USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 606 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 6 THR OG1 : rot 98:sc= 0.153 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 4 GLN : amide:sc= -1.35 X(o=-1.3,f=-0.99) USER MOD Single : A 5 HIS : no HD1:sc= -0.776 X(o=-0.78,f=-0.81) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.877 X(o=-0.88,f=-1.2) USER MOD Single : A 22 SER OG : rot -156:sc= -0.757 USER MOD Single : A 36 SER OG : rot 34:sc= 0.299 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.3!) USER MOD Single : A 53 GLN : amide:sc=-0.00297 X(o=-0.003,f=0.093) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -135:sc= -0.42 (180deg=-1.56) USER MOD Single : A 62 ASN : amide:sc= -0.523 K(o=-0.52,f=0.9) USER MOD Single : A 65 SER OG : rot -2:sc= 0.0264 USER MOD Single : A 66 MET CE :methyl -120:sc= -4.34 (180deg=-11.2!) USER MOD Single : A 68 ASN : amide:sc= -0.714 K(o=-0.71,f=-4.9!) USER MOD Single : A 71 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-3.3!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -9.53! C(o=-9.5!,f=-6.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 100:sc= -0.641 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.35 K(o=-2.3,f=-1.4) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.293 5.756 -11.618 1.00 0.00 N ATOM 135 CA GLU A 3 3.335 4.644 -12.560 1.00 0.00 C ATOM 136 C GLU A 3 2.720 3.400 -11.931 1.00 0.00 C ATOM 137 O GLU A 3 2.847 3.180 -10.728 1.00 0.00 O ATOM 138 CB GLU A 3 4.777 4.362 -12.988 1.00 0.00 C ATOM 139 CG GLU A 3 4.929 4.103 -14.479 1.00 0.00 C ATOM 140 CD GLU A 3 5.169 5.375 -15.269 1.00 0.00 C ATOM 141 OE1 GLU A 3 4.257 6.225 -15.316 1.00 0.00 O ATOM 142 OE2 GLU A 3 6.269 5.518 -15.843 1.00 0.00 O ATOM 0 HA GLU A 3 2.757 4.914 -13.444 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.403 5.210 -12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.148 3.497 -12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.759 3.416 -14.642 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.031 3.612 -14.852 1.00 0.00 H new ATOM 149 N GLN A 4 2.046 2.593 -12.742 1.00 0.00 N ATOM 150 CA GLN A 4 1.407 1.378 -12.245 1.00 0.00 C ATOM 151 C GLN A 4 2.158 0.131 -12.699 1.00 0.00 C ATOM 152 O GLN A 4 2.413 -0.055 -13.888 1.00 0.00 O ATOM 153 CB GLN A 4 -0.045 1.312 -12.719 1.00 0.00 C ATOM 154 CG GLN A 4 -0.937 0.459 -11.832 1.00 0.00 C ATOM 155 CD GLN A 4 -2.304 0.215 -12.440 1.00 0.00 C ATOM 156 OE1 GLN A 4 -2.616 0.725 -13.517 1.00 0.00 O ATOM 157 NE2 GLN A 4 -3.128 -0.566 -11.752 1.00 0.00 N ATOM 0 H GLN A 4 1.927 2.756 -13.742 1.00 0.00 H new ATOM 0 HA GLN A 4 1.429 1.411 -11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.450 2.323 -12.763 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.069 0.915 -13.734 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.450 -0.498 -11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.056 0.948 -10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.828 -0.967 -10.864 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.062 -0.765 -12.112 1.00 0.00 H new ATOM 166 N HIS A 5 2.503 -0.724 -11.741 1.00 0.00 N ATOM 167 CA HIS A 5 3.220 -1.959 -12.036 1.00 0.00 C ATOM 168 C HIS A 5 2.580 -3.143 -11.318 1.00 0.00 C ATOM 169 O HIS A 5 2.189 -3.040 -10.154 1.00 0.00 O ATOM 170 CB HIS A 5 4.689 -1.833 -11.627 1.00 0.00 C ATOM 171 CG HIS A 5 5.440 -0.801 -12.408 1.00 0.00 C ATOM 172 ND1 HIS A 5 6.517 -0.105 -11.899 1.00 0.00 N ATOM 173 CD2 HIS A 5 5.267 -0.347 -13.673 1.00 0.00 C ATOM 174 CE1 HIS A 5 6.972 0.731 -12.815 1.00 0.00 C ATOM 175 NE2 HIS A 5 6.231 0.603 -13.900 1.00 0.00 N ATOM 0 H HIS A 5 2.297 -0.583 -10.752 1.00 0.00 H new ATOM 0 HA HIS A 5 3.164 -2.134 -13.110 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.743 -1.585 -10.567 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.177 -2.799 -11.753 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.511 -0.672 -14.372 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.808 1.405 -12.696 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.355 1.126 -14.767 1.00 0.00 H new ATOM 184 N THR A 6 2.479 -4.268 -12.020 1.00 0.00 N ATOM 185 CA THR A 6 1.889 -5.476 -11.452 1.00 0.00 C ATOM 186 C THR A 6 2.920 -6.596 -11.370 1.00 0.00 C ATOM 187 O THR A 6 3.500 -6.995 -12.379 1.00 0.00 O ATOM 188 CB THR A 6 0.693 -5.929 -12.291 1.00 0.00 C ATOM 189 OG1 THR A 6 0.130 -7.116 -11.760 1.00 0.00 O ATOM 190 CG2 THR A 6 1.044 -6.195 -13.738 1.00 0.00 C ATOM 0 H THR A 6 2.798 -4.368 -12.984 1.00 0.00 H new ATOM 0 HA THR A 6 1.548 -5.244 -10.443 1.00 0.00 H new ATOM 0 HB THR A 6 -0.017 -5.103 -12.253 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.646 -6.890 -11.206 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.151 -6.513 -14.277 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.436 -5.284 -14.191 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.798 -6.980 -13.791 1.00 0.00 H new ATOM 198 N VAL A 7 3.144 -7.100 -10.161 1.00 0.00 N ATOM 199 CA VAL A 7 4.107 -8.174 -9.947 1.00 0.00 C ATOM 200 C VAL A 7 3.445 -9.389 -9.304 1.00 0.00 C ATOM 201 O VAL A 7 2.508 -9.256 -8.518 1.00 0.00 O ATOM 202 CB VAL A 7 5.277 -7.712 -9.058 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.364 -8.774 -9.010 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.836 -6.388 -9.558 1.00 0.00 C ATOM 0 H VAL A 7 2.672 -6.782 -9.315 1.00 0.00 H new ATOM 0 HA VAL A 7 4.493 -8.451 -10.928 1.00 0.00 H new ATOM 0 HB VAL A 7 4.903 -7.563 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.182 -8.429 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.953 -9.697 -8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.737 -8.958 -10.017 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.662 -6.077 -8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.194 -6.507 -10.580 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.053 -5.630 -9.534 1.00 0.00 H new ATOM 214 N THR A 8 3.942 -10.574 -9.646 1.00 0.00 N ATOM 215 CA THR A 8 3.404 -11.818 -9.106 1.00 0.00 C ATOM 216 C THR A 8 4.310 -12.375 -8.012 1.00 0.00 C ATOM 217 O THR A 8 5.443 -12.776 -8.277 1.00 0.00 O ATOM 218 CB THR A 8 3.237 -12.852 -10.219 1.00 0.00 C ATOM 219 OG1 THR A 8 2.477 -12.319 -11.289 1.00 0.00 O ATOM 220 CG2 THR A 8 2.555 -14.123 -9.761 1.00 0.00 C ATOM 0 H THR A 8 4.718 -10.699 -10.296 1.00 0.00 H new ATOM 0 HA THR A 8 2.429 -11.602 -8.670 1.00 0.00 H new ATOM 0 HB THR A 8 4.250 -13.098 -10.537 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.383 -12.995 -11.992 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.469 -14.813 -10.601 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.143 -14.587 -8.969 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.561 -13.886 -9.383 1.00 0.00 H new ATOM 228 N LEU A 9 3.805 -12.395 -6.782 1.00 0.00 N ATOM 229 CA LEU A 9 4.572 -12.903 -5.651 1.00 0.00 C ATOM 230 C LEU A 9 4.056 -14.269 -5.213 1.00 0.00 C ATOM 231 O LEU A 9 2.918 -14.399 -4.761 1.00 0.00 O ATOM 232 CB LEU A 9 4.509 -11.921 -4.481 1.00 0.00 C ATOM 233 CG LEU A 9 4.706 -10.451 -4.857 1.00 0.00 C ATOM 234 CD1 LEU A 9 3.928 -9.549 -3.911 1.00 0.00 C ATOM 235 CD2 LEU A 9 6.185 -10.092 -4.842 1.00 0.00 C ATOM 0 H LEU A 9 2.869 -12.066 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 9 5.609 -13.011 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.542 -12.028 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.270 -12.199 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 9 4.325 -10.299 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.080 -8.507 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.866 -9.790 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.279 -9.703 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.308 -9.043 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.590 -10.260 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.718 -10.716 -5.560 1.00 0.00 H new ATOM 247 N HIS A 10 4.901 -15.287 -5.346 1.00 0.00 N ATOM 248 CA HIS A 10 4.529 -16.643 -4.961 1.00 0.00 C ATOM 249 C HIS A 10 4.628 -16.823 -3.450 1.00 0.00 C ATOM 250 O HIS A 10 5.709 -16.707 -2.871 1.00 0.00 O ATOM 251 CB HIS A 10 5.424 -17.661 -5.670 1.00 0.00 C ATOM 252 CG HIS A 10 6.885 -17.358 -5.552 1.00 0.00 C ATOM 253 ND1 HIS A 10 7.670 -17.821 -4.517 1.00 0.00 N ATOM 254 CD2 HIS A 10 7.707 -16.634 -6.349 1.00 0.00 C ATOM 255 CE1 HIS A 10 8.909 -17.395 -4.682 1.00 0.00 C ATOM 256 NE2 HIS A 10 8.959 -16.673 -5.785 1.00 0.00 N ATOM 0 H HIS A 10 5.847 -15.198 -5.717 1.00 0.00 H new ATOM 0 HA HIS A 10 3.495 -16.811 -5.262 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.232 -18.651 -5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.153 -17.698 -6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.430 -16.122 -7.258 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.741 -17.603 -4.025 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.792 -16.218 -6.158 1.00 0.00 H new ATOM 265 N ARG A 11 3.495 -17.105 -2.815 1.00 0.00 N ATOM 266 CA ARG A 11 3.456 -17.298 -1.371 1.00 0.00 C ATOM 267 C ARG A 11 4.376 -18.438 -0.946 1.00 0.00 C ATOM 268 O ARG A 11 4.378 -19.509 -1.553 1.00 0.00 O ATOM 269 CB ARG A 11 2.024 -17.583 -0.911 1.00 0.00 C ATOM 270 CG ARG A 11 1.031 -16.505 -1.311 1.00 0.00 C ATOM 271 CD ARG A 11 -0.328 -16.728 -0.666 1.00 0.00 C ATOM 272 NE ARG A 11 -0.387 -16.184 0.690 1.00 0.00 N ATOM 273 CZ ARG A 11 -0.081 -16.876 1.787 1.00 0.00 C ATOM 274 NH1 ARG A 11 0.311 -18.142 1.697 1.00 0.00 N ATOM 275 NH2 ARG A 11 -0.168 -16.301 2.977 1.00 0.00 N ATOM 0 H ARG A 11 2.592 -17.205 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 11 3.806 -16.380 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.700 -18.536 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.014 -17.690 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.417 -15.528 -1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.922 -16.494 -2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.100 -16.262 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.545 -17.796 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.681 -15.214 0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.380 -18.591 0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.544 -18.665 2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.469 -15.329 3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.066 -16.830 3.817 1.00 0.00 H new ATOM 289 N ALA A 12 5.158 -18.198 0.102 1.00 0.00 N ATOM 290 CA ALA A 12 6.087 -19.200 0.613 1.00 0.00 C ATOM 291 C ALA A 12 5.762 -19.560 2.060 1.00 0.00 C ATOM 292 O ALA A 12 5.099 -18.798 2.765 1.00 0.00 O ATOM 293 CB ALA A 12 7.519 -18.700 0.497 1.00 0.00 C ATOM 0 H ALA A 12 5.167 -17.316 0.615 1.00 0.00 H new ATOM 0 HA ALA A 12 5.981 -20.102 0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.201 -19.458 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.751 -18.501 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.632 -17.783 1.075 1.00 0.00 H new ATOM 299 N PRO A 13 6.227 -20.732 2.526 1.00 0.00 N ATOM 300 CA PRO A 13 5.983 -21.191 3.898 1.00 0.00 C ATOM 301 C PRO A 13 6.612 -20.268 4.936 1.00 0.00 C ATOM 302 O PRO A 13 7.709 -19.746 4.735 1.00 0.00 O ATOM 303 CB PRO A 13 6.639 -22.575 3.943 1.00 0.00 C ATOM 304 CG PRO A 13 7.622 -22.572 2.824 1.00 0.00 C ATOM 305 CD PRO A 13 7.027 -21.700 1.756 1.00 0.00 C ATOM 0 HA PRO A 13 4.919 -21.207 4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.131 -22.748 4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.900 -23.366 3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.586 -22.184 3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.794 -23.582 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.797 -21.206 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.410 -22.273 1.064 1.00 0.00 H new ATOM 313 N GLY A 14 5.909 -20.070 6.047 1.00 0.00 N ATOM 314 CA GLY A 14 6.414 -19.209 7.099 1.00 0.00 C ATOM 315 C GLY A 14 5.723 -17.860 7.126 1.00 0.00 C ATOM 316 O GLY A 14 5.440 -17.321 8.197 1.00 0.00 O ATOM 0 H GLY A 14 4.999 -20.491 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.281 -19.701 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.485 -19.062 6.961 1.00 0.00 H new ATOM 320 N PHE A 15 5.451 -17.313 5.946 1.00 0.00 N ATOM 321 CA PHE A 15 4.789 -16.018 5.836 1.00 0.00 C ATOM 322 C PHE A 15 3.742 -16.034 4.725 1.00 0.00 C ATOM 323 O PHE A 15 2.541 -16.016 4.991 1.00 0.00 O ATOM 324 CB PHE A 15 5.818 -14.918 5.570 1.00 0.00 C ATOM 325 CG PHE A 15 6.907 -14.854 6.604 1.00 0.00 C ATOM 326 CD1 PHE A 15 6.597 -14.833 7.954 1.00 0.00 C ATOM 327 CD2 PHE A 15 8.240 -14.813 6.225 1.00 0.00 C ATOM 328 CE1 PHE A 15 7.597 -14.774 8.908 1.00 0.00 C ATOM 329 CE2 PHE A 15 9.244 -14.753 7.173 1.00 0.00 C ATOM 330 CZ PHE A 15 8.921 -14.734 8.517 1.00 0.00 C ATOM 0 H PHE A 15 5.679 -17.747 5.051 1.00 0.00 H new ATOM 0 HA PHE A 15 4.285 -15.813 6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.267 -15.081 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.308 -13.956 5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.563 -14.863 8.265 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.497 -14.828 5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.343 -14.759 9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.278 -14.721 6.864 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.703 -14.688 9.260 1.00 0.00 H new ATOM 340 N GLY A 16 4.206 -16.069 3.479 1.00 0.00 N ATOM 341 CA GLY A 16 3.296 -16.089 2.349 1.00 0.00 C ATOM 342 C GLY A 16 3.395 -14.836 1.499 1.00 0.00 C ATOM 343 O GLY A 16 4.365 -14.649 0.765 1.00 0.00 O ATOM 0 H GLY A 16 5.196 -16.084 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.509 -16.961 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.274 -16.198 2.712 1.00 0.00 H new ATOM 347 N PHE A 17 2.385 -13.979 1.597 1.00 0.00 N ATOM 348 CA PHE A 17 2.357 -12.737 0.826 1.00 0.00 C ATOM 349 C PHE A 17 3.556 -11.855 1.162 1.00 0.00 C ATOM 350 O PHE A 17 4.115 -11.195 0.285 1.00 0.00 O ATOM 351 CB PHE A 17 1.055 -11.964 1.078 1.00 0.00 C ATOM 352 CG PHE A 17 0.477 -12.159 2.453 1.00 0.00 C ATOM 353 CD1 PHE A 17 1.105 -11.625 3.566 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.693 -12.880 2.629 1.00 0.00 C ATOM 355 CE1 PHE A 17 0.575 -11.804 4.829 1.00 0.00 C ATOM 356 CE2 PHE A 17 -1.227 -13.063 3.890 1.00 0.00 C ATOM 357 CZ PHE A 17 -0.592 -12.525 4.992 1.00 0.00 C ATOM 0 H PHE A 17 1.575 -14.119 2.201 1.00 0.00 H new ATOM 0 HA PHE A 17 2.407 -13.006 -0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.241 -10.901 0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.315 -12.270 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.019 -11.063 3.445 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.193 -13.304 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.073 -11.380 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.140 -13.626 4.014 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.007 -12.668 5.979 1.00 0.00 H new ATOM 367 N GLY A 18 3.949 -11.848 2.431 1.00 0.00 N ATOM 368 CA GLY A 18 5.083 -11.043 2.851 1.00 0.00 C ATOM 369 C GLY A 18 4.688 -9.645 3.297 1.00 0.00 C ATOM 370 O GLY A 18 5.427 -8.995 4.038 1.00 0.00 O ATOM 0 H GLY A 18 3.504 -12.384 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.596 -11.548 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.793 -10.968 2.027 1.00 0.00 H new ATOM 374 N ILE A 19 3.527 -9.177 2.844 1.00 0.00 N ATOM 375 CA ILE A 19 3.049 -7.845 3.204 1.00 0.00 C ATOM 376 C ILE A 19 1.697 -7.912 3.907 1.00 0.00 C ATOM 377 O ILE A 19 1.010 -8.931 3.854 1.00 0.00 O ATOM 378 CB ILE A 19 2.920 -6.942 1.961 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.017 -7.600 0.913 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.294 -6.643 1.375 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.808 -6.764 0.549 1.00 0.00 C ATOM 0 H ILE A 19 2.902 -9.699 2.229 1.00 0.00 H new ATOM 0 HA ILE A 19 3.787 -7.420 3.884 1.00 0.00 H new ATOM 0 HB ILE A 19 2.464 -5.999 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.600 -7.794 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.681 -8.566 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.185 -6.005 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.905 -6.134 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.777 -7.576 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.213 -7.290 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.203 -6.592 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.136 -5.807 0.143 1.00 0.00 H new ATOM 393 N ALA A 20 1.321 -6.819 4.566 1.00 0.00 N ATOM 394 CA ALA A 20 0.049 -6.757 5.277 1.00 0.00 C ATOM 395 C ALA A 20 -0.896 -5.754 4.625 1.00 0.00 C ATOM 396 O ALA A 20 -0.604 -4.559 4.562 1.00 0.00 O ATOM 397 CB ALA A 20 0.276 -6.400 6.739 1.00 0.00 C ATOM 0 H ALA A 20 1.878 -5.966 4.622 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.416 -7.741 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.683 -6.358 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.906 -7.157 7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.767 -5.429 6.804 1.00 0.00 H new ATOM 403 N ILE A 21 -2.032 -6.248 4.142 1.00 0.00 N ATOM 404 CA ILE A 21 -3.021 -5.397 3.493 1.00 0.00 C ATOM 405 C ILE A 21 -3.876 -4.662 4.521 1.00 0.00 C ATOM 406 O ILE A 21 -4.390 -5.265 5.463 1.00 0.00 O ATOM 407 CB ILE A 21 -3.939 -6.213 2.559 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.872 -5.282 1.780 1.00 0.00 C ATOM 409 CG2 ILE A 21 -4.742 -7.233 3.355 1.00 0.00 C ATOM 410 CD1 ILE A 21 -5.066 -5.690 0.336 1.00 0.00 C ATOM 0 H ILE A 21 -2.290 -7.234 4.188 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.470 -4.668 2.899 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.315 -6.751 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.843 -5.256 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.471 -4.269 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.383 -7.799 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.061 -7.915 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.357 -6.717 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.738 -4.986 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.103 -5.688 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.496 -6.691 0.295 1.00 0.00 H new ATOM 422 N SER A 22 -4.024 -3.355 4.331 1.00 0.00 N ATOM 423 CA SER A 22 -4.817 -2.536 5.239 1.00 0.00 C ATOM 424 C SER A 22 -5.712 -1.576 4.461 1.00 0.00 C ATOM 425 O SER A 22 -5.266 -0.922 3.518 1.00 0.00 O ATOM 426 CB SER A 22 -3.901 -1.751 6.182 1.00 0.00 C ATOM 427 OG SER A 22 -4.241 -1.989 7.537 1.00 0.00 O ATOM 0 H SER A 22 -3.605 -2.841 3.556 1.00 0.00 H new ATOM 0 HA SER A 22 -5.451 -3.198 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.864 -2.037 6.008 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.978 -0.685 5.966 1.00 0.00 H new ATOM 0 HG SER A 22 -3.938 -1.237 8.087 1.00 0.00 H new ATOM 433 N GLY A 23 -6.976 -1.497 4.862 1.00 0.00 N ATOM 434 CA GLY A 23 -7.912 -0.614 4.191 1.00 0.00 C ATOM 435 C GLY A 23 -9.349 -1.080 4.319 1.00 0.00 C ATOM 436 O GLY A 23 -9.709 -1.752 5.285 1.00 0.00 O ATOM 0 H GLY A 23 -7.369 -2.028 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.821 0.389 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.649 -0.546 3.135 1.00 0.00 H new ATOM 440 N GLY A 24 -10.172 -0.720 3.340 1.00 0.00 N ATOM 441 CA GLY A 24 -11.571 -1.108 3.363 1.00 0.00 C ATOM 442 C GLY A 24 -12.489 0.016 2.925 1.00 0.00 C ATOM 443 O GLY A 24 -12.814 0.902 3.714 1.00 0.00 O ATOM 0 H GLY A 24 -9.895 -0.166 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.717 -1.969 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.842 -1.423 4.371 1.00 0.00 H new ATOM 447 N ARG A 25 -12.901 -0.017 1.662 1.00 0.00 N ATOM 448 CA ARG A 25 -13.781 1.013 1.117 1.00 0.00 C ATOM 449 C ARG A 25 -15.198 0.888 1.669 1.00 0.00 C ATOM 450 O ARG A 25 -15.936 1.870 1.738 1.00 0.00 O ATOM 451 CB ARG A 25 -13.811 0.929 -0.408 1.00 0.00 C ATOM 452 CG ARG A 25 -14.621 2.036 -1.064 1.00 0.00 C ATOM 453 CD ARG A 25 -13.725 3.147 -1.588 1.00 0.00 C ATOM 454 NE ARG A 25 -14.493 4.317 -2.010 1.00 0.00 N ATOM 455 CZ ARG A 25 -15.246 4.352 -3.107 1.00 0.00 C ATOM 456 NH1 ARG A 25 -15.333 3.289 -3.896 1.00 0.00 N ATOM 457 NH2 ARG A 25 -15.914 5.456 -3.417 1.00 0.00 N ATOM 0 H ARG A 25 -12.640 -0.745 0.996 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.383 1.982 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.789 0.966 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.225 -0.035 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.207 1.622 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.328 2.447 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.017 3.439 -0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -13.140 2.775 -2.429 1.00 0.00 H new ATOM 0 HE ARG A 25 -14.449 5.155 -1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.821 2.438 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.912 3.323 -4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.850 6.277 -2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.491 5.484 -4.257 1.00 0.00 H new ATOM 613 N SER A 36 -8.485 4.213 -1.255 1.00 0.00 N ATOM 614 CA SER A 36 -8.085 2.896 -1.735 1.00 0.00 C ATOM 615 C SER A 36 -7.405 2.096 -0.629 1.00 0.00 C ATOM 616 O SER A 36 -7.300 2.555 0.509 1.00 0.00 O ATOM 617 CB SER A 36 -7.143 3.032 -2.933 1.00 0.00 C ATOM 618 OG SER A 36 -7.611 4.015 -3.839 1.00 0.00 O ATOM 0 HA SER A 36 -8.983 2.362 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.144 3.298 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.058 2.073 -3.444 1.00 0.00 H new ATOM 0 HG SER A 36 -8.057 4.732 -3.342 1.00 0.00 H new ATOM 624 N ILE A 37 -6.946 0.896 -0.970 1.00 0.00 N ATOM 625 CA ILE A 37 -6.277 0.033 -0.006 1.00 0.00 C ATOM 626 C ILE A 37 -4.799 0.385 0.116 1.00 0.00 C ATOM 627 O ILE A 37 -4.175 0.832 -0.847 1.00 0.00 O ATOM 628 CB ILE A 37 -6.407 -1.453 -0.396 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.868 -1.800 -0.686 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.855 -2.342 0.708 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.069 -3.225 -1.155 1.00 0.00 C ATOM 0 H ILE A 37 -7.026 0.500 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.767 0.194 0.954 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.825 -1.628 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.458 -1.636 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.251 -1.119 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.954 -3.388 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.803 -2.109 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.412 -2.167 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.128 -3.401 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.507 -3.388 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.717 -3.914 -0.387 1.00 0.00 H new ATOM 643 N VAL A 38 -4.244 0.183 1.307 1.00 0.00 N ATOM 644 CA VAL A 38 -2.841 0.479 1.556 1.00 0.00 C ATOM 645 C VAL A 38 -2.184 -0.629 2.372 1.00 0.00 C ATOM 646 O VAL A 38 -2.866 -1.456 2.978 1.00 0.00 O ATOM 647 CB VAL A 38 -2.668 1.817 2.301 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.581 2.971 1.313 1.00 0.00 C ATOM 649 CG2 VAL A 38 -3.802 2.038 3.291 1.00 0.00 C ATOM 0 H VAL A 38 -4.747 -0.185 2.115 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.357 0.550 0.582 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.735 1.776 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.459 3.908 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.727 2.821 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.495 3.012 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.657 2.989 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.752 2.055 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.810 1.229 4.022 1.00 0.00 H new ATOM 659 N ILE A 39 -0.855 -0.640 2.386 1.00 0.00 N ATOM 660 CA ILE A 39 -0.106 -1.646 3.129 1.00 0.00 C ATOM 661 C ILE A 39 0.179 -1.175 4.551 1.00 0.00 C ATOM 662 O ILE A 39 0.850 -0.165 4.760 1.00 0.00 O ATOM 663 CB ILE A 39 1.226 -1.983 2.429 1.00 0.00 C ATOM 664 CG1 ILE A 39 0.977 -2.362 0.967 1.00 0.00 C ATOM 665 CG2 ILE A 39 1.946 -3.107 3.160 1.00 0.00 C ATOM 666 CD1 ILE A 39 1.960 -1.735 0.004 1.00 0.00 C ATOM 0 H ILE A 39 -0.275 0.037 1.891 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.723 -2.544 3.165 1.00 0.00 H new ATOM 0 HB ILE A 39 1.863 -1.099 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.025 -3.446 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.033 -2.061 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.884 -3.330 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.154 -2.800 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.317 -3.997 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.723 -2.048 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.896 -0.649 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.971 -2.056 0.256 1.00 0.00 H new ATOM 678 N SER A 40 -0.338 -1.913 5.529 1.00 0.00 N ATOM 679 CA SER A 40 -0.141 -1.570 6.933 1.00 0.00 C ATOM 680 C SER A 40 1.330 -1.693 7.320 1.00 0.00 C ATOM 681 O SER A 40 1.988 -0.698 7.622 1.00 0.00 O ATOM 682 CB SER A 40 -0.995 -2.473 7.826 1.00 0.00 C ATOM 683 OG SER A 40 -0.524 -2.464 9.162 1.00 0.00 O ATOM 0 H SER A 40 -0.897 -2.752 5.375 1.00 0.00 H new ATOM 0 HA SER A 40 -0.451 -0.535 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.032 -2.138 7.801 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.979 -3.492 7.439 1.00 0.00 H new ATOM 0 HG SER A 40 -1.088 -3.047 9.712 1.00 0.00 H new ATOM 689 N ASP A 41 1.837 -2.921 7.309 1.00 0.00 N ATOM 690 CA ASP A 41 3.229 -3.177 7.659 1.00 0.00 C ATOM 691 C ASP A 41 3.743 -4.423 6.948 1.00 0.00 C ATOM 692 O ASP A 41 2.967 -5.312 6.594 1.00 0.00 O ATOM 693 CB ASP A 41 3.377 -3.340 9.172 1.00 0.00 C ATOM 694 CG ASP A 41 3.656 -2.024 9.872 1.00 0.00 C ATOM 695 OD1 ASP A 41 4.746 -1.456 9.653 1.00 0.00 O ATOM 696 OD2 ASP A 41 2.784 -1.562 10.636 1.00 0.00 O ATOM 0 H ASP A 41 1.304 -3.755 7.061 1.00 0.00 H new ATOM 0 HA ASP A 41 3.823 -2.322 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.465 -3.778 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.187 -4.039 9.382 1.00 0.00 H new ATOM 701 N VAL A 42 5.054 -4.484 6.739 1.00 0.00 N ATOM 702 CA VAL A 42 5.665 -5.625 6.068 1.00 0.00 C ATOM 703 C VAL A 42 6.696 -6.307 6.960 1.00 0.00 C ATOM 704 O VAL A 42 7.523 -5.647 7.590 1.00 0.00 O ATOM 705 CB VAL A 42 6.343 -5.208 4.751 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.311 -4.697 3.757 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.415 -4.156 5.008 1.00 0.00 C ATOM 0 H VAL A 42 5.712 -3.759 7.024 1.00 0.00 H new ATOM 0 HA VAL A 42 4.859 -6.325 5.849 1.00 0.00 H new ATOM 0 HB VAL A 42 6.826 -6.085 4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.809 -4.407 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.587 -5.484 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.797 -3.833 4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.882 -3.875 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.960 -3.277 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.171 -4.563 5.680 1.00 0.00 H new ATOM 717 N LEU A 43 6.641 -7.632 7.003 1.00 0.00 N ATOM 718 CA LEU A 43 7.569 -8.413 7.812 1.00 0.00 C ATOM 719 C LEU A 43 9.011 -8.165 7.378 1.00 0.00 C ATOM 720 O LEU A 43 9.938 -8.280 8.180 1.00 0.00 O ATOM 721 CB LEU A 43 7.242 -9.904 7.704 1.00 0.00 C ATOM 722 CG LEU A 43 6.849 -10.380 6.302 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.767 -11.501 5.837 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.396 -10.835 6.280 1.00 0.00 C ATOM 0 H LEU A 43 5.962 -8.190 6.486 1.00 0.00 H new ATOM 0 HA LEU A 43 7.461 -8.098 8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.109 -10.476 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.427 -10.133 8.391 1.00 0.00 H new ATOM 0 HG LEU A 43 6.958 -9.542 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.470 -11.824 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.796 -11.142 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.694 -12.341 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.135 -11.170 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.261 -11.657 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.750 -10.004 6.565 1.00 0.00 H new ATOM 736 N LYS A 44 9.194 -7.829 6.103 1.00 0.00 N ATOM 737 CA LYS A 44 10.524 -7.569 5.562 1.00 0.00 C ATOM 738 C LYS A 44 11.350 -8.851 5.516 1.00 0.00 C ATOM 739 O LYS A 44 12.575 -8.817 5.636 1.00 0.00 O ATOM 740 CB LYS A 44 11.247 -6.511 6.400 1.00 0.00 C ATOM 741 CG LYS A 44 12.291 -5.726 5.622 1.00 0.00 C ATOM 742 CD LYS A 44 12.967 -4.681 6.493 1.00 0.00 C ATOM 743 CE LYS A 44 13.886 -5.322 7.520 1.00 0.00 C ATOM 744 NZ LYS A 44 14.817 -4.331 8.128 1.00 0.00 N ATOM 0 H LYS A 44 8.437 -7.731 5.426 1.00 0.00 H new ATOM 0 HA LYS A 44 10.407 -7.194 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.511 -5.817 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.728 -6.998 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.041 -6.410 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.820 -5.239 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.541 -3.999 5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.210 -4.085 7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.287 -5.786 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.461 -6.117 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.426 -4.808 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.407 -3.907 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.269 -3.585 8.603 1.00 0.00 H new ATOM 758 N GLY A 45 10.671 -9.980 5.342 1.00 0.00 N ATOM 759 CA GLY A 45 11.356 -11.257 5.281 1.00 0.00 C ATOM 760 C GLY A 45 10.666 -12.249 4.363 1.00 0.00 C ATOM 761 O GLY A 45 10.916 -13.451 4.440 1.00 0.00 O ATOM 0 H GLY A 45 9.657 -10.033 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.378 -11.100 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.419 -11.679 6.284 1.00 0.00 H new ATOM 765 N GLY A 46 9.796 -11.745 3.492 1.00 0.00 N ATOM 766 CA GLY A 46 9.086 -12.611 2.570 1.00 0.00 C ATOM 767 C GLY A 46 9.201 -12.143 1.131 1.00 0.00 C ATOM 768 O GLY A 46 9.966 -11.224 0.836 1.00 0.00 O ATOM 0 H GLY A 46 9.571 -10.754 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.479 -13.624 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.034 -12.653 2.852 1.00 0.00 H new ATOM 772 N PRO A 47 8.450 -12.762 0.204 1.00 0.00 N ATOM 773 CA PRO A 47 8.482 -12.392 -1.214 1.00 0.00 C ATOM 774 C PRO A 47 8.212 -10.907 -1.434 1.00 0.00 C ATOM 775 O PRO A 47 8.660 -10.324 -2.422 1.00 0.00 O ATOM 776 CB PRO A 47 7.362 -13.235 -1.831 1.00 0.00 C ATOM 777 CG PRO A 47 7.203 -14.392 -0.907 1.00 0.00 C ATOM 778 CD PRO A 47 7.512 -13.868 0.467 1.00 0.00 C ATOM 0 HA PRO A 47 9.462 -12.572 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.437 -12.664 -1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.623 -13.565 -2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.190 -14.793 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.879 -15.203 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.613 -13.521 0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.961 -14.635 1.099 1.00 0.00 H new ATOM 786 N ALA A 48 7.474 -10.301 -0.509 1.00 0.00 N ATOM 787 CA ALA A 48 7.142 -8.883 -0.604 1.00 0.00 C ATOM 788 C ALA A 48 7.781 -8.087 0.529 1.00 0.00 C ATOM 789 O ALA A 48 7.207 -7.111 1.012 1.00 0.00 O ATOM 790 CB ALA A 48 5.633 -8.697 -0.598 1.00 0.00 C ATOM 0 H ALA A 48 7.095 -10.769 0.314 1.00 0.00 H new ATOM 0 HA ALA A 48 7.543 -8.504 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.397 -7.635 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.198 -9.223 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.221 -9.099 0.327 1.00 0.00 H new ATOM 796 N GLU A 49 8.971 -8.507 0.947 1.00 0.00 N ATOM 797 CA GLU A 49 9.687 -7.830 2.023 1.00 0.00 C ATOM 798 C GLU A 49 9.900 -6.355 1.696 1.00 0.00 C ATOM 799 O GLU A 49 9.652 -5.482 2.527 1.00 0.00 O ATOM 800 CB GLU A 49 11.037 -8.507 2.270 1.00 0.00 C ATOM 801 CG GLU A 49 11.930 -8.550 1.040 1.00 0.00 C ATOM 802 CD GLU A 49 13.211 -9.324 1.277 1.00 0.00 C ATOM 803 OE1 GLU A 49 13.183 -10.568 1.163 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.243 -8.687 1.578 1.00 0.00 O ATOM 0 H GLU A 49 9.460 -9.313 0.557 1.00 0.00 H new ATOM 0 HA GLU A 49 9.080 -7.899 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.558 -7.979 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.865 -9.525 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.383 -9.004 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.176 -7.532 0.738 1.00 0.00 H new ATOM 811 N GLY A 50 10.362 -6.084 0.479 1.00 0.00 N ATOM 812 CA GLY A 50 10.601 -4.714 0.064 1.00 0.00 C ATOM 813 C GLY A 50 10.043 -4.420 -1.314 1.00 0.00 C ATOM 814 O GLY A 50 10.605 -3.617 -2.060 1.00 0.00 O ATOM 0 H GLY A 50 10.575 -6.789 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.150 -4.035 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.673 -4.518 0.068 1.00 0.00 H new ATOM 818 N GLN A 51 8.934 -5.069 -1.653 1.00 0.00 N ATOM 819 CA GLN A 51 8.299 -4.871 -2.951 1.00 0.00 C ATOM 820 C GLN A 51 7.040 -4.021 -2.816 1.00 0.00 C ATOM 821 O GLN A 51 6.813 -3.101 -3.603 1.00 0.00 O ATOM 822 CB GLN A 51 7.952 -6.221 -3.583 1.00 0.00 C ATOM 823 CG GLN A 51 9.168 -7.084 -3.879 1.00 0.00 C ATOM 824 CD GLN A 51 9.117 -7.710 -5.260 1.00 0.00 C ATOM 825 OE1 GLN A 51 8.597 -7.116 -6.205 1.00 0.00 O ATOM 826 NE2 GLN A 51 9.658 -8.916 -5.383 1.00 0.00 N ATOM 0 H GLN A 51 8.456 -5.736 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 51 9.003 -4.346 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.285 -6.765 -2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.404 -6.049 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.069 -6.477 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.241 -7.872 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.078 -9.371 -4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.653 -9.387 -6.288 1.00 0.00 H new ATOM 835 N LEU A 52 6.226 -4.334 -1.814 1.00 0.00 N ATOM 836 CA LEU A 52 4.989 -3.600 -1.575 1.00 0.00 C ATOM 837 C LEU A 52 5.022 -2.907 -0.216 1.00 0.00 C ATOM 838 O LEU A 52 4.917 -3.555 0.825 1.00 0.00 O ATOM 839 CB LEU A 52 3.789 -4.544 -1.651 1.00 0.00 C ATOM 840 CG LEU A 52 3.836 -5.560 -2.794 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.996 -6.782 -2.459 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.361 -4.923 -4.091 1.00 0.00 C ATOM 0 H LEU A 52 6.401 -5.092 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 52 4.892 -2.838 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.711 -5.085 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.882 -3.947 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 52 4.869 -5.882 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.042 -7.493 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.381 -7.251 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.961 -6.479 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.401 -5.659 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.336 -4.573 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.006 -4.080 -4.340 1.00 0.00 H new ATOM 854 N GLN A 53 5.169 -1.586 -0.233 1.00 0.00 N ATOM 855 CA GLN A 53 5.215 -0.806 0.997 1.00 0.00 C ATOM 856 C GLN A 53 4.243 0.368 0.934 1.00 0.00 C ATOM 857 O GLN A 53 3.633 0.626 -0.103 1.00 0.00 O ATOM 858 CB GLN A 53 6.635 -0.294 1.247 1.00 0.00 C ATOM 859 CG GLN A 53 7.128 0.676 0.186 1.00 0.00 C ATOM 860 CD GLN A 53 8.514 0.331 -0.324 1.00 0.00 C ATOM 861 OE1 GLN A 53 8.728 0.191 -1.527 1.00 0.00 O ATOM 862 NE2 GLN A 53 9.464 0.190 0.594 1.00 0.00 N ATOM 0 H GLN A 53 5.258 -1.034 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 53 4.919 -1.455 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.669 0.197 2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.316 -1.144 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.428 0.680 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.138 1.685 0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.242 0.315 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.416 -0.044 0.311 1.00 0.00 H new ATOM 871 N GLU A 54 4.104 1.076 2.052 1.00 0.00 N ATOM 872 CA GLU A 54 3.206 2.225 2.127 1.00 0.00 C ATOM 873 C GLU A 54 3.439 3.181 0.961 1.00 0.00 C ATOM 874 O GLU A 54 2.511 3.837 0.488 1.00 0.00 O ATOM 875 CB GLU A 54 3.401 2.964 3.453 1.00 0.00 C ATOM 876 CG GLU A 54 2.111 3.521 4.034 1.00 0.00 C ATOM 877 CD GLU A 54 2.327 4.225 5.359 1.00 0.00 C ATOM 878 OE1 GLU A 54 2.445 3.528 6.389 1.00 0.00 O ATOM 879 OE2 GLU A 54 2.379 5.473 5.367 1.00 0.00 O ATOM 0 H GLU A 54 4.602 0.874 2.919 1.00 0.00 H new ATOM 0 HA GLU A 54 2.182 1.856 2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.851 2.284 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.105 3.782 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.668 4.219 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.397 2.709 4.170 1.00 0.00 H new ATOM 886 N ASN A 55 4.683 3.251 0.499 1.00 0.00 N ATOM 887 CA ASN A 55 5.037 4.123 -0.614 1.00 0.00 C ATOM 888 C ASN A 55 4.369 3.652 -1.901 1.00 0.00 C ATOM 889 O ASN A 55 4.058 4.455 -2.781 1.00 0.00 O ATOM 890 CB ASN A 55 6.555 4.163 -0.796 1.00 0.00 C ATOM 891 CG ASN A 55 7.054 5.542 -1.179 1.00 0.00 C ATOM 892 OD1 ASN A 55 7.322 6.379 -0.318 1.00 0.00 O ATOM 893 ND2 ASN A 55 7.182 5.785 -2.479 1.00 0.00 N ATOM 0 H ASN A 55 5.463 2.714 0.879 1.00 0.00 H new ATOM 0 HA ASN A 55 4.682 5.128 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.038 3.849 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.845 3.448 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.514 6.695 -2.797 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.948 5.061 -3.159 1.00 0.00 H new ATOM 900 N ASP A 56 4.148 2.345 -2.004 1.00 0.00 N ATOM 901 CA ASP A 56 3.515 1.766 -3.182 1.00 0.00 C ATOM 902 C ASP A 56 2.019 1.578 -2.954 1.00 0.00 C ATOM 903 O ASP A 56 1.601 0.684 -2.218 1.00 0.00 O ATOM 904 CB ASP A 56 4.162 0.425 -3.529 1.00 0.00 C ATOM 905 CG ASP A 56 5.656 0.546 -3.764 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.285 1.428 -3.143 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.196 -0.242 -4.568 1.00 0.00 O ATOM 0 H ASP A 56 4.399 1.667 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 56 3.656 2.454 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.981 -0.283 -2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.689 0.017 -4.422 1.00 0.00 H new ATOM 912 N ARG A 57 1.216 2.428 -3.586 1.00 0.00 N ATOM 913 CA ARG A 57 -0.234 2.356 -3.449 1.00 0.00 C ATOM 914 C ARG A 57 -0.807 1.232 -4.306 1.00 0.00 C ATOM 915 O ARG A 57 -0.594 1.192 -5.518 1.00 0.00 O ATOM 916 CB ARG A 57 -0.870 3.692 -3.840 1.00 0.00 C ATOM 917 CG ARG A 57 -1.857 4.219 -2.811 1.00 0.00 C ATOM 918 CD ARG A 57 -2.925 5.087 -3.455 1.00 0.00 C ATOM 919 NE ARG A 57 -3.874 4.297 -4.236 1.00 0.00 N ATOM 920 CZ ARG A 57 -4.676 4.809 -5.167 1.00 0.00 C ATOM 921 NH1 ARG A 57 -4.645 6.108 -5.437 1.00 0.00 N ATOM 922 NH2 ARG A 57 -5.509 4.020 -5.831 1.00 0.00 N ATOM 0 H ARG A 57 1.545 3.175 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.467 2.144 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.082 4.431 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.381 3.576 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.329 3.382 -2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.323 4.797 -2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.461 5.636 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.451 5.826 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.925 3.294 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.005 6.719 -4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.262 6.495 -6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.535 3.021 -5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.124 4.412 -6.544 1.00 0.00 H new ATOM 936 N VAL A 58 -1.535 0.321 -3.669 1.00 0.00 N ATOM 937 CA VAL A 58 -2.139 -0.802 -4.374 1.00 0.00 C ATOM 938 C VAL A 58 -3.369 -0.361 -5.160 1.00 0.00 C ATOM 939 O VAL A 58 -4.246 0.321 -4.631 1.00 0.00 O ATOM 940 CB VAL A 58 -2.542 -1.928 -3.403 1.00 0.00 C ATOM 941 CG1 VAL A 58 -1.309 -2.639 -2.868 1.00 0.00 C ATOM 942 CG2 VAL A 58 -3.384 -1.376 -2.263 1.00 0.00 C ATOM 0 H VAL A 58 -1.721 0.339 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.385 -1.181 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.144 -2.654 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.614 -3.431 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.750 -3.071 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.678 -1.925 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.659 -2.187 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.811 -0.627 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.287 -0.918 -2.666 1.00 0.00 H new ATOM 952 N ALA A 59 -3.425 -0.753 -6.430 1.00 0.00 N ATOM 953 CA ALA A 59 -4.546 -0.397 -7.290 1.00 0.00 C ATOM 954 C ALA A 59 -5.348 -1.632 -7.687 1.00 0.00 C ATOM 955 O ALA A 59 -6.571 -1.576 -7.814 1.00 0.00 O ATOM 956 CB ALA A 59 -4.049 0.332 -8.528 1.00 0.00 C ATOM 0 H ALA A 59 -2.707 -1.317 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.205 0.267 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.897 0.592 -9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.526 1.241 -8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.367 -0.314 -9.081 1.00 0.00 H new ATOM 962 N MET A 60 -4.650 -2.746 -7.882 1.00 0.00 N ATOM 963 CA MET A 60 -5.297 -3.997 -8.264 1.00 0.00 C ATOM 964 C MET A 60 -4.598 -5.189 -7.619 1.00 0.00 C ATOM 965 O MET A 60 -3.398 -5.148 -7.352 1.00 0.00 O ATOM 966 CB MET A 60 -5.296 -4.150 -9.786 1.00 0.00 C ATOM 967 CG MET A 60 -6.298 -5.176 -10.295 1.00 0.00 C ATOM 968 SD MET A 60 -7.549 -4.456 -11.376 1.00 0.00 S ATOM 969 CE MET A 60 -7.447 -5.552 -12.789 1.00 0.00 C ATOM 0 H MET A 60 -3.637 -2.809 -7.782 1.00 0.00 H new ATOM 0 HA MET A 60 -6.327 -3.969 -7.910 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.515 -3.184 -10.240 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.297 -4.437 -10.113 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.766 -5.960 -10.834 1.00 0.00 H new ATOM 0 HG3 MET A 60 -6.789 -5.650 -9.445 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.443 -4.963 -13.706 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.530 -6.138 -12.730 1.00 0.00 H new ATOM 0 HE3 MET A 60 -8.306 -6.223 -12.792 1.00 0.00 H new ATOM 979 N VAL A 61 -5.358 -6.251 -7.373 1.00 0.00 N ATOM 980 CA VAL A 61 -4.813 -7.456 -6.760 1.00 0.00 C ATOM 981 C VAL A 61 -5.432 -8.709 -7.372 1.00 0.00 C ATOM 982 O VAL A 61 -6.645 -8.910 -7.305 1.00 0.00 O ATOM 983 CB VAL A 61 -5.048 -7.466 -5.237 1.00 0.00 C ATOM 984 CG1 VAL A 61 -6.537 -7.458 -4.923 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.366 -8.667 -4.596 1.00 0.00 C ATOM 0 H VAL A 61 -6.354 -6.301 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.740 -7.455 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.608 -6.562 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.681 -7.465 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.993 -6.562 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.005 -8.341 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.544 -8.655 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.771 -9.585 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.294 -8.621 -4.787 1.00 0.00 H new ATOM 995 N ASN A 62 -4.591 -9.547 -7.971 1.00 0.00 N ATOM 996 CA ASN A 62 -5.056 -10.781 -8.597 1.00 0.00 C ATOM 997 C ASN A 62 -6.159 -10.497 -9.613 1.00 0.00 C ATOM 998 O ASN A 62 -7.060 -11.312 -9.810 1.00 0.00 O ATOM 999 CB ASN A 62 -5.566 -11.755 -7.534 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.539 -13.194 -8.011 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -6.332 -13.595 -8.862 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -4.622 -13.982 -7.460 1.00 0.00 N ATOM 0 H ASN A 62 -3.585 -9.394 -8.036 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.213 -11.232 -9.121 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.956 -11.661 -6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.585 -11.486 -7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.556 -14.961 -7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.984 -13.608 -6.758 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.081 -9.337 -10.257 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.078 -8.968 -11.245 1.00 0.00 C ATOM 1011 C GLY A 63 -8.281 -8.266 -10.638 1.00 0.00 C ATOM 1012 O GLY A 63 -9.246 -7.965 -11.340 1.00 0.00 O ATOM 0 H GLY A 63 -5.345 -8.646 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.621 -8.316 -11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.412 -9.864 -11.768 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.227 -8.002 -9.335 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.325 -7.332 -8.646 1.00 0.00 C ATOM 1018 C VAL A 64 -8.910 -5.942 -8.170 1.00 0.00 C ATOM 1019 O VAL A 64 -7.897 -5.787 -7.489 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.814 -8.150 -7.437 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -11.083 -7.544 -6.859 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -10.041 -9.602 -7.832 1.00 0.00 C ATOM 0 H VAL A 64 -7.436 -8.241 -8.737 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.139 -7.240 -9.366 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.043 -8.122 -6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.413 -8.136 -6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.884 -6.522 -6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.863 -7.539 -7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.386 -10.165 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.793 -9.652 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.107 -10.031 -8.194 1.00 0.00 H new ATOM 1032 N SER A 65 -9.699 -4.936 -8.535 1.00 0.00 N ATOM 1033 CA SER A 65 -9.411 -3.558 -8.146 1.00 0.00 C ATOM 1034 C SER A 65 -9.317 -3.425 -6.629 1.00 0.00 C ATOM 1035 O SER A 65 -10.066 -4.066 -5.892 1.00 0.00 O ATOM 1036 CB SER A 65 -10.492 -2.619 -8.686 1.00 0.00 C ATOM 1037 OG SER A 65 -10.388 -2.473 -10.091 1.00 0.00 O ATOM 0 H SER A 65 -10.542 -5.048 -9.099 1.00 0.00 H new ATOM 0 HA SER A 65 -8.448 -3.280 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.477 -3.009 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.402 -1.643 -8.209 1.00 0.00 H new ATOM 0 HG SER A 65 -9.622 -2.989 -10.418 1.00 0.00 H new ATOM 1043 N MET A 66 -8.390 -2.589 -6.169 1.00 0.00 N ATOM 1044 CA MET A 66 -8.196 -2.372 -4.740 1.00 0.00 C ATOM 1045 C MET A 66 -8.468 -0.917 -4.367 1.00 0.00 C ATOM 1046 O MET A 66 -7.791 -0.348 -3.510 1.00 0.00 O ATOM 1047 CB MET A 66 -6.772 -2.755 -4.333 1.00 0.00 C ATOM 1048 CG MET A 66 -6.512 -4.254 -4.363 1.00 0.00 C ATOM 1049 SD MET A 66 -5.849 -4.880 -2.807 1.00 0.00 S ATOM 1050 CE MET A 66 -4.090 -4.819 -3.138 1.00 0.00 C ATOM 0 H MET A 66 -7.762 -2.051 -6.766 1.00 0.00 H new ATOM 0 HA MET A 66 -8.904 -3.005 -4.204 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.067 -2.259 -5.000 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.577 -2.381 -3.328 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.442 -4.775 -4.592 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.813 -4.481 -5.168 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.669 -5.821 -3.056 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.922 -4.436 -4.145 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.606 -4.162 -2.415 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.461 -0.321 -5.017 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.821 1.067 -4.754 1.00 0.00 C ATOM 1062 C ASP A 67 -11.321 1.207 -4.516 1.00 0.00 C ATOM 1063 O ASP A 67 -11.905 2.258 -4.774 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.396 1.955 -5.924 1.00 0.00 C ATOM 1065 CG ASP A 67 -10.064 1.555 -7.225 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -11.286 1.778 -7.358 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -9.366 1.020 -8.111 1.00 0.00 O ATOM 0 H ASP A 67 -10.031 -0.777 -5.730 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.298 1.386 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.641 2.993 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.314 1.902 -6.043 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.940 0.139 -4.020 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.371 0.143 -3.746 1.00 0.00 C ATOM 1074 C ASN A 68 -13.820 -1.202 -3.183 1.00 0.00 C ATOM 1075 O ASN A 68 -14.871 -1.725 -3.557 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.157 0.462 -5.020 1.00 0.00 C ATOM 1077 CG ASN A 68 -13.826 -0.485 -6.156 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -12.700 -0.973 -6.264 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -14.806 -0.750 -7.011 1.00 0.00 N ATOM 0 H ASN A 68 -11.471 -0.740 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.570 0.915 -3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.225 0.411 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.943 1.485 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.641 -1.380 -7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.724 -0.323 -6.883 1.00 0.00 H new ATOM 1086 N VAL A 69 -13.017 -1.760 -2.282 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.334 -3.044 -1.671 1.00 0.00 C ATOM 1088 C VAL A 69 -12.924 -3.076 -0.202 1.00 0.00 C ATOM 1089 O VAL A 69 -11.958 -2.428 0.200 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.639 -4.204 -2.408 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -13.178 -4.339 -3.823 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -11.132 -4.003 -2.422 1.00 0.00 C ATOM 0 H VAL A 69 -12.144 -1.343 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.414 -3.167 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.854 -5.129 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.674 -5.164 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.250 -4.536 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.997 -3.414 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.659 -4.833 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.894 -3.069 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.761 -3.963 -1.398 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.667 -3.840 0.592 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.388 -3.967 2.017 1.00 0.00 C ATOM 1104 C GLU A 70 -12.153 -4.831 2.252 1.00 0.00 C ATOM 1105 O GLU A 70 -11.814 -5.685 1.431 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.591 -4.574 2.744 1.00 0.00 C ATOM 1107 CG GLU A 70 -15.143 -5.817 2.069 1.00 0.00 C ATOM 1108 CD GLU A 70 -15.620 -6.857 3.064 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -15.092 -6.883 4.196 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -16.521 -7.647 2.711 1.00 0.00 O ATOM 0 H GLU A 70 -14.469 -4.382 0.271 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.197 -2.970 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.301 -4.823 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.381 -3.826 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.971 -5.535 1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.372 -6.254 1.434 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.482 -4.603 3.377 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.282 -5.361 3.721 1.00 0.00 C ATOM 1119 C HIS A 71 -10.521 -6.863 3.583 1.00 0.00 C ATOM 1120 O HIS A 71 -9.690 -7.585 3.036 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.838 -5.034 5.148 1.00 0.00 C ATOM 1122 CG HIS A 71 -10.822 -5.455 6.195 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -10.914 -6.748 6.665 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -11.761 -4.746 6.866 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -11.867 -6.816 7.577 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -12.395 -5.615 7.718 1.00 0.00 N ATOM 0 H HIS A 71 -11.748 -3.900 4.066 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.494 -5.074 3.025 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.883 -5.521 5.343 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.670 -3.960 5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -11.972 -3.693 6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -12.164 -7.704 8.116 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.152 -5.372 8.357 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.665 -7.325 4.082 1.00 0.00 N ATOM 1136 CA ALA A 72 -12.013 -8.739 4.013 1.00 0.00 C ATOM 1137 C ALA A 72 -11.995 -9.242 2.574 1.00 0.00 C ATOM 1138 O ALA A 72 -11.373 -10.259 2.268 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.379 -8.976 4.641 1.00 0.00 C ATOM 0 H ALA A 72 -12.365 -6.740 4.538 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.264 -9.299 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.627 -10.036 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.358 -8.665 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.131 -8.397 4.105 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.680 -8.521 1.691 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.740 -8.895 0.283 1.00 0.00 C ATOM 1147 C PHE A 73 -11.349 -8.881 -0.340 1.00 0.00 C ATOM 1148 O PHE A 73 -11.038 -9.695 -1.209 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.667 -7.948 -0.482 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.261 -8.559 -1.719 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -13.568 -8.540 -2.918 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.515 -9.150 -1.680 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -14.114 -9.102 -4.057 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -16.065 -9.713 -2.816 1.00 0.00 C ATOM 1155 CZ PHE A 73 -15.365 -9.688 -4.006 1.00 0.00 C ATOM 0 H PHE A 73 -13.200 -7.676 1.926 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.138 -9.908 0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -14.473 -7.629 0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.110 -7.053 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.591 -8.082 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -16.067 -9.170 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.564 -9.083 -4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.042 -10.172 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 73 -15.794 -10.125 -4.895 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.515 -7.947 0.110 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.156 -7.825 -0.405 1.00 0.00 C ATOM 1167 C ALA A 74 -8.263 -8.951 0.108 1.00 0.00 C ATOM 1168 O ALA A 74 -7.468 -9.516 -0.642 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.571 -6.473 -0.027 1.00 0.00 C ATOM 0 H ALA A 74 -10.757 -7.265 0.829 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.200 -7.903 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.556 -6.394 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.186 -5.679 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.551 -6.376 1.058 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.394 -9.268 1.394 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.592 -10.323 2.006 1.00 0.00 C ATOM 1177 C VAL A 75 -7.897 -11.684 1.387 1.00 0.00 C ATOM 1178 O VAL A 75 -6.987 -12.436 1.041 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.827 -10.398 3.527 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -6.881 -11.403 4.167 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -7.669 -9.023 4.163 1.00 0.00 C ATOM 0 H VAL A 75 -9.046 -8.810 2.031 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.548 -10.071 1.818 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.849 -10.736 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.063 -11.441 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.051 -12.389 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.850 -11.100 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.839 -9.097 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.661 -8.651 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.394 -8.335 3.728 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.180 -11.999 1.251 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.592 -13.273 0.675 1.00 0.00 C ATOM 1193 C GLN A 76 -9.067 -13.426 -0.751 1.00 0.00 C ATOM 1194 O GLN A 76 -8.911 -14.541 -1.248 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.117 -13.395 0.685 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.816 -12.340 -0.155 1.00 0.00 C ATOM 1197 CD GLN A 76 -12.959 -12.909 -0.974 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -14.129 -12.659 -0.686 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -12.623 -13.678 -2.003 1.00 0.00 N ATOM 0 H GLN A 76 -9.950 -11.392 1.531 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.167 -14.070 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.397 -14.383 0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.472 -13.323 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.198 -11.555 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.092 -11.874 -0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.640 -13.859 -2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -13.348 -14.088 -2.591 1.00 0.00 H new ATOM 1208 N GLN A 77 -8.801 -12.300 -1.407 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.298 -12.315 -2.776 1.00 0.00 C ATOM 1210 C GLN A 77 -6.848 -12.789 -2.825 1.00 0.00 C ATOM 1211 O GLN A 77 -6.503 -13.678 -3.603 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.418 -10.921 -3.398 1.00 0.00 C ATOM 1213 CG GLN A 77 -9.336 -10.873 -4.609 1.00 0.00 C ATOM 1214 CD GLN A 77 -10.337 -9.736 -4.538 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.549 -9.959 -4.535 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -9.835 -8.509 -4.481 1.00 0.00 N ATOM 0 H GLN A 77 -8.925 -11.367 -1.013 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.903 -13.016 -3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.788 -10.226 -2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.426 -10.576 -3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.735 -10.767 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.871 -11.819 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.824 -8.371 -4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.460 -7.704 -4.432 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.001 -12.190 -1.993 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.590 -12.556 -1.948 1.00 0.00 C ATOM 1227 C LEU A 78 -4.398 -13.916 -1.284 1.00 0.00 C ATOM 1228 O LEU A 78 -3.467 -14.652 -1.613 1.00 0.00 O ATOM 1229 CB LEU A 78 -3.778 -11.490 -1.206 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.249 -11.178 0.215 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.626 -12.143 1.212 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -3.912 -9.739 0.583 1.00 0.00 C ATOM 0 H LEU A 78 -6.267 -11.451 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.230 -12.620 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.738 -11.814 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.801 -10.569 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.331 -11.301 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.974 -11.903 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.916 -13.163 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.540 -12.055 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.254 -9.533 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.833 -9.592 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.407 -9.060 -0.111 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.282 -14.245 -0.348 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.207 -15.518 0.360 1.00 0.00 C ATOM 1246 C ARG A 79 -5.627 -16.674 -0.544 1.00 0.00 C ATOM 1247 O ARG A 79 -5.207 -17.814 -0.346 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.089 -15.484 1.612 1.00 0.00 C ATOM 1249 CG ARG A 79 -5.325 -15.744 2.900 1.00 0.00 C ATOM 1250 CD ARG A 79 -5.996 -16.817 3.742 1.00 0.00 C ATOM 1251 NE ARG A 79 -5.147 -17.258 4.847 1.00 0.00 N ATOM 1252 CZ ARG A 79 -4.060 -18.011 4.691 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -3.688 -18.408 3.481 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -3.343 -18.366 5.748 1.00 0.00 N ATOM 0 H ARG A 79 -6.058 -13.648 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.171 -15.676 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.575 -14.511 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.879 -16.229 1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.306 -16.050 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.255 -14.821 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.935 -16.432 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.242 -17.671 3.111 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.402 -16.972 5.792 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.236 -18.136 2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.854 -18.985 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.624 -18.062 6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.510 -18.943 5.629 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.460 -16.374 -1.537 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.935 -17.391 -2.469 1.00 0.00 C ATOM 1270 C LYS A 80 -5.782 -17.975 -3.279 1.00 0.00 C ATOM 1271 O LYS A 80 -5.842 -19.120 -3.726 1.00 0.00 O ATOM 1272 CB LYS A 80 -7.987 -16.800 -3.409 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.112 -17.765 -3.746 1.00 0.00 C ATOM 1274 CD LYS A 80 -9.969 -18.069 -2.528 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.425 -19.519 -2.516 1.00 0.00 C ATOM 1276 NZ LYS A 80 -9.471 -20.396 -1.781 1.00 0.00 N ATOM 0 H LYS A 80 -6.819 -15.436 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.387 -18.195 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.411 -15.907 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.501 -16.485 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.734 -17.339 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.693 -18.692 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.403 -17.857 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.839 -17.413 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.410 -19.586 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.529 -19.875 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.818 -21.376 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.537 -20.352 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.390 -20.072 -0.796 1.00 0.00 H new ATOM 1290 N SER A 81 -4.730 -17.182 -3.464 1.00 0.00 N ATOM 1291 CA SER A 81 -3.563 -17.623 -4.221 1.00 0.00 C ATOM 1292 C SER A 81 -2.955 -18.876 -3.599 1.00 0.00 C ATOM 1293 O SER A 81 -3.132 -19.983 -4.107 1.00 0.00 O ATOM 1294 CB SER A 81 -2.517 -16.509 -4.281 1.00 0.00 C ATOM 1295 OG SER A 81 -2.968 -15.429 -5.080 1.00 0.00 O ATOM 0 H SER A 81 -4.662 -16.231 -3.100 1.00 0.00 H new ATOM 0 HA SER A 81 -3.886 -17.862 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.300 -16.154 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.585 -16.902 -4.688 1.00 0.00 H new ATOM 0 HG SER A 81 -3.307 -14.714 -4.502 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.238 -18.695 -2.494 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.616 -19.820 -1.821 1.00 0.00 C ATOM 1303 C GLY A 82 -0.165 -20.007 -2.220 1.00 0.00 C ATOM 1304 O GLY A 82 0.642 -20.495 -1.430 1.00 0.00 O ATOM 0 H GLY A 82 -2.077 -17.789 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.677 -19.673 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.172 -20.729 -2.050 1.00 0.00 H new ATOM 1308 N LYS A 83 0.167 -19.617 -3.446 1.00 0.00 N ATOM 1309 CA LYS A 83 1.531 -19.746 -3.945 1.00 0.00 C ATOM 1310 C LYS A 83 1.707 -18.984 -5.256 1.00 0.00 C ATOM 1311 O LYS A 83 2.494 -19.380 -6.115 1.00 0.00 O ATOM 1312 CB LYS A 83 1.885 -21.221 -4.149 1.00 0.00 C ATOM 1313 CG LYS A 83 2.484 -21.878 -2.916 1.00 0.00 C ATOM 1314 CD LYS A 83 3.583 -22.861 -3.287 1.00 0.00 C ATOM 1315 CE LYS A 83 4.887 -22.146 -3.600 1.00 0.00 C ATOM 1316 NZ LYS A 83 6.066 -22.883 -3.066 1.00 0.00 N ATOM 0 H LYS A 83 -0.489 -19.209 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 83 2.204 -19.316 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.986 -21.765 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.591 -21.306 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.888 -21.112 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.702 -22.397 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.739 -23.561 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.272 -23.447 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.989 -22.032 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.862 -21.143 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.936 -22.363 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.982 -22.970 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.104 -23.831 -3.491 1.00 0.00 H new ATOM 1330 N ASN A 84 0.967 -17.890 -5.400 1.00 0.00 N ATOM 1331 CA ASN A 84 1.036 -17.069 -6.604 1.00 0.00 C ATOM 1332 C ASN A 84 0.051 -15.907 -6.519 1.00 0.00 C ATOM 1333 O ASN A 84 -0.974 -15.898 -7.200 1.00 0.00 O ATOM 1334 CB ASN A 84 0.744 -17.916 -7.847 1.00 0.00 C ATOM 1335 CG ASN A 84 2.007 -18.301 -8.592 1.00 0.00 C ATOM 1336 OD1 ASN A 84 2.214 -19.469 -8.922 1.00 0.00 O ATOM 1337 ND2 ASN A 84 2.859 -17.319 -8.861 1.00 0.00 N ATOM 0 H ASN A 84 0.311 -17.550 -4.696 1.00 0.00 H new ATOM 0 HA ASN A 84 2.045 -16.665 -6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.210 -18.819 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 84 0.086 -17.361 -8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.726 -17.518 -9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.647 -16.365 -8.568 1.00 0.00 H new ATOM 1344 N ALA A 85 0.370 -14.930 -5.677 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.488 -13.765 -5.502 1.00 0.00 C ATOM 1346 C ALA A 85 0.164 -12.517 -6.086 1.00 0.00 C ATOM 1347 O ALA A 85 1.188 -12.050 -5.589 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.802 -13.558 -4.029 1.00 0.00 C ATOM 0 H ALA A 85 1.215 -14.922 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.420 -13.944 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.444 -12.684 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.313 -14.438 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.125 -13.403 -3.478 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.433 -11.983 -7.148 1.00 0.00 N ATOM 1355 CA LYS A 86 0.096 -10.790 -7.796 1.00 0.00 C ATOM 1356 C LYS A 86 -0.620 -9.535 -7.303 1.00 0.00 C ATOM 1357 O LYS A 86 -1.837 -9.534 -7.119 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.026 -10.911 -9.319 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.401 -10.550 -9.861 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.710 -11.300 -11.147 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.667 -12.457 -10.902 1.00 0.00 C ATOM 1362 NZ LYS A 86 -2.289 -13.665 -11.686 1.00 0.00 N ATOM 0 H LYS A 86 -1.280 -12.357 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 86 1.151 -10.702 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.718 -10.265 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.212 -11.934 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.160 -10.781 -9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.450 -9.477 -10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.145 -10.614 -11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.784 -11.678 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.676 -12.702 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.679 -12.153 -11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.965 -14.431 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.304 -13.439 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.333 -13.970 -11.414 1.00 0.00 H new ATOM 1376 N ILE A 87 0.146 -8.472 -7.094 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.413 -7.211 -6.623 1.00 0.00 C ATOM 1378 C ILE A 87 0.071 -6.042 -7.474 1.00 0.00 C ATOM 1379 O ILE A 87 1.267 -5.890 -7.715 1.00 0.00 O ATOM 1380 CB ILE A 87 -0.045 -6.947 -5.150 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.357 -8.177 -4.295 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.789 -5.727 -4.629 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.870 -8.977 -3.915 1.00 0.00 C ATOM 0 H ILE A 87 1.155 -8.458 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.496 -7.295 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 87 1.025 -6.748 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.868 -7.858 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.047 -8.822 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.519 -5.553 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.519 -4.855 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.863 -5.897 -4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.573 -9.833 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.370 -9.327 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.552 -8.348 -3.343 1.00 0.00 H new ATOM 1395 N THR A 88 -0.869 -5.217 -7.923 1.00 0.00 N ATOM 1396 CA THR A 88 -0.540 -4.058 -8.744 1.00 0.00 C ATOM 1397 C THR A 88 -0.490 -2.795 -7.893 1.00 0.00 C ATOM 1398 O THR A 88 -1.485 -2.407 -7.281 1.00 0.00 O ATOM 1399 CB THR A 88 -1.566 -3.892 -9.865 1.00 0.00 C ATOM 1400 OG1 THR A 88 -1.742 -5.109 -10.569 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.182 -2.830 -10.873 1.00 0.00 C ATOM 0 H THR A 88 -1.865 -5.330 -7.732 1.00 0.00 H new ATOM 0 HA THR A 88 0.443 -4.220 -9.186 1.00 0.00 H new ATOM 0 HB THR A 88 -2.488 -3.586 -9.371 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.403 -4.982 -11.281 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.952 -2.763 -11.642 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.087 -1.868 -10.370 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.230 -3.094 -11.335 1.00 0.00 H new ATOM 1409 N ILE A 89 0.676 -2.160 -7.853 1.00 0.00 N ATOM 1410 CA ILE A 89 0.854 -0.942 -7.071 1.00 0.00 C ATOM 1411 C ILE A 89 1.485 0.164 -7.906 1.00 0.00 C ATOM 1412 O ILE A 89 2.027 -0.088 -8.982 1.00 0.00 O ATOM 1413 CB ILE A 89 1.730 -1.196 -5.829 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.006 -1.943 -6.222 1.00 0.00 C ATOM 1415 CG2 ILE A 89 0.952 -1.980 -4.783 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.023 -1.072 -6.928 1.00 0.00 C ATOM 0 H ILE A 89 1.511 -2.468 -8.352 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.139 -0.626 -6.750 1.00 0.00 H new ATOM 0 HB ILE A 89 2.012 -0.235 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.461 -2.365 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.743 -2.779 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.584 -2.151 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.070 -1.413 -4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.643 -2.938 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.902 -1.667 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.586 -0.670 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.315 -0.250 -6.274 1.00 0.00 H new ATOM 1428 N ARG A 90 1.413 1.392 -7.403 1.00 0.00 N ATOM 1429 CA ARG A 90 1.980 2.538 -8.102 1.00 0.00 C ATOM 1430 C ARG A 90 2.721 3.453 -7.133 1.00 0.00 C ATOM 1431 O ARG A 90 2.337 3.585 -5.971 1.00 0.00 O ATOM 1432 CB ARG A 90 0.882 3.320 -8.825 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.307 3.661 -7.941 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.481 2.727 -8.194 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.751 3.447 -8.247 1.00 0.00 N ATOM 1436 CZ ARG A 90 -3.170 4.136 -9.305 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -2.424 4.203 -10.400 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -4.339 4.761 -9.269 1.00 0.00 N ATOM 0 H ARG A 90 0.967 1.618 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 90 2.692 2.166 -8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.306 4.243 -9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.534 2.737 -9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.012 3.599 -6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.614 4.690 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.326 2.196 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.523 1.975 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.352 3.420 -7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.524 3.725 -10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.751 4.733 -11.208 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.917 4.714 -8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.660 5.289 -10.080 1.00 0.00 H new ATOM 1452 N ARG A 91 3.787 4.081 -7.619 1.00 0.00 N ATOM 1453 CA ARG A 91 4.584 4.984 -6.792 1.00 0.00 C ATOM 1454 C ARG A 91 4.981 6.236 -7.568 1.00 0.00 C ATOM 1455 O ARG A 91 5.365 6.161 -8.735 1.00 0.00 O ATOM 1456 CB ARG A 91 5.842 4.274 -6.281 1.00 0.00 C ATOM 1457 CG ARG A 91 5.642 2.793 -5.996 1.00 0.00 C ATOM 1458 CD ARG A 91 5.995 1.943 -7.205 1.00 0.00 C ATOM 1459 NE ARG A 91 7.312 1.323 -7.072 1.00 0.00 N ATOM 1460 CZ ARG A 91 7.707 0.261 -7.771 1.00 0.00 C ATOM 1461 NH1 ARG A 91 6.893 -0.302 -8.655 1.00 0.00 N ATOM 1462 NH2 ARG A 91 8.921 -0.240 -7.586 1.00 0.00 N ATOM 0 H ARG A 91 4.119 3.983 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 91 3.970 5.283 -5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.636 4.388 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.180 4.767 -5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.260 2.497 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.605 2.612 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.241 1.167 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.974 2.562 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 91 7.968 1.728 -6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.958 0.079 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.202 -1.115 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.552 0.188 -6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.224 -1.054 -8.121 1.00 0.00 H new