.598 2.936 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.730 2.557 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.032 4.670 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.986 4.695 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.820 4.229 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.578 5.748 -4.985 1.00 0.00 H new ATOM 425 N VAL A 31 -4.655 2.573 -4.400 1.00 0.00 N ATOM 426 CA VAL A 31 -3.306 2.089 -4.638 1.00 0.00 C ATOM 427 C VAL A 31 -3.365 0.628 -5.091 1.00 0.00 C ATOM 428 O VAL A 31 -2.876 0.289 -6.168 1.00 0.00 O ATOM 429 CB VAL A 31 -2.449 2.292 -3.387 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.086 1.614 -3.540 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.288 3.780 -3.069 1.00 0.00 C ATOM 0 H VAL A 31 -4.754 3.175 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.832 2.659 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.964 1.823 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.497 1.774 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.227 0.545 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.562 2.040 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.675 3.897 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.806 4.281 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.269 4.223 -2.897 1.00 0.00 H new ATOM 441 N THR A 32 -3.967 -0.196 -4.247 1.00 0.00 N ATOM 442 CA THR A 32 -4.097 -1.612 -4.548 1.00 0.00 C ATOM 443 C THR A 32 -4.748 -1.809 -5.918 1.00 0.00 C ATOM 444 O THR A 32 -4.311 -2.650 -6.702 1.00 0.00 O ATOM 445 CB THR A 32 -4.873 -2.268 -3.405 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.081 -1.515 -3.328 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.210 -2.049 -2.044 1.00 0.00 C ATOM 0 H THR A 32 -4.370 0.089 -3.355 1.00 0.00 H new ATOM 0 HA THR A 32 -3.122 -2.094 -4.616 1.00 0.00 H new ATOM 0 HB THR A 32 -4.964 -3.337 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.952 -0.749 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.802 -2.535 -1.269 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.207 -2.475 -2.055 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.148 -0.981 -1.837 1.00 0.00 H new ATOM 455 N ARG A 33 -5.784 -1.020 -6.164 1.00 0.00 N ATOM 456 CA ARG A 33 -6.501 -1.097 -7.425 1.00 0.00 C ATOM 457 C ARG A 33 -5.536 -0.900 -8.597 1.00 0.00 C ATOM 458 O ARG A 33 -5.485 -1.723 -9.509 1.00 0.00 O ATOM 459 CB ARG A 33 -7.603 -0.039 -7.498 1.00 0.00 C ATOM 460 CG ARG A 33 -8.697 -0.454 -8.484 1.00 0.00 C ATOM 461 CD ARG A 33 -9.885 0.508 -8.422 1.00 0.00 C ATOM 462 NE ARG A 33 -9.776 1.517 -9.500 1.00 0.00 N ATOM 463 CZ ARG A 33 -10.448 2.676 -9.514 1.00 0.00 C ATOM 464 NH1 ARG A 33 -11.281 2.980 -8.510 1.00 0.00 N ATOM 465 NH2 ARG A 33 -10.287 3.531 -10.533 1.00 0.00 N ATOM 0 H ARG A 33 -6.144 -0.324 -5.511 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.957 -2.085 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.037 0.108 -6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.176 0.916 -7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.292 -0.472 -9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.032 -1.466 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.818 -0.046 -8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.913 1.003 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.150 1.317 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.404 2.329 -7.734 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.792 3.862 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.653 3.299 -11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.798 4.413 -10.544 1.00 0.00 H new ATOM 479 N ILE A 34 -4.795 0.197 -8.533 1.00 0.00 N ATOM 480 CA ILE A 34 -3.835 0.513 -9.577 1.00 0.00 C ATOM 481 C ILE A 34 -2.809 -0.618 -9.679 1.00 0.00 C ATOM 482 O ILE A 34 -2.509 -1.092 -10.774 1.00 0.00 O ATOM 483 CB ILE A 34 -3.211 1.888 -9.333 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.292 2.962 -9.187 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.203 2.236 -10.430 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.180 3.672 -7.836 1.00 0.00 C ATOM 0 H ILE A 34 -4.840 0.878 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.333 0.582 -10.544 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.662 1.852 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.198 3.690 -9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.278 2.506 -9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.775 3.218 -10.232 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.409 1.490 -10.444 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.707 2.248 -11.397 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.959 4.430 -7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.298 2.945 -7.032 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.202 4.147 -7.755 1.00 0.00 H new ATOM 498 N LEU A 35 -2.299 -1.018 -8.524 1.00 0.00 N ATOM 499 CA LEU A 35 -1.313 -2.084 -8.470 1.00 0.00 C ATOM 500 C LEU A 35 -1.896 -3.345 -9.110 1.00 0.00 C ATOM 501 O LEU A 35 -1.229 -4.009 -9.902 1.00 0.00 O ATOM 502 CB LEU A 35 -0.827 -2.292 -7.034 1.00 0.00 C ATOM 503 CG LEU A 35 0.115 -1.219 -6.483 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.439 -1.478 -5.010 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.379 -1.108 -7.337 1.00 0.00 C ATOM 0 H LEU A 35 -2.550 -0.623 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.428 -1.814 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.698 -2.352 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.320 -3.255 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.395 -0.257 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.110 -0.701 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.482 -1.467 -4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.920 -2.451 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.031 -0.339 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.902 -2.064 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.106 -0.842 -8.358 1.00 0.00 H new ATOM 517 N ASP A 36 -3.136 -3.637 -8.744 1.00 0.00 N ATOM 518 CA ASP A 36 -3.817 -4.807 -9.273 1.00 0.00 C ATOM 519 C ASP A 36 -3.935 -4.679 -10.793 1.00 0.00 C ATOM 520 O ASP A 36 -3.629 -5.619 -11.525 1.00 0.00 O ATOM 521 CB ASP A 36 -5.229 -4.929 -8.698 1.00 0.00 C ATOM 522 CG ASP A 36 -6.061 -6.080 -9.266 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.501 -6.829 -10.096 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.238 -6.186 -8.858 1.00 0.00 O ATOM 0 H ASP A 36 -3.687 -3.084 -8.088 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.238 -5.688 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.156 -5.052 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.760 -3.994 -8.877 1.00 0.00 H new ATOM 529 N GLY A 37 -4.378 -3.507 -11.224 1.00 0.00 N ATOM 530 CA GLY A 37 -4.541 -3.243 -12.644 1.00 0.00 C ATOM 531 C GLY A 37 -3.201 -3.344 -13.376 1.00 0.00 C ATOM 532 O GLY A 37 -3.112 -3.972 -14.431 1.00 0.00 O ATOM 0 H GLY A 37 -4.629 -2.729 -10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.248 -3.954 -13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.964 -2.249 -12.787 1.00 0.00 H new ATOM 536 N LYS A 38 -2.193 -2.717 -12.789 1.00 0.00 N ATOM 537 CA LYS A 38 -0.863 -2.728 -13.373 1.00 0.00 C ATOM 538 C LYS A 38 -0.281 -4.140 -13.279 1.00 0.00 C ATOM 539 O LYS A 38 0.755 -4.429 -13.875 1.00 0.00 O ATOM 540 CB LYS A 38 0.016 -1.657 -12.724 1.00 0.00 C ATOM 541 CG LYS A 38 -0.556 -0.258 -12.965 1.00 0.00 C ATOM 542 CD LYS A 38 0.481 0.653 -13.626 1.00 0.00 C ATOM 543 CE LYS A 38 -0.002 2.104 -13.651 1.00 0.00 C ATOM 544 NZ LYS A 38 -0.105 2.592 -15.045 1.00 0.00 N ATOM 0 H LYS A 38 -2.271 -2.198 -11.914 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.910 -2.471 -14.431 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.091 -1.843 -11.653 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.026 -1.716 -13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.441 -0.327 -13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.875 0.176 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.425 0.589 -13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.674 0.312 -14.643 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.973 2.179 -13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.688 2.733 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.434 3.579 -15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.828 2.539 -15.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.781 2.002 -15.570 1.00 0.00 H new ATOM 558 N ARG A 39 -0.974 -4.982 -12.527 1.00 0.00 N ATOM 559 CA ARG A 39 -0.539 -6.357 -12.347 1.00 0.00 C ATOM 560 C ARG A 39 0.830 -6.396 -11.665 1.00 0.00 C ATOM 561 O ARG A 39 1.674 -7.223 -12.007 1.00 0.00 O ATOM 562 CB ARG A 39 -0.454 -7.087 -13.689 1.00 0.00 C ATOM 563 CG ARG A 39 -1.848 -7.442 -14.210 1.00 0.00 C ATOM 564 CD ARG A 39 -2.236 -8.867 -13.810 1.00 0.00 C ATOM 565 NE ARG A 39 -2.416 -9.701 -15.019 1.00 0.00 N ATOM 566 CZ ARG A 39 -3.309 -9.442 -15.984 1.00 0.00 C ATOM 567 NH1 ARG A 39 -4.108 -8.371 -15.887 1.00 0.00 N ATOM 568 NH2 ARG A 39 -3.402 -10.254 -17.046 1.00 0.00 N ATOM 0 H ARG A 39 -1.834 -4.739 -12.035 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.275 -6.859 -11.719 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.061 -6.459 -14.416 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.138 -7.995 -13.576 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.579 -6.737 -13.813 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.870 -7.346 -15.296 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.464 -9.298 -13.173 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.158 -8.852 -13.228 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.823 -10.524 -15.124 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.037 -7.753 -15.079 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.788 -8.174 -16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.793 -11.069 -17.120 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.082 -10.057 -17.781 1.00 0.00 H new ATOM 582 N ILE A 40 1.007 -5.491 -10.713 1.00 0.00 N ATOM 583 CA ILE A 40 2.260 -5.412 -9.980 1.00 0.00 C ATOM 584 C ILE A 40 2.237 -6.420 -8.830 1.00 0.00 C ATOM 585 O ILE A 40 1.222 -6.571 -8.152 1.00 0.00 O ATOM 586 CB ILE A 40 2.528 -3.974 -9.533 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.895 -3.088 -10.725 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.595 -3.931 -8.437 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.981 -1.618 -10.310 1.00 0.00 C ATOM 0 H ILE A 40 0.304 -4.807 -10.432 1.00 0.00 H new ATOM 0 HA ILE A 40 3.097 -5.682 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 40 1.609 -3.573 -9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.850 -3.409 -11.140 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.150 -3.204 -11.512 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.767 -2.897 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.256 -4.507 -7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.523 -4.358 -8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.243 -1.010 -11.176 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.017 -1.294 -9.918 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.744 -1.501 -9.540 1.00 0.00 H new ATOM 601 N GLN A 41 3.368 -7.085 -8.645 1.00 0.00 N ATOM 602 CA GLN A 41 3.490 -8.074 -7.588 1.00 0.00 C ATOM 603 C GLN A 41 3.890 -7.401 -6.274 1.00 0.00 C ATOM 604 O GLN A 41 4.962 -6.806 -6.178 1.00 0.00 O ATOM 605 CB GLN A 41 4.492 -9.165 -7.972 1.00 0.00 C ATOM 606 CG GLN A 41 5.523 -9.378 -6.861 1.00 0.00 C ATOM 607 CD GLN A 41 6.329 -10.657 -7.099 1.00 0.00 C ATOM 608 OE1 GLN A 41 6.471 -11.134 -8.213 1.00 0.00 O ATOM 609 NE2 GLN A 41 6.846 -11.184 -5.992 1.00 0.00 N ATOM 0 H GLN A 41 4.208 -6.958 -9.209 1.00 0.00 H new ATOM 0 HA GLN A 41 2.519 -8.550 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.963 -10.098 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.000 -8.889 -8.896 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.197 -8.522 -6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.017 -9.436 -5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.688 -10.733 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.400 -12.039 -6.045 1.00 0.00 H new ATOM 618 N TYR A 42 3.005 -7.516 -5.294 1.00 0.00 N ATOM 619 CA TYR A 42 3.252 -6.925 -3.990 1.00 0.00 C ATOM 620 C TYR A 42 2.611 -7.760 -2.879 1.00 0.00 C ATOM 621 O TYR A 42 2.014 -8.802 -3.147 1.00 0.00 O ATOM 622 CB TYR A 42 2.593 -5.545 -4.020 1.00 0.00 C ATOM 623 CG TYR A 42 1.064 -5.588 -4.063 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.347 -5.833 -2.910 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.402 -5.380 -5.256 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.092 -5.873 -2.951 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.037 -5.420 -5.298 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.713 -5.664 -4.143 1.00 0.00 C ATOM 629 OH TYR A 42 -3.072 -5.702 -4.182 1.00 0.00 O ATOM 0 H TYR A 42 2.116 -8.010 -5.377 1.00 0.00 H new ATOM 0 HA TYR A 42 4.322 -6.872 -3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.906 -4.985 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.956 -4.999 -4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.865 -5.995 -1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.963 -5.187 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.665 -6.065 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.567 -5.260 -6.225 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.378 -5.535 -5.098 1.00 0.00 H new ATOM 639 N GLN A 43 2.756 -7.271 -1.656 1.00 0.00 N ATOM 640 CA GLN A 43 2.199 -7.959 -0.505 1.00 0.00 C ATOM 641 C GLN A 43 1.470 -6.968 0.405 1.00 0.00 C ATOM 642 O GLN A 43 2.082 -6.040 0.934 1.00 0.00 O ATOM 643 CB GLN A 43 3.286 -8.712 0.265 1.00 0.00 C ATOM 644 CG GLN A 43 2.715 -9.956 0.947 1.00 0.00 C ATOM 645 CD GLN A 43 3.833 -10.906 1.380 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.889 -10.980 0.774 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.542 -11.627 2.459 1.00 0.00 N ATOM 0 H GLN A 43 3.251 -6.406 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 43 1.478 -8.694 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.085 -9.002 -0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.729 -8.054 1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.127 -9.661 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.039 -10.471 0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.638 -11.515 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.223 -12.291 2.827 1.00 0.00 H new ATOM 656 N LEU A 44 0.175 -7.196 0.559 1.00 0.00 N ATOM 657 CA LEU A 44 -0.643 -6.334 1.396 1.00 0.00 C ATOM 658 C LEU A 44 -0.322 -6.605 2.867 1.00 0.00 C ATOM 659 O LEU A 44 -0.665 -7.661 3.396 1.00 0.00 O ATOM 660 CB LEU A 44 -2.124 -6.500 1.049 1.00 0.00 C ATOM 661 CG LEU A 44 -2.896 -5.208 0.770 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.471 -5.209 -0.648 1.00 0.00 C ATOM 663 CD2 LEU A 44 -3.978 -4.977 1.827 1.00 0.00 C ATOM 0 H LEU A 44 -0.329 -7.966 0.118 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.410 -5.286 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.202 -7.143 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.613 -7.022 1.871 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.199 -4.372 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.015 -4.280 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.659 -5.294 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.150 -6.054 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.512 -4.053 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.679 -5.812 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.515 -4.902 2.811 1.00 0.00 H new ATOM 675 N VAL A 45 0.331 -5.633 3.485 1.00 0.00 N ATOM 676 CA VAL A 45 0.702 -5.753 4.885 1.00 0.00 C ATOM 677 C VAL A 45 -0.343 -5.042 5.748 1.00 0.00 C ATOM 678 O VAL A 45 -0.587 -3.848 5.577 1.00 0.00 O ATOM 679 CB VAL A 45 2.118 -5.216 5.099 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.441 -5.098 6.590 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.150 -6.091 4.383 1.00 0.00 C ATOM 0 H VAL A 45 0.613 -4.758 3.042 1.00 0.00 H new ATOM 0 HA VAL A 45 0.716 -6.800 5.188 1.00 0.00 H new ATOM 0 HB VAL A 45 2.166 -4.217 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.454 -4.714 6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.734 -4.416 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.366 -6.080 7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.148 -5.687 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.099 -7.107 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.938 -6.102 3.314 1.00 0.00 H new ATOM 691 N ASP A 46 -0.933 -5.806 6.656 1.00 0.00 N ATOM 692 CA ASP A 46 -1.946 -5.264 7.546 1.00 0.00 C ATOM 693 C ASP A 46 -1.276 -4.752 8.823 1.00 0.00 C ATOM 694 O ASP A 46 -0.843 -5.542 9.660 1.00 0.00 O ATOM 695 CB ASP A 46 -2.962 -6.337 7.942 1.00 0.00 C ATOM 696 CG ASP A 46 -4.247 -5.807 8.580 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.673 -4.706 8.167 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.775 -6.514 9.465 1.00 0.00 O ATOM 0 H ASP A 46 -0.729 -6.796 6.794 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.459 -4.458 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.225 -6.912 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.486 -7.027 8.639 1.00 0.00 H new ATOM 703 N ILE A 47 -1.212 -3.434 8.931 1.00 0.00 N ATOM 704 CA ILE A 47 -0.602 -2.807 10.092 1.00 0.00 C ATOM 705 C ILE A 47 -1.580 -2.859 11.267 1.00 0.00 C ATOM 706 O ILE A 47 -1.193 -2.633 12.412 1.00 0.00 O ATOM 707 CB ILE A 47 -0.126 -1.394 9.750 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.311 -0.472 9.456 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.881 -1.418 8.598 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.842 0.964 9.215 1.00 0.00 C ATOM 0 H ILE A 47 -1.572 -2.782 8.234 1.00 0.00 H new ATOM 0 HA ILE A 47 0.291 -3.354 10.395 1.00 0.00 H new ATOM 0 HB ILE A 47 0.390 -0.988 10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.850 -0.834 8.580 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.010 -0.495 10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.203 -0.401 8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.745 -2.018 8.883 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.413 -1.852 7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.704 1.598 9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.325 1.332 10.101 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.162 0.987 8.363 1.00 0.00 H new ATOM 722 N SER A 48 -2.830 -3.158 10.942 1.00 0.00 N ATOM 723 CA SER A 48 -3.867 -3.242 11.957 1.00 0.00 C ATOM 724 C SER A 48 -3.761 -4.573 12.704 1.00 0.00 C ATOM 725 O SER A 48 -4.179 -4.677 13.856 1.00 0.00 O ATOM 726 CB SER A 48 -5.257 -3.090 11.337 1.00 0.00 C ATOM 727 OG SER A 48 -5.616 -4.222 10.549 1.00 0.00 O ATOM 0 H SER A 48 -3.148 -3.345 9.991 1.00 0.00 H new ATOM 0 HA SER A 48 -3.722 -2.424 12.663 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.994 -2.950 12.128 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.282 -2.194 10.717 1.00 0.00 H new ATOM 0 HG SER A 48 -5.351 -4.070 9.618 1.00 0.00 H new ATOM 733 N GLN A 49 -3.199 -5.557 12.018 1.00 0.00 N ATOM 734 CA GLN A 49 -3.033 -6.877 12.602 1.00 0.00 C ATOM 735 C GLN A 49 -2.113 -6.805 13.823 1.00 0.00 C ATOM 736 O GLN A 49 -2.417 -7.377 14.868 1.00 0.00 O ATOM 737 CB GLN A 49 -2.497 -7.870 11.570 1.00 0.00 C ATOM 738 CG GLN A 49 -3.557 -8.914 11.211 1.00 0.00 C ATOM 739 CD GLN A 49 -3.179 -10.291 11.759 1.00 0.00 C ATOM 740 OE1 GLN A 49 -2.468 -11.062 11.136 1.00 0.00 O ATOM 741 NE2 GLN A 49 -3.692 -10.556 12.957 1.00 0.00 N ATOM 0 H GLN A 49 -2.853 -5.467 11.063 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.010 -7.234 12.928 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.189 -7.335 10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.611 -8.367 11.965 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.523 -8.611 11.615 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.667 -8.968 10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.280 -9.866 13.424 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.497 -11.450 13.409 1.00 0.00 H new ATOM 750 N ASP A 50 -1.007 -6.097 13.649 1.00 0.00 N ATOM 751 CA ASP A 50 -0.041 -5.943 14.724 1.00 0.00 C ATOM 752 C ASP A 50 0.283 -4.458 14.903 1.00 0.00 C ATOM 753 O ASP A 50 0.606 -3.768 13.937 1.00 0.00 O ATOM 754 CB ASP A 50 1.263 -6.675 14.401 1.00 0.00 C ATOM 755 CG ASP A 50 1.872 -7.454 15.569 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.719 -6.975 16.713 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.479 -8.511 15.291 1.00 0.00 O ATOM 0 H ASP A 50 -0.758 -5.624 12.780 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.476 -6.363 15.631 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.080 -7.366 13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.994 -5.947 14.049 1.00 0.00 H new ATOM 762 N ASN A 51 0.185 -4.010 16.146 1.00 0.00 N ATOM 763 CA ASN A 51 0.464 -2.620 16.465 1.00 0.00 C ATOM 764 C ASN A 51 1.908 -2.293 16.080 1.00 0.00 C ATOM 765 O ASN A 51 2.197 -1.187 15.626 1.00 0.00 O ATOM 766 CB ASN A 51 0.302 -2.355 17.963 1.00 0.00 C ATOM 767 CG ASN A 51 -0.771 -1.295 18.220 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.607 -1.004 17.379 1.00 0.00 O ATOM 769 ND2 ASN A 51 -0.703 -0.737 19.425 1.00 0.00 N ATOM 0 H ASN A 51 -0.084 -4.585 16.944 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.240 -1.999 15.911 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.033 -3.280 18.473 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.252 -2.025 18.382 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.376 -0.019 19.693 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.022 -1.027 20.081 1.00 0.00 H new ATOM 776 N ALA A 52 2.776 -3.275 16.275 1.00 0.00 N ATOM 777 CA ALA A 52 4.182 -3.105 15.954 1.00 0.00 C ATOM 778 C ALA A 52 4.314 -2.550 14.534 1.00 0.00 C ATOM 779 O ALA A 52 4.957 -1.523 14.322 1.00 0.00 O ATOM 780 CB ALA A 52 4.911 -4.439 16.129 1.00 0.00 C ATOM 0 H ALA A 52 2.532 -4.191 16.651 1.00 0.00 H new ATOM 0 HA ALA A 52 4.646 -2.389 16.632 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.966 -4.311 15.888 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.813 -4.775 17.161 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.474 -5.183 15.462 1.00 0.00 H new ATOM 786 N LEU A 53 3.694 -3.254 13.599 1.00 0.00 N ATOM 787 CA LEU A 53 3.733 -2.844 12.205 1.00 0.00 C ATOM 788 C LEU A 53 3.598 -1.323 12.121 1.00 0.00 C ATOM 789 O LEU A 53 4.480 -0.646 11.595 1.00 0.00 O ATOM 790 CB LEU A 53 2.679 -3.602 11.394 1.00 0.00 C ATOM 791 CG LEU A 53 2.966 -5.083 11.139 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.668 -5.891 11.085 1.00 0.00 C ATOM 793 CD2 LEU A 53 3.810 -5.268 9.876 1.00 0.00 C ATOM 0 H LEU A 53 3.162 -4.105 13.779 1.00 0.00 H new ATOM 0 HA LEU A 53 4.693 -3.104 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.723 -3.522 11.912 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.563 -3.104 10.431 1.00 0.00 H new ATOM 0 HG LEU A 53 3.550 -5.467 11.975 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.900 -6.940 10.903 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.140 -5.796 12.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.038 -5.514 10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.000 -6.330 9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.274 -4.863 9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.758 -4.743 9.992 1.00 0.00 H new ATOM 805 N ARG A 54 2.486 -0.830 12.646 1.00 0.00 N ATOM 806 CA ARG A 54 2.224 0.599 12.637 1.00 0.00 C ATOM 807 C ARG A 54 3.516 1.378 12.894 1.00 0.00 C ATOM 808 O ARG A 54 3.800 2.359 12.210 1.00 0.00 O ATOM 809 CB ARG A 54 1.189 0.977 13.699 1.00 0.00 C ATOM 810 CG ARG A 54 0.513 2.306 13.358 1.00 0.00 C ATOM 811 CD ARG A 54 -0.916 2.349 13.903 1.00 0.00 C ATOM 812 NE ARG A 54 -1.218 3.701 14.425 1.00 0.00 N ATOM 813 CZ ARG A 54 -0.539 4.292 15.417 1.00 0.00 C ATOM 814 NH1 ARG A 54 0.486 3.655 16.000 1.00 0.00 N ATOM 815 NH2 ARG A 54 -0.884 5.521 15.825 1.00 0.00 N ATOM 0 H ARG A 54 1.756 -1.395 13.080 1.00 0.00 H new ATOM 0 HA ARG A 54 1.830 0.857 11.654 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.437 0.192 13.775 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.673 1.050 14.673 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.091 3.130 13.777 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.498 2.444 12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.623 2.088 13.115 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.034 1.610 14.695 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.992 4.215 14.003 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.749 2.720 15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.003 4.105 16.755 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.663 6.006 15.380 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.367 5.971 16.580 1.00 0.00 H new ATOM 829 N ASP A 55 4.264 0.910 13.883 1.00 0.00 N ATOM 830 CA ASP A 55 5.519 1.550 14.239 1.00 0.00 C ATOM 831 C ASP A 55 6.577 1.209 13.188 1.00 0.00 C ATOM 832 O ASP A 55 7.085 2.095 12.502 1.00 0.00 O ATOM 833 CB ASP A 55 6.024 1.056 15.596 1.00 0.00 C ATOM 834 CG ASP A 55 6.944 2.028 16.337 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.398 2.865 17.088 1.00 0.00 O ATOM 836 OD2 ASP A 55 8.172 1.912 16.135 1.00 0.00 O ATOM 0 H ASP A 55 4.025 0.096 14.449 1.00 0.00 H new ATOM 0 HA ASP A 55 5.347 2.625 14.288 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.164 0.839 16.230 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.556 0.116 15.448 1.00 0.00 H new ATOM 841 N GLU A 56 6.878 -0.078 13.094 1.00 0.00 N ATOM 842 CA GLU A 56 7.866 -0.548 12.138 1.00 0.00 C ATOM 843 C GLU A 56 7.746 0.229 10.825 1.00 0.00 C ATOM 844 O GLU A 56 8.713 0.836 10.368 1.00 0.00 O ATOM 845 CB GLU A 56 7.726 -2.053 11.899 1.00 0.00 C ATOM 846 CG GLU A 56 8.762 -2.835 12.708 1.00 0.00 C ATOM 847 CD GLU A 56 10.145 -2.746 12.060 1.00 0.00 C ATOM 848 OE1 GLU A 56 10.612 -1.602 11.872 1.00 0.00 O ATOM 849 OE2 GLU A 56 10.705 -3.825 11.767 1.00 0.00 O ATOM 0 H GLU A 56 6.455 -0.810 13.664 1.00 0.00 H new ATOM 0 HA GLU A 56 8.858 -0.370 12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.723 -2.377 12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.849 -2.269 10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.807 -2.443 13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.458 -3.879 12.782 1.00 0.00 H new ATOM 856 N MET A 57 6.550 0.185 10.256 1.00 0.00 N ATOM 857 CA MET A 57 6.291 0.878 9.005 1.00 0.00 C ATOM 858 C MET A 57 6.702 2.349 9.097 1.00 0.00 C ATOM 859 O MET A 57 7.597 2.793 8.380 1.00 0.00 O ATOM 860 CB MET A 57 4.802 0.784 8.669 1.00 0.00 C ATOM 861 CG MET A 57 4.481 1.546 7.381 1.00 0.00 C ATOM 862 SD MET A 57 2.762 2.025 7.367 1.00 0.00 S ATOM 863 CE MET A 57 2.705 3.019 8.849 1.00 0.00 C ATOM 0 H MET A 57 5.750 -0.319 10.638 1.00 0.00 H new ATOM 0 HA MET A 57 6.881 0.404 8.220 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.516 -0.262 8.558 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.214 1.190 9.492 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.114 2.430 7.305 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.700 0.921 6.515 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.888 3.737 8.775 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.544 2.375 9.713 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.648 3.553 8.965 1.00 0.00 H new ATOM 873 N ARG A 58 6.028 3.064 9.986 1.00 0.00 N ATOM 874 CA ARG A 58 6.312 4.475 10.181 1.00 0.00 C ATOM 875 C ARG A 58 7.822 4.706 10.269 1.00 0.00 C ATOM 876 O ARG A 58 8.347 5.641 9.667 1.00 0.00 O ATOM 877 CB ARG A 58 5.648 5.000 11.456 1.00 0.00 C ATOM 878 CG ARG A 58 4.308 5.666 11.142 1.00 0.00 C ATOM 879 CD ARG A 58 3.286 5.390 12.247 1.00 0.00 C ATOM 880 NE ARG A 58 3.908 5.597 13.574 1.00 0.00 N ATOM 881 CZ ARG A 58 3.218 5.835 14.697 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.880 5.899 14.662 1.00 0.00 N ATOM 883 NH2 ARG A 58 3.866 6.010 15.857 1.00 0.00 N ATOM 0 H ARG A 58 5.286 2.692 10.579 1.00 0.00 H new ATOM 0 HA ARG A 58 5.907 5.015 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.495 4.178 12.155 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.308 5.716 11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.449 6.741 11.033 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.928 5.296 10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.426 6.050 12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.916 4.368 12.165 1.00 0.00 H new ATOM 0 HE ARG A 58 4.925 5.556 13.637 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.386 5.766 13.780 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.356 6.080 15.518 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.884 5.962 15.885 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.341 6.191 16.712 1.00 0.00 H new ATOM 897 N THR A 59 8.479 3.837 11.024 1.00 0.00 N ATOM 898 CA THR A 59 9.918 3.934 11.199 1.00 0.00 C ATOM 899 C THR A 59 10.628 3.801 9.850 1.00 0.00 C ATOM 900 O THR A 59 11.530 4.578 9.541 1.00 0.00 O ATOM 901 CB THR A 59 10.343 2.874 12.216 1.00 0.00 C ATOM 902 OG1 THR A 59 10.042 3.463 13.478 1.00 0.00 O ATOM 903 CG2 THR A 59 11.859 2.671 12.252 1.00 0.00 C ATOM 0 H THR A 59 8.040 3.062 11.522 1.00 0.00 H new ATOM 0 HA THR A 59 10.205 4.911 11.588 1.00 0.00 H new ATOM 0 HB THR A 59 9.856 1.928 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.285 2.841 14.195 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.107 1.908 12.990 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.207 2.352 11.270 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.345 3.608 12.522 1.00 0.00 H new ATOM 911 N LEU A 60 10.195 2.811 9.084 1.00 0.00 N ATOM 912 CA LEU A 60 10.779 2.567 7.776 1.00 0.00 C ATOM 913 C LEU A 60 10.718 3.852 6.947 1.00 0.00 C ATOM 914 O LEU A 60 11.730 4.293 6.404 1.00 0.00 O ATOM 915 CB LEU A 60 10.105 1.369 7.103 1.00 0.00 C ATOM 916 CG LEU A 60 10.455 -0.006 7.675 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.396 -1.043 7.296 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.859 -0.437 7.247 1.00 0.00 C ATOM 0 H LEU A 60 9.447 2.168 9.344 1.00 0.00 H new ATOM 0 HA LEU A 60 11.831 2.299 7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.025 1.502 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.366 1.378 6.045 1.00 0.00 H new ATOM 0 HG LEU A 60 10.459 0.067 8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.669 -2.012 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.428 -0.736 7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.336 -1.121 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.083 -1.418 7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.908 -0.489 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.588 0.288 7.609 1.00 0.00 H new ATOM 930 N ALA A 61 9.522 4.416 6.876 1.00 0.00 N ATOM 931 CA ALA A 61 9.316 5.642 6.122 1.00 0.00 C ATOM 932 C ALA A 61 10.168 6.758 6.730 1.00 0.00 C ATOM 933 O ALA A 61 10.660 7.628 6.014 1.00 0.00 O ATOM 934 CB ALA A 61 7.826 5.988 6.107 1.00 0.00 C ATOM 0 H ALA A 61 8.685 4.047 7.328 1.00 0.00 H new ATOM 0 HA ALA A 61 9.631 5.514 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.672 6.907 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.269 5.176 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.475 6.127 7.129 1.00 0.00 H new ATOM 940 N GLY A 62 10.315 6.697 8.046 1.00 0.00 N ATOM 941 CA GLY A 62 11.099 7.691 8.758 1.00 0.00 C ATOM 942 C GLY A 62 10.204 8.807 9.303 1.00 0.00 C ATOM 943 O GLY A 62 10.647 9.945 9.453 1.00 0.00 O ATOM 0 H GLY A 62 9.904 5.974 8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.636 7.216 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.849 8.115 8.090 1.00 0.00 H new ATOM 947 N ASN A 63 8.962 8.442 9.583 1.00 0.00 N ATOM 948 CA ASN A 63 8.001 9.398 10.107 1.00 0.00 C ATOM 949 C ASN A 63 6.870 8.644 10.810 1.00 0.00 C ATOM 950 O ASN A 63 6.345 7.668 10.277 1.00 0.00 O ATOM 951 CB ASN A 63 7.385 10.233 8.983 1.00 0.00 C ATOM 952 CG ASN A 63 6.891 11.582 9.509 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.634 12.367 10.075 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.598 11.806 9.292 1.00 0.00 N ATOM 0 H ASN A 63 8.599 7.497 9.457 1.00 0.00 H new ATOM 0 HA ASN A 63 8.524 10.057 10.800 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.124 10.393 8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.555 9.688 8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.172 12.678 9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.033 11.106 8.812 1.00 0.00 H new ATOM 961 N PRO A 64 6.519 9.139 12.027 1.00 0.00 N ATOM 962 CA PRO A 64 5.460 8.524 12.809 1.00 0.00 C ATOM 963 C PRO A 64 4.085 8.867 12.234 1.00 0.00 C ATOM 964 O PRO A 64 3.129 8.112 12.409 1.00 0.00 O ATOM 965 CB PRO A 64 5.661 9.045 14.222 1.00 0.00 C ATOM 966 CG PRO A 64 6.529 10.285 14.090 1.00 0.00 C ATOM 967 CD PRO A 64 7.119 10.294 12.689 1.00 0.00 C ATOM 0 HA PRO A 64 5.502 7.435 12.792 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.706 9.285 14.689 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.143 8.296 14.850 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.938 11.185 14.261 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.322 10.277 14.838 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.880 11.219 12.165 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.206 10.214 12.716 1.00 0.00 H new ATOM 975 N LYS A 65 4.028 10.006 11.560 1.00 0.00 N ATOM 976 CA LYS A 65 2.785 10.458 10.958 1.00 0.00 C ATOM 977 C LYS A 65 2.713 9.963 9.512 1.00 0.00 C ATOM 978 O LYS A 65 2.154 10.638 8.649 1.00 0.00 O ATOM 979 CB LYS A 65 2.644 11.975 11.097 1.00 0.00 C ATOM 980 CG LYS A 65 2.011 12.347 12.440 1.00 0.00 C ATOM 981 CD LYS A 65 0.595 12.893 12.246 1.00 0.00 C ATOM 982 CE LYS A 65 -0.421 11.755 12.135 1.00 0.00 C ATOM 983 NZ LYS A 65 -1.511 12.123 11.204 1.00 0.00 N ATOM 0 H LYS A 65 4.822 10.630 11.417 1.00 0.00 H new ATOM 0 HA LYS A 65 1.930 10.032 11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.624 12.444 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.032 12.363 10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.981 11.470 13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.627 13.093 12.942 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.333 13.539 13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.558 13.507 11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.075 10.850 11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.835 11.531 13.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.192 11.340 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.994 12.974 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.113 12.314 10.262 1.00 0.00 H new ATOM 997 N ALA A 66 3.287 8.790 9.293 1.00 0.00 N ATOM 998 CA ALA A 66 3.296 8.197 7.967 1.00 0.00 C ATOM 999 C ALA A 66 2.125 7.220 7.842 1.00 0.00 C ATOM 1000 O ALA A 66 2.323 6.006 7.838 1.00 0.00 O ATOM 1001 CB ALA A 66 4.647 7.523 7.717 1.00 0.00 C ATOM 0 H ALA A 66 3.750 8.234 10.012 1.00 0.00 H new ATOM 0 HA ALA A 66 3.169 8.964 7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.653 7.078 6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.442 8.265 7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.809 6.745 8.463 1.00 0.00 H new ATOM 1007 N THR A 67 0.931 7.786 7.744 1.00 0.00 N ATOM 1008 CA THR A 67 -0.271 6.979 7.619 1.00 0.00 C ATOM 1009 C THR A 67 -0.306 6.279 6.259 1.00 0.00 C ATOM 1010 O THR A 67 0.388 6.687 5.329 1.00 0.00 O ATOM 1011 CB THR A 67 -1.477 7.888 7.866 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.364 8.895 6.865 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.370 8.658 9.184 1.00 0.00 C ATOM 0 H THR A 67 0.770 8.793 7.749 1.00 0.00 H new ATOM 0 HA THR A 67 -0.290 6.180 8.360 1.00 0.00 H new ATOM 0 HB THR A 67 -2.388 7.289 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.108 9.527 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.251 9.288 9.310 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.306 7.953 10.013 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.477 9.283 9.169 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.143 5.210 6.184 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.277 4.450 4.954 1.00 0.00 C ATOM 1023 C PRO A 68 -2.109 5.217 3.923 1.00 0.00 C ATOM 1024 O PRO A 68 -2.757 6.207 4.257 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.915 3.135 5.371 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.537 3.388 6.735 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.980 4.699 7.265 1.00 0.00 C ATOM 0 HA PRO A 68 -0.320 4.275 4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.670 2.821 4.650 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.172 2.339 5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.623 3.439 6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.305 2.571 7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.779 5.398 7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.400 4.544 8.175 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.062 4.717 2.659 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.269 3.539 2.350 1.00 0.00 C ATOM 1037 C PRO A 69 0.223 3.878 2.308 1.00 0.00 C ATOM 1038 O PRO A 69 0.602 5.042 2.429 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.803 3.045 1.015 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.551 4.219 0.405 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.759 5.257 1.496 1.00 0.00 C ATOM 0 HA PRO A 69 -1.354 2.763 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.990 2.720 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.464 2.189 1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.984 4.644 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.509 3.893 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.352 6.225 1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.819 5.407 1.704 1.00 0.00 H new ATOM 1049 N GLN A 70 1.028 2.840 2.137 1.00 0.00 N ATOM 1050 CA GLN A 70 2.470 3.013 2.078 1.00 0.00 C ATOM 1051 C GLN A 70 3.103 1.905 1.235 1.00 0.00 C ATOM 1052 O GLN A 70 3.072 0.735 1.615 1.00 0.00 O ATOM 1053 CB GLN A 70 3.075 3.047 3.483 1.00 0.00 C ATOM 1054 CG GLN A 70 3.762 4.388 3.751 1.00 0.00 C ATOM 1055 CD GLN A 70 2.924 5.253 4.695 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.091 4.772 5.445 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.191 6.554 4.616 1.00 0.00 N ATOM 0 H GLN A 70 0.710 1.876 2.037 1.00 0.00 H new ATOM 0 HA GLN A 70 2.683 3.971 1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.293 2.880 4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.796 2.237 3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.746 4.216 4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.918 4.916 2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.901 6.890 3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.685 7.215 5.206 1.00 0.00 H new ATOM 1066 N ILE A 71 3.664 2.312 0.106 1.00 0.00 N ATOM 1067 CA ILE A 71 4.304 1.368 -0.795 1.00 0.00 C ATOM 1068 C ILE A 71 5.771 1.201 -0.394 1.00 0.00 C ATOM 1069 O ILE A 71 6.471 2.186 -0.162 1.00 0.00 O ATOM 1070 CB ILE A 71 4.110 1.800 -2.250 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.632 2.054 -2.554 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.725 0.781 -3.211 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.285 3.535 -2.387 1.00 0.00 C ATOM 0 H ILE A 71 3.689 3.283 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 71 3.837 0.387 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 71 4.637 2.743 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.407 1.736 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.012 1.454 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.573 1.112 -4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.793 0.692 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.248 -0.188 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.229 3.689 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.489 3.843 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.890 4.130 -3.071 1.00 0.00 H new ATOM 1085 N VAL A 72 6.194 -0.052 -0.324 1.00 0.00 N ATOM 1086 CA VAL A 72 7.565 -0.361 0.045 1.00 0.00 C ATOM 1087 C VAL A 72 8.120 -1.418 -0.911 1.00 0.00 C ATOM 1088 O VAL A 72 7.411 -2.347 -1.294 1.00 0.00 O ATOM 1089 CB VAL A 72 7.628 -0.789 1.513 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.069 -0.778 2.025 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.730 0.095 2.381 1.00 0.00 C ATOM 0 H VAL A 72 5.611 -0.866 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 72 8.195 0.524 -0.049 1.00 0.00 H new ATOM 0 HB VAL A 72 7.256 -1.811 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.086 -1.086 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.671 -1.468 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.479 0.228 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.793 -0.231 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.057 1.132 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.699 0.014 2.038 1.00 0.00 H new ATOM 1101 N ASN A 73 9.384 -1.241 -1.268 1.00 0.00 N ATOM 1102 CA ASN A 73 10.043 -2.169 -2.172 1.00 0.00 C ATOM 1103 C ASN A 73 11.172 -2.884 -1.428 1.00 0.00 C ATOM 1104 O ASN A 73 12.221 -2.296 -1.170 1.00 0.00 O ATOM 1105 CB ASN A 73 10.656 -1.433 -3.365 1.00 0.00 C ATOM 1106 CG ASN A 73 10.808 -2.368 -4.567 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.438 -3.411 -4.499 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.197 -1.939 -5.667 1.00 0.00 N ATOM 0 H ASN A 73 9.969 -0.469 -0.948 1.00 0.00 H new ATOM 0 HA ASN A 73 9.297 -2.879 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.027 -0.585 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.630 -1.031 -3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.239 -2.493 -6.523 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.686 -1.056 -5.655 1.00 0.00 H new ATOM 1115 N GLY A 74 10.918 -4.144 -1.103 1.00 0.00 N ATOM 1116 CA GLY A 74 11.900 -4.946 -0.394 1.00 0.00 C ATOM 1117 C GLY A 74 12.296 -4.285 0.928 1.00 0.00 C ATOM 1118 O GLY A 74 11.727 -4.592 1.975 1.00 0.00 O ATOM 0 H GLY A 74 10.046 -4.628 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.493 -5.939 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.784 -5.080 -1.017 1.00 0.00 H new ATOM 1122 N ASN A 75 13.268 -3.390 0.837 1.00 0.00 N ATOM 1123 CA ASN A 75 13.747 -2.683 2.013 1.00 0.00 C ATOM 1124 C ASN A 75 13.797 -1.183 1.716 1.00 0.00 C ATOM 1125 O ASN A 75 14.307 -0.404 2.520 1.00 0.00 O ATOM 1126 CB ASN A 75 15.158 -3.137 2.392 1.00 0.00 C ATOM 1127 CG ASN A 75 16.106 -3.039 1.195 1.00 0.00 C ATOM 1128 OD1 ASN A 75 16.739 -2.025 0.953 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.168 -4.147 0.462 1.00 0.00 N ATOM 0 H ASN A 75 13.737 -3.138 -0.033 1.00 0.00 H new ATOM 0 HA ASN A 75 13.066 -2.898 2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.534 -2.522 3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.128 -4.165 2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.773 -4.182 -0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.611 -4.961 0.721 1.00 0.00 H new ATOM 1136 N HIS A 76 13.261 -0.823 0.559 1.00 0.00 N ATOM 1137 CA HIS A 76 13.238 0.569 0.146 1.00 0.00 C ATOM 1138 C HIS A 76 11.860 1.168 0.434 1.00 0.00 C ATOM 1139 O HIS A 76 10.863 0.448 0.475 1.00 0.00 O ATOM 1140 CB HIS A 76 13.649 0.708 -1.322 1.00 0.00 C ATOM 1141 CG HIS A 76 14.956 0.031 -1.660 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.179 0.491 -1.204 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.217 -1.076 -2.413 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.127 -0.310 -1.668 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.529 -1.280 -2.417 1.00 0.00 N ATOM 0 H HIS A 76 12.839 -1.472 -0.105 1.00 0.00 H new ATOM 0 HA HIS A 76 13.970 1.134 0.723 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.862 0.290 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.726 1.767 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.482 -1.683 -2.920 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.187 -0.212 -1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.011 -2.038 -2.901 1.00 0.00 H new ATOM 1153 N TYR A 77 11.848 2.478 0.627 1.00 0.00 N ATOM 1154 CA TYR A 77 10.608 3.182 0.910 1.00 0.00 C ATOM 1155 C TYR A 77 10.175 4.033 -0.285 1.00 0.00 C ATOM 1156 O TYR A 77 10.760 5.084 -0.547 1.00 0.00 O ATOM 1157 CB TYR A 77 10.907 4.102 2.095 1.00 0.00 C ATOM 1158 CG TYR A 77 9.809 5.130 2.378 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.485 4.741 2.382 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.143 6.445 2.628 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.452 5.708 2.648 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.110 7.412 2.893 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.816 6.996 2.890 1.00 0.00 C ATOM 1164 OH TYR A 77 6.840 7.910 3.141 1.00 0.00 O ATOM 0 H TYR A 77 12.677 3.071 0.593 1.00 0.00 H new ATOM 0 HA TYR A 77 9.805 2.476 1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.058 3.492 2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.843 4.628 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.224 3.712 2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.179 6.749 2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.412 5.417 2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.358 8.445 3.090 1.00 0.00 H new ATOM 0 HH TYR A 77 7.246 8.788 3.297 1.00 0.00 H new ATOM 1174 N CYS A 78 9.155 3.549 -0.978 1.00 0.00 N ATOM 1175 CA CYS A 78 8.637 4.252 -2.138 1.00 0.00 C ATOM 1176 C CYS A 78 8.045 5.583 -1.669 1.00 0.00 C ATOM 1177 O CYS A 78 8.625 6.642 -1.903 1.00 0.00 O ATOM 1178 CB CYS A 78 7.613 3.409 -2.901 1.00 0.00 C ATOM 1179 SG CYS A 78 8.269 1.722 -3.171 1.00 0.00 S ATOM 0 H CYS A 78 8.673 2.677 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 78 9.447 4.444 -2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.680 3.360 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.385 3.877 -3.859 1.00 0.00 H new ATOM 0 HG CYS A 78 9.088 1.731 -4.181 1.00 0.00 H new ATOM 1185 N GLY A 79 6.897 5.485 -1.016 1.00 0.00 N ATOM 1186 CA GLY A 79 6.219 6.668 -0.511 1.00 0.00 C ATOM 1187 C GLY A 79 4.777 6.346 -0.116 1.00 0.00 C ATOM 1188 O GLY A 79 4.450 5.197 0.176 1.00 0.00 O ATOM 0 H GLY A 79 6.418 4.605 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.757 7.060 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.226 7.448 -1.272 1.00 0.00 H new ATOM 1192 N ASP A 80 3.951 7.383 -0.120 1.00 0.00 N ATOM 1193 CA ASP A 80 2.551 7.226 0.235 1.00 0.00 C ATOM 1194 C ASP A 80 1.692 7.358 -1.025 1.00 0.00 C ATOM 1195 O ASP A 80 2.216 7.563 -2.119 1.00 0.00 O ATOM 1196 CB ASP A 80 2.109 8.306 1.224 1.00 0.00 C ATOM 1197 CG ASP A 80 2.208 9.741 0.702 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.224 10.032 0.034 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.266 10.513 0.983 1.00 0.00 O ATOM 0 H ASP A 80 4.225 8.335 -0.364 1.00 0.00 H new ATOM 0 HA ASP A 80 2.427 6.245 0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.076 8.111 1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.715 8.221 2.126 1.00 0.00 H new ATOM 1204 N TYR A 81 0.388 7.235 -0.828 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.548 7.338 -1.935 1.00 0.00 C ATOM 1206 C TYR A 81 -0.236 8.557 -2.805 1.00 0.00 C ATOM 1207 O TYR A 81 -0.368 8.502 -4.027 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.930 7.518 -1.303 1.00 0.00 C ATOM 1209 CG TYR A 81 -3.045 7.795 -2.313 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.176 9.051 -2.870 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.920 6.788 -2.668 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.225 9.311 -3.821 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.970 7.048 -3.619 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.071 8.297 -4.148 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.062 8.543 -5.047 1.00 0.00 O ATOM 0 H TYR A 81 -0.043 7.065 0.081 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.490 6.454 -2.570 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.180 6.620 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.887 8.341 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.491 9.839 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.817 5.805 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.338 10.289 -4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.661 6.269 -3.905 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.066 7.840 -5.730 1.00 0.00 H new ATOM 1225 N GLU A 82 0.172 9.629 -2.142 1.00 0.00 N ATOM 1226 CA GLU A 82 0.504 10.860 -2.840 1.00 0.00 C ATOM 1227 C GLU A 82 1.563 10.593 -3.912 1.00 0.00 C ATOM 1228 O GLU A 82 1.268 10.639 -5.105 1.00 0.00 O ATOM 1229 CB GLU A 82 0.975 11.936 -1.860 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.192 12.465 -1.024 1.00 0.00 C ATOM 1231 CD GLU A 82 0.145 13.826 -0.411 1.00 0.00 C ATOM 1232 OE1 GLU A 82 1.099 13.864 0.396 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.559 14.797 -0.762 1.00 0.00 O ATOM 0 H GLU A 82 0.280 9.671 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.396 11.231 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.741 11.524 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.435 12.757 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.081 12.554 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.429 11.754 -0.232 1.00 0.00 H new ATOM 1240 N LEU A 83 2.773 10.320 -3.447 1.00 0.00 N ATOM 1241 CA LEU A 83 3.877 10.045 -4.351 1.00 0.00 C ATOM 1242 C LEU A 83 3.400 9.110 -5.464 1.00 0.00 C ATOM 1243 O LEU A 83 3.676 9.345 -6.639 1.00 0.00 O ATOM 1244 CB LEU A 83 5.085 9.514 -3.577 1.00 0.00 C ATOM 1245 CG LEU A 83 6.374 10.328 -3.703 1.00 0.00 C ATOM 1246 CD1 LEU A 83 7.382 9.930 -2.623 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.964 10.207 -5.109 1.00 0.00 C ATOM 0 H LEU A 83 3.013 10.283 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 83 4.214 10.964 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.818 9.455 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.287 8.497 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 83 6.131 11.379 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.289 10.524 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.950 10.110 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.626 8.872 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.880 10.795 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.189 9.162 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.244 10.578 -5.839 1.00 0.00 H new ATOM 1259 N PHE A 84 2.691 8.068 -5.053 1.00 0.00 N ATOM 1260 CA PHE A 84 2.173 7.095 -6.000 1.00 0.00 C ATOM 1261 C PHE A 84 1.358 7.781 -7.099 1.00 0.00 C ATOM 1262 O PHE A 84 1.618 7.584 -8.285 1.00 0.00 O ATOM 1263 CB PHE A 84 1.259 6.151 -5.217 1.00 0.00 C ATOM 1264 CG PHE A 84 1.034 4.798 -5.895 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.970 3.818 -5.783 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.102 4.576 -6.609 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.761 2.562 -6.412 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.311 3.320 -7.238 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.626 2.340 -7.126 1.00 0.00 C ATOM 0 H PHE A 84 2.463 7.877 -4.077 1.00 0.00 H new ATOM 0 HA PHE A 84 2.997 6.562 -6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.687 5.984 -4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.294 6.636 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.872 3.995 -5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.845 5.355 -6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.504 1.783 -6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.213 3.143 -7.805 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.468 1.385 -7.605 1.00 0.00 H new ATOM 1279 N VAL A 85 0.387 8.571 -6.665 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.469 9.286 -7.596 1.00 0.00 C ATOM 1281 C VAL A 85 0.395 10.170 -8.499 1.00 0.00 C ATOM 1282 O VAL A 85 0.222 10.177 -9.717 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.534 10.074 -6.830 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.193 11.565 -6.794 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.923 9.843 -7.429 1.00 0.00 C ATOM 0 H VAL A 85 0.174 8.732 -5.680 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.003 8.586 -8.239 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.547 9.709 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.966 12.102 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.232 11.707 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.138 11.950 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.661 10.414 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.929 10.168 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.169 8.782 -7.378 1.00 0.00 H new ATOM 1295 N GLU A 86 1.306 10.896 -7.866 1.00 0.00 N ATOM 1296 CA GLU A 86 2.196 11.781 -8.596 1.00 0.00 C ATOM 1297 C GLU A 86 2.868 11.028 -9.746 1.00 0.00 C ATOM 1298 O GLU A 86 2.873 11.499 -10.883 1.00 0.00 O ATOM 1299 CB GLU A 86 3.239 12.402 -7.664 1.00 0.00 C ATOM 1300 CG GLU A 86 2.817 13.806 -7.228 1.00 0.00 C ATOM 1301 CD GLU A 86 3.079 14.019 -5.735 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.274 14.062 -5.369 1.00 0.00 O ATOM 1303 OE2 GLU A 86 2.079 14.133 -4.994 1.00 0.00 O ATOM 0 H GLU A 86 1.446 10.889 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 86 1.603 12.593 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.371 11.769 -6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.203 12.449 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.364 14.550 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.758 13.953 -7.440 1.00 0.00 H new ATOM 1310 N ALA A 87 3.420 9.871 -9.411 1.00 0.00 N ATOM 1311 CA ALA A 87 4.093 9.048 -10.402 1.00 0.00 C ATOM 1312 C ALA A 87 3.052 8.420 -11.329 1.00 0.00 C ATOM 1313 O ALA A 87 3.085 8.632 -12.541 1.00 0.00 O ATOM 1314 CB ALA A 87 4.953 7.999 -9.694 1.00 0.00 C ATOM 0 H ALA A 87 3.415 9.484 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 87 4.758 9.654 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.458 7.381 -10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.696 8.498 -9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.319 7.370 -9.069 1.00 0.00 H new ATOM 1320 N VAL A 88 2.151 7.659 -10.726 1.00 0.00 N ATOM 1321 CA VAL A 88 1.101 6.998 -11.483 1.00 0.00 C ATOM 1322 C VAL A 88 0.547 7.966 -12.531 1.00 0.00 C ATOM 1323 O VAL A 88 0.564 7.669 -13.724 1.00 0.00 O ATOM 1324 CB VAL A 88 0.026 6.466 -10.533 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.282 6.197 -11.280 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.510 5.210 -9.805 1.00 0.00 C ATOM 0 H VAL A 88 2.126 7.485 -9.721 1.00 0.00 H new ATOM 0 HA VAL A 88 1.500 6.135 -12.016 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.168 7.234 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.029 5.820 -10.582 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.641 7.123 -11.730 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.109 5.457 -12.061 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.273 4.853 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.746 4.435 -10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.402 5.447 -9.225 1.00 0.00 H new ATOM 1336 N GLU A 89 0.070 9.103 -12.046 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.487 10.116 -12.926 1.00 0.00 C ATOM 1338 C GLU A 89 0.560 10.570 -13.944 1.00 0.00 C ATOM 1339 O GLU A 89 0.255 10.732 -15.124 1.00 0.00 O ATOM 1340 CB GLU A 89 -1.023 11.303 -12.124 1.00 0.00 C ATOM 1341 CG GLU A 89 -2.189 10.879 -11.228 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.446 11.693 -11.543 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.279 12.873 -11.917 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -4.546 11.116 -11.401 1.00 0.00 O ATOM 0 H GLU A 89 0.058 9.345 -11.055 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.325 9.677 -13.468 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.224 11.724 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.350 12.088 -12.805 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.394 9.818 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.916 11.015 -10.181 1.00 0.00 H new ATOM 1351 N GLN A 90 1.775 10.762 -13.450 1.00 0.00 N ATOM 1352 CA GLN A 90 2.870 11.194 -14.302 1.00 0.00 C ATOM 1353 C GLN A 90 3.320 10.047 -15.209 1.00 0.00 C ATOM 1354 O GLN A 90 4.187 10.230 -16.062 1.00 0.00 O ATOM 1355 CB GLN A 90 4.037 11.724 -13.468 1.00 0.00 C ATOM 1356 CG GLN A 90 3.741 13.130 -12.941 1.00 0.00 C ATOM 1357 CD GLN A 90 3.742 14.153 -14.079 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.770 14.497 -14.638 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.535 14.618 -14.389 1.00 0.00 N ATOM 0 H GLN A 90 2.025 10.626 -12.470 1.00 0.00 H new ATOM 0 HA GLN A 90 2.516 12.011 -14.931 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.226 11.051 -12.632 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.943 11.742 -14.074 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.773 13.138 -12.440 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.487 13.408 -12.197 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.715 14.287 -13.880 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.429 15.305 -15.135 1.00 0.00 H new ATOM 1368 N ASP A 91 2.711 8.890 -14.995 1.00 0.00 N ATOM 1369 CA ASP A 91 3.039 7.714 -15.783 1.00 0.00 C ATOM 1370 C ASP A 91 4.499 7.331 -15.535 1.00 0.00 C ATOM 1371 O ASP A 91 5.164 6.799 -16.423 1.00 0.00 O ATOM 1372 CB ASP A 91 2.869 7.989 -17.278 1.00 0.00 C ATOM 1373 CG ASP A 91 1.473 8.457 -17.695 1.00 0.00 C ATOM 1374 OD1 ASP A 91 0.561 8.349 -16.847 1.00 0.00 O ATOM 1375 OD2 ASP A 91 1.350 8.912 -18.853 1.00 0.00 O ATOM 0 H ASP A 91 1.992 8.742 -14.287 1.00 0.00 H new ATOM 0 HA ASP A 91 2.366 6.909 -15.486 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.594 8.746 -17.578 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.111 7.080 -17.829 1.00 0.00 H new ATOM 1380 N THR A 92 4.955 7.615 -14.324 1.00 0.00 N ATOM 1381 CA THR A 92 6.325 7.307 -13.949 1.00 0.00 C ATOM 1382 C THR A 92 6.349 6.416 -12.706 1.00 0.00 C ATOM 1383 O THR A 92 7.328 6.410 -11.960 1.00 0.00 O ATOM 1384 CB THR A 92 7.074 8.628 -13.765 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.166 9.442 -13.027 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.264 9.382 -15.082 1.00 0.00 C ATOM 0 H THR A 92 4.400 8.055 -13.590 1.00 0.00 H new ATOM 0 HA THR A 92 6.830 6.737 -14.729 1.00 0.00 H new ATOM 0 HB THR A 92 8.047 8.433 -13.315 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.572 10.318 -12.862 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.801 10.312 -14.895 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.837 8.766 -15.775 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.290 9.607 -15.516 1.00 0.00 H new ATOM 1394 N LEU A 93 5.260 5.684 -12.520 1.00 0.00 N ATOM 1395 CA LEU A 93 5.145 4.791 -11.379 1.00 0.00 C ATOM 1396 C LEU A 93 6.348 3.846 -11.352 1.00 0.00 C ATOM 1397 O LEU A 93 6.835 3.486 -10.282 1.00 0.00 O ATOM 1398 CB LEU A 93 3.796 4.068 -11.399 1.00 0.00 C ATOM 1399 CG LEU A 93 3.550 3.076 -10.261 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.560 3.784 -8.905 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.257 2.291 -10.489 1.00 0.00 C ATOM 0 H LEU A 93 4.450 5.691 -13.140 1.00 0.00 H new ATOM 0 HA LEU A 93 5.164 5.358 -10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.004 4.817 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.706 3.535 -12.345 1.00 0.00 H new ATOM 0 HG LEU A 93 4.367 2.355 -10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.383 3.056 -8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.528 4.260 -8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.776 4.541 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.105 1.593 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.416 2.982 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.327 1.738 -11.426 1.00 0.00 H new ATOM 1413 N GLN A 94 6.793 3.472 -12.543 1.00 0.00 N ATOM 1414 CA GLN A 94 7.930 2.576 -12.669 1.00 0.00 C ATOM 1415 C GLN A 94 9.186 3.227 -12.086 1.00 0.00 C ATOM 1416 O GLN A 94 10.049 2.541 -11.540 1.00 0.00 O ATOM 1417 CB GLN A 94 8.150 2.171 -14.128 1.00 0.00 C ATOM 1418 CG GLN A 94 7.156 1.088 -14.552 1.00 0.00 C ATOM 1419 CD GLN A 94 6.710 1.290 -16.002 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.157 2.188 -16.696 1.00 0.00 O ATOM 1421 NE2 GLN A 94 5.808 0.406 -16.418 1.00 0.00 N ATOM 0 H GLN A 94 6.387 3.773 -13.429 1.00 0.00 H new ATOM 0 HA GLN A 94 7.718 1.669 -12.102 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.039 3.043 -14.772 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.169 1.806 -14.258 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.615 0.105 -14.442 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.287 1.109 -13.894 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.476 -0.321 -15.784 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.448 0.455 -17.371 1.00 0.00 H new ATOM 1430 N GLU A 95 9.249 4.544 -12.222 1.00 0.00 N ATOM 1431 CA GLU A 95 10.385 5.295 -11.715 1.00 0.00 C ATOM 1432 C GLU A 95 10.284 5.449 -10.196 1.00 0.00 C ATOM 1433 O GLU A 95 11.220 5.115 -9.471 1.00 0.00 O ATOM 1434 CB GLU A 95 10.489 6.660 -12.399 1.00 0.00 C ATOM 1435 CG GLU A 95 11.859 7.294 -12.152 1.00 0.00 C ATOM 1436 CD GLU A 95 12.456 7.833 -13.454 1.00 0.00 C ATOM 1437 OE1 GLU A 95 11.966 8.889 -13.909 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.389 7.176 -13.965 1.00 0.00 O ATOM 0 H GLU A 95 8.532 5.110 -12.676 1.00 0.00 H new ATOM 0 HA GLU A 95 11.295 4.740 -11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.324 6.547 -13.471 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.706 7.319 -12.024 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.764 8.104 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.533 6.556 -11.717 1.00 0.00 H new ATOM 1445 N PHE A 96 9.140 5.956 -9.759 1.00 0.00 N ATOM 1446 CA PHE A 96 8.905 6.158 -8.340 1.00 0.00 C ATOM 1447 C PHE A 96 9.341 4.934 -7.532 1.00 0.00 C ATOM 1448 O PHE A 96 10.175 5.044 -6.634 1.00 0.00 O ATOM 1449 CB PHE A 96 7.400 6.363 -8.160 1.00 0.00 C ATOM 1450 CG PHE A 96 6.936 6.327 -6.703 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.535 7.125 -5.778 1.00 0.00 C ATOM 1452 CD2 PHE A 96 5.926 5.496 -6.331 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.105 7.091 -4.426 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.496 5.462 -4.978 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.094 6.260 -4.054 1.00 0.00 C ATOM 0 H PHE A 96 8.366 6.233 -10.363 1.00 0.00 H new ATOM 0 HA PHE A 96 9.477 7.016 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.120 7.322 -8.596 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.870 5.592 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.338 7.784 -6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.451 4.862 -7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.580 7.725 -3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.694 4.802 -4.683 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.767 6.234 -3.025 1.00 0.00 H new ATOM 1465 N LEU A 97 8.758 3.797 -7.880 1.00 0.00 N ATOM 1466 CA LEU A 97 9.076 2.554 -7.198 1.00 0.00 C ATOM 1467 C LEU A 97 10.553 2.220 -7.417 1.00 0.00 C ATOM 1468 O LEU A 97 11.364 3.112 -7.661 1.00 0.00 O ATOM 1469 CB LEU A 97 8.122 1.442 -7.640 1.00 0.00 C ATOM 1470 CG LEU A 97 6.632 1.786 -7.614 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.801 0.677 -8.263 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.165 2.094 -6.189 1.00 0.00 C ATOM 0 H LEU A 97 8.067 3.710 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 97 8.929 2.661 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.388 1.144 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.285 0.575 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 97 6.480 2.689 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.745 0.947 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.112 0.549 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.953 -0.256 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.102 2.335 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.334 1.224 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.726 2.942 -5.798 1.00 0.00 H new ATOM 1484 N LYS A 98 10.857 0.934 -7.320 1.00 0.00 N ATOM 1485 CA LYS A 98 12.222 0.472 -7.505 1.00 0.00 C ATOM 1486 C LYS A 98 12.276 -0.481 -8.701 1.00 0.00 C ATOM 1487 O LYS A 98 12.954 -1.506 -8.652 1.00 0.00 O ATOM 1488 CB LYS A 98 12.761 -0.137 -6.209 1.00 0.00 C ATOM 1489 CG LYS A 98 13.661 0.856 -5.470 1.00 0.00 C ATOM 1490 CD LYS A 98 12.834 1.967 -4.819 1.00 0.00 C ATOM 1491 CE LYS A 98 13.720 3.148 -4.420 1.00 0.00 C ATOM 1492 NZ LYS A 98 13.004 4.427 -4.627 1.00 0.00 N ATOM 0 H LYS A 98 10.181 0.198 -7.116 1.00 0.00 H new ATOM 0 HA LYS A 98 12.880 1.310 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.930 -0.428 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.322 -1.044 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.237 0.332 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.377 1.292 -6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.063 2.304 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.324 1.577 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.013 3.054 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.637 3.138 -5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.620 5.218 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.746 4.522 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.142 4.440 -4.045 1.00 0.00 H new ATOM 1506 N LEU A 99 11.553 -0.108 -9.746 1.00 0.00 N ATOM 1507 CA LEU A 99 11.510 -0.917 -10.953 1.00 0.00 C ATOM 1508 C LEU A 99 12.550 -0.397 -11.947 1.00 0.00 C ATOM 1509 O LEU A 99 13.329 -1.173 -12.499 1.00 0.00 O ATOM 1510 CB LEU A 99 10.089 -0.962 -11.517 1.00 0.00 C ATOM 1511 CG LEU A 99 9.113 -1.900 -10.803 1.00 0.00 C ATOM 1512 CD1 LEU A 99 8.571 -1.257 -9.525 1.00 0.00 C ATOM 1513 CD2 LEU A 99 7.989 -2.342 -11.743 1.00 0.00 C ATOM 0 H LEU A 99 10.992 0.743 -9.783 1.00 0.00 H new ATOM 0 HA LEU A 99 11.772 -1.951 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.677 0.047 -11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.144 -1.257 -12.565 1.00 0.00 H new ATOM 0 HG LEU A 99 9.657 -2.797 -10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.880 -1.944 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.398 -1.034 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.048 -0.334 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.310 -3.008 -11.210 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.440 -1.467 -12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.415 -2.867 -12.598 1.00 0.00 H new ATOM 1525 N ALA A 100 12.529 0.913 -12.146 1.00 0.00 N ATOM 1526 CA ALA A 100 13.461 1.545 -13.064 1.00 0.00 C ATOM 1527 C ALA A 100 14.454 2.396 -12.270 1.00 0.00 C ATOM 1528 O ALA A 100 14.072 3.080 -11.322 1.00 0.00 O ATOM 1529 CB ALA A 100 12.684 2.366 -14.095 1.00 0.00 C ATOM 0 H ALA A 100 11.881 1.554 -11.687 1.00 0.00 H new ATOM 0 HA ALA A 100 14.032 0.794 -13.609 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.383 2.840 -14.784 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.014 1.711 -14.652 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.101 3.133 -13.585 1.00 0.00 H new