USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 642 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 73 HIS : no HD1:sc= -3.27! K(o=-3.8!,f=-1.1) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -179:sc= -0.553 (180deg=-0.0351) USER MOD Set 2.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 SER OG : rot -76:sc= 0.0113 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.23 K(o=-0.23,f=-2!) USER MOD Single : A 19 ASN : amide:sc= -14.5! C(o=-14!,f=-9.7!) USER MOD Single : A 20 SER OG : rot -42:sc= 0.929 USER MOD Single : A 21 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -35:sc= -3.3! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.86 K(o=-2.9,f=-0.56) USER MOD Single : A 33 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-6.8!) USER MOD Single : A 35 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-4!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.0195 K(o=-0.02,f=-0.93) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 55:sc= 0.593 USER MOD Single : A 55 CYS SG : rot 81:sc= -3.01! USER MOD Single : A 65 HIS : no HD1:sc= -0.826 K(o=-0.83,f=-0.15) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= -0.0116 (180deg=-0.0528) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.109 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -134:sc= -1.2 (180deg=-3.21!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 16:sc= 0.668 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -2.819 -10.682 7.075 1.00 0.00 N ATOM 137 CA TYR A 13 -2.056 -11.164 5.930 1.00 0.00 C ATOM 138 C TYR A 13 -2.832 -10.960 4.633 1.00 0.00 C ATOM 139 O TYR A 13 -3.782 -11.688 4.342 1.00 0.00 O ATOM 140 CB TYR A 13 -1.714 -12.644 6.105 1.00 0.00 C ATOM 141 CG TYR A 13 -2.829 -13.454 6.728 1.00 0.00 C ATOM 142 CD1 TYR A 13 -3.842 -13.996 5.946 1.00 0.00 C ATOM 143 CD2 TYR A 13 -2.870 -13.677 8.099 1.00 0.00 C ATOM 144 CE1 TYR A 13 -4.863 -14.735 6.511 1.00 0.00 C ATOM 145 CE2 TYR A 13 -3.886 -14.416 8.672 1.00 0.00 C ATOM 146 CZ TYR A 13 -4.880 -14.943 7.875 1.00 0.00 C ATOM 147 OH TYR A 13 -5.895 -15.680 8.441 1.00 0.00 O ATOM 0 HA TYR A 13 -1.132 -10.589 5.874 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.468 -13.069 5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.822 -12.731 6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.831 -13.837 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.094 -13.265 8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.643 -15.148 5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.902 -14.580 9.739 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.759 -15.734 9.410 1.00 0.00 H new ATOM 157 N LEU A 14 -2.421 -9.964 3.856 1.00 0.00 N ATOM 158 CA LEU A 14 -3.076 -9.662 2.588 1.00 0.00 C ATOM 159 C LEU A 14 -2.299 -10.257 1.418 1.00 0.00 C ATOM 160 O LEU A 14 -1.132 -10.622 1.557 1.00 0.00 O ATOM 161 CB LEU A 14 -3.211 -8.149 2.408 1.00 0.00 C ATOM 162 CG LEU A 14 -4.349 -7.480 3.180 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.349 -5.979 2.937 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.689 -8.086 2.787 1.00 0.00 C ATOM 0 H LEU A 14 -1.637 -9.352 4.082 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.070 -10.110 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.272 -7.683 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.347 -7.940 1.347 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.192 -7.655 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.166 -5.520 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.401 -5.557 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.481 -5.783 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.487 -7.598 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.854 -7.943 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.687 -9.152 3.014 1.00 0.00 H new ATOM 176 N ASN A 15 -2.953 -10.349 0.265 1.00 0.00 N ATOM 177 CA ASN A 15 -2.323 -10.898 -0.930 1.00 0.00 C ATOM 178 C ASN A 15 -1.782 -9.783 -1.821 1.00 0.00 C ATOM 179 O ASN A 15 -2.545 -9.063 -2.465 1.00 0.00 O ATOM 180 CB ASN A 15 -3.322 -11.752 -1.713 1.00 0.00 C ATOM 181 CG ASN A 15 -3.383 -13.180 -1.207 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.408 -13.700 -0.664 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.532 -13.822 -1.384 1.00 0.00 N ATOM 0 H ASN A 15 -3.919 -10.050 0.133 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.489 -11.525 -0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.313 -11.302 -1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.046 -11.755 -2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.632 -14.786 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.314 -13.352 -1.839 1.00 0.00 H new ATOM 190 N VAL A 16 -0.460 -9.648 -1.853 1.00 0.00 N ATOM 191 CA VAL A 16 0.184 -8.623 -2.666 1.00 0.00 C ATOM 192 C VAL A 16 0.678 -9.199 -3.988 1.00 0.00 C ATOM 193 O VAL A 16 1.652 -9.952 -4.024 1.00 0.00 O ATOM 194 CB VAL A 16 1.371 -7.981 -1.923 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.994 -6.877 -2.764 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.925 -7.444 -0.571 1.00 0.00 C ATOM 0 H VAL A 16 0.186 -10.235 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.567 -7.859 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 16 2.128 -8.747 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.831 -6.435 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.351 -7.294 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.248 -6.109 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.776 -6.994 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.150 -6.692 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.530 -8.261 0.033 1.00 0.00 H new ATOM 206 N LEU A 17 0.000 -8.841 -5.073 1.00 0.00 N ATOM 207 CA LEU A 17 0.370 -9.322 -6.399 1.00 0.00 C ATOM 208 C LEU A 17 1.878 -9.230 -6.611 1.00 0.00 C ATOM 209 O LEU A 17 2.478 -8.171 -6.429 1.00 0.00 O ATOM 210 CB LEU A 17 -0.358 -8.516 -7.477 1.00 0.00 C ATOM 211 CG LEU A 17 -0.217 -9.031 -8.910 1.00 0.00 C ATOM 212 CD1 LEU A 17 -0.859 -10.402 -9.050 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.834 -8.047 -9.893 1.00 0.00 C ATOM 0 H LEU A 17 -0.809 -8.219 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 17 0.074 -10.368 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.418 -8.486 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.007 -7.489 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 17 0.844 -9.125 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.749 -10.752 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.371 -11.103 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.918 -10.335 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.725 -8.430 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.892 -7.920 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.328 -7.085 -9.811 1.00 0.00 H new ATOM 225 N VAL A 18 2.485 -10.347 -6.999 1.00 0.00 N ATOM 226 CA VAL A 18 3.922 -10.393 -7.239 1.00 0.00 C ATOM 227 C VAL A 18 4.250 -11.263 -8.447 1.00 0.00 C ATOM 228 O VAL A 18 3.758 -12.384 -8.569 1.00 0.00 O ATOM 229 CB VAL A 18 4.680 -10.931 -6.011 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.173 -10.997 -6.291 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.396 -10.068 -4.790 1.00 0.00 C ATOM 0 H VAL A 18 2.003 -11.233 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 18 4.243 -9.370 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 18 4.329 -11.942 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.692 -11.379 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.356 -11.660 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.544 -9.999 -6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.939 -10.462 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.718 -9.045 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.327 -10.078 -4.578 1.00 0.00 H new ATOM 241 N ASN A 19 5.087 -10.740 -9.337 1.00 0.00 N ATOM 242 CA ASN A 19 5.482 -11.470 -10.536 1.00 0.00 C ATOM 243 C ASN A 19 4.266 -12.083 -11.225 1.00 0.00 C ATOM 244 O ASN A 19 4.258 -13.270 -11.551 1.00 0.00 O ATOM 245 CB ASN A 19 6.489 -12.566 -10.183 1.00 0.00 C ATOM 246 CG ASN A 19 5.851 -13.716 -9.427 1.00 0.00 C ATOM 247 OD1 ASN A 19 5.402 -14.693 -10.026 1.00 0.00 O ATOM 248 ND2 ASN A 19 5.808 -13.603 -8.105 1.00 0.00 N ATOM 0 H ASN A 19 5.505 -9.814 -9.251 1.00 0.00 H new ATOM 0 HA ASN A 19 5.950 -10.765 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.945 -12.945 -11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.290 -12.139 -9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.390 -14.345 -7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.193 -12.775 -7.651 1.00 0.00 H new ATOM 255 N SER A 20 3.241 -11.266 -11.443 1.00 0.00 N ATOM 256 CA SER A 20 2.019 -11.728 -12.089 1.00 0.00 C ATOM 257 C SER A 20 1.460 -12.958 -11.380 1.00 0.00 C ATOM 258 O SER A 20 0.746 -13.762 -11.978 1.00 0.00 O ATOM 259 CB SER A 20 2.286 -12.052 -13.561 1.00 0.00 C ATOM 260 OG SER A 20 1.087 -12.401 -14.232 1.00 0.00 O ATOM 0 H SER A 20 3.233 -10.280 -11.181 1.00 0.00 H new ATOM 0 HA SER A 20 1.281 -10.928 -12.028 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.742 -11.191 -14.049 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.999 -12.874 -13.632 1.00 0.00 H new ATOM 0 HG SER A 20 0.551 -12.988 -13.659 1.00 0.00 H new ATOM 266 N GLN A 21 1.793 -13.097 -10.100 1.00 0.00 N ATOM 267 CA GLN A 21 1.326 -14.229 -9.309 1.00 0.00 C ATOM 268 C GLN A 21 0.924 -13.784 -7.906 1.00 0.00 C ATOM 269 O GLN A 21 1.706 -13.151 -7.198 1.00 0.00 O ATOM 270 CB GLN A 21 2.412 -15.302 -9.224 1.00 0.00 C ATOM 271 CG GLN A 21 2.358 -16.314 -10.357 1.00 0.00 C ATOM 272 CD GLN A 21 1.455 -17.491 -10.046 1.00 0.00 C ATOM 273 OE1 GLN A 21 0.856 -17.562 -8.972 1.00 0.00 O ATOM 274 NE2 GLN A 21 1.351 -18.423 -10.986 1.00 0.00 N ATOM 0 H GLN A 21 2.384 -12.440 -9.590 1.00 0.00 H new ATOM 0 HA GLN A 21 0.449 -14.648 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.389 -14.819 -9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.318 -15.828 -8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.006 -15.821 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.365 -16.678 -10.562 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.865 -18.324 -11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.757 -19.238 -10.833 1.00 0.00 H new ATOM 283 N TRP A 22 -0.300 -14.117 -7.513 1.00 0.00 N ATOM 284 CA TRP A 22 -0.806 -13.751 -6.195 1.00 0.00 C ATOM 285 C TRP A 22 -0.152 -14.596 -5.107 1.00 0.00 C ATOM 286 O TRP A 22 -0.275 -15.821 -5.100 1.00 0.00 O ATOM 287 CB TRP A 22 -2.325 -13.920 -6.145 1.00 0.00 C ATOM 288 CG TRP A 22 -3.061 -12.935 -7.002 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.531 -13.140 -8.268 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.410 -11.590 -6.656 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.150 -12.004 -8.729 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.090 -11.039 -7.759 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.215 -10.798 -5.521 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.574 -9.733 -7.759 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.695 -9.503 -5.522 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.369 -8.981 -6.634 1.00 0.00 C ATOM 0 H TRP A 22 -0.961 -14.640 -8.088 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.558 -12.705 -6.015 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.582 -14.930 -6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.661 -13.816 -5.113 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.431 -14.060 -8.825 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.584 -11.896 -9.646 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.698 -11.192 -4.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.092 -9.328 -8.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.548 -8.882 -4.651 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.734 -7.965 -6.603 1.00 0.00 H new ATOM 307 N LYS A 23 0.544 -13.934 -4.189 1.00 0.00 N ATOM 308 CA LYS A 23 1.217 -14.623 -3.095 1.00 0.00 C ATOM 309 C LYS A 23 0.740 -14.096 -1.745 1.00 0.00 C ATOM 310 O LYS A 23 0.032 -13.092 -1.675 1.00 0.00 O ATOM 311 CB LYS A 23 2.734 -14.454 -3.214 1.00 0.00 C ATOM 312 CG LYS A 23 3.286 -14.857 -4.570 1.00 0.00 C ATOM 313 CD LYS A 23 4.805 -14.817 -4.587 1.00 0.00 C ATOM 314 CE LYS A 23 5.381 -15.903 -5.483 1.00 0.00 C ATOM 315 NZ LYS A 23 6.860 -15.787 -5.615 1.00 0.00 N ATOM 0 H LYS A 23 0.657 -12.920 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 23 0.970 -15.683 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.991 -13.413 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.219 -15.051 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.945 -15.862 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.895 -14.188 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.140 -13.840 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.185 -14.941 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.128 -16.882 -5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.922 -15.841 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.214 -16.545 -6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.100 -14.863 -6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.300 -15.872 -4.677 1.00 0.00 H new ATOM 329 N SER A 24 1.135 -14.780 -0.675 1.00 0.00 N ATOM 330 CA SER A 24 0.745 -14.382 0.672 1.00 0.00 C ATOM 331 C SER A 24 1.795 -13.465 1.292 1.00 0.00 C ATOM 332 O SER A 24 2.957 -13.844 1.441 1.00 0.00 O ATOM 333 CB SER A 24 0.545 -15.616 1.554 1.00 0.00 C ATOM 334 OG SER A 24 0.057 -15.254 2.834 1.00 0.00 O ATOM 0 H SER A 24 1.724 -15.612 -0.715 1.00 0.00 H new ATOM 0 HA SER A 24 -0.196 -13.836 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.155 -16.300 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.490 -16.149 1.659 1.00 0.00 H new ATOM 0 HG SER A 24 -0.064 -16.060 3.378 1.00 0.00 H new ATOM 340 N ARG A 25 1.378 -12.255 1.652 1.00 0.00 N ATOM 341 CA ARG A 25 2.281 -11.283 2.255 1.00 0.00 C ATOM 342 C ARG A 25 1.597 -10.543 3.401 1.00 0.00 C ATOM 343 O ARG A 25 0.379 -10.363 3.398 1.00 0.00 O ATOM 344 CB ARG A 25 2.763 -10.282 1.203 1.00 0.00 C ATOM 345 CG ARG A 25 3.755 -9.264 1.741 1.00 0.00 C ATOM 346 CD ARG A 25 5.184 -9.773 1.644 1.00 0.00 C ATOM 347 NE ARG A 25 5.384 -10.994 2.419 1.00 0.00 N ATOM 348 CZ ARG A 25 6.298 -11.912 2.123 1.00 0.00 C ATOM 349 NH1 ARG A 25 7.091 -11.747 1.073 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.419 -12.997 2.877 1.00 0.00 N ATOM 0 H ARG A 25 0.420 -11.925 1.536 1.00 0.00 H new ATOM 0 HA ARG A 25 3.140 -11.822 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.225 -10.827 0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.901 -9.755 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.661 -8.333 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.518 -9.038 2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.431 -9.962 0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.868 -9.002 1.999 1.00 0.00 H new ATOM 0 HE ARG A 25 4.789 -11.151 3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.000 -10.914 0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.792 -12.453 0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.810 -13.127 3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.121 -13.701 2.649 1.00 0.00 H new ATOM 364 N TRP A 26 2.389 -10.117 4.379 1.00 0.00 N ATOM 365 CA TRP A 26 1.859 -9.397 5.532 1.00 0.00 C ATOM 366 C TRP A 26 1.991 -7.891 5.340 1.00 0.00 C ATOM 367 O TRP A 26 3.099 -7.351 5.338 1.00 0.00 O ATOM 368 CB TRP A 26 2.587 -9.828 6.806 1.00 0.00 C ATOM 369 CG TRP A 26 1.791 -9.592 8.054 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.241 -8.411 8.464 1.00 0.00 C ATOM 371 CD2 TRP A 26 1.458 -10.561 9.054 1.00 0.00 C ATOM 372 NE1 TRP A 26 0.586 -8.588 9.659 1.00 0.00 N ATOM 373 CE2 TRP A 26 0.703 -9.897 10.041 1.00 0.00 C ATOM 374 CE3 TRP A 26 1.722 -11.924 9.210 1.00 0.00 C ATOM 375 CZ2 TRP A 26 0.213 -10.552 11.168 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.235 -12.572 10.329 1.00 0.00 C ATOM 377 CH2 TRP A 26 0.486 -11.887 11.295 1.00 0.00 C ATOM 0 H TRP A 26 3.399 -10.257 4.397 1.00 0.00 H new ATOM 0 HA TRP A 26 0.801 -9.640 5.627 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.832 -10.888 6.735 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.530 -9.287 6.878 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.311 -7.476 7.928 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.092 -7.861 10.177 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.296 -12.461 8.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -0.362 -10.025 11.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.435 -13.625 10.461 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.117 -12.423 12.157 1.00 0.00 H new ATOM 388 N CYS A 27 0.858 -7.217 5.180 1.00 0.00 N ATOM 389 CA CYS A 27 0.848 -5.771 4.987 1.00 0.00 C ATOM 390 C CYS A 27 0.462 -5.053 6.276 1.00 0.00 C ATOM 391 O CYS A 27 -0.526 -5.405 6.922 1.00 0.00 O ATOM 392 CB CYS A 27 -0.122 -5.392 3.867 1.00 0.00 C ATOM 393 SG CYS A 27 0.629 -5.350 2.223 1.00 0.00 S ATOM 0 H CYS A 27 -0.066 -7.649 5.180 1.00 0.00 H new ATOM 0 HA CYS A 27 1.854 -5.459 4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.947 -6.104 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.548 -4.413 4.085 1.00 0.00 H new ATOM 0 HG CYS A 27 1.852 -4.919 2.315 1.00 0.00 H new ATOM 399 N SER A 28 1.248 -4.047 6.645 1.00 0.00 N ATOM 400 CA SER A 28 0.991 -3.283 7.860 1.00 0.00 C ATOM 401 C SER A 28 1.062 -1.784 7.585 1.00 0.00 C ATOM 402 O SER A 28 2.112 -1.259 7.214 1.00 0.00 O ATOM 403 CB SER A 28 1.998 -3.662 8.948 1.00 0.00 C ATOM 404 OG SER A 28 1.555 -4.789 9.683 1.00 0.00 O ATOM 0 H SER A 28 2.068 -3.742 6.120 1.00 0.00 H new ATOM 0 HA SER A 28 -0.014 -3.524 8.205 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.965 -3.878 8.494 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.144 -2.818 9.623 1.00 0.00 H new ATOM 0 HG SER A 28 2.217 -5.012 10.371 1.00 0.00 H new ATOM 410 N VAL A 29 -0.063 -1.101 7.768 1.00 0.00 N ATOM 411 CA VAL A 29 -0.130 0.338 7.541 1.00 0.00 C ATOM 412 C VAL A 29 0.210 1.111 8.810 1.00 0.00 C ATOM 413 O VAL A 29 -0.313 0.819 9.886 1.00 0.00 O ATOM 414 CB VAL A 29 -1.526 0.765 7.051 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.631 2.281 6.991 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.826 0.147 5.694 1.00 0.00 C ATOM 0 H VAL A 29 -0.941 -1.521 8.073 1.00 0.00 H new ATOM 0 HA VAL A 29 0.604 0.571 6.770 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.268 0.402 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.624 2.563 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.463 2.697 7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.881 2.671 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.816 0.459 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.081 0.478 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.796 -0.940 5.774 1.00 0.00 H new ATOM 426 N ARG A 30 1.089 2.099 8.677 1.00 0.00 N ATOM 427 CA ARG A 30 1.500 2.914 9.814 1.00 0.00 C ATOM 428 C ARG A 30 2.139 4.218 9.345 1.00 0.00 C ATOM 429 O ARG A 30 2.793 4.261 8.302 1.00 0.00 O ATOM 430 CB ARG A 30 2.482 2.141 10.695 1.00 0.00 C ATOM 431 CG ARG A 30 3.074 2.972 11.822 1.00 0.00 C ATOM 432 CD ARG A 30 2.134 3.042 13.015 1.00 0.00 C ATOM 433 NE ARG A 30 2.338 1.930 13.939 1.00 0.00 N ATOM 434 CZ ARG A 30 1.493 1.623 14.917 1.00 0.00 C ATOM 435 NH1 ARG A 30 0.394 2.341 15.098 1.00 0.00 N ATOM 436 NH2 ARG A 30 1.747 0.595 15.716 1.00 0.00 N ATOM 0 H ARG A 30 1.530 2.354 7.793 1.00 0.00 H new ATOM 0 HA ARG A 30 0.611 3.154 10.397 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.972 1.277 11.121 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.291 1.759 10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.026 2.541 12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.283 3.979 11.462 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.287 3.984 13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.102 3.037 12.664 1.00 0.00 H new ATOM 0 HE ARG A 30 3.175 1.358 13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.195 3.132 14.485 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.253 2.103 15.850 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.592 0.040 15.580 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.098 0.360 16.467 1.00 0.00 H new ATOM 450 N ASP A 31 1.944 5.279 10.121 1.00 0.00 N ATOM 451 CA ASP A 31 2.502 6.584 9.786 1.00 0.00 C ATOM 452 C ASP A 31 2.173 6.961 8.344 1.00 0.00 C ATOM 453 O ASP A 31 2.992 7.557 7.646 1.00 0.00 O ATOM 454 CB ASP A 31 4.017 6.584 9.993 1.00 0.00 C ATOM 455 CG ASP A 31 4.603 7.982 9.986 1.00 0.00 C ATOM 456 OD1 ASP A 31 4.841 8.521 8.885 1.00 0.00 O ATOM 457 OD2 ASP A 31 4.821 8.538 11.083 1.00 0.00 O ATOM 0 H ASP A 31 1.404 5.261 10.986 1.00 0.00 H new ATOM 0 HA ASP A 31 2.053 7.324 10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.251 6.100 10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.488 5.992 9.208 1.00 0.00 H new ATOM 462 N ASN A 32 0.969 6.609 7.906 1.00 0.00 N ATOM 463 CA ASN A 32 0.532 6.909 6.547 1.00 0.00 C ATOM 464 C ASN A 32 1.429 6.220 5.523 1.00 0.00 C ATOM 465 O ASN A 32 1.783 6.804 4.498 1.00 0.00 O ATOM 466 CB ASN A 32 0.537 8.421 6.310 1.00 0.00 C ATOM 467 CG ASN A 32 -0.647 9.112 6.958 1.00 0.00 C ATOM 468 OD1 ASN A 32 -0.489 9.878 7.909 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.842 8.842 6.446 1.00 0.00 N ATOM 0 H ASN A 32 0.278 6.116 8.472 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.484 6.532 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.461 8.845 6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.527 8.618 5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.676 9.276 6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.926 8.201 5.657 1.00 0.00 H new ATOM 476 N HIS A 33 1.792 4.973 5.807 1.00 0.00 N ATOM 477 CA HIS A 33 2.646 4.203 4.910 1.00 0.00 C ATOM 478 C HIS A 33 2.356 2.710 5.033 1.00 0.00 C ATOM 479 O HIS A 33 2.173 2.191 6.135 1.00 0.00 O ATOM 480 CB HIS A 33 4.119 4.475 5.215 1.00 0.00 C ATOM 481 CG HIS A 33 4.672 5.663 4.489 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.361 6.963 4.828 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.521 5.742 3.438 1.00 0.00 C ATOM 484 CE1 HIS A 33 4.994 7.790 4.015 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.705 7.075 3.162 1.00 0.00 N ATOM 0 H HIS A 33 1.508 4.475 6.651 1.00 0.00 H new ATOM 0 HA HIS A 33 2.431 4.514 3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.237 4.628 6.288 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.705 3.594 4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.970 4.911 2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.939 8.868 4.043 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.295 7.451 2.419 1.00 0.00 H new ATOM 494 N LEU A 34 2.316 2.024 3.896 1.00 0.00 N ATOM 495 CA LEU A 34 2.048 0.591 3.876 1.00 0.00 C ATOM 496 C LEU A 34 3.346 -0.205 3.797 1.00 0.00 C ATOM 497 O LEU A 34 3.951 -0.323 2.730 1.00 0.00 O ATOM 498 CB LEU A 34 1.146 0.237 2.691 1.00 0.00 C ATOM 499 CG LEU A 34 1.220 -1.209 2.201 1.00 0.00 C ATOM 500 CD1 LEU A 34 1.113 -2.176 3.370 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.126 -1.482 1.178 1.00 0.00 C ATOM 0 H LEU A 34 2.466 2.438 2.976 1.00 0.00 H new ATOM 0 HA LEU A 34 1.539 0.329 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.114 0.454 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.398 0.895 1.859 1.00 0.00 H new ATOM 0 HG LEU A 34 2.186 -1.360 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.168 -3.200 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.932 -1.997 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.162 -2.025 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.194 -2.516 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.849 -1.313 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.249 -0.813 0.326 1.00 0.00 H new ATOM 513 N HIS A 35 3.769 -0.753 4.932 1.00 0.00 N ATOM 514 CA HIS A 35 4.995 -1.540 4.991 1.00 0.00 C ATOM 515 C HIS A 35 4.718 -3.003 4.657 1.00 0.00 C ATOM 516 O HIS A 35 3.642 -3.524 4.951 1.00 0.00 O ATOM 517 CB HIS A 35 5.629 -1.433 6.378 1.00 0.00 C ATOM 518 CG HIS A 35 6.138 -0.062 6.700 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.481 0.249 6.756 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.476 1.084 6.982 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.622 1.526 7.060 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.421 2.056 7.202 1.00 0.00 N ATOM 0 H HIS A 35 3.280 -0.666 5.823 1.00 0.00 H new ATOM 0 HA HIS A 35 5.689 -1.141 4.251 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.893 -1.724 7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.453 -2.143 6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.404 1.211 7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.560 2.048 7.173 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.227 3.029 7.437 1.00 0.00 H new ATOM 531 N PHE A 36 5.695 -3.660 4.039 1.00 0.00 N ATOM 532 CA PHE A 36 5.555 -5.062 3.664 1.00 0.00 C ATOM 533 C PHE A 36 6.437 -5.949 4.537 1.00 0.00 C ATOM 534 O PHE A 36 7.631 -5.694 4.695 1.00 0.00 O ATOM 535 CB PHE A 36 5.918 -5.255 2.190 1.00 0.00 C ATOM 536 CG PHE A 36 4.969 -4.575 1.245 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.912 -3.192 1.175 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.134 -5.318 0.426 1.00 0.00 C ATOM 539 CE1 PHE A 36 4.040 -2.563 0.306 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.261 -4.695 -0.445 1.00 0.00 C ATOM 541 CZ PHE A 36 3.213 -3.316 -0.504 1.00 0.00 C ATOM 0 H PHE A 36 6.592 -3.244 3.788 1.00 0.00 H new ATOM 0 HA PHE A 36 4.515 -5.352 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.924 -4.873 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.939 -6.322 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.556 -2.599 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.166 -6.397 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.006 -1.484 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.617 -5.286 -1.079 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.530 -2.827 -1.183 1.00 0.00 H new ATOM 551 N TYR A 37 5.839 -6.992 5.103 1.00 0.00 N ATOM 552 CA TYR A 37 6.568 -7.917 5.963 1.00 0.00 C ATOM 553 C TYR A 37 6.341 -9.361 5.526 1.00 0.00 C ATOM 554 O TYR A 37 5.431 -9.650 4.750 1.00 0.00 O ATOM 555 CB TYR A 37 6.137 -7.739 7.419 1.00 0.00 C ATOM 556 CG TYR A 37 6.399 -6.352 7.963 1.00 0.00 C ATOM 557 CD1 TYR A 37 7.607 -6.041 8.575 1.00 0.00 C ATOM 558 CD2 TYR A 37 5.438 -5.354 7.865 1.00 0.00 C ATOM 559 CE1 TYR A 37 7.850 -4.776 9.074 1.00 0.00 C ATOM 560 CE2 TYR A 37 5.672 -4.085 8.360 1.00 0.00 C ATOM 561 CZ TYR A 37 6.880 -3.801 8.963 1.00 0.00 C ATOM 562 OH TYR A 37 7.117 -2.539 9.458 1.00 0.00 O ATOM 0 H TYR A 37 4.852 -7.218 4.982 1.00 0.00 H new ATOM 0 HA TYR A 37 7.631 -7.693 5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.073 -7.958 7.503 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.662 -8.468 8.036 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.369 -6.801 8.662 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.491 -5.573 7.394 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.794 -4.551 9.548 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.914 -3.320 8.275 1.00 0.00 H new ATOM 0 HH TYR A 37 6.333 -1.972 9.298 1.00 0.00 H new ATOM 572 N GLN A 38 7.176 -10.263 6.032 1.00 0.00 N ATOM 573 CA GLN A 38 7.067 -11.678 5.695 1.00 0.00 C ATOM 574 C GLN A 38 6.512 -12.476 6.870 1.00 0.00 C ATOM 575 O GLN A 38 5.428 -13.053 6.784 1.00 0.00 O ATOM 576 CB GLN A 38 8.432 -12.233 5.286 1.00 0.00 C ATOM 577 CG GLN A 38 9.052 -11.510 4.101 1.00 0.00 C ATOM 578 CD GLN A 38 10.159 -12.310 3.443 1.00 0.00 C ATOM 579 OE1 GLN A 38 11.321 -12.231 3.844 1.00 0.00 O ATOM 580 NE2 GLN A 38 9.804 -13.088 2.427 1.00 0.00 N ATOM 0 H GLN A 38 7.935 -10.040 6.676 1.00 0.00 H new ATOM 0 HA GLN A 38 6.378 -11.774 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.111 -12.168 6.136 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.327 -13.290 5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.277 -11.296 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.450 -10.551 4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.830 -13.123 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.506 -13.651 1.946 1.00 0.00 H new ATOM 712 N ALA A 46 9.573 -7.591 3.892 1.00 0.00 N ATOM 713 CA ALA A 46 9.677 -8.155 2.552 1.00 0.00 C ATOM 714 C ALA A 46 10.396 -7.197 1.607 1.00 0.00 C ATOM 715 O ALA A 46 11.204 -7.618 0.781 1.00 0.00 O ATOM 716 CB ALA A 46 8.295 -8.492 2.012 1.00 0.00 C ATOM 0 HA ALA A 46 10.264 -9.071 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.388 -8.912 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.816 -9.219 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.690 -7.586 1.971 1.00 0.00 H new ATOM 722 N GLN A 47 10.095 -5.909 1.736 1.00 0.00 N ATOM 723 CA GLN A 47 10.712 -4.893 0.893 1.00 0.00 C ATOM 724 C GLN A 47 10.280 -3.494 1.321 1.00 0.00 C ATOM 725 O GLN A 47 9.402 -3.339 2.169 1.00 0.00 O ATOM 726 CB GLN A 47 10.346 -5.126 -0.574 1.00 0.00 C ATOM 727 CG GLN A 47 8.850 -5.251 -0.815 1.00 0.00 C ATOM 728 CD GLN A 47 8.491 -5.212 -2.287 1.00 0.00 C ATOM 729 OE1 GLN A 47 9.128 -4.513 -3.075 1.00 0.00 O ATOM 730 NE2 GLN A 47 7.465 -5.964 -2.667 1.00 0.00 N ATOM 0 H GLN A 47 9.428 -5.545 2.416 1.00 0.00 H new ATOM 0 HA GLN A 47 11.793 -4.970 1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.734 -4.302 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.839 -6.033 -0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.493 -6.186 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.334 -4.443 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.965 -6.528 -1.980 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.177 -5.977 -3.645 1.00 0.00 H new ATOM 739 N GLN A 48 10.903 -2.481 0.729 1.00 0.00 N ATOM 740 CA GLN A 48 10.583 -1.095 1.050 1.00 0.00 C ATOM 741 C GLN A 48 9.075 -0.894 1.149 1.00 0.00 C ATOM 742 O GLN A 48 8.297 -1.449 0.373 1.00 0.00 O ATOM 743 CB GLN A 48 11.167 -0.156 -0.007 1.00 0.00 C ATOM 744 CG GLN A 48 10.341 1.102 -0.225 1.00 0.00 C ATOM 745 CD GLN A 48 10.851 1.941 -1.380 1.00 0.00 C ATOM 746 OE1 GLN A 48 12.010 2.357 -1.397 1.00 0.00 O ATOM 747 NE2 GLN A 48 9.986 2.194 -2.355 1.00 0.00 N ATOM 0 H GLN A 48 11.632 -2.593 0.025 1.00 0.00 H new ATOM 0 HA GLN A 48 11.027 -0.861 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.176 0.129 0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.252 -0.693 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.304 0.823 -0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.350 1.701 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.035 1.829 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.273 2.753 -3.159 1.00 0.00 H new ATOM 756 N PRO A 49 8.649 -0.080 2.127 1.00 0.00 N ATOM 757 CA PRO A 49 7.230 0.214 2.351 1.00 0.00 C ATOM 758 C PRO A 49 6.634 1.074 1.241 1.00 0.00 C ATOM 759 O PRO A 49 7.291 1.354 0.238 1.00 0.00 O ATOM 760 CB PRO A 49 7.231 0.977 3.677 1.00 0.00 C ATOM 761 CG PRO A 49 8.588 1.585 3.764 1.00 0.00 C ATOM 762 CD PRO A 49 9.519 0.617 3.089 1.00 0.00 C ATOM 0 HA PRO A 49 6.623 -0.691 2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.453 1.741 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.042 0.310 4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.612 2.557 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.878 1.746 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.340 1.131 2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.965 -0.076 3.803 1.00 0.00 H new ATOM 770 N LEU A 50 5.387 1.491 1.428 1.00 0.00 N ATOM 771 CA LEU A 50 4.702 2.320 0.443 1.00 0.00 C ATOM 772 C LEU A 50 4.311 3.667 1.042 1.00 0.00 C ATOM 773 O LEU A 50 4.109 3.785 2.251 1.00 0.00 O ATOM 774 CB LEU A 50 3.457 1.602 -0.081 1.00 0.00 C ATOM 775 CG LEU A 50 3.665 0.702 -1.300 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.380 -0.035 -1.644 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.148 1.519 -2.490 1.00 0.00 C ATOM 0 H LEU A 50 4.830 1.269 2.253 1.00 0.00 H new ATOM 0 HA LEU A 50 5.388 2.497 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.044 0.997 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.708 2.353 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 50 4.430 -0.036 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.547 -0.671 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.076 -0.651 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.595 0.687 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.291 0.862 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.406 2.280 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.093 2.001 -2.241 1.00 0.00 H new ATOM 789 N SER A 51 4.203 4.680 0.188 1.00 0.00 N ATOM 790 CA SER A 51 3.838 6.020 0.634 1.00 0.00 C ATOM 791 C SER A 51 2.420 6.371 0.193 1.00 0.00 C ATOM 792 O SER A 51 2.222 7.179 -0.715 1.00 0.00 O ATOM 793 CB SER A 51 4.825 7.051 0.083 1.00 0.00 C ATOM 794 OG SER A 51 4.832 7.044 -1.334 1.00 0.00 O ATOM 0 H SER A 51 4.363 4.599 -0.816 1.00 0.00 H new ATOM 0 HA SER A 51 3.877 6.037 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.557 8.044 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.826 6.836 0.456 1.00 0.00 H new ATOM 0 HG SER A 51 3.921 7.184 -1.666 1.00 0.00 H new ATOM 800 N LEU A 52 1.436 5.758 0.842 1.00 0.00 N ATOM 801 CA LEU A 52 0.035 6.004 0.519 1.00 0.00 C ATOM 802 C LEU A 52 -0.212 7.488 0.264 1.00 0.00 C ATOM 803 O LEU A 52 -0.942 7.857 -0.656 1.00 0.00 O ATOM 804 CB LEU A 52 -0.865 5.513 1.653 1.00 0.00 C ATOM 805 CG LEU A 52 -0.696 4.048 2.058 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.563 3.724 3.265 1.00 0.00 C ATOM 807 CD2 LEU A 52 -1.037 3.130 0.893 1.00 0.00 C ATOM 0 H LEU A 52 1.583 5.086 1.596 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.205 5.453 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.683 6.135 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.903 5.671 1.360 1.00 0.00 H new ATOM 0 HG LEU A 52 0.347 3.885 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.429 2.677 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.272 4.358 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.610 3.904 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.911 2.091 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.071 3.296 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.374 3.344 0.055 1.00 0.00 H new ATOM 819 N VAL A 53 0.404 8.334 1.083 1.00 0.00 N ATOM 820 CA VAL A 53 0.254 9.778 0.945 1.00 0.00 C ATOM 821 C VAL A 53 0.447 10.214 -0.503 1.00 0.00 C ATOM 822 O VAL A 53 1.572 10.428 -0.952 1.00 0.00 O ATOM 823 CB VAL A 53 1.256 10.534 1.836 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.089 12.037 1.672 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.087 10.127 3.292 1.00 0.00 C ATOM 0 H VAL A 53 1.012 8.045 1.849 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.759 10.023 1.263 1.00 0.00 H new ATOM 0 HB VAL A 53 2.266 10.268 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.806 12.554 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.265 12.311 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.077 12.324 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.803 10.671 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.074 10.362 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.262 9.056 3.393 1.00 0.00 H new ATOM 835 N GLY A 54 -0.659 10.345 -1.229 1.00 0.00 N ATOM 836 CA GLY A 54 -0.590 10.756 -2.619 1.00 0.00 C ATOM 837 C GLY A 54 -1.230 9.750 -3.554 1.00 0.00 C ATOM 838 O GLY A 54 -1.951 10.123 -4.479 1.00 0.00 O ATOM 0 H GLY A 54 -1.602 10.174 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.085 11.720 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.453 10.897 -2.901 1.00 0.00 H new ATOM 842 N CYS A 55 -0.966 8.470 -3.313 1.00 0.00 N ATOM 843 CA CYS A 55 -1.520 7.406 -4.143 1.00 0.00 C ATOM 844 C CYS A 55 -3.042 7.378 -4.046 1.00 0.00 C ATOM 845 O CYS A 55 -3.639 8.148 -3.296 1.00 0.00 O ATOM 846 CB CYS A 55 -0.944 6.052 -3.724 1.00 0.00 C ATOM 847 SG CYS A 55 0.848 6.054 -3.487 1.00 0.00 S ATOM 0 H CYS A 55 -0.372 8.144 -2.550 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.244 7.605 -5.179 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.422 5.737 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.199 5.311 -4.481 1.00 0.00 H new ATOM 0 HG CYS A 55 1.129 6.528 -2.310 1.00 0.00 H new ATOM 853 N GLU A 56 -3.661 6.484 -4.811 1.00 0.00 N ATOM 854 CA GLU A 56 -5.114 6.358 -4.813 1.00 0.00 C ATOM 855 C GLU A 56 -5.533 4.894 -4.913 1.00 0.00 C ATOM 856 O GLU A 56 -5.212 4.210 -5.885 1.00 0.00 O ATOM 857 CB GLU A 56 -5.716 7.152 -5.974 1.00 0.00 C ATOM 858 CG GLU A 56 -7.189 6.863 -6.210 1.00 0.00 C ATOM 859 CD GLU A 56 -7.795 7.755 -7.276 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.700 8.993 -7.137 1.00 0.00 O ATOM 861 OE2 GLU A 56 -8.364 7.217 -8.248 1.00 0.00 O ATOM 0 H GLU A 56 -3.180 5.837 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.489 6.762 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.590 8.217 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.160 6.927 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.308 5.820 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.736 6.996 -5.276 1.00 0.00 H new ATOM 868 N VAL A 57 -6.251 4.420 -3.900 1.00 0.00 N ATOM 869 CA VAL A 57 -6.715 3.037 -3.873 1.00 0.00 C ATOM 870 C VAL A 57 -8.079 2.902 -4.540 1.00 0.00 C ATOM 871 O VAL A 57 -9.062 3.494 -4.094 1.00 0.00 O ATOM 872 CB VAL A 57 -6.806 2.504 -2.431 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.141 1.020 -2.430 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.507 2.766 -1.683 1.00 0.00 C ATOM 0 H VAL A 57 -6.524 4.973 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.984 2.447 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.608 3.033 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.201 0.661 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.099 0.863 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.363 0.471 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.589 2.383 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.685 2.265 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.315 3.838 -1.652 1.00 0.00 H new ATOM 884 N VAL A 58 -8.132 2.118 -5.612 1.00 0.00 N ATOM 885 CA VAL A 58 -9.376 1.903 -6.341 1.00 0.00 C ATOM 886 C VAL A 58 -9.744 0.424 -6.375 1.00 0.00 C ATOM 887 O VAL A 58 -8.898 -0.448 -6.576 1.00 0.00 O ATOM 888 CB VAL A 58 -9.279 2.430 -7.785 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.606 3.915 -7.834 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.896 2.161 -8.358 1.00 0.00 C ATOM 0 H VAL A 58 -7.328 1.621 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.152 2.456 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.010 1.901 -8.397 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.532 4.270 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.619 4.077 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.901 4.464 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.845 2.540 -9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.145 2.662 -7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.705 1.088 -8.359 1.00 0.00 H new ATOM 900 N PRO A 59 -11.038 0.131 -6.175 1.00 0.00 N ATOM 901 CA PRO A 59 -11.548 -1.243 -6.180 1.00 0.00 C ATOM 902 C PRO A 59 -11.521 -1.867 -7.571 1.00 0.00 C ATOM 903 O PRO A 59 -12.482 -1.753 -8.332 1.00 0.00 O ATOM 904 CB PRO A 59 -12.991 -1.087 -5.692 1.00 0.00 C ATOM 905 CG PRO A 59 -13.363 0.310 -6.052 1.00 0.00 C ATOM 906 CD PRO A 59 -12.102 1.119 -5.930 1.00 0.00 C ATOM 0 HA PRO A 59 -10.943 -1.905 -5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.652 -1.809 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.066 -1.252 -4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.761 0.359 -7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.137 0.691 -5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.073 1.930 -6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.010 1.573 -4.943 1.00 0.00 H new ATOM 914 N ASP A 60 -10.415 -2.527 -7.897 1.00 0.00 N ATOM 915 CA ASP A 60 -10.263 -3.171 -9.197 1.00 0.00 C ATOM 916 C ASP A 60 -10.370 -4.687 -9.068 1.00 0.00 C ATOM 917 O ASP A 60 -9.373 -5.409 -9.105 1.00 0.00 O ATOM 918 CB ASP A 60 -8.920 -2.793 -9.823 1.00 0.00 C ATOM 919 CG ASP A 60 -8.923 -2.942 -11.332 1.00 0.00 C ATOM 920 OD1 ASP A 60 -8.717 -4.074 -11.816 1.00 0.00 O ATOM 921 OD2 ASP A 60 -9.129 -1.926 -12.029 1.00 0.00 O ATOM 0 H ASP A 60 -9.610 -2.630 -7.279 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.068 -2.822 -9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.678 -1.762 -9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.136 -3.421 -9.400 1.00 0.00 H new ATOM 926 N PRO A 61 -11.606 -5.182 -8.912 1.00 0.00 N ATOM 927 CA PRO A 61 -11.873 -6.617 -8.774 1.00 0.00 C ATOM 928 C PRO A 61 -11.624 -7.380 -10.071 1.00 0.00 C ATOM 929 O PRO A 61 -11.509 -6.783 -11.141 1.00 0.00 O ATOM 930 CB PRO A 61 -13.356 -6.668 -8.399 1.00 0.00 C ATOM 931 CG PRO A 61 -13.930 -5.411 -8.955 1.00 0.00 C ATOM 932 CD PRO A 61 -12.840 -4.380 -8.860 1.00 0.00 C ATOM 0 HA PRO A 61 -11.218 -7.085 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.842 -7.547 -8.823 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.490 -6.720 -7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.246 -5.550 -9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.810 -5.101 -8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.890 -3.666 -9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.908 -3.807 -7.935 1.00 0.00 H new ATOM 940 N SER A 62 -11.544 -8.703 -9.967 1.00 0.00 N ATOM 941 CA SER A 62 -11.305 -9.548 -11.132 1.00 0.00 C ATOM 942 C SER A 62 -12.440 -10.551 -11.317 1.00 0.00 C ATOM 943 O SER A 62 -13.272 -10.755 -10.433 1.00 0.00 O ATOM 944 CB SER A 62 -9.974 -10.287 -10.988 1.00 0.00 C ATOM 945 OG SER A 62 -9.573 -10.356 -9.631 1.00 0.00 O ATOM 0 H SER A 62 -11.641 -9.213 -9.089 1.00 0.00 H new ATOM 0 HA SER A 62 -11.262 -8.907 -12.013 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.068 -11.294 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.207 -9.778 -11.572 1.00 0.00 H new ATOM 0 HG SER A 62 -8.720 -10.834 -9.566 1.00 0.00 H new ATOM 951 N PRO A 63 -12.476 -11.192 -12.494 1.00 0.00 N ATOM 952 CA PRO A 63 -13.502 -12.185 -12.824 1.00 0.00 C ATOM 953 C PRO A 63 -13.347 -13.470 -12.017 1.00 0.00 C ATOM 954 O PRO A 63 -14.078 -14.438 -12.227 1.00 0.00 O ATOM 955 CB PRO A 63 -13.268 -12.457 -14.312 1.00 0.00 C ATOM 956 CG PRO A 63 -11.833 -12.126 -14.536 1.00 0.00 C ATOM 957 CD PRO A 63 -11.516 -10.998 -13.594 1.00 0.00 C ATOM 0 HA PRO A 63 -14.505 -11.825 -12.595 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.478 -13.497 -14.562 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.918 -11.842 -14.934 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.198 -12.990 -14.338 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.657 -11.831 -15.571 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.486 -11.046 -13.241 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.644 -10.027 -14.072 1.00 0.00 H new ATOM 965 N ASP A 64 -12.391 -13.471 -11.094 1.00 0.00 N ATOM 966 CA ASP A 64 -12.141 -14.637 -10.255 1.00 0.00 C ATOM 967 C ASP A 64 -12.201 -14.265 -8.777 1.00 0.00 C ATOM 968 O ASP A 64 -12.442 -15.117 -7.920 1.00 0.00 O ATOM 969 CB ASP A 64 -10.778 -15.247 -10.585 1.00 0.00 C ATOM 970 CG ASP A 64 -10.824 -16.140 -11.809 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.626 -15.854 -12.723 1.00 0.00 O ATOM 972 OD2 ASP A 64 -10.058 -17.125 -11.854 1.00 0.00 O ATOM 0 H ASP A 64 -11.777 -12.678 -10.908 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.918 -15.374 -10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.056 -14.447 -10.749 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.425 -15.825 -9.731 1.00 0.00 H new ATOM 977 N HIS A 65 -11.979 -12.987 -8.484 1.00 0.00 N ATOM 978 CA HIS A 65 -12.007 -12.502 -7.108 1.00 0.00 C ATOM 979 C HIS A 65 -12.428 -11.037 -7.058 1.00 0.00 C ATOM 980 O HIS A 65 -11.648 -10.144 -7.393 1.00 0.00 O ATOM 981 CB HIS A 65 -10.635 -12.674 -6.457 1.00 0.00 C ATOM 982 CG HIS A 65 -10.385 -14.058 -5.942 1.00 0.00 C ATOM 983 ND1 HIS A 65 -10.604 -14.425 -4.631 1.00 0.00 N ATOM 984 CD2 HIS A 65 -9.933 -15.168 -6.571 1.00 0.00 C ATOM 985 CE1 HIS A 65 -10.297 -15.700 -4.475 1.00 0.00 C ATOM 986 NE2 HIS A 65 -9.887 -16.175 -5.638 1.00 0.00 N ATOM 0 H HIS A 65 -11.778 -12.269 -9.180 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.739 -13.091 -6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.863 -12.421 -7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.542 -11.966 -5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.659 -15.247 -7.613 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.369 -16.259 -3.554 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.585 -17.133 -5.814 1.00 0.00 H new ATOM 995 N LEU A 66 -13.664 -10.795 -6.638 1.00 0.00 N ATOM 996 CA LEU A 66 -14.189 -9.438 -6.544 1.00 0.00 C ATOM 997 C LEU A 66 -13.738 -8.767 -5.250 1.00 0.00 C ATOM 998 O LEU A 66 -14.389 -7.847 -4.756 1.00 0.00 O ATOM 999 CB LEU A 66 -15.717 -9.454 -6.616 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.330 -10.389 -7.660 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.750 -10.767 -7.271 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.307 -9.739 -9.036 1.00 0.00 C ATOM 0 H LEU A 66 -14.322 -11.522 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.797 -8.866 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.104 -9.733 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.062 -8.440 -6.818 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.732 -11.300 -7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.169 -11.432 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.740 -11.274 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.360 -9.867 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.747 -10.418 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.881 -8.812 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.277 -9.520 -9.318 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.618 -9.233 -4.708 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.079 -8.679 -3.472 1.00 0.00 C ATOM 1016 C TYR A 67 -10.621 -8.267 -3.650 1.00 0.00 C ATOM 1017 O TYR A 67 -9.788 -8.495 -2.772 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.198 -9.698 -2.337 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.468 -10.517 -2.389 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.698 -9.914 -2.619 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.437 -11.895 -2.211 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.861 -10.658 -2.666 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.595 -12.647 -2.258 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.804 -12.024 -2.486 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.960 -12.769 -2.534 1.00 0.00 O ATOM 0 H TYR A 67 -12.066 -9.993 -5.105 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.660 -7.792 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.341 -10.370 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.153 -9.173 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.746 -8.845 -2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.492 -12.386 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.809 -10.173 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.554 -13.717 -2.117 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.746 -13.714 -2.389 1.00 0.00 H new ATOM 1035 N SER A 68 -10.320 -7.659 -4.793 1.00 0.00 N ATOM 1036 CA SER A 68 -8.962 -7.217 -5.089 1.00 0.00 C ATOM 1037 C SER A 68 -8.942 -5.738 -5.465 1.00 0.00 C ATOM 1038 O SER A 68 -9.730 -5.286 -6.295 1.00 0.00 O ATOM 1039 CB SER A 68 -8.368 -8.052 -6.225 1.00 0.00 C ATOM 1040 OG SER A 68 -9.335 -8.310 -7.228 1.00 0.00 O ATOM 0 H SER A 68 -10.998 -7.461 -5.529 1.00 0.00 H new ATOM 0 HA SER A 68 -8.358 -7.354 -4.192 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.519 -7.526 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.990 -8.995 -5.829 1.00 0.00 H new ATOM 0 HG SER A 68 -9.947 -9.011 -6.920 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.035 -4.990 -4.847 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.911 -3.562 -5.114 1.00 0.00 C ATOM 1048 C PHE A 69 -6.493 -3.212 -5.555 1.00 0.00 C ATOM 1049 O PHE A 69 -5.570 -4.013 -5.406 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.284 -2.754 -3.870 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.751 -3.338 -2.593 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.396 -4.399 -1.979 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.603 -2.828 -2.008 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.908 -4.938 -0.803 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.110 -3.363 -0.833 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.762 -4.421 -0.231 1.00 0.00 C ATOM 0 H PHE A 69 -7.375 -5.349 -4.157 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.597 -3.309 -5.922 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.907 -1.737 -3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.370 -2.685 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.290 -4.810 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.087 -2.002 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.422 -5.763 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.216 -2.954 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.377 -4.843 0.685 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.328 -2.010 -6.099 1.00 0.00 N ATOM 1067 CA ARG A 70 -5.023 -1.555 -6.563 1.00 0.00 C ATOM 1068 C ARG A 70 -4.810 -0.082 -6.225 1.00 0.00 C ATOM 1069 O ARG A 70 -5.769 0.664 -6.024 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.893 -1.766 -8.073 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.895 -0.966 -8.889 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.317 -0.554 -10.233 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.047 -1.706 -11.090 1.00 0.00 N ATOM 1074 CZ ARG A 70 -4.984 -1.638 -12.415 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.170 -0.479 -13.032 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -4.734 -2.730 -13.125 1.00 0.00 N ATOM 0 H ARG A 70 -7.081 -1.335 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.259 -2.142 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.884 -1.494 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.020 -2.826 -8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.795 -1.560 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.193 -0.078 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.013 0.117 -10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.394 0.004 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.899 -2.612 -10.646 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.362 0.363 -12.489 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.121 -0.429 -14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.590 -3.623 -12.654 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.686 -2.677 -14.142 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.548 0.329 -6.165 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.210 1.712 -5.852 1.00 0.00 C ATOM 1092 C ILE A 71 -2.619 2.422 -7.065 1.00 0.00 C ATOM 1093 O ILE A 71 -1.869 1.828 -7.842 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.208 1.796 -4.685 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.448 0.654 -3.695 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.321 3.143 -3.986 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.403 0.571 -2.604 1.00 0.00 C ATOM 0 H ILE A 71 -2.743 -0.276 -6.329 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.138 2.205 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.198 1.699 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.430 0.780 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.469 -0.290 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.607 3.187 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.106 3.941 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.331 3.267 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.636 -0.261 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.422 0.414 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.397 1.500 -2.034 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.961 3.696 -7.223 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.464 4.489 -8.341 1.00 0.00 C ATOM 1111 C LEU A 72 -2.182 5.924 -7.909 1.00 0.00 C ATOM 1112 O LEU A 72 -2.954 6.520 -7.157 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.476 4.479 -9.489 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.106 3.125 -9.817 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.541 3.304 -10.287 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.284 2.396 -10.870 1.00 0.00 C ATOM 0 H LEU A 72 -3.581 4.202 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.530 4.043 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.275 5.180 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.982 4.854 -10.385 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.116 2.520 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.973 2.330 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.124 3.784 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.556 3.927 -11.182 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.747 1.434 -11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.242 2.996 -11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.273 2.235 -10.495 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.072 6.475 -8.390 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.689 7.842 -8.055 1.00 0.00 C ATOM 1130 C HIS A 73 -1.194 8.821 -9.110 1.00 0.00 C ATOM 1131 O HIS A 73 -2.146 9.566 -8.877 1.00 0.00 O ATOM 1132 CB HIS A 73 0.830 7.952 -7.925 1.00 0.00 C ATOM 1133 CG HIS A 73 1.291 9.270 -7.384 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.504 9.836 -7.715 1.00 0.00 N ATOM 1135 CD2 HIS A 73 0.694 10.134 -6.531 1.00 0.00 C ATOM 1136 CE1 HIS A 73 2.634 10.992 -7.088 1.00 0.00 C ATOM 1137 NE2 HIS A 73 1.549 11.196 -6.363 1.00 0.00 N ATOM 0 H HIS A 73 -0.422 5.996 -9.013 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.146 8.097 -7.099 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.189 7.155 -7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.283 7.792 -8.904 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.274 10.012 -6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.483 11.657 -7.157 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.374 12.010 -5.774 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.549 8.815 -10.272 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.931 9.702 -11.364 1.00 0.00 C ATOM 1148 C LYS A 74 -1.302 8.903 -12.610 1.00 0.00 C ATOM 1149 O LYS A 74 -0.893 9.240 -13.720 1.00 0.00 O ATOM 1150 CB LYS A 74 0.210 10.670 -11.687 1.00 0.00 C ATOM 1151 CG LYS A 74 0.971 11.143 -10.461 1.00 0.00 C ATOM 1152 CD LYS A 74 1.526 12.544 -10.655 1.00 0.00 C ATOM 1153 CE LYS A 74 2.446 12.943 -9.511 1.00 0.00 C ATOM 1154 NZ LYS A 74 3.763 12.254 -9.592 1.00 0.00 N ATOM 0 H LYS A 74 0.241 8.205 -10.481 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.804 10.273 -11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.906 10.183 -12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.196 11.536 -12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.310 11.129 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.788 10.453 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.073 12.593 -11.597 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.703 13.256 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.599 14.022 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.969 12.703 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.354 12.540 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.618 11.224 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.238 12.516 -10.479 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.080 7.842 -12.417 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.493 7.013 -13.534 1.00 0.00 C ATOM 1170 C GLY A 75 -1.639 5.769 -13.680 1.00 0.00 C ATOM 1171 O GLY A 75 -1.858 4.961 -14.581 1.00 0.00 O ATOM 0 H GLY A 75 -2.431 7.542 -11.508 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.535 6.721 -13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.441 7.596 -14.454 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.662 5.617 -12.792 1.00 0.00 N ATOM 1176 CA GLU A 76 0.230 4.463 -12.828 1.00 0.00 C ATOM 1177 C GLU A 76 -0.084 3.497 -11.690 1.00 0.00 C ATOM 1178 O GLU A 76 -0.694 3.876 -10.691 1.00 0.00 O ATOM 1179 CB GLU A 76 1.689 4.916 -12.740 1.00 0.00 C ATOM 1180 CG GLU A 76 2.362 5.069 -14.093 1.00 0.00 C ATOM 1181 CD GLU A 76 2.122 3.879 -15.002 1.00 0.00 C ATOM 1182 OE1 GLU A 76 2.663 2.791 -14.711 1.00 0.00 O ATOM 1183 OE2 GLU A 76 1.394 4.035 -16.004 1.00 0.00 O ATOM 0 H GLU A 76 -0.468 6.277 -12.039 1.00 0.00 H new ATOM 0 HA GLU A 76 0.074 3.945 -13.774 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.734 5.868 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.249 4.195 -12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.993 5.972 -14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.434 5.201 -13.948 1.00 0.00 H new ATOM 1190 N GLU A 77 0.337 2.246 -11.850 1.00 0.00 N ATOM 1191 CA GLU A 77 0.099 1.225 -10.837 1.00 0.00 C ATOM 1192 C GLU A 77 1.330 1.038 -9.954 1.00 0.00 C ATOM 1193 O GLU A 77 2.402 0.667 -10.434 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.274 -0.104 -11.498 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.689 -1.180 -10.509 1.00 0.00 C ATOM 1196 CD GLU A 77 -1.099 -2.472 -11.190 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -1.785 -2.401 -12.231 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -0.735 -3.552 -10.682 1.00 0.00 O ATOM 0 H GLU A 77 0.844 1.916 -12.671 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.730 1.557 -10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.090 0.066 -12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.576 -0.463 -12.077 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.138 -1.380 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.519 -0.813 -9.905 1.00 0.00 H new ATOM 1205 N LEU A 78 1.167 1.297 -8.661 1.00 0.00 N ATOM 1206 CA LEU A 78 2.264 1.159 -7.710 1.00 0.00 C ATOM 1207 C LEU A 78 2.252 -0.222 -7.061 1.00 0.00 C ATOM 1208 O LEU A 78 3.279 -0.895 -6.991 1.00 0.00 O ATOM 1209 CB LEU A 78 2.171 2.241 -6.633 1.00 0.00 C ATOM 1210 CG LEU A 78 2.038 3.679 -7.136 1.00 0.00 C ATOM 1211 CD1 LEU A 78 1.871 4.639 -5.969 1.00 0.00 C ATOM 1212 CD2 LEU A 78 3.245 4.064 -7.978 1.00 0.00 C ATOM 0 H LEU A 78 0.286 1.603 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 78 3.201 1.276 -8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.314 2.019 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.060 2.178 -6.005 1.00 0.00 H new ATOM 0 HG LEU A 78 1.149 3.743 -7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.778 5.657 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.974 4.377 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.741 4.572 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.133 5.090 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.150 3.983 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.319 3.395 -8.835 1.00 0.00 H new ATOM 1224 N ALA A 79 1.080 -0.638 -6.591 1.00 0.00 N ATOM 1225 CA ALA A 79 0.933 -1.940 -5.953 1.00 0.00 C ATOM 1226 C ALA A 79 -0.461 -2.513 -6.189 1.00 0.00 C ATOM 1227 O ALA A 79 -1.336 -1.839 -6.733 1.00 0.00 O ATOM 1228 CB ALA A 79 1.214 -1.832 -4.461 1.00 0.00 C ATOM 0 H ALA A 79 0.220 -0.092 -6.640 1.00 0.00 H new ATOM 0 HA ALA A 79 1.658 -2.620 -6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.100 -2.812 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.232 -1.474 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.511 -1.133 -4.008 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.660 -3.761 -5.778 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.947 -4.425 -5.945 1.00 0.00 C ATOM 1236 C LYS A 80 -2.162 -5.475 -4.859 1.00 0.00 C ATOM 1237 O LYS A 80 -1.445 -6.475 -4.798 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.032 -5.079 -7.326 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.317 -5.856 -7.553 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.717 -5.856 -9.019 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.163 -6.292 -9.202 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.101 -5.136 -9.153 1.00 0.00 N ATOM 0 H LYS A 80 0.054 -4.333 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.730 -3.672 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.944 -4.307 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.183 -5.751 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.188 -6.883 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.118 -5.419 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.582 -4.857 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.061 -6.525 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.269 -6.806 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.428 -7.008 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.065 -5.462 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.080 -4.712 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.813 -4.425 -9.856 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.153 -5.243 -4.006 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.464 -6.170 -2.923 1.00 0.00 C ATOM 1258 C LEU A 81 -4.779 -6.896 -3.188 1.00 0.00 C ATOM 1259 O LEU A 81 -5.556 -6.495 -4.054 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.540 -5.422 -1.591 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.373 -4.484 -1.280 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.054 -5.117 -1.694 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.566 -3.144 -1.977 1.00 0.00 C ATOM 0 H LEU A 81 -3.755 -4.421 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.666 -6.911 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.462 -4.840 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.614 -6.156 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.347 -4.311 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.235 -4.435 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.912 -6.050 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.068 -5.320 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.726 -2.489 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.618 -3.299 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.492 -2.684 -1.631 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.021 -7.964 -2.435 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.243 -8.745 -2.589 1.00 0.00 C ATOM 1277 C GLU A 82 -6.722 -9.276 -1.241 1.00 0.00 C ATOM 1278 O GLU A 82 -5.978 -9.949 -0.527 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.014 -9.908 -3.556 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.869 -11.127 -3.254 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.687 -12.234 -4.276 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.723 -11.933 -5.487 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.510 -13.399 -3.864 1.00 0.00 O ATOM 0 H GLU A 82 -4.388 -8.308 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.013 -8.090 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.222 -9.571 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.963 -10.195 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.617 -11.507 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.918 -10.833 -3.225 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.969 -8.969 -0.899 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.548 -9.416 0.361 1.00 0.00 C ATOM 1292 C ALA A 83 -9.102 -10.832 0.239 1.00 0.00 C ATOM 1293 O ALA A 83 -8.944 -11.485 -0.792 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.640 -8.457 0.811 1.00 0.00 C ATOM 0 H ALA A 83 -8.598 -8.412 -1.478 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.758 -9.426 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.063 -8.804 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.217 -7.462 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.424 -8.417 0.054 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.752 -11.301 1.299 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.331 -12.639 1.311 1.00 0.00 C ATOM 1302 C LYS A 84 -11.817 -12.593 0.972 1.00 0.00 C ATOM 1303 O LYS A 84 -12.327 -13.454 0.256 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.130 -13.292 2.681 1.00 0.00 C ATOM 1305 CG LYS A 84 -11.151 -12.857 3.717 1.00 0.00 C ATOM 1306 CD LYS A 84 -11.041 -13.681 4.989 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.875 -14.950 4.905 1.00 0.00 C ATOM 1308 NZ LYS A 84 -11.846 -15.718 6.181 1.00 0.00 N ATOM 0 H LYS A 84 -9.891 -10.774 2.161 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.822 -13.234 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.178 -14.375 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.131 -13.053 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.006 -11.803 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.155 -12.956 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.997 -13.941 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.369 -13.084 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.905 -14.692 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.502 -15.577 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.426 -16.576 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.866 -15.986 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.226 -15.129 6.949 1.00 0.00 H new ATOM 1322 N SER A 85 -12.506 -11.580 1.489 1.00 0.00 N ATOM 1323 CA SER A 85 -13.934 -11.423 1.242 1.00 0.00 C ATOM 1324 C SER A 85 -14.277 -9.966 0.944 1.00 0.00 C ATOM 1325 O SER A 85 -13.489 -9.062 1.223 1.00 0.00 O ATOM 1326 CB SER A 85 -14.739 -11.911 2.449 1.00 0.00 C ATOM 1327 OG SER A 85 -16.129 -11.735 2.240 1.00 0.00 O ATOM 0 H SER A 85 -12.098 -10.856 2.081 1.00 0.00 H new ATOM 0 HA SER A 85 -14.195 -12.025 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.526 -12.964 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.430 -11.365 3.341 1.00 0.00 H new ATOM 0 HG SER A 85 -16.621 -12.056 3.024 1.00 0.00 H new ATOM 1333 N SER A 86 -15.458 -9.747 0.376 1.00 0.00 N ATOM 1334 CA SER A 86 -15.905 -8.401 0.036 1.00 0.00 C ATOM 1335 C SER A 86 -15.775 -7.467 1.235 1.00 0.00 C ATOM 1336 O SER A 86 -15.383 -6.309 1.093 1.00 0.00 O ATOM 1337 CB SER A 86 -17.356 -8.430 -0.447 1.00 0.00 C ATOM 1338 OG SER A 86 -17.861 -7.117 -0.623 1.00 0.00 O ATOM 0 H SER A 86 -16.123 -10.484 0.141 1.00 0.00 H new ATOM 0 HA SER A 86 -15.270 -8.025 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.419 -8.976 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.972 -8.966 0.275 1.00 0.00 H new ATOM 0 HG SER A 86 -18.789 -7.162 -0.934 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.107 -7.979 2.416 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.028 -7.190 3.640 1.00 0.00 C ATOM 1346 C GLU A 87 -14.588 -6.780 3.931 1.00 0.00 C ATOM 1347 O GLU A 87 -14.315 -5.627 4.261 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.594 -7.982 4.821 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.106 -8.128 4.788 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.822 -6.792 4.825 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.635 -6.045 5.807 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.570 -6.494 3.870 1.00 0.00 O ATOM 0 H GLU A 87 -16.433 -8.936 2.551 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.623 -6.287 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.142 -8.974 4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.305 -7.489 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.396 -8.666 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.428 -8.732 5.636 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.671 -7.735 3.807 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.258 -7.473 4.058 1.00 0.00 C ATOM 1361 C GLU A 88 -11.753 -6.327 3.186 1.00 0.00 C ATOM 1362 O GLU A 88 -11.192 -5.353 3.687 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.429 -8.732 3.795 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.087 -8.736 4.507 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.613 -10.135 4.852 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -10.087 -10.690 5.865 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.768 -10.674 4.107 1.00 0.00 O ATOM 0 H GLU A 88 -13.881 -8.695 3.535 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.148 -7.186 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.000 -9.605 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.262 -8.830 2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.343 -8.250 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.163 -8.147 5.421 1.00 0.00 H new ATOM 1374 N MET A 89 -11.957 -6.452 1.879 1.00 0.00 N ATOM 1375 CA MET A 89 -11.523 -5.427 0.937 1.00 0.00 C ATOM 1376 C MET A 89 -12.156 -4.080 1.270 1.00 0.00 C ATOM 1377 O MET A 89 -11.546 -3.030 1.070 1.00 0.00 O ATOM 1378 CB MET A 89 -11.884 -5.833 -0.494 1.00 0.00 C ATOM 1379 CG MET A 89 -13.377 -5.798 -0.778 1.00 0.00 C ATOM 1380 SD MET A 89 -13.745 -5.580 -2.529 1.00 0.00 S ATOM 1381 CE MET A 89 -12.961 -4.001 -2.847 1.00 0.00 C ATOM 0 H MET A 89 -12.420 -7.252 1.448 1.00 0.00 H new ATOM 0 HA MET A 89 -10.440 -5.330 1.018 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.374 -5.168 -1.191 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.510 -6.839 -0.683 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.831 -6.725 -0.428 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.832 -4.986 -0.211 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.639 -3.367 -3.418 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.721 -3.517 -1.900 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.045 -4.158 -3.416 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.384 -4.117 1.779 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.078 -2.893 2.131 1.00 0.00 C ATOM 1393 C GLY A 90 -13.473 -2.210 3.341 1.00 0.00 C ATOM 1394 O GLY A 90 -13.579 -0.993 3.494 1.00 0.00 O ATOM 0 H GLY A 90 -13.910 -4.973 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.055 -2.209 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.126 -3.118 2.331 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.837 -2.995 4.205 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.213 -2.459 5.410 1.00 0.00 C ATOM 1400 C HIS A 91 -10.845 -1.862 5.093 1.00 0.00 C ATOM 1401 O HIS A 91 -10.397 -0.927 5.756 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.073 -3.554 6.467 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.123 -3.202 7.571 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.373 -2.206 8.491 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.917 -3.722 7.900 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.362 -2.127 9.337 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.465 -3.037 9.000 1.00 0.00 N ATOM 0 H HIS A 91 -12.740 -4.004 4.093 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.853 -1.668 5.801 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.054 -3.762 6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.734 -4.471 5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.406 -4.526 7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.282 -1.436 10.163 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.580 -3.203 9.480 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.187 -2.410 4.078 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.870 -1.932 3.674 1.00 0.00 C ATOM 1418 C TRP A 92 -8.987 -0.707 2.773 1.00 0.00 C ATOM 1419 O TRP A 92 -8.250 0.266 2.933 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.101 -3.040 2.952 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.418 -3.993 3.885 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.933 -5.150 4.397 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.094 -3.871 4.417 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.009 -5.753 5.216 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.873 -4.989 5.244 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.074 -2.927 4.273 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.674 -5.186 5.924 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.885 -3.123 4.949 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.692 -4.246 5.766 1.00 0.00 C ATOM 0 H TRP A 92 -10.544 -3.186 3.520 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.324 -1.647 4.573 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.790 -3.596 2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.357 -2.588 2.296 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.921 -5.534 4.189 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.147 -6.628 5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.212 -2.060 3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.524 -6.050 6.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.091 -2.399 4.846 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.751 -4.372 6.280 1.00 0.00 H new ATOM 1440 N LEU A 93 -9.918 -0.762 1.827 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.132 0.344 0.900 1.00 0.00 C ATOM 1442 C LEU A 93 -10.101 1.682 1.632 1.00 0.00 C ATOM 1443 O LEU A 93 -9.253 2.531 1.359 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.469 0.177 0.176 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.451 -0.705 -1.073 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.836 -0.775 -1.698 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.435 -0.184 -2.079 1.00 0.00 C ATOM 0 H LEU A 93 -10.536 -1.560 1.682 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.325 0.333 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.191 -0.239 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.832 1.165 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.157 -1.713 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.803 -1.407 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.539 -1.196 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.160 0.227 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.436 -0.824 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.698 0.833 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.442 -0.188 -1.629 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.031 1.863 2.565 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.091 3.098 3.323 1.00 0.00 C ATOM 1461 C GLY A 94 -9.874 3.298 4.204 1.00 0.00 C ATOM 1462 O GLY A 94 -9.406 4.423 4.385 1.00 0.00 O ATOM 0 H GLY A 94 -11.744 1.176 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.180 3.939 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.988 3.097 3.943 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.359 2.204 4.755 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.189 2.263 5.624 1.00 0.00 C ATOM 1468 C LEU A 95 -6.999 2.878 4.895 1.00 0.00 C ATOM 1469 O LEU A 95 -6.280 3.711 5.448 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.828 0.863 6.123 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.429 0.703 6.720 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.447 1.007 8.210 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.899 -0.701 6.467 1.00 0.00 C ATOM 0 H LEU A 95 -9.733 1.266 4.615 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.434 2.894 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.559 0.568 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.928 0.166 5.291 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.763 1.415 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.443 0.888 8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.784 2.031 8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.127 0.320 8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.903 -0.797 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.566 -1.430 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.848 -0.883 5.393 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.798 2.464 3.648 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.696 2.975 2.841 1.00 0.00 C ATOM 1487 C LEU A 96 -6.009 4.373 2.316 1.00 0.00 C ATOM 1488 O LEU A 96 -5.199 5.292 2.445 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.413 2.031 1.671 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.924 0.630 2.043 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.211 -0.351 0.918 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.437 0.654 2.367 1.00 0.00 C ATOM 0 H LEU A 96 -7.384 1.776 3.175 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.811 3.033 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.324 1.932 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.666 2.496 1.027 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.464 0.300 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.856 -1.342 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.285 -0.389 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.698 -0.026 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.106 -0.351 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.881 1.004 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.258 1.326 3.206 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.189 4.527 1.726 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.611 5.814 1.183 1.00 0.00 C ATOM 1506 C LEU A 97 -7.369 6.935 2.189 1.00 0.00 C ATOM 1507 O LEU A 97 -6.709 7.927 1.881 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.091 5.767 0.800 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.408 5.207 -0.587 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -10.856 4.748 -0.659 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.123 6.247 -1.661 1.00 0.00 C ATOM 0 H LEU A 97 -7.871 3.777 1.611 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.018 6.017 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.619 5.167 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.494 6.778 0.863 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.765 4.345 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.063 4.353 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.028 3.970 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.516 5.592 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.354 5.831 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.740 7.129 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.070 6.528 -1.625 1.00 0.00 H new ATOM 1523 N SER A 98 -7.906 6.768 3.393 1.00 0.00 N ATOM 1524 CA SER A 98 -7.750 7.767 4.444 1.00 0.00 C ATOM 1525 C SER A 98 -6.293 8.200 4.570 1.00 0.00 C ATOM 1526 O SER A 98 -6.000 9.377 4.775 1.00 0.00 O ATOM 1527 CB SER A 98 -8.247 7.213 5.781 1.00 0.00 C ATOM 1528 OG SER A 98 -9.635 7.446 5.945 1.00 0.00 O ATOM 0 H SER A 98 -8.453 5.951 3.665 1.00 0.00 H new ATOM 0 HA SER A 98 -8.348 8.638 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.046 6.143 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.698 7.680 6.599 1.00 0.00 H new ATOM 0 HG SER A 98 -9.928 7.081 6.806 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.383 7.238 4.446 1.00 0.00 N ATOM 1535 CA GLU A 99 -3.956 7.520 4.547 1.00 0.00 C ATOM 1536 C GLU A 99 -3.449 8.218 3.288 1.00 0.00 C ATOM 1537 O GLU A 99 -2.724 9.210 3.365 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.173 6.225 4.776 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.607 5.463 6.017 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.223 6.172 7.301 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -3.954 7.099 7.709 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.191 5.800 7.898 1.00 0.00 O ATOM 0 H GLU A 99 -5.609 6.258 4.276 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.802 8.185 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.290 5.581 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.112 6.461 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.688 5.323 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.156 4.471 6.006 1.00 0.00 H new ATOM 1549 N SER A 100 -3.836 7.692 2.131 1.00 0.00 N ATOM 1550 CA SER A 100 -3.417 8.261 0.855 1.00 0.00 C ATOM 1551 C SER A 100 -4.168 9.558 0.566 1.00 0.00 C ATOM 1552 O SER A 100 -5.359 9.544 0.261 1.00 0.00 O ATOM 1553 CB SER A 100 -3.654 7.259 -0.277 1.00 0.00 C ATOM 1554 OG SER A 100 -5.038 7.039 -0.482 1.00 0.00 O ATOM 0 H SER A 100 -4.439 6.873 2.050 1.00 0.00 H new ATOM 0 HA SER A 100 -2.352 8.484 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.202 7.631 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.164 6.315 -0.040 1.00 0.00 H new ATOM 0 HG SER A 100 -5.551 7.750 -0.044 1.00 0.00 H new