USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 30 TYR OH : rot 111:sc= 0.195 USER MOD Set 1.2: A 81 ASN : amide:sc= -3.4 K(o=-1.5,f=-8.1!) USER MOD Set 1.3: A 82 THR OG1 : rot 0:sc= 1.69 USER MOD Set 1.4: A 98 THR OG1 : rot -50:sc= 0.019 USER MOD Set 2.1: A 66 GLN : amide:sc= -0.125 X(o=-0.15,f=-0.041) USER MOD Set 2.2: A 80 TYR OH : rot 153:sc= -0.0233 USER MOD Single : A 10 SER OG : rot 180:sc= -3.09! USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0.418 (180deg=0.144) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -1.96! (180deg=-3.69!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.0233 (180deg=-0.243) USER MOD Single : A 34 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-7!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.797 USER MOD Single : A 48 ASN : amide:sc= -0.628 K(o=-0.63,f=-7.9!) USER MOD Single : A 54 THR OG1 : rot -58:sc= 1.45 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 58 CYS SG : rot 150:sc= -0.787 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 110:sc= 0.121 USER MOD Single : A 70 GLN : amide:sc= -0.0995 X(o=-0.1,f=-0.05) USER MOD Single : A 71 THR OG1 : rot 1:sc= 0.826 USER MOD Single : A 73 SER OG : rot -99:sc= -2.62! USER MOD Single : A 78 SER OG : rot -132:sc= 1.19 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.45 USER MOD Single : A 88 CYS SG : rot 20:sc= -3.55 USER MOD Single : A 90 HIS : no HE2:sc= -6.19 K(o=-6.2,f=-7.3!) USER MOD Single : A 91 GLN : amide:sc= -0.699 K(o=-0.7,f=-2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0722) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 1.168 12.375 6.914 1.00 0.00 N ATOM 117 CA LEU A 9 2.370 11.713 7.419 1.00 0.00 C ATOM 118 C LEU A 9 2.863 12.389 8.689 1.00 0.00 C ATOM 119 O LEU A 9 2.071 12.938 9.465 1.00 0.00 O ATOM 120 CB LEU A 9 3.398 11.691 6.277 1.00 0.00 C ATOM 121 CG LEU A 9 3.287 10.551 5.277 1.00 0.00 C ATOM 122 CD1 LEU A 9 4.289 10.718 4.144 1.00 0.00 C ATOM 123 CD2 LEU A 9 3.538 9.236 6.010 1.00 0.00 C ATOM 0 HA LEU A 9 2.170 10.683 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.319 12.631 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.395 11.661 6.717 1.00 0.00 H new ATOM 0 HG LEU A 9 2.289 10.553 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.188 9.889 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.098 11.657 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.300 10.728 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.462 8.407 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.536 9.249 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.796 9.112 6.799 1.00 0.00 H new ATOM 135 N SER A 10 4.097 12.053 9.074 1.00 0.00 N ATOM 136 CA SER A 10 4.789 12.819 10.108 1.00 0.00 C ATOM 137 C SER A 10 6.011 13.509 9.516 1.00 0.00 C ATOM 138 O SER A 10 6.641 12.992 8.591 1.00 0.00 O ATOM 139 CB SER A 10 5.163 11.943 11.294 1.00 0.00 C ATOM 140 OG SER A 10 6.329 11.182 11.036 1.00 0.00 O ATOM 0 H SER A 10 4.628 11.270 8.692 1.00 0.00 H new ATOM 0 HA SER A 10 4.109 13.584 10.483 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.324 12.569 12.172 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.335 11.273 11.527 1.00 0.00 H new ATOM 0 HG SER A 10 6.541 10.632 11.819 1.00 0.00 H new ATOM 146 N GLY A 11 6.507 14.518 10.236 1.00 0.00 N ATOM 147 CA GLY A 11 7.513 15.414 9.674 1.00 0.00 C ATOM 148 C GLY A 11 8.781 14.644 9.321 1.00 0.00 C ATOM 149 O GLY A 11 9.267 14.720 8.192 1.00 0.00 O ATOM 0 H GLY A 11 6.232 14.731 11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.117 15.901 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.747 16.202 10.390 1.00 0.00 H new ATOM 153 N GLY A 12 9.182 13.761 10.229 1.00 0.00 N ATOM 154 CA GLY A 12 10.282 12.842 9.980 1.00 0.00 C ATOM 155 C GLY A 12 9.904 11.840 8.894 1.00 0.00 C ATOM 156 O GLY A 12 10.555 11.772 7.849 1.00 0.00 O ATOM 0 H GLY A 12 8.756 13.664 11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.168 13.400 9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.537 12.313 10.898 1.00 0.00 H new ATOM 160 N GLU A 13 8.701 11.289 9.029 1.00 0.00 N ATOM 161 CA GLU A 13 8.202 10.297 8.089 1.00 0.00 C ATOM 162 C GLU A 13 8.115 10.884 6.685 1.00 0.00 C ATOM 163 O GLU A 13 8.083 10.159 5.694 1.00 0.00 O ATOM 164 CB GLU A 13 6.821 9.847 8.590 1.00 0.00 C ATOM 165 CG GLU A 13 6.610 8.826 9.551 1.00 0.00 C ATOM 166 CD GLU A 13 5.215 8.653 10.074 1.00 0.00 C ATOM 167 OE1 GLU A 13 4.367 8.624 9.156 1.00 0.00 O ATOM 168 OE2 GLU A 13 4.927 8.620 11.258 1.00 0.00 O ATOM 0 H GLU A 13 8.054 11.516 9.784 1.00 0.00 H new ATOM 0 HA GLU A 13 8.878 9.444 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.338 10.740 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.261 9.548 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.926 7.879 9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.267 9.020 10.399 1.00 0.00 H new ATOM 175 N LEU A 14 8.223 12.210 6.614 1.00 0.00 N ATOM 176 CA LEU A 14 7.949 12.923 5.371 1.00 0.00 C ATOM 177 C LEU A 14 9.249 13.205 4.620 1.00 0.00 C ATOM 178 O LEU A 14 9.400 12.801 3.464 1.00 0.00 O ATOM 179 CB LEU A 14 7.146 14.186 5.714 1.00 0.00 C ATOM 180 CG LEU A 14 6.160 14.683 4.670 1.00 0.00 C ATOM 181 CD1 LEU A 14 5.289 13.546 4.153 1.00 0.00 C ATOM 182 CD2 LEU A 14 5.289 15.766 5.298 1.00 0.00 C ATOM 0 H LEU A 14 8.496 12.806 7.395 1.00 0.00 H new ATOM 0 HA LEU A 14 7.348 12.319 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.596 13.998 6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.852 14.990 5.922 1.00 0.00 H new ATOM 0 HG LEU A 14 6.712 15.089 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.593 13.931 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.920 12.781 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.730 13.111 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.576 16.133 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.749 15.351 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.919 16.590 5.634 1.00 0.00 H new ATOM 194 N ASP A 15 10.267 13.590 5.386 1.00 0.00 N ATOM 195 CA ASP A 15 11.648 13.548 4.933 1.00 0.00 C ATOM 196 C ASP A 15 12.038 12.112 4.560 1.00 0.00 C ATOM 197 O ASP A 15 12.871 11.910 3.674 1.00 0.00 O ATOM 198 CB ASP A 15 12.597 14.206 5.930 1.00 0.00 C ATOM 199 CG ASP A 15 13.986 14.447 5.371 1.00 0.00 C ATOM 200 OD1 ASP A 15 14.666 13.429 5.121 1.00 0.00 O ATOM 201 OD2 ASP A 15 14.396 15.599 5.167 1.00 0.00 O ATOM 0 H ASP A 15 10.154 13.939 6.338 1.00 0.00 H new ATOM 0 HA ASP A 15 11.740 14.146 4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.172 15.157 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.674 13.576 6.816 1.00 0.00 H new ATOM 206 N LYS A 16 11.161 11.187 4.948 1.00 0.00 N ATOM 207 CA LYS A 16 11.167 9.834 4.422 1.00 0.00 C ATOM 208 C LYS A 16 10.406 9.771 3.096 1.00 0.00 C ATOM 209 O LYS A 16 10.870 9.146 2.141 1.00 0.00 O ATOM 210 CB LYS A 16 10.536 8.837 5.397 1.00 0.00 C ATOM 211 CG LYS A 16 11.375 7.581 5.630 1.00 0.00 C ATOM 212 CD LYS A 16 11.791 6.895 4.341 1.00 0.00 C ATOM 213 CE LYS A 16 13.206 6.496 4.280 1.00 0.00 C ATOM 214 NZ LYS A 16 13.752 6.635 2.907 1.00 0.00 N ATOM 0 H LYS A 16 10.428 11.360 5.636 1.00 0.00 H new ATOM 0 HA LYS A 16 12.211 9.560 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.371 9.334 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.557 8.543 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.267 7.847 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.806 6.880 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.172 6.008 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.581 7.564 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.788 7.109 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.308 5.462 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.789 6.697 2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.478 5.808 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.372 7.498 2.468 1.00 0.00 H new ATOM 228 N TRP A 17 9.144 10.185 3.147 1.00 0.00 N ATOM 229 CA TRP A 17 8.169 9.832 2.121 1.00 0.00 C ATOM 230 C TRP A 17 8.611 10.359 0.762 1.00 0.00 C ATOM 231 O TRP A 17 8.227 9.826 -0.279 1.00 0.00 O ATOM 232 CB TRP A 17 6.763 10.287 2.505 1.00 0.00 C ATOM 233 CG TRP A 17 5.720 10.027 1.449 1.00 0.00 C ATOM 234 CD1 TRP A 17 5.611 10.674 0.245 1.00 0.00 C ATOM 235 CD2 TRP A 17 4.993 8.794 1.295 1.00 0.00 C ATOM 236 NE1 TRP A 17 4.816 9.954 -0.618 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.382 8.827 0.021 1.00 0.00 C ATOM 238 CE3 TRP A 17 4.762 7.711 2.137 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.535 7.819 -0.420 1.00 0.00 C ATOM 240 CZ3 TRP A 17 3.967 6.680 1.675 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.315 6.760 0.446 1.00 0.00 C ATOM 0 H TRP A 17 8.770 10.770 3.894 1.00 0.00 H new ATOM 0 HA TRP A 17 8.123 8.746 2.044 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.468 9.781 3.424 1.00 0.00 H new ATOM 0 HB3 TRP A 17 6.785 11.355 2.723 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.083 11.616 0.007 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.588 10.218 -1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.193 7.677 3.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.069 7.859 -1.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.848 5.793 2.279 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.624 5.980 0.163 1.00 0.00 H new ATOM 252 N GLU A 18 9.596 11.264 0.779 1.00 0.00 N ATOM 253 CA GLU A 18 9.846 12.094 -0.403 1.00 0.00 C ATOM 254 C GLU A 18 10.913 11.470 -1.295 1.00 0.00 C ATOM 255 O GLU A 18 11.426 12.147 -2.198 1.00 0.00 O ATOM 256 CB GLU A 18 10.280 13.476 0.102 1.00 0.00 C ATOM 257 CG GLU A 18 9.394 14.546 0.386 1.00 0.00 C ATOM 258 CD GLU A 18 9.662 15.856 -0.293 1.00 0.00 C ATOM 259 OE1 GLU A 18 10.814 16.282 -0.059 1.00 0.00 O ATOM 260 OE2 GLU A 18 8.890 16.394 -1.069 1.00 0.00 O ATOM 0 H GLU A 18 10.215 11.437 1.571 1.00 0.00 H new ATOM 0 HA GLU A 18 8.946 12.177 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.841 13.299 1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.986 13.858 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.385 14.229 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.403 14.715 1.463 1.00 0.00 H new ATOM 267 N LYS A 19 11.007 10.148 -1.252 1.00 0.00 N ATOM 268 CA LYS A 19 11.645 9.370 -2.313 1.00 0.00 C ATOM 269 C LYS A 19 11.612 7.887 -1.953 1.00 0.00 C ATOM 270 O LYS A 19 12.516 7.390 -1.267 1.00 0.00 O ATOM 271 CB LYS A 19 13.088 9.804 -2.554 1.00 0.00 C ATOM 272 CG LYS A 19 13.802 9.019 -3.657 1.00 0.00 C ATOM 273 CD LYS A 19 15.109 8.402 -3.195 1.00 0.00 C ATOM 274 CE LYS A 19 16.164 9.369 -2.851 1.00 0.00 C ATOM 275 NZ LYS A 19 15.902 10.016 -1.542 1.00 0.00 N ATOM 0 H LYS A 19 10.645 9.583 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 19 11.087 9.547 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.099 10.863 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.648 9.696 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.142 8.230 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.998 9.683 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.911 7.777 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.481 7.745 -3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.128 8.862 -2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.229 10.131 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.803 10.312 -1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.295 10.849 -1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.424 9.341 -0.911 1.00 0.00 H new ATOM 289 N ILE A 20 10.403 7.317 -2.032 1.00 0.00 N ATOM 290 CA ILE A 20 10.274 5.862 -1.902 1.00 0.00 C ATOM 291 C ILE A 20 10.129 5.232 -3.283 1.00 0.00 C ATOM 292 O ILE A 20 8.998 5.078 -3.773 1.00 0.00 O ATOM 293 CB ILE A 20 9.131 5.496 -0.902 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.629 5.779 0.555 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.589 4.056 -1.021 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.498 5.797 1.608 1.00 0.00 C ATOM 0 H ILE A 20 9.529 7.821 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 20 11.180 5.439 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 20 8.281 6.127 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.360 5.020 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.145 6.739 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.800 3.902 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.186 3.900 -2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.397 3.347 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.920 5.999 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.778 6.575 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.997 4.829 1.620 1.00 0.00 H new ATOM 308 N ARG A 21 11.161 4.478 -3.668 1.00 0.00 N ATOM 309 CA ARG A 21 11.190 3.837 -4.972 1.00 0.00 C ATOM 310 C ARG A 21 10.028 2.850 -5.111 1.00 0.00 C ATOM 311 O ARG A 21 9.447 2.446 -4.095 1.00 0.00 O ATOM 312 CB ARG A 21 12.515 3.103 -5.219 1.00 0.00 C ATOM 313 CG ARG A 21 13.362 3.683 -6.342 1.00 0.00 C ATOM 314 CD ARG A 21 14.818 3.472 -6.100 1.00 0.00 C ATOM 315 NE ARG A 21 15.515 4.719 -5.818 1.00 0.00 N ATOM 316 CZ ARG A 21 16.820 4.784 -5.552 1.00 0.00 C ATOM 317 NH1 ARG A 21 17.618 3.733 -5.721 1.00 0.00 N ATOM 318 NH2 ARG A 21 17.348 5.944 -5.160 1.00 0.00 N ATOM 0 H ARG A 21 11.984 4.300 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 21 11.092 4.625 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.099 3.115 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.300 2.059 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.079 3.220 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.160 4.750 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.950 2.787 -5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.265 2.998 -6.974 1.00 0.00 H new ATOM 0 HE ARG A 21 14.978 5.586 -5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.235 2.851 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.613 3.809 -5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.755 6.769 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.345 6.007 -4.954 1.00 0.00 H new ATOM 464 N TYR A 30 8.543 7.239 -5.231 1.00 0.00 N ATOM 465 CA TYR A 30 7.425 7.823 -4.514 1.00 0.00 C ATOM 466 C TYR A 30 7.713 9.311 -4.214 1.00 0.00 C ATOM 467 O TYR A 30 8.580 9.548 -3.343 1.00 0.00 O ATOM 468 CB TYR A 30 7.146 7.091 -3.191 1.00 0.00 C ATOM 469 CG TYR A 30 6.290 5.842 -3.288 1.00 0.00 C ATOM 470 CD1 TYR A 30 6.285 5.062 -4.446 1.00 0.00 C ATOM 471 CD2 TYR A 30 5.652 5.327 -2.152 1.00 0.00 C ATOM 472 CE1 TYR A 30 5.769 3.769 -4.449 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.105 4.043 -2.147 1.00 0.00 C ATOM 474 CZ TYR A 30 5.174 3.263 -3.300 1.00 0.00 C ATOM 475 OH TYR A 30 4.370 2.147 -3.449 1.00 0.00 O ATOM 0 HA TYR A 30 6.545 7.727 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.101 6.819 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.660 7.788 -2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.690 5.471 -5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.582 5.936 -1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.831 3.162 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.632 3.657 -1.256 1.00 0.00 H new ATOM 0 HH TYR A 30 4.803 1.374 -3.031 1.00 0.00 H new ATOM 485 N LYS A 31 6.634 10.091 -4.324 1.00 0.00 N ATOM 486 CA LYS A 31 6.658 11.487 -3.931 1.00 0.00 C ATOM 487 C LYS A 31 5.395 11.857 -3.161 1.00 0.00 C ATOM 488 O LYS A 31 4.498 11.039 -2.982 1.00 0.00 O ATOM 489 CB LYS A 31 6.790 12.419 -5.140 1.00 0.00 C ATOM 490 CG LYS A 31 7.798 13.550 -4.940 1.00 0.00 C ATOM 491 CD LYS A 31 8.585 13.877 -6.197 1.00 0.00 C ATOM 492 CE LYS A 31 7.836 14.633 -7.215 1.00 0.00 C ATOM 493 NZ LYS A 31 8.594 15.826 -7.672 1.00 0.00 N ATOM 0 H LYS A 31 5.735 9.771 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 31 7.532 11.615 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.085 11.831 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.814 12.850 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.271 14.444 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.492 13.274 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.469 14.450 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.936 12.946 -6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.624 13.987 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.876 14.946 -6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.039 16.336 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.775 16.453 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.499 15.525 -8.085 1.00 0.00 H new ATOM 507 N LEU A 32 5.335 13.115 -2.730 1.00 0.00 N ATOM 508 CA LEU A 32 4.305 13.554 -1.798 1.00 0.00 C ATOM 509 C LEU A 32 3.153 14.219 -2.548 1.00 0.00 C ATOM 510 O LEU A 32 2.018 14.233 -2.073 1.00 0.00 O ATOM 511 CB LEU A 32 4.960 14.462 -0.750 1.00 0.00 C ATOM 512 CG LEU A 32 5.134 13.923 0.655 1.00 0.00 C ATOM 513 CD1 LEU A 32 5.444 15.092 1.590 1.00 0.00 C ATOM 514 CD2 LEU A 32 3.898 13.183 1.142 1.00 0.00 C ATOM 0 H LEU A 32 5.988 13.846 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 32 3.862 12.706 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.945 14.744 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.369 15.376 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 32 5.955 13.205 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.572 14.721 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.361 15.584 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.620 15.806 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.069 12.815 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.045 13.861 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.693 12.342 0.480 1.00 0.00 H new ATOM 526 N LYS A 33 3.456 14.756 -3.734 1.00 0.00 N ATOM 527 CA LYS A 33 2.387 14.958 -4.735 1.00 0.00 C ATOM 528 C LYS A 33 1.831 13.608 -5.168 1.00 0.00 C ATOM 529 O LYS A 33 0.666 13.494 -5.558 1.00 0.00 O ATOM 530 CB LYS A 33 2.911 15.710 -5.953 1.00 0.00 C ATOM 531 CG LYS A 33 2.024 16.875 -6.398 1.00 0.00 C ATOM 532 CD LYS A 33 2.384 18.186 -5.725 1.00 0.00 C ATOM 533 CE LYS A 33 3.773 18.628 -5.933 1.00 0.00 C ATOM 534 NZ LYS A 33 4.167 18.526 -7.360 1.00 0.00 N ATOM 0 H LYS A 33 4.389 15.050 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 33 1.597 15.554 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.908 16.091 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.015 15.010 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.105 16.994 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.983 16.635 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.712 18.962 -6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.205 18.089 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.882 19.659 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.444 18.022 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.039 19.070 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.332 17.529 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.407 18.908 -7.958 1.00 0.00 H new ATOM 548 N HIS A 34 2.530 12.553 -4.745 1.00 0.00 N ATOM 549 CA HIS A 34 2.285 11.224 -5.362 1.00 0.00 C ATOM 550 C HIS A 34 1.635 10.330 -4.304 1.00 0.00 C ATOM 551 O HIS A 34 0.671 9.618 -4.625 1.00 0.00 O ATOM 552 CB HIS A 34 3.584 10.622 -5.908 1.00 0.00 C ATOM 553 CG HIS A 34 3.548 9.168 -6.266 1.00 0.00 C ATOM 554 ND1 HIS A 34 4.516 8.273 -5.856 1.00 0.00 N ATOM 555 CD2 HIS A 34 2.512 8.410 -6.702 1.00 0.00 C ATOM 556 CE1 HIS A 34 4.163 7.057 -6.252 1.00 0.00 C ATOM 557 NE2 HIS A 34 2.925 7.104 -6.690 1.00 0.00 N ATOM 0 H HIS A 34 3.240 12.574 -4.013 1.00 0.00 H new ATOM 0 HA HIS A 34 1.615 11.318 -6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.874 11.185 -6.795 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.368 10.771 -5.165 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.539 8.770 -7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.788 6.177 -6.220 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.364 6.301 -6.974 1.00 0.00 H new ATOM 565 N ILE A 35 1.875 10.676 -3.039 1.00 0.00 N ATOM 566 CA ILE A 35 0.976 10.297 -1.947 1.00 0.00 C ATOM 567 C ILE A 35 -0.399 10.917 -2.181 1.00 0.00 C ATOM 568 O ILE A 35 -1.420 10.244 -2.098 1.00 0.00 O ATOM 569 CB ILE A 35 1.598 10.649 -0.559 1.00 0.00 C ATOM 570 CG1 ILE A 35 1.126 9.600 0.494 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.347 12.090 -0.072 1.00 0.00 C ATOM 572 CD1 ILE A 35 1.941 9.622 1.809 1.00 0.00 C ATOM 0 H ILE A 35 2.686 11.219 -2.744 1.00 0.00 H new ATOM 0 HA ILE A 35 0.841 9.216 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 35 2.680 10.603 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.076 9.779 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.190 8.604 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.819 12.233 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.770 12.795 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.274 12.262 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.553 8.865 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.988 9.412 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.857 10.605 2.273 1.00 0.00 H new ATOM 584 N VAL A 36 -0.387 12.215 -2.478 1.00 0.00 N ATOM 585 CA VAL A 36 -1.627 12.990 -2.506 1.00 0.00 C ATOM 586 C VAL A 36 -2.512 12.462 -3.644 1.00 0.00 C ATOM 587 O VAL A 36 -3.676 12.125 -3.389 1.00 0.00 O ATOM 588 CB VAL A 36 -1.332 14.493 -2.587 1.00 0.00 C ATOM 589 CG1 VAL A 36 -2.583 15.338 -2.820 1.00 0.00 C ATOM 590 CG2 VAL A 36 -0.578 14.989 -1.359 1.00 0.00 C ATOM 0 H VAL A 36 0.455 12.747 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.183 12.863 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.693 14.618 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.307 16.391 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.052 15.043 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.284 15.183 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.389 16.058 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.176 14.806 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.371 14.459 -1.276 1.00 0.00 H new ATOM 600 N TRP A 37 -1.835 11.946 -4.668 1.00 0.00 N ATOM 601 CA TRP A 37 -2.462 11.104 -5.680 1.00 0.00 C ATOM 602 C TRP A 37 -3.075 9.864 -5.025 1.00 0.00 C ATOM 603 O TRP A 37 -4.134 9.396 -5.454 1.00 0.00 O ATOM 604 CB TRP A 37 -1.479 10.770 -6.796 1.00 0.00 C ATOM 605 CG TRP A 37 -1.937 9.740 -7.780 1.00 0.00 C ATOM 606 CD1 TRP A 37 -2.801 9.931 -8.826 1.00 0.00 C ATOM 607 CD2 TRP A 37 -1.837 8.315 -7.610 1.00 0.00 C ATOM 608 NE1 TRP A 37 -3.179 8.723 -9.363 1.00 0.00 N ATOM 609 CE2 TRP A 37 -2.601 7.718 -8.638 1.00 0.00 C ATOM 610 CE3 TRP A 37 -1.149 7.507 -6.711 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -2.691 6.341 -8.790 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -1.216 6.138 -6.879 1.00 0.00 C ATOM 613 CH2 TRP A 37 -1.889 5.568 -7.960 1.00 0.00 C ATOM 0 H TRP A 37 -0.838 12.101 -4.818 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.278 11.651 -6.152 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.249 11.687 -7.339 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.549 10.425 -6.344 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.138 10.895 -9.179 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.790 8.597 -10.170 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.577 7.939 -5.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.352 5.893 -9.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.736 5.494 -6.157 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.785 4.511 -8.154 1.00 0.00 H new ATOM 624 N ALA A 38 -2.208 9.139 -4.316 1.00 0.00 N ATOM 625 CA ALA A 38 -2.541 7.824 -3.790 1.00 0.00 C ATOM 626 C ALA A 38 -3.743 7.926 -2.844 1.00 0.00 C ATOM 627 O ALA A 38 -4.865 7.601 -3.219 1.00 0.00 O ATOM 628 CB ALA A 38 -1.338 7.261 -3.027 1.00 0.00 C ATOM 0 H ALA A 38 -1.262 9.449 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.794 7.162 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.586 6.276 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.486 7.178 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.085 7.929 -2.203 1.00 0.00 H new ATOM 634 N SER A 39 -3.522 8.664 -1.756 1.00 0.00 N ATOM 635 CA SER A 39 -4.549 8.840 -0.741 1.00 0.00 C ATOM 636 C SER A 39 -5.727 9.631 -1.301 1.00 0.00 C ATOM 637 O SER A 39 -6.842 9.533 -0.778 1.00 0.00 O ATOM 638 CB SER A 39 -3.993 9.439 0.537 1.00 0.00 C ATOM 639 OG SER A 39 -4.987 10.018 1.358 1.00 0.00 O ATOM 0 H SER A 39 -2.644 9.145 -1.560 1.00 0.00 H new ATOM 0 HA SER A 39 -4.923 7.854 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.474 8.663 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.253 10.198 0.283 1.00 0.00 H new ATOM 0 HG SER A 39 -4.571 10.385 2.166 1.00 0.00 H new ATOM 645 N ARG A 40 -5.532 10.202 -2.485 1.00 0.00 N ATOM 646 CA ARG A 40 -6.642 10.632 -3.328 1.00 0.00 C ATOM 647 C ARG A 40 -7.389 9.416 -3.873 1.00 0.00 C ATOM 648 O ARG A 40 -8.578 9.240 -3.619 1.00 0.00 O ATOM 649 CB ARG A 40 -6.175 11.513 -4.491 1.00 0.00 C ATOM 650 CG ARG A 40 -6.202 13.009 -4.208 1.00 0.00 C ATOM 651 CD ARG A 40 -5.592 13.791 -5.321 1.00 0.00 C ATOM 652 NE ARG A 40 -6.268 13.557 -6.590 1.00 0.00 N ATOM 653 CZ ARG A 40 -5.634 13.542 -7.763 1.00 0.00 C ATOM 654 NH1 ARG A 40 -4.369 13.936 -7.877 1.00 0.00 N ATOM 655 NH2 ARG A 40 -6.300 13.171 -8.858 1.00 0.00 N ATOM 0 H ARG A 40 -4.610 10.378 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.309 11.228 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.158 11.226 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.804 11.310 -5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.232 13.333 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.665 13.214 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.631 14.853 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.540 13.524 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.275 13.397 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.860 14.260 -7.055 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.908 13.914 -8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.282 12.903 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.827 13.155 -9.762 1.00 0.00 H new ATOM 669 N GLU A 41 -6.702 8.661 -4.723 1.00 0.00 N ATOM 670 CA GLU A 41 -7.331 7.605 -5.501 1.00 0.00 C ATOM 671 C GLU A 41 -7.949 6.558 -4.576 1.00 0.00 C ATOM 672 O GLU A 41 -9.077 6.113 -4.810 1.00 0.00 O ATOM 673 CB GLU A 41 -6.247 6.982 -6.391 1.00 0.00 C ATOM 674 CG GLU A 41 -6.453 6.538 -7.723 1.00 0.00 C ATOM 675 CD GLU A 41 -6.636 7.591 -8.776 1.00 0.00 C ATOM 676 OE1 GLU A 41 -5.705 8.425 -8.773 1.00 0.00 O ATOM 677 OE2 GLU A 41 -7.516 7.568 -9.618 1.00 0.00 O ATOM 0 H GLU A 41 -5.701 8.764 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.137 8.006 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.440 7.713 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.865 6.121 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.602 5.919 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.333 5.894 -7.732 1.00 0.00 H new ATOM 684 N LEU A 42 -7.327 6.394 -3.410 1.00 0.00 N ATOM 685 CA LEU A 42 -7.910 5.610 -2.333 1.00 0.00 C ATOM 686 C LEU A 42 -9.221 6.244 -1.865 1.00 0.00 C ATOM 687 O LEU A 42 -10.258 5.580 -1.813 1.00 0.00 O ATOM 688 CB LEU A 42 -6.872 5.521 -1.192 1.00 0.00 C ATOM 689 CG LEU A 42 -7.397 4.900 0.097 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.701 3.584 0.387 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.201 5.877 1.246 1.00 0.00 C ATOM 0 H LEU A 42 -6.416 6.797 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.152 4.604 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.019 4.938 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.505 6.524 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.461 4.692 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.093 3.161 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.879 2.889 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.630 3.754 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.576 5.434 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.140 6.101 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.746 6.798 1.038 1.00 0.00 H new ATOM 703 N GLU A 43 -9.086 7.422 -1.260 1.00 0.00 N ATOM 704 CA GLU A 43 -10.182 8.066 -0.551 1.00 0.00 C ATOM 705 C GLU A 43 -11.356 8.304 -1.510 1.00 0.00 C ATOM 706 O GLU A 43 -12.504 8.007 -1.148 1.00 0.00 O ATOM 707 CB GLU A 43 -9.654 9.403 -0.006 1.00 0.00 C ATOM 708 CG GLU A 43 -9.443 10.564 -0.793 1.00 0.00 C ATOM 709 CD GLU A 43 -10.650 11.217 -1.393 1.00 0.00 C ATOM 710 OE1 GLU A 43 -11.778 11.123 -0.939 1.00 0.00 O ATOM 711 OE2 GLU A 43 -10.368 11.898 -2.402 1.00 0.00 O ATOM 0 H GLU A 43 -8.215 7.953 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.539 7.438 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.340 9.697 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.697 9.180 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.933 11.302 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.763 10.303 -1.604 1.00 0.00 H new ATOM 718 N ARG A 44 -11.007 8.252 -2.805 1.00 0.00 N ATOM 719 CA ARG A 44 -11.993 8.468 -3.853 1.00 0.00 C ATOM 720 C ARG A 44 -12.435 7.148 -4.472 1.00 0.00 C ATOM 721 O ARG A 44 -13.495 7.071 -5.098 1.00 0.00 O ATOM 722 CB ARG A 44 -11.460 9.401 -4.950 1.00 0.00 C ATOM 723 CG ARG A 44 -12.305 10.644 -5.189 1.00 0.00 C ATOM 724 CD ARG A 44 -13.725 10.296 -5.483 1.00 0.00 C ATOM 725 NE ARG A 44 -14.652 11.285 -4.951 1.00 0.00 N ATOM 726 CZ ARG A 44 -15.920 11.007 -4.644 1.00 0.00 C ATOM 727 NH1 ARG A 44 -16.373 9.758 -4.621 1.00 0.00 N ATOM 728 NH2 ARG A 44 -16.739 12.002 -4.300 1.00 0.00 N ATOM 0 H ARG A 44 -10.062 8.065 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.853 8.945 -3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.449 9.710 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.389 8.841 -5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.262 11.288 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.890 11.212 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.862 10.214 -6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.954 9.319 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.315 12.237 -4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.746 8.984 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.347 9.573 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.393 12.961 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.711 11.804 -4.063 1.00 0.00 H new ATOM 742 N PHE A 45 -11.703 6.083 -4.160 1.00 0.00 N ATOM 743 CA PHE A 45 -12.213 4.721 -4.317 1.00 0.00 C ATOM 744 C PHE A 45 -13.443 4.523 -3.434 1.00 0.00 C ATOM 745 O PHE A 45 -14.546 4.306 -3.923 1.00 0.00 O ATOM 746 CB PHE A 45 -11.172 3.627 -3.972 1.00 0.00 C ATOM 747 CG PHE A 45 -10.623 2.951 -5.195 1.00 0.00 C ATOM 748 CD1 PHE A 45 -10.061 3.645 -6.267 1.00 0.00 C ATOM 749 CD2 PHE A 45 -10.748 1.561 -5.267 1.00 0.00 C ATOM 750 CE1 PHE A 45 -9.563 2.955 -7.377 1.00 0.00 C ATOM 751 CE2 PHE A 45 -10.266 0.858 -6.359 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.643 1.552 -7.401 1.00 0.00 C ATOM 0 H PHE A 45 -10.752 6.135 -3.796 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.463 4.610 -5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.353 4.074 -3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.634 2.881 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.010 4.723 -6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.227 1.027 -4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -9.123 3.493 -8.204 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.370 -0.216 -6.405 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.220 1.005 -8.231 1.00 0.00 H new ATOM 762 N ALA A 46 -13.232 4.645 -2.123 1.00 0.00 N ATOM 763 CA ALA A 46 -14.216 4.142 -1.161 1.00 0.00 C ATOM 764 C ALA A 46 -13.818 4.539 0.259 1.00 0.00 C ATOM 765 O ALA A 46 -14.222 3.885 1.225 1.00 0.00 O ATOM 766 CB ALA A 46 -14.321 2.624 -1.287 1.00 0.00 C ATOM 0 H ALA A 46 -12.407 5.078 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.189 4.583 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.053 2.249 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.635 2.364 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.350 2.174 -1.082 1.00 0.00 H new ATOM 772 N VAL A 47 -12.868 5.463 0.364 1.00 0.00 N ATOM 773 CA VAL A 47 -12.014 5.556 1.552 1.00 0.00 C ATOM 774 C VAL A 47 -12.012 6.977 2.093 1.00 0.00 C ATOM 775 O VAL A 47 -12.503 7.904 1.450 1.00 0.00 O ATOM 776 CB VAL A 47 -10.612 5.002 1.231 1.00 0.00 C ATOM 777 CG1 VAL A 47 -9.741 4.859 2.472 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.691 3.688 0.468 1.00 0.00 C ATOM 0 H VAL A 47 -12.667 6.158 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.412 4.936 2.355 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.132 5.739 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.765 4.465 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.616 5.834 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.218 4.176 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.684 3.327 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.223 2.950 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.223 3.844 -0.471 1.00 0.00 H new ATOM 788 N ASN A 48 -11.329 7.151 3.222 1.00 0.00 N ATOM 789 CA ASN A 48 -11.125 8.467 3.805 1.00 0.00 C ATOM 790 C ASN A 48 -9.616 8.713 4.012 1.00 0.00 C ATOM 791 O ASN A 48 -8.839 7.772 4.254 1.00 0.00 O ATOM 792 CB ASN A 48 -11.957 8.668 5.063 1.00 0.00 C ATOM 793 CG ASN A 48 -11.687 9.983 5.770 1.00 0.00 C ATOM 794 OD1 ASN A 48 -10.697 10.116 6.504 1.00 0.00 O ATOM 795 ND2 ASN A 48 -12.563 10.962 5.552 1.00 0.00 N ATOM 0 H ASN A 48 -10.906 6.389 3.752 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.485 9.227 3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.014 8.617 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.760 7.848 5.753 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.434 11.870 5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.363 10.804 4.939 1.00 0.00 H new ATOM 802 N PRO A 49 -9.181 9.938 3.646 1.00 0.00 N ATOM 803 CA PRO A 49 -7.741 10.287 3.552 1.00 0.00 C ATOM 804 C PRO A 49 -7.044 10.401 4.905 1.00 0.00 C ATOM 805 O PRO A 49 -6.096 9.670 5.186 1.00 0.00 O ATOM 806 CB PRO A 49 -7.658 11.580 2.743 1.00 0.00 C ATOM 807 CG PRO A 49 -9.048 12.075 2.481 1.00 0.00 C ATOM 808 CD PRO A 49 -9.989 11.099 3.171 1.00 0.00 C ATOM 0 HA PRO A 49 -7.201 9.480 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.086 12.331 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.136 11.404 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.181 13.084 2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.250 12.118 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.492 11.582 4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.766 10.767 2.482 1.00 0.00 H new ATOM 816 N GLY A 50 -7.661 11.167 5.801 1.00 0.00 N ATOM 817 CA GLY A 50 -7.267 11.200 7.201 1.00 0.00 C ATOM 818 C GLY A 50 -7.384 9.806 7.819 1.00 0.00 C ATOM 819 O GLY A 50 -6.473 9.363 8.533 1.00 0.00 O ATOM 0 H GLY A 50 -8.445 11.779 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.242 11.559 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.898 11.901 7.747 1.00 0.00 H new ATOM 823 N LEU A 51 -8.223 8.990 7.175 1.00 0.00 N ATOM 824 CA LEU A 51 -8.522 7.661 7.698 1.00 0.00 C ATOM 825 C LEU A 51 -7.385 6.696 7.352 1.00 0.00 C ATOM 826 O LEU A 51 -6.664 6.270 8.270 1.00 0.00 O ATOM 827 CB LEU A 51 -9.895 7.247 7.163 1.00 0.00 C ATOM 828 CG LEU A 51 -10.251 5.778 7.126 1.00 0.00 C ATOM 829 CD1 LEU A 51 -9.510 5.052 6.013 1.00 0.00 C ATOM 830 CD2 LEU A 51 -9.944 5.143 8.476 1.00 0.00 C ATOM 0 H LEU A 51 -8.699 9.224 6.304 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.581 7.649 8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.650 7.754 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.984 7.633 6.148 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.317 5.689 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.790 3.999 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.773 5.494 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.435 5.142 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.201 4.084 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.882 5.252 8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.528 5.637 9.252 1.00 0.00 H new ATOM 842 N LEU A 52 -6.930 6.813 6.103 1.00 0.00 N ATOM 843 CA LEU A 52 -5.745 6.088 5.651 1.00 0.00 C ATOM 844 C LEU A 52 -4.487 6.759 6.187 1.00 0.00 C ATOM 845 O LEU A 52 -3.486 6.084 6.453 1.00 0.00 O ATOM 846 CB LEU A 52 -5.835 5.904 4.144 1.00 0.00 C ATOM 847 CG LEU A 52 -4.754 6.420 3.228 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.624 7.935 3.286 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.424 5.762 3.574 1.00 0.00 C ATOM 0 H LEU A 52 -7.363 7.401 5.391 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.690 5.079 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.925 4.834 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.770 6.363 3.823 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.036 6.161 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.833 8.258 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.567 8.393 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.379 8.240 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.647 6.139 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.161 5.993 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.511 4.682 3.455 1.00 0.00 H new ATOM 861 N GLU A 53 -4.657 7.995 6.652 1.00 0.00 N ATOM 862 CA GLU A 53 -3.535 8.782 7.148 1.00 0.00 C ATOM 863 C GLU A 53 -3.069 8.240 8.496 1.00 0.00 C ATOM 864 O GLU A 53 -1.872 8.194 8.780 1.00 0.00 O ATOM 865 CB GLU A 53 -3.995 10.238 7.237 1.00 0.00 C ATOM 866 CG GLU A 53 -3.620 11.170 8.237 1.00 0.00 C ATOM 867 CD GLU A 53 -4.065 12.591 8.052 1.00 0.00 C ATOM 868 OE1 GLU A 53 -3.847 13.252 7.052 1.00 0.00 O ATOM 869 OE2 GLU A 53 -4.754 12.998 9.012 1.00 0.00 O ATOM 0 H GLU A 53 -5.559 8.470 6.695 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.679 8.719 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.713 10.695 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.084 10.202 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.009 10.816 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.533 11.164 8.314 1.00 0.00 H new ATOM 876 N THR A 54 -4.021 7.747 9.282 1.00 0.00 N ATOM 877 CA THR A 54 -3.705 6.823 10.372 1.00 0.00 C ATOM 878 C THR A 54 -3.339 5.455 9.800 1.00 0.00 C ATOM 879 O THR A 54 -3.913 5.031 8.792 1.00 0.00 O ATOM 880 CB THR A 54 -4.897 6.710 11.405 1.00 0.00 C ATOM 881 OG1 THR A 54 -5.922 5.884 10.784 1.00 0.00 O ATOM 882 CG2 THR A 54 -5.435 8.059 11.882 1.00 0.00 C ATOM 0 H THR A 54 -5.012 7.968 9.188 1.00 0.00 H new ATOM 0 HA THR A 54 -2.848 7.217 10.919 1.00 0.00 H new ATOM 0 HB THR A 54 -4.535 6.248 12.323 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.198 6.288 9.935 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.250 7.897 12.588 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.637 8.617 12.372 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.803 8.627 11.027 1.00 0.00 H new ATOM 890 N SER A 55 -2.661 4.660 10.624 1.00 0.00 N ATOM 891 CA SER A 55 -2.463 3.245 10.364 1.00 0.00 C ATOM 892 C SER A 55 -3.800 2.527 10.218 1.00 0.00 C ATOM 893 O SER A 55 -4.070 1.885 9.200 1.00 0.00 O ATOM 894 CB SER A 55 -1.608 2.593 11.449 1.00 0.00 C ATOM 895 OG SER A 55 -1.710 3.293 12.676 1.00 0.00 O ATOM 0 H SER A 55 -2.234 4.984 11.492 1.00 0.00 H new ATOM 0 HA SER A 55 -1.924 3.154 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.923 1.559 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.567 2.568 11.128 1.00 0.00 H new ATOM 0 HG SER A 55 -1.154 2.852 13.352 1.00 0.00 H new ATOM 901 N GLU A 56 -4.727 2.860 11.117 1.00 0.00 N ATOM 902 CA GLU A 56 -5.916 2.038 11.300 1.00 0.00 C ATOM 903 C GLU A 56 -6.750 2.017 10.023 1.00 0.00 C ATOM 904 O GLU A 56 -7.096 0.948 9.516 1.00 0.00 O ATOM 905 CB GLU A 56 -6.706 2.623 12.475 1.00 0.00 C ATOM 906 CG GLU A 56 -7.394 1.854 13.449 1.00 0.00 C ATOM 907 CD GLU A 56 -8.417 2.564 14.285 1.00 0.00 C ATOM 908 OE1 GLU A 56 -8.149 3.387 15.142 1.00 0.00 O ATOM 909 OE2 GLU A 56 -9.585 2.232 13.986 1.00 0.00 O ATOM 0 H GLU A 56 -4.677 3.681 11.720 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.643 1.005 11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.005 3.249 13.027 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.450 3.288 12.036 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.889 1.028 12.939 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.654 1.417 14.119 1.00 0.00 H new ATOM 916 N GLY A 57 -6.872 3.188 9.408 1.00 0.00 N ATOM 917 CA GLY A 57 -7.583 3.323 8.146 1.00 0.00 C ATOM 918 C GLY A 57 -6.787 2.675 7.015 1.00 0.00 C ATOM 919 O GLY A 57 -7.321 1.862 6.261 1.00 0.00 O ATOM 0 H GLY A 57 -6.485 4.061 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.565 2.856 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.748 4.378 7.925 1.00 0.00 H new ATOM 923 N CYS A 58 -5.471 2.848 7.085 1.00 0.00 N ATOM 924 CA CYS A 58 -4.562 2.226 6.136 1.00 0.00 C ATOM 925 C CYS A 58 -4.661 0.704 6.225 1.00 0.00 C ATOM 926 O CYS A 58 -4.628 0.015 5.206 1.00 0.00 O ATOM 927 CB CYS A 58 -3.127 2.705 6.344 1.00 0.00 C ATOM 928 SG CYS A 58 -2.102 2.657 4.854 1.00 0.00 S ATOM 0 H CYS A 58 -5.011 3.418 7.795 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.858 2.528 5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.149 3.727 6.723 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.659 2.090 7.113 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.206 3.597 4.913 1.00 0.00 H new ATOM 933 N ARG A 59 -5.098 0.243 7.398 1.00 0.00 N ATOM 934 CA ARG A 59 -5.280 -1.181 7.638 1.00 0.00 C ATOM 935 C ARG A 59 -6.623 -1.643 7.071 1.00 0.00 C ATOM 936 O ARG A 59 -6.786 -2.814 6.730 1.00 0.00 O ATOM 937 CB ARG A 59 -5.217 -1.521 9.132 1.00 0.00 C ATOM 938 CG ARG A 59 -5.405 -2.998 9.454 1.00 0.00 C ATOM 939 CD ARG A 59 -4.429 -3.850 8.716 1.00 0.00 C ATOM 940 NE ARG A 59 -3.436 -4.437 9.605 1.00 0.00 N ATOM 941 CZ ARG A 59 -2.123 -4.389 9.366 1.00 0.00 C ATOM 942 NH1 ARG A 59 -1.646 -4.006 8.185 1.00 0.00 N ATOM 943 NH2 ARG A 59 -1.273 -4.784 10.315 1.00 0.00 N ATOM 0 H ARG A 59 -5.331 0.838 8.193 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.465 -1.701 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.253 -1.197 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.983 -0.948 9.654 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.288 -3.155 10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.420 -3.301 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.963 -4.644 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.927 -3.251 7.956 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.759 -4.907 10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.287 -3.741 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.639 -3.978 8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.628 -5.118 11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.268 -4.752 10.145 1.00 0.00 H new ATOM 957 N GLN A 60 -7.643 -0.818 7.340 1.00 0.00 N ATOM 958 CA GLN A 60 -8.992 -1.120 6.875 1.00 0.00 C ATOM 959 C GLN A 60 -9.011 -1.128 5.338 1.00 0.00 C ATOM 960 O GLN A 60 -9.501 -2.112 4.757 1.00 0.00 O ATOM 961 CB GLN A 60 -10.042 -0.160 7.425 1.00 0.00 C ATOM 962 CG GLN A 60 -11.471 -0.568 7.120 1.00 0.00 C ATOM 963 CD GLN A 60 -12.265 -0.909 8.355 1.00 0.00 C ATOM 964 OE1 GLN A 60 -13.079 -0.130 8.843 1.00 0.00 O ATOM 965 NE2 GLN A 60 -12.002 -2.102 8.886 1.00 0.00 N ATOM 0 H GLN A 60 -7.557 0.050 7.869 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.258 -2.106 7.255 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.919 -0.084 8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.863 0.833 7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.968 0.243 6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.462 -1.429 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.317 -2.717 8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.485 -2.401 9.733 1.00 0.00 H new ATOM 974 N ILE A 61 -8.045 -0.391 4.781 1.00 0.00 N ATOM 975 CA ILE A 61 -7.749 -0.465 3.361 1.00 0.00 C ATOM 976 C ILE A 61 -6.932 -1.706 3.040 1.00 0.00 C ATOM 977 O ILE A 61 -7.415 -2.638 2.399 1.00 0.00 O ATOM 978 CB ILE A 61 -7.084 0.855 2.839 1.00 0.00 C ATOM 979 CG1 ILE A 61 -7.979 2.079 3.126 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.672 0.751 1.349 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.493 1.902 2.882 1.00 0.00 C ATOM 0 H ILE A 61 -7.458 0.263 5.299 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.692 -0.560 2.822 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.158 1.001 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.834 2.371 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.630 2.908 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.216 1.689 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.956 -0.061 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.554 0.552 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.011 2.831 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.666 1.648 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.873 1.102 3.517 1.00 0.00 H new ATOM 993 N LEU A 62 -5.710 -1.755 3.560 1.00 0.00 N ATOM 994 CA LEU A 62 -4.700 -2.685 3.075 1.00 0.00 C ATOM 995 C LEU A 62 -5.199 -4.133 3.229 1.00 0.00 C ATOM 996 O LEU A 62 -5.011 -4.930 2.297 1.00 0.00 O ATOM 997 CB LEU A 62 -3.402 -2.418 3.850 1.00 0.00 C ATOM 998 CG LEU A 62 -2.097 -2.844 3.210 1.00 0.00 C ATOM 999 CD1 LEU A 62 -1.920 -2.229 1.830 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -0.945 -2.421 4.121 1.00 0.00 C ATOM 0 H LEU A 62 -5.395 -1.156 4.323 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.505 -2.540 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.344 -1.348 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.480 -2.917 4.816 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.107 -3.927 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.972 -2.558 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.738 -2.545 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.922 -1.142 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.002 -2.721 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.960 -1.338 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.055 -2.901 5.093 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.240 -4.256 4.058 1.00 0.00 N ATOM 1013 CA GLY A 63 -6.968 -5.505 4.193 1.00 0.00 C ATOM 1014 C GLY A 63 -8.008 -5.654 3.089 1.00 0.00 C ATOM 1015 O GLY A 63 -8.076 -6.687 2.422 1.00 0.00 O ATOM 0 H GLY A 63 -6.592 -3.499 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.271 -6.342 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.458 -5.541 5.166 1.00 0.00 H new ATOM 1019 N GLN A 64 -8.903 -4.677 3.011 1.00 0.00 N ATOM 1020 CA GLN A 64 -9.974 -4.683 2.029 1.00 0.00 C ATOM 1021 C GLN A 64 -9.411 -4.671 0.609 1.00 0.00 C ATOM 1022 O GLN A 64 -10.165 -4.783 -0.360 1.00 0.00 O ATOM 1023 CB GLN A 64 -10.964 -3.531 2.230 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.417 -3.951 2.126 1.00 0.00 C ATOM 1025 CD GLN A 64 -13.308 -2.870 1.567 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -13.965 -2.127 2.291 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.334 -2.788 0.238 1.00 0.00 N ATOM 0 H GLN A 64 -8.905 -3.863 3.625 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.531 -5.608 2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.793 -3.084 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.764 -2.758 1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.489 -4.836 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.778 -4.236 3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.771 -3.427 -0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.917 -2.086 -0.218 1.00 0.00 H new ATOM 1036 N LEU A 65 -8.137 -4.317 0.495 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.571 -3.844 -0.768 1.00 0.00 C ATOM 1038 C LEU A 65 -6.740 -4.957 -1.405 1.00 0.00 C ATOM 1039 O LEU A 65 -6.924 -5.274 -2.581 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.764 -2.572 -0.468 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.505 -1.625 -1.629 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.783 -0.913 -2.048 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.452 -0.609 -1.197 1.00 0.00 C ATOM 0 H LEU A 65 -7.470 -4.348 1.266 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.343 -3.591 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.286 -2.017 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.801 -2.872 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.149 -2.194 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.570 -0.242 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.525 -1.649 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.171 -0.337 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.253 0.080 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.817 -0.050 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.533 -1.130 -0.929 1.00 0.00 H new ATOM 1055 N GLN A 66 -6.153 -5.781 -0.530 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.277 -6.854 -0.969 1.00 0.00 C ATOM 1057 C GLN A 66 -6.063 -7.838 -1.876 1.00 0.00 C ATOM 1058 O GLN A 66 -5.881 -7.806 -3.114 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.634 -7.613 0.189 1.00 0.00 C ATOM 1060 CG GLN A 66 -3.130 -7.443 0.277 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.382 -8.753 0.230 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.476 -8.957 -0.573 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -2.811 -9.680 1.084 1.00 0.00 N ATOM 0 H GLN A 66 -6.273 -5.720 0.481 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.466 -6.391 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.083 -7.277 1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.864 -8.674 0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.793 -6.810 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.883 -6.923 1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.567 -9.464 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.383 -10.606 1.089 1.00 0.00 H new ATOM 1072 N PRO A 67 -7.195 -8.326 -1.330 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.284 -8.935 -2.141 1.00 0.00 C ATOM 1074 C PRO A 67 -8.702 -8.079 -3.333 1.00 0.00 C ATOM 1075 O PRO A 67 -8.660 -8.511 -4.484 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.431 -9.222 -1.182 1.00 0.00 C ATOM 1077 CG PRO A 67 -8.946 -9.008 0.222 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.646 -8.226 0.091 1.00 0.00 C ATOM 0 HA PRO A 67 -7.935 -9.857 -2.606 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.275 -8.566 -1.395 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.783 -10.246 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.679 -8.455 0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.782 -9.959 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.797 -7.184 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.888 -8.630 0.762 1.00 0.00 H new ATOM 1086 N SER A 68 -9.033 -6.825 -3.034 1.00 0.00 N ATOM 1087 CA SER A 68 -9.696 -5.961 -3.997 1.00 0.00 C ATOM 1088 C SER A 68 -8.798 -5.696 -5.200 1.00 0.00 C ATOM 1089 O SER A 68 -9.222 -5.042 -6.156 1.00 0.00 O ATOM 1090 CB SER A 68 -10.161 -4.658 -3.359 1.00 0.00 C ATOM 1091 OG SER A 68 -11.532 -4.716 -3.004 1.00 0.00 O ATOM 0 H SER A 68 -8.851 -6.388 -2.131 1.00 0.00 H new ATOM 0 HA SER A 68 -10.586 -6.484 -4.348 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.562 -4.452 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.998 -3.833 -4.053 1.00 0.00 H new ATOM 0 HG SER A 68 -11.616 -4.745 -2.028 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.510 -5.959 -5.019 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.506 -5.640 -6.021 1.00 0.00 C ATOM 1099 C LEU A 69 -6.687 -6.528 -7.254 1.00 0.00 C ATOM 1100 O LEU A 69 -6.851 -5.996 -8.363 1.00 0.00 O ATOM 1101 CB LEU A 69 -5.123 -5.787 -5.361 1.00 0.00 C ATOM 1102 CG LEU A 69 -4.764 -4.751 -4.310 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.451 -5.094 -3.621 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.663 -3.388 -4.990 1.00 0.00 C ATOM 0 H LEU A 69 -7.135 -6.397 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.608 -4.615 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.067 -6.774 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.365 -5.756 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.539 -4.735 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.222 -4.333 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.538 -6.065 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.651 -5.129 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.406 -2.630 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.891 -3.421 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.620 -3.138 -5.448 1.00 0.00 H new ATOM 1116 N GLN A 70 -7.144 -7.753 -6.988 1.00 0.00 N ATOM 1117 CA GLN A 70 -7.490 -8.691 -8.043 1.00 0.00 C ATOM 1118 C GLN A 70 -8.589 -8.114 -8.935 1.00 0.00 C ATOM 1119 O GLN A 70 -8.904 -8.672 -9.984 1.00 0.00 O ATOM 1120 CB GLN A 70 -7.874 -10.073 -7.515 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.214 -10.124 -6.809 1.00 0.00 C ATOM 1122 CD GLN A 70 -10.105 -11.234 -7.314 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -10.554 -12.099 -6.565 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.258 -11.277 -8.636 1.00 0.00 N ATOM 0 H GLN A 70 -7.282 -8.114 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.591 -8.837 -8.642 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.889 -10.775 -8.348 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.101 -10.413 -6.826 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.050 -10.255 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.723 -9.169 -6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.868 -10.536 -9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.765 -12.051 -9.066 1.00 0.00 H new ATOM 1133 N THR A 71 -9.250 -7.078 -8.426 1.00 0.00 N ATOM 1134 CA THR A 71 -10.534 -6.647 -8.979 1.00 0.00 C ATOM 1135 C THR A 71 -10.703 -5.138 -8.841 1.00 0.00 C ATOM 1136 O THR A 71 -11.712 -4.588 -9.314 1.00 0.00 O ATOM 1137 CB THR A 71 -11.729 -7.429 -8.292 1.00 0.00 C ATOM 1138 OG1 THR A 71 -12.961 -6.786 -8.725 1.00 0.00 O ATOM 1139 CG2 THR A 71 -11.615 -7.512 -6.769 1.00 0.00 C ATOM 0 H THR A 71 -8.922 -6.523 -7.636 1.00 0.00 H new ATOM 0 HA THR A 71 -10.549 -6.885 -10.043 1.00 0.00 H new ATOM 0 HB THR A 71 -11.708 -8.473 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.749 -6.054 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.468 -8.061 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.693 -8.028 -6.501 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.603 -6.506 -6.350 1.00 0.00 H new ATOM 1147 N GLY A 72 -9.562 -4.467 -8.665 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.495 -3.014 -8.729 1.00 0.00 C ATOM 1149 C GLY A 72 -8.744 -2.577 -9.981 1.00 0.00 C ATOM 1150 O GLY A 72 -9.344 -2.229 -10.995 1.00 0.00 O ATOM 0 H GLY A 72 -8.666 -4.917 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.502 -2.596 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.994 -2.626 -7.842 1.00 0.00 H new ATOM 1154 N SER A 73 -7.418 -2.637 -9.900 1.00 0.00 N ATOM 1155 CA SER A 73 -6.565 -2.446 -11.067 1.00 0.00 C ATOM 1156 C SER A 73 -5.092 -2.563 -10.656 1.00 0.00 C ATOM 1157 O SER A 73 -4.763 -2.351 -9.487 1.00 0.00 O ATOM 1158 CB SER A 73 -6.829 -1.115 -11.757 1.00 0.00 C ATOM 1159 OG SER A 73 -6.838 -0.044 -10.830 1.00 0.00 O ATOM 0 H SER A 73 -6.910 -2.817 -9.034 1.00 0.00 H new ATOM 0 HA SER A 73 -6.802 -3.228 -11.788 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.064 -0.937 -12.513 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.786 -1.156 -12.276 1.00 0.00 H new ATOM 0 HG SER A 73 -7.764 0.183 -10.601 1.00 0.00 H new ATOM 1165 N GLU A 74 -4.224 -2.588 -11.661 1.00 0.00 N ATOM 1166 CA GLU A 74 -2.813 -2.255 -11.473 1.00 0.00 C ATOM 1167 C GLU A 74 -2.680 -0.812 -10.985 1.00 0.00 C ATOM 1168 O GLU A 74 -1.769 -0.497 -10.218 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.112 -2.453 -12.821 1.00 0.00 C ATOM 1170 CG GLU A 74 -2.181 -1.545 -13.910 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.101 -1.636 -14.947 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -0.111 -2.339 -14.845 1.00 0.00 O ATOM 1173 OE2 GLU A 74 -1.340 -0.916 -15.941 1.00 0.00 O ATOM 0 H GLU A 74 -4.472 -2.836 -12.619 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.354 -2.896 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.052 -2.571 -12.594 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.464 -3.410 -13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.140 -1.687 -14.408 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.178 -0.532 -13.507 1.00 0.00 H new ATOM 1180 N GLU A 75 -3.790 -0.082 -11.121 1.00 0.00 N ATOM 1181 CA GLU A 75 -3.869 1.285 -10.631 1.00 0.00 C ATOM 1182 C GLU A 75 -4.218 1.298 -9.144 1.00 0.00 C ATOM 1183 O GLU A 75 -3.658 2.094 -8.384 1.00 0.00 O ATOM 1184 CB GLU A 75 -4.919 2.021 -11.468 1.00 0.00 C ATOM 1185 CG GLU A 75 -5.737 3.084 -11.009 1.00 0.00 C ATOM 1186 CD GLU A 75 -7.193 2.788 -10.803 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -7.660 2.326 -9.777 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -7.886 3.110 -11.792 1.00 0.00 O ATOM 0 H GLU A 75 -4.643 -0.420 -11.567 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.908 1.789 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.388 2.408 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.604 1.253 -11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.328 3.442 -10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.657 3.905 -11.722 1.00 0.00 H new ATOM 1195 N LEU A 76 -4.930 0.258 -8.712 1.00 0.00 N ATOM 1196 CA LEU A 76 -5.062 -0.045 -7.296 1.00 0.00 C ATOM 1197 C LEU A 76 -3.733 -0.556 -6.737 1.00 0.00 C ATOM 1198 O LEU A 76 -3.625 -0.780 -5.524 1.00 0.00 O ATOM 1199 CB LEU A 76 -6.228 -1.016 -7.089 1.00 0.00 C ATOM 1200 CG LEU A 76 -7.202 -0.744 -5.960 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -8.107 -1.948 -5.712 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.442 -0.412 -4.680 1.00 0.00 C ATOM 0 H LEU A 76 -5.424 -0.388 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.298 0.858 -6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.798 -1.053 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.808 -2.010 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.822 0.104 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.795 -1.724 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.675 -2.169 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.498 -2.812 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.151 -0.218 -3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.804 -1.253 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.826 0.473 -4.842 1.00 0.00 H new ATOM 1214 N ARG A 77 -2.930 -1.120 -7.638 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.645 -1.688 -7.261 1.00 0.00 C ATOM 1216 C ARG A 77 -0.688 -0.581 -6.818 1.00 0.00 C ATOM 1217 O ARG A 77 -0.072 -0.678 -5.757 1.00 0.00 O ATOM 1218 CB ARG A 77 -1.015 -2.492 -8.404 1.00 0.00 C ATOM 1219 CG ARG A 77 -0.130 -3.647 -7.956 1.00 0.00 C ATOM 1220 CD ARG A 77 0.070 -4.642 -9.049 1.00 0.00 C ATOM 1221 NE ARG A 77 1.311 -5.386 -8.892 1.00 0.00 N ATOM 1222 CZ ARG A 77 1.441 -6.427 -8.068 1.00 0.00 C ATOM 1223 NH1 ARG A 77 0.495 -6.740 -7.187 1.00 0.00 N ATOM 1224 NH2 ARG A 77 2.569 -7.138 -8.090 1.00 0.00 N ATOM 0 H ARG A 77 -3.150 -1.194 -8.631 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.823 -2.372 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.812 -2.886 -9.035 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.423 -1.817 -9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.837 -3.261 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.581 -4.138 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.769 -5.337 -9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.075 -4.128 -10.010 1.00 0.00 H new ATOM 0 HE ARG A 77 2.122 -5.097 -9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.355 -6.179 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.619 -7.541 -6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.320 -6.884 -8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.681 -7.936 -7.465 1.00 0.00 H new ATOM 1238 N SER A 78 -0.838 0.572 -7.468 1.00 0.00 N ATOM 1239 CA SER A 78 -0.124 1.777 -7.073 1.00 0.00 C ATOM 1240 C SER A 78 -0.713 2.351 -5.789 1.00 0.00 C ATOM 1241 O SER A 78 0.004 2.846 -4.922 1.00 0.00 O ATOM 1242 CB SER A 78 -0.119 2.815 -8.189 1.00 0.00 C ATOM 1243 OG SER A 78 0.447 4.038 -7.757 1.00 0.00 O ATOM 0 H SER A 78 -1.451 0.693 -8.274 1.00 0.00 H new ATOM 0 HA SER A 78 0.914 1.504 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.444 2.433 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.139 2.986 -8.533 1.00 0.00 H new ATOM 0 HG SER A 78 -0.140 4.779 -8.014 1.00 0.00 H new ATOM 1249 N LEU A 79 -2.034 2.261 -5.683 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.730 2.603 -4.451 1.00 0.00 C ATOM 1251 C LEU A 79 -2.273 1.694 -3.313 1.00 0.00 C ATOM 1252 O LEU A 79 -1.711 2.171 -2.321 1.00 0.00 O ATOM 1253 CB LEU A 79 -4.239 2.548 -4.726 1.00 0.00 C ATOM 1254 CG LEU A 79 -4.920 3.830 -5.166 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -4.129 4.540 -6.254 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -6.317 3.489 -5.684 1.00 0.00 C ATOM 0 H LEU A 79 -2.645 1.953 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.490 3.615 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.413 1.794 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.733 2.199 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.982 4.503 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.648 5.454 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.137 4.790 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.035 3.886 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.819 4.402 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.235 2.805 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.895 3.017 -4.889 1.00 0.00 H new ATOM 1268 N TYR A 80 -2.220 0.398 -3.613 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.867 -0.601 -2.617 1.00 0.00 C ATOM 1270 C TYR A 80 -0.423 -0.403 -2.157 1.00 0.00 C ATOM 1271 O TYR A 80 -0.138 -0.439 -0.961 1.00 0.00 O ATOM 1272 CB TYR A 80 -2.074 -2.030 -3.161 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.675 -3.125 -2.197 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.476 -3.454 -1.098 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.417 -3.723 -2.291 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -2.127 -4.501 -0.245 1.00 0.00 C ATOM 1277 CE2 TYR A 80 -0.025 -4.724 -1.409 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.879 -5.107 -0.383 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.428 -6.037 0.513 1.00 0.00 O ATOM 0 H TYR A 80 -2.418 0.019 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.528 -0.473 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.124 -2.158 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.499 -2.143 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.377 -2.890 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.265 -3.402 -3.064 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.816 -4.839 0.515 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.938 -5.201 -1.521 1.00 0.00 H new ATOM 0 HH TYR A 80 0.208 -6.637 0.070 1.00 0.00 H new ATOM 1289 N ASN A 81 0.488 -0.499 -3.124 1.00 0.00 N ATOM 1290 CA ASN A 81 1.913 -0.539 -2.845 1.00 0.00 C ATOM 1291 C ASN A 81 2.349 0.738 -2.122 1.00 0.00 C ATOM 1292 O ASN A 81 2.916 0.653 -1.025 1.00 0.00 O ATOM 1293 CB ASN A 81 2.731 -0.862 -4.092 1.00 0.00 C ATOM 1294 CG ASN A 81 2.850 0.305 -5.053 1.00 0.00 C ATOM 1295 OD1 ASN A 81 2.046 1.249 -5.000 1.00 0.00 O ATOM 1296 ND2 ASN A 81 3.916 0.306 -5.853 1.00 0.00 N ATOM 0 H ASN A 81 0.256 -0.551 -4.116 1.00 0.00 H new ATOM 0 HA ASN A 81 2.116 -1.365 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.730 -1.178 -3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.273 -1.704 -4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.099 1.107 -6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.548 -0.494 -5.861 1.00 0.00 H new ATOM 1303 N THR A 82 1.664 1.830 -2.479 1.00 0.00 N ATOM 1304 CA THR A 82 1.906 3.116 -1.839 1.00 0.00 C ATOM 1305 C THR A 82 1.053 3.256 -0.579 1.00 0.00 C ATOM 1306 O THR A 82 1.437 3.968 0.352 1.00 0.00 O ATOM 1307 CB THR A 82 1.649 4.320 -2.835 1.00 0.00 C ATOM 1308 OG1 THR A 82 2.608 4.184 -3.923 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.754 5.698 -2.166 1.00 0.00 C ATOM 0 H THR A 82 0.945 1.844 -3.202 1.00 0.00 H new ATOM 0 HA THR A 82 2.956 3.153 -1.550 1.00 0.00 H new ATOM 0 HB THR A 82 0.624 4.269 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.164 3.391 -3.772 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.567 6.477 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.016 5.772 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.753 5.825 -1.750 1.00 0.00 H new ATOM 1317 N ILE A 83 0.138 2.301 -0.429 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.660 2.190 0.795 1.00 0.00 C ATOM 1319 C ILE A 83 0.122 1.429 1.849 1.00 0.00 C ATOM 1320 O ILE A 83 0.321 1.923 2.962 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.081 1.643 0.464 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -2.998 2.869 0.100 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.760 0.771 1.533 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.238 3.814 1.301 1.00 0.00 C ATOM 0 H ILE A 83 -0.071 1.595 -1.135 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.846 3.168 1.239 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.943 0.951 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.539 3.431 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.957 2.504 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.741 0.457 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.146 -0.108 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.875 1.345 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.877 4.641 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.723 3.263 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.283 4.205 1.653 1.00 0.00 H new ATOM 1336 N ALA A 84 0.744 0.326 1.428 1.00 0.00 N ATOM 1337 CA ALA A 84 1.453 -0.542 2.352 1.00 0.00 C ATOM 1338 C ALA A 84 2.683 0.182 2.915 1.00 0.00 C ATOM 1339 O ALA A 84 2.740 0.349 4.152 1.00 0.00 O ATOM 1340 CB ALA A 84 1.840 -1.859 1.703 1.00 0.00 C ATOM 0 H ALA A 84 0.768 0.019 0.456 1.00 0.00 H new ATOM 0 HA ALA A 84 0.781 -0.781 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.368 -2.480 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.942 -2.377 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.488 -1.667 0.848 1.00 0.00 H new ATOM 1346 N VAL A 85 3.264 1.033 2.068 1.00 0.00 N ATOM 1347 CA VAL A 85 4.271 1.989 2.513 1.00 0.00 C ATOM 1348 C VAL A 85 3.663 2.930 3.559 1.00 0.00 C ATOM 1349 O VAL A 85 4.340 3.251 4.541 1.00 0.00 O ATOM 1350 CB VAL A 85 4.931 2.701 1.324 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.810 3.881 1.733 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.724 1.729 0.457 1.00 0.00 C ATOM 0 H VAL A 85 3.053 1.077 1.071 1.00 0.00 H new ATOM 0 HA VAL A 85 5.089 1.464 3.007 1.00 0.00 H new ATOM 0 HB VAL A 85 4.107 3.108 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.244 4.337 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.206 4.619 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.608 3.531 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.177 2.269 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.506 1.263 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.056 0.959 0.069 1.00 0.00 H new ATOM 1362 N LEU A 86 2.610 3.629 3.142 1.00 0.00 N ATOM 1363 CA LEU A 86 2.033 4.689 3.950 1.00 0.00 C ATOM 1364 C LEU A 86 1.513 4.115 5.278 1.00 0.00 C ATOM 1365 O LEU A 86 1.709 4.744 6.323 1.00 0.00 O ATOM 1366 CB LEU A 86 0.975 5.425 3.131 1.00 0.00 C ATOM 1367 CG LEU A 86 0.520 6.791 3.614 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.689 7.657 4.060 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.227 7.483 2.475 1.00 0.00 C ATOM 0 H LEU A 86 2.142 3.477 2.248 1.00 0.00 H new ATOM 0 HA LEU A 86 2.787 5.428 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.359 5.540 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.096 4.784 3.068 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.130 6.653 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.317 8.625 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.215 7.165 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.374 7.803 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.562 8.467 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.438 7.594 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.091 6.883 2.189 1.00 0.00 H new ATOM 1381 N TYR A 87 1.368 2.782 5.263 1.00 0.00 N ATOM 1382 CA TYR A 87 1.257 2.001 6.482 1.00 0.00 C ATOM 1383 C TYR A 87 2.614 1.845 7.156 1.00 0.00 C ATOM 1384 O TYR A 87 2.754 2.052 8.360 1.00 0.00 O ATOM 1385 CB TYR A 87 0.590 0.635 6.245 1.00 0.00 C ATOM 1386 CG TYR A 87 0.022 0.032 7.537 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.856 -0.105 8.655 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.355 0.121 7.768 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.330 -0.407 9.911 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -1.897 -0.132 9.025 1.00 0.00 C ATOM 1391 CZ TYR A 87 -1.053 -0.439 10.084 1.00 0.00 C ATOM 1392 OH TYR A 87 -1.621 -0.716 11.296 1.00 0.00 O ATOM 0 H TYR A 87 1.326 2.228 4.408 1.00 0.00 H new ATOM 0 HA TYR A 87 0.604 2.555 7.156 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.212 0.747 5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.318 -0.053 5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.922 0.025 8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.011 0.392 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.988 -0.614 10.742 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.966 -0.090 9.175 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.597 -0.690 11.213 1.00 0.00 H new ATOM 1402 N CYS A 88 3.620 1.534 6.352 1.00 0.00 N ATOM 1403 CA CYS A 88 4.978 1.325 6.838 1.00 0.00 C ATOM 1404 C CYS A 88 5.485 2.584 7.552 1.00 0.00 C ATOM 1405 O CYS A 88 5.946 2.508 8.692 1.00 0.00 O ATOM 1406 CB CYS A 88 5.903 0.959 5.676 1.00 0.00 C ATOM 1407 SG CYS A 88 6.913 -0.512 5.906 1.00 0.00 S ATOM 0 H CYS A 88 3.519 1.419 5.344 1.00 0.00 H new ATOM 0 HA CYS A 88 4.974 0.501 7.551 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.294 0.822 4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.565 1.804 5.484 1.00 0.00 H new ATOM 0 HG CYS A 88 6.394 -1.253 6.840 1.00 0.00 H new ATOM 1412 N VAL A 89 5.012 3.726 7.053 1.00 0.00 N ATOM 1413 CA VAL A 89 5.498 5.013 7.540 1.00 0.00 C ATOM 1414 C VAL A 89 4.732 5.412 8.800 1.00 0.00 C ATOM 1415 O VAL A 89 5.317 5.433 9.898 1.00 0.00 O ATOM 1416 CB VAL A 89 5.435 6.067 6.417 1.00 0.00 C ATOM 1417 CG1 VAL A 89 6.198 7.340 6.765 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.907 5.503 5.086 1.00 0.00 C ATOM 0 H VAL A 89 4.303 3.785 6.322 1.00 0.00 H new ATOM 0 HA VAL A 89 6.547 4.937 7.825 1.00 0.00 H new ATOM 0 HB VAL A 89 4.384 6.338 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.121 8.048 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.773 7.784 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.247 7.099 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.847 6.277 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.939 5.164 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.274 4.663 4.802 1.00 0.00 H new ATOM 1428 N HIS A 90 3.408 5.284 8.710 1.00 0.00 N ATOM 1429 CA HIS A 90 2.536 5.714 9.792 1.00 0.00 C ATOM 1430 C HIS A 90 2.824 4.904 11.057 1.00 0.00 C ATOM 1431 O HIS A 90 2.535 5.347 12.166 1.00 0.00 O ATOM 1432 CB HIS A 90 1.028 5.601 9.467 1.00 0.00 C ATOM 1433 CG HIS A 90 0.612 6.475 8.320 1.00 0.00 C ATOM 1434 ND1 HIS A 90 0.978 7.790 8.184 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.375 6.268 7.406 1.00 0.00 C ATOM 1436 CE1 HIS A 90 0.377 8.296 7.117 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.451 7.397 6.634 1.00 0.00 N ATOM 0 H HIS A 90 2.923 4.889 7.904 1.00 0.00 H new ATOM 0 HA HIS A 90 2.756 6.771 9.941 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.788 4.564 9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.450 5.870 10.351 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.610 8.296 8.804 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.983 5.381 7.308 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.540 9.284 6.711 1.00 0.00 H new ATOM 1446 N GLN A 91 3.137 3.628 10.841 1.00 0.00 N ATOM 1447 CA GLN A 91 3.445 2.722 11.937 1.00 0.00 C ATOM 1448 C GLN A 91 4.684 3.214 12.694 1.00 0.00 C ATOM 1449 O GLN A 91 4.743 3.112 13.922 1.00 0.00 O ATOM 1450 CB GLN A 91 3.624 1.276 11.474 1.00 0.00 C ATOM 1451 CG GLN A 91 3.964 0.306 12.587 1.00 0.00 C ATOM 1452 CD GLN A 91 2.976 0.342 13.728 1.00 0.00 C ATOM 1453 OE1 GLN A 91 1.846 0.806 13.595 1.00 0.00 O ATOM 1454 NE2 GLN A 91 3.458 -0.055 14.904 1.00 0.00 N ATOM 0 H GLN A 91 3.183 3.201 9.916 1.00 0.00 H new ATOM 0 HA GLN A 91 2.589 2.725 12.612 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.706 0.946 10.987 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.413 1.242 10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.003 -0.705 12.180 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.959 0.535 12.969 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.403 -0.434 14.966 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.882 0.020 15.743 1.00 0.00 H new ATOM 1463 N ARG A 92 5.778 3.321 11.936 1.00 0.00 N ATOM 1464 CA ARG A 92 7.123 3.352 12.477 1.00 0.00 C ATOM 1465 C ARG A 92 8.141 3.240 11.322 1.00 0.00 C ATOM 1466 O ARG A 92 9.244 3.778 11.431 1.00 0.00 O ATOM 1467 CB ARG A 92 7.392 2.209 13.465 1.00 0.00 C ATOM 1468 CG ARG A 92 8.038 2.632 14.774 1.00 0.00 C ATOM 1469 CD ARG A 92 9.289 3.413 14.551 1.00 0.00 C ATOM 1470 NE ARG A 92 9.557 4.342 15.640 1.00 0.00 N ATOM 1471 CZ ARG A 92 9.709 3.956 16.908 1.00 0.00 C ATOM 1472 NH1 ARG A 92 9.833 2.673 17.234 1.00 0.00 N ATOM 1473 NH2 ARG A 92 9.797 4.882 17.863 1.00 0.00 N ATOM 0 H ARG A 92 5.746 3.389 10.919 1.00 0.00 H new ATOM 0 HA ARG A 92 7.227 4.295 13.014 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.448 1.711 13.687 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.035 1.474 12.981 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.333 3.232 15.349 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.264 1.748 15.370 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.130 2.727 14.445 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.209 3.966 13.615 1.00 0.00 H new ATOM 0 HE ARG A 92 9.632 5.336 15.423 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.813 1.958 16.507 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.948 2.404 18.211 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.748 5.871 17.620 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.913 4.601 18.837 1.00 0.00 H new ATOM 1487 N ILE A 93 7.942 2.162 10.557 1.00 0.00 N ATOM 1488 CA ILE A 93 8.933 1.696 9.599 1.00 0.00 C ATOM 1489 C ILE A 93 9.195 2.768 8.547 1.00 0.00 C ATOM 1490 O ILE A 93 8.287 3.492 8.140 1.00 0.00 O ATOM 1491 CB ILE A 93 8.436 0.347 8.943 1.00 0.00 C ATOM 1492 CG1 ILE A 93 7.938 -0.602 10.067 1.00 0.00 C ATOM 1493 CG2 ILE A 93 9.488 -0.316 8.038 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.415 -0.523 10.335 1.00 0.00 C ATOM 0 H ILE A 93 7.094 1.596 10.588 1.00 0.00 H new ATOM 0 HA ILE A 93 9.876 1.502 10.110 1.00 0.00 H new ATOM 0 HB ILE A 93 7.609 0.577 8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.196 -1.627 9.803 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.471 -0.367 10.988 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.081 -1.237 7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.752 0.364 7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.379 -0.546 8.623 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.150 -1.216 11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.150 0.492 10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.872 -0.789 9.428 1.00 0.00 H new ATOM 1506 N ASP A 94 10.449 2.863 8.110 1.00 0.00 N ATOM 1507 CA ASP A 94 10.764 3.548 6.862 1.00 0.00 C ATOM 1508 C ASP A 94 11.344 2.564 5.849 1.00 0.00 C ATOM 1509 O ASP A 94 12.133 1.688 6.205 1.00 0.00 O ATOM 1510 CB ASP A 94 11.621 4.788 7.086 1.00 0.00 C ATOM 1511 CG ASP A 94 12.976 4.486 7.695 1.00 0.00 C ATOM 1512 OD1 ASP A 94 13.924 4.119 6.987 1.00 0.00 O ATOM 1513 OD2 ASP A 94 13.062 4.598 8.938 1.00 0.00 O ATOM 0 H ASP A 94 11.257 2.477 8.599 1.00 0.00 H new ATOM 0 HA ASP A 94 9.839 3.931 6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.765 5.297 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.084 5.478 7.738 1.00 0.00 H new ATOM 1518 N VAL A 95 11.244 2.961 4.571 1.00 0.00 N ATOM 1519 CA VAL A 95 11.598 2.033 3.493 1.00 0.00 C ATOM 1520 C VAL A 95 12.343 2.765 2.387 1.00 0.00 C ATOM 1521 O VAL A 95 12.786 3.901 2.571 1.00 0.00 O ATOM 1522 CB VAL A 95 10.364 1.231 3.061 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.537 0.758 4.261 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.483 1.978 2.074 1.00 0.00 C ATOM 0 H VAL A 95 10.933 3.884 4.268 1.00 0.00 H new ATOM 0 HA VAL A 95 12.306 1.281 3.841 1.00 0.00 H new ATOM 0 HB VAL A 95 10.755 0.354 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.673 0.194 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.151 0.121 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.198 1.622 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.627 1.357 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.132 2.904 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.057 2.209 1.177 1.00 0.00 H new ATOM 1534 N LYS A 96 12.771 1.978 1.393 1.00 0.00 N ATOM 1535 CA LYS A 96 13.545 2.512 0.282 1.00 0.00 C ATOM 1536 C LYS A 96 12.732 2.399 -1.014 1.00 0.00 C ATOM 1537 O LYS A 96 12.168 3.400 -1.469 1.00 0.00 O ATOM 1538 CB LYS A 96 14.869 1.773 0.096 1.00 0.00 C ATOM 1539 CG LYS A 96 15.483 1.258 1.399 1.00 0.00 C ATOM 1540 CD LYS A 96 16.726 2.022 1.815 1.00 0.00 C ATOM 1541 CE LYS A 96 17.997 1.337 1.534 1.00 0.00 C ATOM 1542 NZ LYS A 96 18.403 1.506 0.115 1.00 0.00 N ATOM 0 H LYS A 96 12.592 0.975 1.341 1.00 0.00 H new ATOM 0 HA LYS A 96 13.765 3.555 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.711 0.930 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.581 2.440 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.740 1.324 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 96 15.734 0.204 1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.729 2.986 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.669 2.226 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.776 1.731 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 96 17.898 0.276 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.303 1.011 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.670 1.107 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.521 2.518 -0.094 1.00 0.00 H new ATOM 1556 N ASP A 97 12.295 1.160 -1.262 1.00 0.00 N ATOM 1557 CA ASP A 97 11.408 0.881 -2.387 1.00 0.00 C ATOM 1558 C ASP A 97 10.101 0.270 -1.887 1.00 0.00 C ATOM 1559 O ASP A 97 10.053 -0.293 -0.789 1.00 0.00 O ATOM 1560 CB ASP A 97 12.118 0.069 -3.465 1.00 0.00 C ATOM 1561 CG ASP A 97 12.248 -1.405 -3.134 1.00 0.00 C ATOM 1562 OD1 ASP A 97 12.291 -1.790 -1.956 1.00 0.00 O ATOM 1563 OD2 ASP A 97 12.252 -2.193 -4.105 1.00 0.00 O ATOM 0 H ASP A 97 12.540 0.343 -0.702 1.00 0.00 H new ATOM 0 HA ASP A 97 11.134 1.814 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.574 0.175 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.113 0.485 -3.624 1.00 0.00 H new ATOM 1568 N THR A 98 9.207 0.028 -2.855 1.00 0.00 N ATOM 1569 CA THR A 98 7.888 -0.515 -2.527 1.00 0.00 C ATOM 1570 C THR A 98 8.020 -1.888 -1.880 1.00 0.00 C ATOM 1571 O THR A 98 7.137 -2.291 -1.114 1.00 0.00 O ATOM 1572 CB THR A 98 6.931 -0.502 -3.775 1.00 0.00 C ATOM 1573 OG1 THR A 98 5.606 -0.127 -3.257 1.00 0.00 O ATOM 1574 CG2 THR A 98 6.874 -1.763 -4.625 1.00 0.00 C ATOM 0 H THR A 98 9.369 0.196 -3.848 1.00 0.00 H new ATOM 0 HA THR A 98 7.416 0.134 -1.789 1.00 0.00 H new ATOM 0 HB THR A 98 7.335 0.211 -4.494 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.385 -0.690 -2.486 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.176 -1.615 -5.449 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.866 -1.979 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.539 -2.600 -4.012 1.00 0.00 H new ATOM 1582 N LYS A 99 8.873 -2.714 -2.482 1.00 0.00 N ATOM 1583 CA LYS A 99 8.969 -4.121 -2.129 1.00 0.00 C ATOM 1584 C LYS A 99 9.624 -4.281 -0.759 1.00 0.00 C ATOM 1585 O LYS A 99 9.299 -5.212 -0.019 1.00 0.00 O ATOM 1586 CB LYS A 99 9.772 -4.919 -3.158 1.00 0.00 C ATOM 1587 CG LYS A 99 8.977 -5.296 -4.410 1.00 0.00 C ATOM 1588 CD LYS A 99 7.710 -6.070 -4.099 1.00 0.00 C ATOM 1589 CE LYS A 99 6.460 -5.384 -4.465 1.00 0.00 C ATOM 1590 NZ LYS A 99 6.135 -5.577 -5.900 1.00 0.00 N ATOM 0 H LYS A 99 9.512 -2.425 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 99 7.952 -4.512 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.644 -4.336 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.143 -5.830 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.717 -4.389 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.608 -5.893 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.749 -7.027 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.688 -6.289 -3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.643 -5.763 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.552 -4.319 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.249 -5.081 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.905 -5.193 -6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.023 -6.592 -6.097 1.00 0.00 H new ATOM 1604 N GLU A 100 10.253 -3.193 -0.310 1.00 0.00 N ATOM 1605 CA GLU A 100 10.937 -3.187 0.974 1.00 0.00 C ATOM 1606 C GLU A 100 9.962 -2.826 2.094 1.00 0.00 C ATOM 1607 O GLU A 100 9.851 -3.552 3.082 1.00 0.00 O ATOM 1608 CB GLU A 100 12.081 -2.171 0.885 1.00 0.00 C ATOM 1609 CG GLU A 100 12.831 -1.700 1.994 1.00 0.00 C ATOM 1610 CD GLU A 100 12.946 -2.611 3.179 1.00 0.00 C ATOM 1611 OE1 GLU A 100 12.584 -3.776 3.186 1.00 0.00 O ATOM 1612 OE2 GLU A 100 13.432 -2.033 4.174 1.00 0.00 O ATOM 0 H GLU A 100 10.300 -2.310 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 100 11.336 -4.175 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.806 -2.594 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.661 -1.286 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.838 -1.468 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.386 -0.763 2.330 1.00 0.00 H new ATOM 1619 N ALA A 101 9.111 -1.844 1.814 1.00 0.00 N ATOM 1620 CA ALA A 101 7.903 -1.620 2.600 1.00 0.00 C ATOM 1621 C ALA A 101 6.996 -2.844 2.535 1.00 0.00 C ATOM 1622 O ALA A 101 6.820 -3.558 3.525 1.00 0.00 O ATOM 1623 CB ALA A 101 7.175 -0.372 2.115 1.00 0.00 C ATOM 0 H ALA A 101 9.237 -1.187 1.044 1.00 0.00 H new ATOM 0 HA ALA A 101 8.186 -1.461 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.276 -0.220 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.829 0.494 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.898 -0.496 1.068 1.00 0.00 H new ATOM 1629 N LEU A 102 6.635 -3.224 1.311 1.00 0.00 N ATOM 1630 CA LEU A 102 5.574 -4.198 1.106 1.00 0.00 C ATOM 1631 C LEU A 102 5.954 -5.539 1.747 1.00 0.00 C ATOM 1632 O LEU A 102 5.090 -6.163 2.380 1.00 0.00 O ATOM 1633 CB LEU A 102 5.294 -4.297 -0.400 1.00 0.00 C ATOM 1634 CG LEU A 102 4.052 -5.064 -0.824 1.00 0.00 C ATOM 1635 CD1 LEU A 102 2.832 -4.617 -0.033 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.824 -4.836 -2.315 1.00 0.00 C ATOM 0 H LEU A 102 7.061 -2.873 0.453 1.00 0.00 H new ATOM 0 HA LEU A 102 4.652 -3.886 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.219 -3.285 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.158 -4.762 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 102 4.202 -6.125 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.960 -5.183 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.003 -4.792 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.658 -3.554 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.935 -5.380 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.685 -3.771 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.689 -5.193 -2.874 1.00 0.00 H new ATOM 1648 N ASP A 103 7.256 -5.692 1.976 1.00 0.00 N ATOM 1649 CA ASP A 103 7.772 -6.796 2.772 1.00 0.00 C ATOM 1650 C ASP A 103 7.441 -6.585 4.248 1.00 0.00 C ATOM 1651 O ASP A 103 6.463 -7.154 4.748 1.00 0.00 O ATOM 1652 CB ASP A 103 9.247 -7.057 2.494 1.00 0.00 C ATOM 1653 CG ASP A 103 9.674 -8.482 2.797 1.00 0.00 C ATOM 1654 OD1 ASP A 103 9.568 -9.303 1.860 1.00 0.00 O ATOM 1655 OD2 ASP A 103 10.153 -8.778 3.902 1.00 0.00 O ATOM 0 H ASP A 103 7.973 -5.061 1.619 1.00 0.00 H new ATOM 0 HA ASP A 103 7.269 -7.715 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.456 -6.838 1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 103 9.849 -6.371 3.090 1.00 0.00 H new ATOM 1660 N LYS A 104 7.982 -5.498 4.797 1.00 0.00 N ATOM 1661 CA LYS A 104 7.782 -5.158 6.193 1.00 0.00 C ATOM 1662 C LYS A 104 6.297 -4.993 6.513 1.00 0.00 C ATOM 1663 O LYS A 104 5.858 -5.316 7.620 1.00 0.00 O ATOM 1664 CB LYS A 104 8.504 -3.859 6.571 1.00 0.00 C ATOM 1665 CG LYS A 104 9.121 -3.878 7.967 1.00 0.00 C ATOM 1666 CD LYS A 104 10.575 -3.443 7.985 1.00 0.00 C ATOM 1667 CE LYS A 104 11.551 -4.543 7.987 1.00 0.00 C ATOM 1668 NZ LYS A 104 11.316 -5.482 6.862 1.00 0.00 N ATOM 0 H LYS A 104 8.566 -4.837 4.285 1.00 0.00 H new ATOM 0 HA LYS A 104 8.197 -5.983 6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.289 -3.665 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.798 -3.031 6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.545 -3.223 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.045 -4.885 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.761 -2.813 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.743 -2.826 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.560 -4.136 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.490 -5.083 8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.098 -6.166 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.421 -5.989 7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.264 -4.949 5.970 1.00 0.00 H new ATOM 1682 N ILE A 105 5.512 -4.838 5.447 1.00 0.00 N ATOM 1683 CA ILE A 105 4.071 -4.659 5.591 1.00 0.00 C ATOM 1684 C ILE A 105 3.386 -6.024 5.677 1.00 0.00 C ATOM 1685 O ILE A 105 3.168 -6.492 6.823 1.00 0.00 O ATOM 1686 CB ILE A 105 3.512 -3.748 4.447 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.169 -2.334 4.588 1.00 0.00 C ATOM 1688 CG2 ILE A 105 1.972 -3.627 4.434 1.00 0.00 C ATOM 1689 CD1 ILE A 105 3.748 -1.598 5.886 1.00 0.00 C ATOM 0 H ILE A 105 5.847 -4.833 4.484 1.00 0.00 H new ATOM 0 HA ILE A 105 3.851 -4.137 6.522 1.00 0.00 H new ATOM 0 HB ILE A 105 3.770 -4.216 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.254 -2.440 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.896 -1.725 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.665 -2.980 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.531 -4.615 4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.633 -3.201 5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.236 -0.624 5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.666 -1.463 5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.045 -2.189 6.752 1.00 0.00 H new ATOM 1701 N GLU A 106 3.715 -6.862 4.679 1.00 0.00 N ATOM 1702 CA GLU A 106 3.181 -8.214 4.633 1.00 0.00 C ATOM 1703 C GLU A 106 3.697 -9.043 5.809 1.00 0.00 C ATOM 1704 O GLU A 106 3.060 -10.020 6.205 1.00 0.00 O ATOM 1705 CB GLU A 106 3.601 -8.842 3.297 1.00 0.00 C ATOM 1706 CG GLU A 106 2.834 -9.798 2.580 1.00 0.00 C ATOM 1707 CD GLU A 106 2.960 -9.795 1.086 1.00 0.00 C ATOM 1708 OE1 GLU A 106 4.130 -10.026 0.710 1.00 0.00 O ATOM 1709 OE2 GLU A 106 2.049 -9.521 0.323 1.00 0.00 O ATOM 0 H GLU A 106 4.339 -6.623 3.909 1.00 0.00 H new ATOM 0 HA GLU A 106 2.094 -8.190 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.764 -8.011 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.572 -9.305 3.473 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.108 -10.790 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.784 -9.646 2.831 1.00 0.00 H new