USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 49 LYS NZ :NH3+ 147:sc= 0.295 (180deg=0) USER MOD Set 1.2: A 53 THR OG1 : rot 87:sc= 0.169 USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.763 X(o=-0.76,f=-0.61) USER MOD Single : A 9 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.5) USER MOD Single : A 12 GLN : amide:sc= -1.11! C(o=-1.1!,f=-1.4!) USER MOD Single : A 16 MET CE :methyl -167:sc= -0.443 (180deg=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.6!) USER MOD Single : A 25 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-11!) USER MOD Single : A 27 SER OG : rot -170:sc= 0.126 USER MOD Single : A 32 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.36) USER MOD Single : A 34 GLN : amide:sc= -10.4! C(o=-10!,f=-9.9!) USER MOD Single : A 45 MET CE :methyl -120:sc= -0.0456 (180deg=-0.373) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= -2.56 (180deg=-4.02!) USER MOD Single : A 51 GLN : amide:sc= -0.782 K(o=-0.78,f=-7.2!) USER MOD Single : A 52 GLN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -6.95! C(o=-6.9!,f=-7.2!) USER MOD Single : A 68 HIS : no HD1:sc= -2.5 X(o=-2.5,f=-2.6) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.448 USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= -0.0855 (180deg=-0.548) USER MOD ----------------------------------------------------------------- ATOM 127 N ASN A 9 4.718 -9.119 13.062 1.00 0.00 N ATOM 128 CA ASN A 9 5.744 -10.129 12.860 1.00 0.00 C ATOM 129 C ASN A 9 5.305 -11.435 13.526 1.00 0.00 C ATOM 130 O ASN A 9 4.905 -12.379 12.846 1.00 0.00 O ATOM 131 CB ASN A 9 7.071 -9.700 13.490 1.00 0.00 C ATOM 132 CG ASN A 9 8.043 -10.878 13.576 1.00 0.00 C ATOM 133 OD1 ASN A 9 8.272 -11.452 14.628 1.00 0.00 O ATOM 134 ND2 ASN A 9 8.600 -11.206 12.414 1.00 0.00 N ATOM 0 HA ASN A 9 5.881 -10.261 11.787 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.516 -8.899 12.899 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.891 -9.299 14.487 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.263 -11.980 12.367 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.364 -10.684 11.570 1.00 0.00 H new ATOM 141 N GLU A 10 5.395 -11.448 14.848 1.00 0.00 N ATOM 142 CA GLU A 10 5.013 -12.623 15.612 1.00 0.00 C ATOM 143 C GLU A 10 3.714 -13.215 15.062 1.00 0.00 C ATOM 144 O GLU A 10 3.715 -14.309 14.500 1.00 0.00 O ATOM 145 CB GLU A 10 4.876 -12.288 17.099 1.00 0.00 C ATOM 146 CG GLU A 10 5.315 -13.468 17.969 1.00 0.00 C ATOM 147 CD GLU A 10 5.688 -13.001 19.378 1.00 0.00 C ATOM 148 OE1 GLU A 10 4.808 -12.878 20.243 1.00 0.00 O ATOM 149 OE2 GLU A 10 6.943 -12.765 19.559 1.00 0.00 O ATOM 0 H GLU A 10 5.727 -10.664 15.409 1.00 0.00 H new ATOM 0 HA GLU A 10 5.801 -13.370 15.512 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.480 -11.412 17.335 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.841 -12.031 17.324 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.511 -14.202 18.026 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.169 -13.966 17.509 1.00 0.00 H new ATOM 157 N ILE A 11 2.636 -12.465 15.242 1.00 0.00 N ATOM 158 CA ILE A 11 1.333 -12.902 14.770 1.00 0.00 C ATOM 159 C ILE A 11 1.497 -13.633 13.436 1.00 0.00 C ATOM 160 O ILE A 11 0.754 -14.567 13.141 1.00 0.00 O ATOM 161 CB ILE A 11 0.362 -11.721 14.710 1.00 0.00 C ATOM 162 CG1 ILE A 11 1.076 -10.447 14.254 1.00 0.00 C ATOM 163 CG2 ILE A 11 -0.353 -11.530 16.049 1.00 0.00 C ATOM 164 CD1 ILE A 11 1.386 -9.537 15.444 1.00 0.00 C ATOM 0 H ILE A 11 2.639 -11.558 15.708 1.00 0.00 H new ATOM 0 HA ILE A 11 0.892 -13.612 15.470 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.403 -11.945 13.966 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.001 -10.708 13.741 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.453 -9.914 13.536 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.037 -10.684 15.979 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.915 -12.432 16.293 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.383 -11.338 16.830 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.893 -8.639 15.093 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.457 -9.258 15.941 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.029 -10.065 16.148 1.00 0.00 H new ATOM 176 N GLN A 12 2.475 -13.179 12.666 1.00 0.00 N ATOM 177 CA GLN A 12 2.746 -13.778 11.370 1.00 0.00 C ATOM 178 C GLN A 12 3.518 -15.089 11.542 1.00 0.00 C ATOM 179 O GLN A 12 3.065 -16.142 11.097 1.00 0.00 O ATOM 180 CB GLN A 12 3.509 -12.808 10.466 1.00 0.00 C ATOM 181 CG GLN A 12 3.028 -12.915 9.018 1.00 0.00 C ATOM 182 CD GLN A 12 4.018 -12.246 8.061 1.00 0.00 C ATOM 183 OE1 GLN A 12 4.185 -11.038 8.045 1.00 0.00 O ATOM 184 NE2 GLN A 12 4.662 -13.097 7.267 1.00 0.00 N ATOM 0 H GLN A 12 3.089 -12.404 12.915 1.00 0.00 H new ATOM 0 HA GLN A 12 1.794 -14.000 10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.372 -11.788 10.824 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.577 -13.023 10.515 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.907 -13.964 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.049 -12.446 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.474 -14.097 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.344 -12.749 6.593 1.00 0.00 H new ATOM 193 N SER A 13 4.669 -14.980 12.189 1.00 0.00 N ATOM 194 CA SER A 13 5.507 -16.143 12.425 1.00 0.00 C ATOM 195 C SER A 13 4.671 -17.280 13.013 1.00 0.00 C ATOM 196 O SER A 13 4.888 -18.447 12.691 1.00 0.00 O ATOM 197 CB SER A 13 6.672 -15.803 13.357 1.00 0.00 C ATOM 198 OG SER A 13 7.613 -16.869 13.447 1.00 0.00 O ATOM 0 H SER A 13 5.041 -14.104 12.557 1.00 0.00 H new ATOM 0 HA SER A 13 5.923 -16.464 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.175 -14.905 12.996 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.286 -15.575 14.351 1.00 0.00 H new ATOM 0 HG SER A 13 8.342 -16.612 14.050 1.00 0.00 H new ATOM 204 N VAL A 14 3.731 -16.900 13.866 1.00 0.00 N ATOM 205 CA VAL A 14 2.860 -17.874 14.503 1.00 0.00 C ATOM 206 C VAL A 14 1.807 -18.345 13.498 1.00 0.00 C ATOM 207 O VAL A 14 1.490 -19.532 13.436 1.00 0.00 O ATOM 208 CB VAL A 14 2.249 -17.278 15.773 1.00 0.00 C ATOM 209 CG1 VAL A 14 1.184 -18.208 16.358 1.00 0.00 C ATOM 210 CG2 VAL A 14 3.332 -16.967 16.808 1.00 0.00 C ATOM 0 H VAL A 14 3.553 -15.931 14.131 1.00 0.00 H new ATOM 0 HA VAL A 14 3.429 -18.750 14.812 1.00 0.00 H new ATOM 0 HB VAL A 14 1.763 -16.340 15.503 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.766 -17.761 17.260 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.390 -18.358 15.626 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.636 -19.169 16.606 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.871 -16.544 17.701 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.858 -17.885 17.071 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.039 -16.250 16.391 1.00 0.00 H new ATOM 220 N LEU A 15 1.295 -17.390 12.735 1.00 0.00 N ATOM 221 CA LEU A 15 0.285 -17.693 11.735 1.00 0.00 C ATOM 222 C LEU A 15 0.835 -18.733 10.758 1.00 0.00 C ATOM 223 O LEU A 15 0.136 -19.675 10.389 1.00 0.00 O ATOM 224 CB LEU A 15 -0.200 -16.409 11.058 1.00 0.00 C ATOM 225 CG LEU A 15 -1.018 -16.594 9.779 1.00 0.00 C ATOM 226 CD1 LEU A 15 -2.241 -17.478 10.032 1.00 0.00 C ATOM 227 CD2 LEU A 15 -1.404 -15.242 9.175 1.00 0.00 C ATOM 0 H LEU A 15 1.561 -16.407 12.789 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.596 -18.132 12.204 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.803 -15.850 11.774 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.669 -15.794 10.824 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.395 -17.108 9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.805 -17.593 9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.916 -18.457 10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.875 -17.014 10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.985 -15.402 8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.001 -14.680 9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.502 -14.680 8.934 1.00 0.00 H new ATOM 239 N MET A 16 2.084 -18.528 10.367 1.00 0.00 N ATOM 240 CA MET A 16 2.737 -19.437 9.440 1.00 0.00 C ATOM 241 C MET A 16 3.196 -20.711 10.152 1.00 0.00 C ATOM 242 O MET A 16 3.065 -21.809 9.614 1.00 0.00 O ATOM 243 CB MET A 16 3.945 -18.741 8.808 1.00 0.00 C ATOM 244 CG MET A 16 3.631 -18.287 7.381 1.00 0.00 C ATOM 245 SD MET A 16 3.687 -16.506 7.281 1.00 0.00 S ATOM 246 CE MET A 16 2.799 -16.254 5.753 1.00 0.00 C ATOM 0 H MET A 16 2.661 -17.746 10.675 1.00 0.00 H new ATOM 0 HA MET A 16 2.020 -19.714 8.667 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.231 -17.880 9.413 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.797 -19.421 8.798 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.350 -18.721 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.645 -18.645 7.085 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.936 -15.226 5.418 1.00 0.00 H new ATOM 0 HE2 MET A 16 3.180 -16.937 4.994 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.738 -16.445 5.913 1.00 0.00 H new ATOM 256 N ASN A 17 3.725 -20.522 11.352 1.00 0.00 N ATOM 257 CA ASN A 17 4.204 -21.642 12.144 1.00 0.00 C ATOM 258 C ASN A 17 3.055 -22.626 12.375 1.00 0.00 C ATOM 259 O ASN A 17 3.273 -23.834 12.443 1.00 0.00 O ATOM 260 CB ASN A 17 4.708 -21.174 13.511 1.00 0.00 C ATOM 261 CG ASN A 17 6.230 -21.017 13.509 1.00 0.00 C ATOM 262 OD1 ASN A 17 6.973 -21.918 13.155 1.00 0.00 O ATOM 263 ND2 ASN A 17 6.651 -19.825 13.923 1.00 0.00 N ATOM 0 H ASN A 17 3.832 -19.610 11.795 1.00 0.00 H new ATOM 0 HA ASN A 17 5.022 -22.114 11.600 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.241 -20.224 13.769 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.414 -21.892 14.277 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.650 -19.621 13.958 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.975 -19.115 14.205 1.00 0.00 H new ATOM 270 N ALA A 18 1.857 -22.071 12.489 1.00 0.00 N ATOM 271 CA ALA A 18 0.674 -22.885 12.711 1.00 0.00 C ATOM 272 C ALA A 18 0.142 -23.382 11.365 1.00 0.00 C ATOM 273 O ALA A 18 -0.076 -24.578 11.184 1.00 0.00 O ATOM 274 CB ALA A 18 -0.366 -22.073 13.485 1.00 0.00 C ATOM 0 H ALA A 18 1.680 -21.068 12.432 1.00 0.00 H new ATOM 0 HA ALA A 18 0.918 -23.761 13.313 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.254 -22.683 13.652 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.051 -21.769 14.445 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.637 -21.187 12.910 1.00 0.00 H new ATOM 280 N LEU A 19 -0.051 -22.437 10.456 1.00 0.00 N ATOM 281 CA LEU A 19 -0.553 -22.764 9.133 1.00 0.00 C ATOM 282 C LEU A 19 -0.491 -21.518 8.247 1.00 0.00 C ATOM 283 O LEU A 19 -1.118 -20.504 8.551 1.00 0.00 O ATOM 284 CB LEU A 19 -1.949 -23.383 9.227 1.00 0.00 C ATOM 285 CG LEU A 19 -3.119 -22.450 8.911 1.00 0.00 C ATOM 286 CD1 LEU A 19 -4.334 -23.240 8.421 1.00 0.00 C ATOM 287 CD2 LEU A 19 -3.457 -21.568 10.115 1.00 0.00 C ATOM 0 H LEU A 19 0.131 -21.445 10.610 1.00 0.00 H new ATOM 0 HA LEU A 19 0.075 -23.521 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.994 -24.233 8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.084 -23.774 10.235 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.818 -21.787 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.151 -22.553 8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.071 -23.788 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.647 -23.943 9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.292 -20.914 9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.731 -22.197 10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.589 -20.963 10.378 1.00 0.00 H new ATOM 299 N SER A 20 0.270 -21.635 7.169 1.00 0.00 N ATOM 300 CA SER A 20 0.422 -20.530 6.237 1.00 0.00 C ATOM 301 C SER A 20 -0.687 -20.579 5.183 1.00 0.00 C ATOM 302 O SER A 20 -1.780 -21.075 5.450 1.00 0.00 O ATOM 303 CB SER A 20 1.795 -20.562 5.564 1.00 0.00 C ATOM 304 OG SER A 20 2.760 -21.253 6.352 1.00 0.00 O ATOM 0 H SER A 20 0.788 -22.478 6.920 1.00 0.00 H new ATOM 0 HA SER A 20 0.343 -19.598 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.710 -21.044 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.135 -19.542 5.386 1.00 0.00 H new ATOM 0 HG SER A 20 3.623 -21.253 5.887 1.00 0.00 H new ATOM 310 N LEU A 21 -0.366 -20.057 4.008 1.00 0.00 N ATOM 311 CA LEU A 21 -1.321 -20.035 2.913 1.00 0.00 C ATOM 312 C LEU A 21 -0.718 -19.273 1.732 1.00 0.00 C ATOM 313 O LEU A 21 -0.768 -19.742 0.595 1.00 0.00 O ATOM 314 CB LEU A 21 -2.664 -19.474 3.385 1.00 0.00 C ATOM 315 CG LEU A 21 -3.900 -20.303 3.028 1.00 0.00 C ATOM 316 CD1 LEU A 21 -4.106 -21.439 4.032 1.00 0.00 C ATOM 317 CD2 LEU A 21 -5.139 -19.414 2.905 1.00 0.00 C ATOM 0 H LEU A 21 0.542 -19.646 3.791 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.528 -21.048 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.627 -19.361 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.786 -18.476 2.964 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.735 -20.761 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.991 -22.013 3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.233 -22.092 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.241 -21.022 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.003 -20.028 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.320 -18.908 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.978 -18.672 2.123 1.00 0.00 H new ATOM 329 N GLN A 22 -0.160 -18.111 2.040 1.00 0.00 N ATOM 330 CA GLN A 22 0.452 -17.280 1.017 1.00 0.00 C ATOM 331 C GLN A 22 0.829 -15.915 1.598 1.00 0.00 C ATOM 332 O GLN A 22 2.009 -15.592 1.716 1.00 0.00 O ATOM 333 CB GLN A 22 -0.474 -17.126 -0.191 1.00 0.00 C ATOM 334 CG GLN A 22 0.330 -17.033 -1.489 1.00 0.00 C ATOM 335 CD GLN A 22 0.708 -18.425 -2.000 1.00 0.00 C ATOM 336 OE1 GLN A 22 1.265 -19.245 -1.289 1.00 0.00 O ATOM 337 NE2 GLN A 22 0.375 -18.645 -3.269 1.00 0.00 N ATOM 0 H GLN A 22 -0.119 -17.726 2.983 1.00 0.00 H new ATOM 0 HA GLN A 22 1.363 -17.771 0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.156 -17.975 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.086 -16.232 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.254 -16.510 -2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.233 -16.446 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.090 -17.915 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.585 -19.544 -3.703 1.00 0.00 H new ATOM 346 N GLU A 23 -0.197 -15.152 1.944 1.00 0.00 N ATOM 347 CA GLU A 23 0.011 -13.830 2.509 1.00 0.00 C ATOM 348 C GLU A 23 -0.653 -13.729 3.884 1.00 0.00 C ATOM 349 O GLU A 23 -1.294 -14.675 4.338 1.00 0.00 O ATOM 350 CB GLU A 23 -0.510 -12.742 1.567 1.00 0.00 C ATOM 351 CG GLU A 23 0.640 -11.893 1.021 1.00 0.00 C ATOM 352 CD GLU A 23 0.389 -11.505 -0.438 1.00 0.00 C ATOM 353 OE1 GLU A 23 -0.749 -11.608 -0.920 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.428 -11.082 -1.076 1.00 0.00 O ATOM 0 H GLU A 23 -1.175 -15.424 1.844 1.00 0.00 H new ATOM 0 HA GLU A 23 1.083 -13.674 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.052 -13.201 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.217 -12.105 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.752 -10.994 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.575 -12.448 1.098 1.00 0.00 H new ATOM 362 N VAL A 24 -0.478 -12.573 4.507 1.00 0.00 N ATOM 363 CA VAL A 24 -1.052 -12.337 5.821 1.00 0.00 C ATOM 364 C VAL A 24 -1.605 -10.911 5.882 1.00 0.00 C ATOM 365 O VAL A 24 -1.283 -10.080 5.034 1.00 0.00 O ATOM 366 CB VAL A 24 -0.012 -12.621 6.906 1.00 0.00 C ATOM 367 CG1 VAL A 24 0.644 -13.987 6.693 1.00 0.00 C ATOM 368 CG2 VAL A 24 1.039 -11.511 6.962 1.00 0.00 C ATOM 0 H VAL A 24 0.053 -11.790 4.126 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.884 -13.017 6.002 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.527 -12.643 7.866 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.379 -14.164 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.118 -14.766 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.139 -14.006 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.766 -11.738 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.547 -11.442 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.553 -10.561 7.184 1.00 0.00 H new ATOM 378 N HIS A 25 -2.429 -10.673 6.892 1.00 0.00 N ATOM 379 CA HIS A 25 -3.029 -9.362 7.074 1.00 0.00 C ATOM 380 C HIS A 25 -3.236 -9.096 8.567 1.00 0.00 C ATOM 381 O HIS A 25 -3.731 -9.958 9.292 1.00 0.00 O ATOM 382 CB HIS A 25 -4.322 -9.240 6.265 1.00 0.00 C ATOM 383 CG HIS A 25 -4.109 -8.852 4.822 1.00 0.00 C ATOM 384 ND1 HIS A 25 -3.472 -9.676 3.910 1.00 0.00 N ATOM 385 CD2 HIS A 25 -4.455 -7.722 4.142 1.00 0.00 C ATOM 386 CE1 HIS A 25 -3.441 -9.059 2.738 1.00 0.00 C ATOM 387 NE2 HIS A 25 -4.051 -7.847 2.884 1.00 0.00 N ATOM 0 H HIS A 25 -2.695 -11.365 7.592 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.357 -8.593 6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -4.852 -10.192 6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.966 -8.499 6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.971 -6.869 4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.009 -9.447 1.827 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.176 -7.152 2.148 1.00 0.00 H new ATOM 395 N VAL A 26 -2.848 -7.899 8.981 1.00 0.00 N ATOM 396 CA VAL A 26 -2.984 -7.508 10.373 1.00 0.00 C ATOM 397 C VAL A 26 -3.727 -6.173 10.453 1.00 0.00 C ATOM 398 O VAL A 26 -3.123 -5.112 10.307 1.00 0.00 O ATOM 399 CB VAL A 26 -1.609 -7.468 11.043 1.00 0.00 C ATOM 400 CG1 VAL A 26 -0.991 -8.866 11.110 1.00 0.00 C ATOM 401 CG2 VAL A 26 -0.677 -6.490 10.323 1.00 0.00 C ATOM 0 H VAL A 26 -2.439 -7.187 8.376 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.575 -8.243 10.920 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.744 -7.112 12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.014 -8.809 11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.641 -9.524 11.686 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.876 -9.262 10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.294 -6.480 10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.552 -6.803 9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.108 -5.489 10.350 1.00 0.00 H new ATOM 411 N SER A 27 -5.028 -6.270 10.686 1.00 0.00 N ATOM 412 CA SER A 27 -5.860 -5.083 10.787 1.00 0.00 C ATOM 413 C SER A 27 -6.275 -4.857 12.242 1.00 0.00 C ATOM 414 O SER A 27 -6.690 -5.791 12.925 1.00 0.00 O ATOM 415 CB SER A 27 -7.098 -5.200 9.895 1.00 0.00 C ATOM 416 OG SER A 27 -7.593 -6.535 9.842 1.00 0.00 O ATOM 0 H SER A 27 -5.526 -7.152 10.808 1.00 0.00 H new ATOM 0 HA SER A 27 -5.278 -4.228 10.444 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.879 -4.538 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.852 -4.864 8.888 1.00 0.00 H new ATOM 0 HG SER A 27 -8.283 -6.601 9.149 1.00 0.00 H new ATOM 460 N HIS A 32 -5.353 -5.269 20.072 1.00 0.00 N ATOM 461 CA HIS A 32 -6.502 -6.066 19.675 1.00 0.00 C ATOM 462 C HIS A 32 -6.758 -5.886 18.178 1.00 0.00 C ATOM 463 O HIS A 32 -7.460 -4.961 17.771 1.00 0.00 O ATOM 464 CB HIS A 32 -7.722 -5.723 20.531 1.00 0.00 C ATOM 465 CG HIS A 32 -9.040 -5.876 19.810 1.00 0.00 C ATOM 466 ND1 HIS A 32 -9.922 -4.825 19.629 1.00 0.00 N ATOM 467 CD2 HIS A 32 -9.616 -6.966 19.227 1.00 0.00 C ATOM 468 CE1 HIS A 32 -10.978 -5.274 18.966 1.00 0.00 C ATOM 469 NE2 HIS A 32 -10.787 -6.601 18.718 1.00 0.00 N ATOM 0 HA HIS A 32 -6.295 -7.122 19.848 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.726 -6.363 21.413 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.629 -4.696 20.883 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.192 -7.958 19.186 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.839 -4.691 18.673 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -11.436 -7.212 18.223 1.00 0.00 H new ATOM 477 N PHE A 33 -6.175 -6.784 17.398 1.00 0.00 N ATOM 478 CA PHE A 33 -6.332 -6.737 15.954 1.00 0.00 C ATOM 479 C PHE A 33 -6.620 -8.128 15.387 1.00 0.00 C ATOM 480 O PHE A 33 -6.429 -9.133 16.071 1.00 0.00 O ATOM 481 CB PHE A 33 -5.009 -6.228 15.377 1.00 0.00 C ATOM 482 CG PHE A 33 -3.777 -6.978 15.890 1.00 0.00 C ATOM 483 CD1 PHE A 33 -3.405 -6.863 17.193 1.00 0.00 C ATOM 484 CD2 PHE A 33 -3.055 -7.759 15.043 1.00 0.00 C ATOM 485 CE1 PHE A 33 -2.262 -7.558 17.669 1.00 0.00 C ATOM 486 CE2 PHE A 33 -1.912 -8.455 15.519 1.00 0.00 C ATOM 487 CZ PHE A 33 -1.540 -8.340 16.822 1.00 0.00 C ATOM 0 H PHE A 33 -5.593 -7.549 17.739 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.168 -6.088 15.692 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.044 -6.307 14.290 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.903 -5.170 15.616 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.979 -6.243 17.866 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.351 -7.850 14.008 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.966 -7.466 18.704 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.338 -9.075 14.846 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.671 -8.870 17.184 1.00 0.00 H new ATOM 497 N GLN A 34 -7.076 -8.143 14.143 1.00 0.00 N ATOM 498 CA GLN A 34 -7.393 -9.394 13.477 1.00 0.00 C ATOM 499 C GLN A 34 -6.265 -9.787 12.521 1.00 0.00 C ATOM 500 O GLN A 34 -5.786 -8.960 11.748 1.00 0.00 O ATOM 501 CB GLN A 34 -8.730 -9.299 12.738 1.00 0.00 C ATOM 502 CG GLN A 34 -8.775 -10.273 11.559 1.00 0.00 C ATOM 503 CD GLN A 34 -8.780 -11.723 12.045 1.00 0.00 C ATOM 504 OE1 GLN A 34 -9.356 -12.061 13.066 1.00 0.00 O ATOM 505 NE2 GLN A 34 -8.107 -12.559 11.260 1.00 0.00 N ATOM 0 H GLN A 34 -7.233 -7.308 13.579 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.489 -10.172 14.234 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.546 -9.518 13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.880 -8.281 12.379 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.666 -10.084 10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.914 -10.106 10.912 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.647 -12.210 10.419 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.051 -13.549 11.499 1.00 0.00 H new ATOM 514 N VAL A 35 -5.874 -11.050 12.606 1.00 0.00 N ATOM 515 CA VAL A 35 -4.811 -11.563 11.758 1.00 0.00 C ATOM 516 C VAL A 35 -5.401 -12.552 10.751 1.00 0.00 C ATOM 517 O VAL A 35 -5.646 -13.711 11.083 1.00 0.00 O ATOM 518 CB VAL A 35 -3.704 -12.176 12.619 1.00 0.00 C ATOM 519 CG1 VAL A 35 -2.550 -12.680 11.751 1.00 0.00 C ATOM 520 CG2 VAL A 35 -3.208 -11.176 13.666 1.00 0.00 C ATOM 0 H VAL A 35 -6.274 -11.733 13.249 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.352 -10.754 11.190 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.124 -13.032 13.146 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.777 -13.111 12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.918 -13.440 11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.131 -11.849 11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.422 -11.636 14.265 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.813 -10.292 13.166 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.036 -10.887 14.314 1.00 0.00 H new ATOM 530 N ILE A 36 -5.611 -12.058 9.539 1.00 0.00 N ATOM 531 CA ILE A 36 -6.167 -12.884 8.481 1.00 0.00 C ATOM 532 C ILE A 36 -5.027 -13.521 7.685 1.00 0.00 C ATOM 533 O ILE A 36 -4.027 -12.867 7.393 1.00 0.00 O ATOM 534 CB ILE A 36 -7.138 -12.071 7.621 1.00 0.00 C ATOM 535 CG1 ILE A 36 -8.584 -12.508 7.865 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.757 -12.149 6.142 1.00 0.00 C ATOM 537 CD1 ILE A 36 -9.568 -11.524 7.229 1.00 0.00 C ATOM 0 H ILE A 36 -5.406 -11.097 9.267 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.756 -13.698 8.903 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.064 -11.025 7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.742 -13.504 7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.772 -12.574 8.937 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.463 -11.563 5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.751 -11.752 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.785 -13.188 5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.589 -11.857 7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.424 -10.534 7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.393 -11.478 6.154 1.00 0.00 H new ATOM 549 N ALA A 37 -5.215 -14.791 7.356 1.00 0.00 N ATOM 550 CA ALA A 37 -4.214 -15.524 6.599 1.00 0.00 C ATOM 551 C ALA A 37 -4.626 -15.567 5.126 1.00 0.00 C ATOM 552 O ALA A 37 -5.517 -16.327 4.749 1.00 0.00 O ATOM 553 CB ALA A 37 -4.044 -16.922 7.198 1.00 0.00 C ATOM 0 H ALA A 37 -6.045 -15.331 7.600 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.247 -15.025 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.293 -17.472 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.723 -16.836 8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.994 -17.455 7.154 1.00 0.00 H new ATOM 559 N VAL A 38 -3.957 -14.743 4.334 1.00 0.00 N ATOM 560 CA VAL A 38 -4.242 -14.677 2.910 1.00 0.00 C ATOM 561 C VAL A 38 -3.582 -15.865 2.207 1.00 0.00 C ATOM 562 O VAL A 38 -2.527 -16.335 2.632 1.00 0.00 O ATOM 563 CB VAL A 38 -3.794 -13.326 2.349 1.00 0.00 C ATOM 564 CG1 VAL A 38 -3.904 -13.304 0.823 1.00 0.00 C ATOM 565 CG2 VAL A 38 -4.593 -12.181 2.973 1.00 0.00 C ATOM 0 H VAL A 38 -3.218 -14.115 4.651 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.315 -14.748 2.731 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.746 -13.184 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.580 -12.333 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.271 -14.085 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.939 -13.478 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.255 -11.232 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.652 -12.316 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.442 -12.178 4.053 1.00 0.00 H new ATOM 575 N GLY A 39 -4.230 -16.317 1.144 1.00 0.00 N ATOM 576 CA GLY A 39 -3.719 -17.441 0.378 1.00 0.00 C ATOM 577 C GLY A 39 -4.796 -18.006 -0.552 1.00 0.00 C ATOM 578 O GLY A 39 -5.290 -17.304 -1.433 1.00 0.00 O ATOM 0 H GLY A 39 -5.105 -15.925 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.857 -17.124 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.374 -18.221 1.056 1.00 0.00 H new ATOM 582 N GLU A 40 -5.127 -19.268 -0.323 1.00 0.00 N ATOM 583 CA GLU A 40 -6.136 -19.934 -1.129 1.00 0.00 C ATOM 584 C GLU A 40 -6.385 -21.350 -0.604 1.00 0.00 C ATOM 585 O GLU A 40 -7.506 -21.852 -0.671 1.00 0.00 O ATOM 586 CB GLU A 40 -5.730 -19.961 -2.604 1.00 0.00 C ATOM 587 CG GLU A 40 -6.899 -19.554 -3.502 1.00 0.00 C ATOM 588 CD GLU A 40 -7.299 -20.699 -4.435 1.00 0.00 C ATOM 589 OE1 GLU A 40 -8.162 -21.515 -4.079 1.00 0.00 O ATOM 590 OE2 GLU A 40 -6.679 -20.723 -5.566 1.00 0.00 O ATOM 0 H GLU A 40 -4.715 -19.847 0.409 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.065 -19.369 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.890 -19.285 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.391 -20.961 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.752 -19.267 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.622 -18.680 -4.091 1.00 0.00 H new ATOM 598 N LEU A 41 -5.322 -21.952 -0.092 1.00 0.00 N ATOM 599 CA LEU A 41 -5.412 -23.300 0.445 1.00 0.00 C ATOM 600 C LEU A 41 -6.753 -23.471 1.160 1.00 0.00 C ATOM 601 O LEU A 41 -7.532 -24.361 0.822 1.00 0.00 O ATOM 602 CB LEU A 41 -4.200 -23.606 1.327 1.00 0.00 C ATOM 603 CG LEU A 41 -4.187 -24.984 1.994 1.00 0.00 C ATOM 604 CD1 LEU A 41 -4.133 -26.098 0.947 1.00 0.00 C ATOM 605 CD2 LEU A 41 -3.046 -25.092 3.007 1.00 0.00 C ATOM 0 H LEU A 41 -4.394 -21.532 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.385 -24.034 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.300 -23.510 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.142 -22.846 2.106 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.119 -25.106 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.125 -27.067 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.007 -26.031 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.229 -25.991 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.060 -26.080 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.093 -24.941 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.171 -24.332 3.778 1.00 0.00 H new ATOM 617 N PHE A 42 -6.982 -22.604 2.136 1.00 0.00 N ATOM 618 CA PHE A 42 -8.216 -22.648 2.902 1.00 0.00 C ATOM 619 C PHE A 42 -9.299 -21.788 2.247 1.00 0.00 C ATOM 620 O PHE A 42 -10.053 -21.102 2.936 1.00 0.00 O ATOM 621 CB PHE A 42 -7.902 -22.083 4.288 1.00 0.00 C ATOM 622 CG PHE A 42 -7.207 -23.077 5.222 1.00 0.00 C ATOM 623 CD1 PHE A 42 -6.181 -23.841 4.760 1.00 0.00 C ATOM 624 CD2 PHE A 42 -7.614 -23.195 6.514 1.00 0.00 C ATOM 625 CE1 PHE A 42 -5.536 -24.762 5.626 1.00 0.00 C ATOM 626 CE2 PHE A 42 -6.969 -24.117 7.380 1.00 0.00 C ATOM 627 CZ PHE A 42 -5.943 -24.881 6.918 1.00 0.00 C ATOM 0 H PHE A 42 -6.334 -21.867 2.414 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.585 -23.672 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.269 -21.202 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.830 -21.751 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.857 -23.747 3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.428 -22.587 6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.721 -25.369 5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.293 -24.212 8.406 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.452 -25.582 7.577 1.00 0.00 H new ATOM 637 N ASP A 43 -9.342 -21.852 0.924 1.00 0.00 N ATOM 638 CA ASP A 43 -10.319 -21.088 0.169 1.00 0.00 C ATOM 639 C ASP A 43 -11.552 -21.957 -0.088 1.00 0.00 C ATOM 640 O ASP A 43 -11.798 -22.372 -1.220 1.00 0.00 O ATOM 641 CB ASP A 43 -9.754 -20.656 -1.186 1.00 0.00 C ATOM 642 CG ASP A 43 -10.741 -19.917 -2.092 1.00 0.00 C ATOM 643 OD1 ASP A 43 -10.857 -18.684 -2.037 1.00 0.00 O ATOM 644 OD2 ASP A 43 -11.417 -20.671 -2.891 1.00 0.00 O ATOM 0 H ASP A 43 -8.715 -22.422 0.356 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.577 -20.203 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.890 -20.014 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.394 -21.541 -1.711 1.00 0.00 H new ATOM 650 N GLY A 44 -12.294 -22.207 0.981 1.00 0.00 N ATOM 651 CA GLY A 44 -13.494 -23.020 0.885 1.00 0.00 C ATOM 652 C GLY A 44 -13.743 -23.787 2.186 1.00 0.00 C ATOM 653 O GLY A 44 -14.862 -24.225 2.448 1.00 0.00 O ATOM 0 H GLY A 44 -12.087 -21.861 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.351 -22.384 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.396 -23.723 0.058 1.00 0.00 H new ATOM 657 N MET A 45 -12.680 -23.925 2.965 1.00 0.00 N ATOM 658 CA MET A 45 -12.769 -24.632 4.232 1.00 0.00 C ATOM 659 C MET A 45 -13.917 -24.088 5.084 1.00 0.00 C ATOM 660 O MET A 45 -14.230 -22.899 5.025 1.00 0.00 O ATOM 661 CB MET A 45 -11.451 -24.480 4.994 1.00 0.00 C ATOM 662 CG MET A 45 -11.523 -25.175 6.356 1.00 0.00 C ATOM 663 SD MET A 45 -9.895 -25.713 6.853 1.00 0.00 S ATOM 664 CE MET A 45 -9.702 -27.135 5.791 1.00 0.00 C ATOM 0 H MET A 45 -11.754 -23.560 2.744 1.00 0.00 H new ATOM 0 HA MET A 45 -12.962 -25.685 4.027 1.00 0.00 H new ATOM 0 HB2 MET A 45 -10.636 -24.905 4.407 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.226 -23.422 5.133 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.933 -24.493 7.101 1.00 0.00 H new ATOM 0 HG3 MET A 45 -12.197 -26.030 6.302 1.00 0.00 H new ATOM 0 HE1 MET A 45 -9.559 -28.027 6.400 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.594 -27.254 5.177 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.834 -26.993 5.147 1.00 0.00 H new ATOM 674 N SER A 46 -14.514 -24.983 5.857 1.00 0.00 N ATOM 675 CA SER A 46 -15.621 -24.608 6.720 1.00 0.00 C ATOM 676 C SER A 46 -15.112 -23.755 7.884 1.00 0.00 C ATOM 677 O SER A 46 -14.130 -24.110 8.534 1.00 0.00 O ATOM 678 CB SER A 46 -16.352 -25.844 7.247 1.00 0.00 C ATOM 679 OG SER A 46 -17.628 -25.518 7.793 1.00 0.00 O ATOM 0 H SER A 46 -14.252 -25.968 5.904 1.00 0.00 H new ATOM 0 HA SER A 46 -16.329 -24.024 6.133 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.477 -26.564 6.438 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.743 -26.327 8.012 1.00 0.00 H new ATOM 0 HG SER A 46 -18.063 -26.334 8.117 1.00 0.00 H new ATOM 685 N ARG A 47 -15.802 -22.648 8.111 1.00 0.00 N ATOM 686 CA ARG A 47 -15.432 -21.742 9.185 1.00 0.00 C ATOM 687 C ARG A 47 -14.878 -22.528 10.375 1.00 0.00 C ATOM 688 O ARG A 47 -13.699 -22.414 10.705 1.00 0.00 O ATOM 689 CB ARG A 47 -16.632 -20.912 9.644 1.00 0.00 C ATOM 690 CG ARG A 47 -16.184 -19.731 10.508 1.00 0.00 C ATOM 691 CD ARG A 47 -16.972 -18.467 10.159 1.00 0.00 C ATOM 692 NE ARG A 47 -18.378 -18.609 10.599 1.00 0.00 N ATOM 693 CZ ARG A 47 -18.778 -18.548 11.888 1.00 0.00 C ATOM 694 NH1 ARG A 47 -17.879 -18.346 12.875 1.00 0.00 N ATOM 695 NH2 ARG A 47 -20.060 -18.689 12.167 1.00 0.00 N ATOM 0 H ARG A 47 -16.616 -22.357 7.569 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.665 -21.069 8.801 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.178 -20.545 8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.319 -21.541 10.210 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -16.325 -19.972 11.562 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.119 -19.552 10.362 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.518 -17.601 10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.935 -18.291 9.084 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.089 -18.763 9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.890 -18.238 12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.189 -18.301 13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.732 -18.841 11.415 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.379 -18.646 13.135 1.00 0.00 H new ATOM 708 N VAL A 48 -15.756 -23.309 10.987 1.00 0.00 N ATOM 709 CA VAL A 48 -15.370 -24.114 12.134 1.00 0.00 C ATOM 710 C VAL A 48 -14.074 -24.861 11.814 1.00 0.00 C ATOM 711 O VAL A 48 -13.010 -24.512 12.324 1.00 0.00 O ATOM 712 CB VAL A 48 -16.517 -25.048 12.527 1.00 0.00 C ATOM 713 CG1 VAL A 48 -17.236 -25.585 11.288 1.00 0.00 C ATOM 714 CG2 VAL A 48 -16.013 -26.193 13.408 1.00 0.00 C ATOM 0 H VAL A 48 -16.733 -23.402 10.710 1.00 0.00 H new ATOM 0 HA VAL A 48 -15.174 -23.479 12.998 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.236 -24.470 13.107 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.046 -26.246 11.595 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.644 -24.753 10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.530 -26.140 10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.847 -26.842 13.673 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.264 -26.769 12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.568 -25.785 14.315 1.00 0.00 H new ATOM 724 N LYS A 49 -14.205 -25.874 10.971 1.00 0.00 N ATOM 725 CA LYS A 49 -13.057 -26.673 10.577 1.00 0.00 C ATOM 726 C LYS A 49 -11.839 -25.762 10.414 1.00 0.00 C ATOM 727 O LYS A 49 -10.709 -26.178 10.666 1.00 0.00 O ATOM 728 CB LYS A 49 -13.380 -27.497 9.329 1.00 0.00 C ATOM 729 CG LYS A 49 -12.977 -28.960 9.518 1.00 0.00 C ATOM 730 CD LYS A 49 -11.536 -29.196 9.063 1.00 0.00 C ATOM 731 CE LYS A 49 -11.126 -30.655 9.273 1.00 0.00 C ATOM 732 NZ LYS A 49 -9.678 -30.750 9.567 1.00 0.00 N ATOM 0 H LYS A 49 -15.089 -26.160 10.550 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.812 -27.397 11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.447 -27.435 9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.857 -27.080 8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.080 -29.237 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.651 -29.602 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.436 -28.935 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.864 -28.542 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.699 -31.085 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.361 -31.237 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.507 -31.543 10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.154 -30.908 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.355 -29.865 10.008 1.00 0.00 H new ATOM 745 N LYS A 50 -12.109 -24.535 9.993 1.00 0.00 N ATOM 746 CA LYS A 50 -11.050 -23.561 9.793 1.00 0.00 C ATOM 747 C LYS A 50 -10.506 -23.119 11.153 1.00 0.00 C ATOM 748 O LYS A 50 -9.420 -23.533 11.557 1.00 0.00 O ATOM 749 CB LYS A 50 -11.542 -22.404 8.922 1.00 0.00 C ATOM 750 CG LYS A 50 -10.409 -21.847 8.058 1.00 0.00 C ATOM 751 CD LYS A 50 -10.567 -20.339 7.853 1.00 0.00 C ATOM 752 CE LYS A 50 -11.556 -20.040 6.725 1.00 0.00 C ATOM 753 NZ LYS A 50 -12.833 -20.751 6.953 1.00 0.00 N ATOM 0 H LYS A 50 -13.047 -24.193 9.785 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.220 -24.009 9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.357 -22.746 8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.944 -21.613 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.450 -22.055 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.403 -22.350 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.914 -19.877 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.599 -19.897 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.736 -18.967 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.129 -20.344 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.602 -20.247 6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.763 -21.719 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.033 -20.788 7.973 1.00 0.00 H new ATOM 766 N GLN A 51 -11.287 -22.283 11.823 1.00 0.00 N ATOM 767 CA GLN A 51 -10.898 -21.781 13.130 1.00 0.00 C ATOM 768 C GLN A 51 -10.265 -22.898 13.962 1.00 0.00 C ATOM 769 O GLN A 51 -9.306 -22.663 14.695 1.00 0.00 O ATOM 770 CB GLN A 51 -12.093 -21.164 13.859 1.00 0.00 C ATOM 771 CG GLN A 51 -11.648 -20.023 14.775 1.00 0.00 C ATOM 772 CD GLN A 51 -10.901 -18.946 13.986 1.00 0.00 C ATOM 773 OE1 GLN A 51 -11.463 -18.238 13.166 1.00 0.00 O ATOM 774 NE2 GLN A 51 -9.606 -18.862 14.278 1.00 0.00 N ATOM 0 H GLN A 51 -12.187 -21.941 11.485 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.156 -20.995 12.989 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.814 -20.791 13.132 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.600 -21.930 14.446 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.518 -19.584 15.263 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.004 -20.414 15.563 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.199 -19.486 14.975 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.020 -18.174 13.805 1.00 0.00 H new ATOM 783 N GLN A 52 -10.827 -24.089 13.819 1.00 0.00 N ATOM 784 CA GLN A 52 -10.330 -25.243 14.549 1.00 0.00 C ATOM 785 C GLN A 52 -8.928 -25.616 14.061 1.00 0.00 C ATOM 786 O GLN A 52 -7.951 -25.457 14.790 1.00 0.00 O ATOM 787 CB GLN A 52 -11.289 -26.428 14.419 1.00 0.00 C ATOM 788 CG GLN A 52 -10.758 -27.648 15.175 1.00 0.00 C ATOM 789 CD GLN A 52 -11.846 -28.263 16.058 1.00 0.00 C ATOM 790 OE1 GLN A 52 -12.891 -28.689 15.593 1.00 0.00 O ATOM 791 NE2 GLN A 52 -11.544 -28.284 17.353 1.00 0.00 N ATOM 0 H GLN A 52 -11.622 -24.280 13.209 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.268 -24.982 15.605 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.269 -26.152 14.809 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.424 -26.678 13.367 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.398 -28.392 14.464 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.907 -27.357 15.790 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.651 -27.911 17.675 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.205 -28.674 18.025 1.00 0.00 H new ATOM 800 N THR A 53 -8.875 -26.105 12.830 1.00 0.00 N ATOM 801 CA THR A 53 -7.610 -26.501 12.236 1.00 0.00 C ATOM 802 C THR A 53 -6.571 -25.391 12.405 1.00 0.00 C ATOM 803 O THR A 53 -5.369 -25.648 12.352 1.00 0.00 O ATOM 804 CB THR A 53 -7.870 -26.874 10.775 1.00 0.00 C ATOM 805 OG1 THR A 53 -8.460 -28.169 10.847 1.00 0.00 O ATOM 806 CG2 THR A 53 -6.576 -27.097 9.989 1.00 0.00 C ATOM 0 H THR A 53 -9.688 -26.236 12.228 1.00 0.00 H new ATOM 0 HA THR A 53 -7.192 -27.373 12.739 1.00 0.00 H new ATOM 0 HB THR A 53 -8.454 -26.087 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.429 -28.081 10.966 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.817 -27.359 8.959 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.981 -26.184 10.002 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.008 -27.907 10.446 1.00 0.00 H new ATOM 814 N VAL A 54 -7.072 -24.181 12.604 1.00 0.00 N ATOM 815 CA VAL A 54 -6.202 -23.031 12.780 1.00 0.00 C ATOM 816 C VAL A 54 -5.834 -22.896 14.259 1.00 0.00 C ATOM 817 O VAL A 54 -4.739 -22.446 14.592 1.00 0.00 O ATOM 818 CB VAL A 54 -6.871 -21.776 12.214 1.00 0.00 C ATOM 819 CG1 VAL A 54 -5.963 -20.554 12.368 1.00 0.00 C ATOM 820 CG2 VAL A 54 -7.272 -21.982 10.752 1.00 0.00 C ATOM 0 H VAL A 54 -8.069 -23.972 12.647 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.274 -23.167 12.225 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.779 -21.592 12.788 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.462 -19.676 11.958 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.750 -20.390 13.424 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.030 -20.724 11.832 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.745 -21.076 10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.385 -22.203 10.159 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.972 -22.814 10.681 1.00 0.00 H new ATOM 830 N TYR A 55 -6.771 -23.295 15.107 1.00 0.00 N ATOM 831 CA TYR A 55 -6.560 -23.225 16.543 1.00 0.00 C ATOM 832 C TYR A 55 -5.815 -24.463 17.049 1.00 0.00 C ATOM 833 O TYR A 55 -5.271 -24.457 18.152 1.00 0.00 O ATOM 834 CB TYR A 55 -7.953 -23.190 17.173 1.00 0.00 C ATOM 835 CG TYR A 55 -7.946 -22.981 18.689 1.00 0.00 C ATOM 836 CD1 TYR A 55 -6.933 -22.254 19.280 1.00 0.00 C ATOM 837 CD2 TYR A 55 -8.953 -23.519 19.465 1.00 0.00 C ATOM 838 CE1 TYR A 55 -6.926 -22.057 20.707 1.00 0.00 C ATOM 839 CE2 TYR A 55 -8.946 -23.322 20.891 1.00 0.00 C ATOM 840 CZ TYR A 55 -7.933 -22.601 21.442 1.00 0.00 C ATOM 841 OH TYR A 55 -7.926 -22.415 22.789 1.00 0.00 O ATOM 0 H TYR A 55 -7.678 -23.668 14.827 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.963 -22.350 16.801 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.530 -22.390 16.709 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.466 -24.125 16.948 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.145 -21.833 18.673 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.746 -24.088 19.002 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.139 -21.490 21.182 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.728 -23.738 21.510 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.706 -22.858 23.184 1.00 0.00 H new ATOM 851 N GLY A 56 -5.816 -25.495 16.218 1.00 0.00 N ATOM 852 CA GLY A 56 -5.147 -26.737 16.567 1.00 0.00 C ATOM 853 C GLY A 56 -3.655 -26.506 16.814 1.00 0.00 C ATOM 854 O GLY A 56 -3.129 -26.885 17.859 1.00 0.00 O ATOM 0 H GLY A 56 -6.269 -25.497 15.304 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.605 -27.163 17.460 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.278 -27.463 15.764 1.00 0.00 H new ATOM 858 N PRO A 57 -2.998 -25.869 15.808 1.00 0.00 N ATOM 859 CA PRO A 57 -1.577 -25.583 15.905 1.00 0.00 C ATOM 860 C PRO A 57 -1.317 -24.417 16.860 1.00 0.00 C ATOM 861 O PRO A 57 -0.835 -24.617 17.974 1.00 0.00 O ATOM 862 CB PRO A 57 -1.135 -25.294 14.480 1.00 0.00 C ATOM 863 CG PRO A 57 -2.404 -24.972 13.707 1.00 0.00 C ATOM 864 CD PRO A 57 -3.589 -25.406 14.555 1.00 0.00 C ATOM 0 HA PRO A 57 -1.008 -26.414 16.323 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.437 -24.458 14.450 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.622 -26.153 14.048 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.459 -23.905 13.491 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.410 -25.492 12.749 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.279 -24.579 14.724 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.156 -26.199 14.067 1.00 0.00 H new ATOM 872 N LEU A 58 -1.647 -23.223 16.389 1.00 0.00 N ATOM 873 CA LEU A 58 -1.455 -22.024 17.188 1.00 0.00 C ATOM 874 C LEU A 58 -2.446 -22.029 18.353 1.00 0.00 C ATOM 875 O LEU A 58 -2.989 -20.986 18.715 1.00 0.00 O ATOM 876 CB LEU A 58 -1.545 -20.775 16.309 1.00 0.00 C ATOM 877 CG LEU A 58 -2.808 -20.645 15.456 1.00 0.00 C ATOM 878 CD1 LEU A 58 -4.065 -20.694 16.327 1.00 0.00 C ATOM 879 CD2 LEU A 58 -2.759 -19.383 14.592 1.00 0.00 C ATOM 0 H LEU A 58 -2.046 -23.060 15.464 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.455 -22.010 17.620 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.472 -19.897 16.951 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.680 -20.758 15.646 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.852 -21.498 14.778 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.949 -20.599 15.696 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.101 -21.643 16.861 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.042 -19.874 17.045 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.669 -19.315 13.996 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.679 -18.506 15.234 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.894 -19.428 13.930 1.00 0.00 H new ATOM 891 N MET A 59 -2.651 -23.214 18.909 1.00 0.00 N ATOM 892 CA MET A 59 -3.568 -23.368 20.026 1.00 0.00 C ATOM 893 C MET A 59 -2.973 -22.781 21.308 1.00 0.00 C ATOM 894 O MET A 59 -3.651 -22.058 22.037 1.00 0.00 O ATOM 895 CB MET A 59 -3.871 -24.852 20.237 1.00 0.00 C ATOM 896 CG MET A 59 -5.324 -25.058 20.672 1.00 0.00 C ATOM 897 SD MET A 59 -5.390 -25.448 22.413 1.00 0.00 S ATOM 898 CE MET A 59 -5.227 -27.224 22.339 1.00 0.00 C ATOM 0 H MET A 59 -2.198 -24.077 18.607 1.00 0.00 H new ATOM 0 HA MET A 59 -4.487 -22.830 19.794 1.00 0.00 H new ATOM 0 HB2 MET A 59 -3.683 -25.400 19.314 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.200 -25.260 20.993 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.904 -24.157 20.470 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.775 -25.864 20.093 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.249 -27.634 23.349 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.051 -27.641 21.760 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.281 -27.483 21.863 1.00 0.00 H new ATOM 908 N GLU A 60 -1.712 -23.114 21.544 1.00 0.00 N ATOM 909 CA GLU A 60 -1.019 -22.629 22.725 1.00 0.00 C ATOM 910 C GLU A 60 -0.822 -21.114 22.641 1.00 0.00 C ATOM 911 O GLU A 60 -1.243 -20.380 23.534 1.00 0.00 O ATOM 912 CB GLU A 60 0.321 -23.346 22.907 1.00 0.00 C ATOM 913 CG GLU A 60 0.242 -24.378 24.034 1.00 0.00 C ATOM 914 CD GLU A 60 1.485 -25.270 24.049 1.00 0.00 C ATOM 915 OE1 GLU A 60 2.279 -25.210 25.000 1.00 0.00 O ATOM 916 OE2 GLU A 60 1.611 -26.046 23.027 1.00 0.00 O ATOM 0 H GLU A 60 -1.153 -23.714 20.937 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.634 -22.848 23.598 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.603 -23.839 21.977 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.100 -22.617 23.130 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.144 -23.868 24.992 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.649 -24.992 23.907 1.00 0.00 H new ATOM 924 N TYR A 61 -0.184 -20.691 21.560 1.00 0.00 N ATOM 925 CA TYR A 61 0.073 -19.277 21.348 1.00 0.00 C ATOM 926 C TYR A 61 -1.185 -18.446 21.609 1.00 0.00 C ATOM 927 O TYR A 61 -1.095 -17.284 22.001 1.00 0.00 O ATOM 928 CB TYR A 61 0.467 -19.136 19.876 1.00 0.00 C ATOM 929 CG TYR A 61 1.920 -18.709 19.659 1.00 0.00 C ATOM 930 CD1 TYR A 61 2.392 -17.547 20.236 1.00 0.00 C ATOM 931 CD2 TYR A 61 2.759 -19.486 18.886 1.00 0.00 C ATOM 932 CE1 TYR A 61 3.759 -17.146 20.031 1.00 0.00 C ATOM 933 CE2 TYR A 61 4.127 -19.084 18.682 1.00 0.00 C ATOM 934 CZ TYR A 61 4.559 -17.934 19.264 1.00 0.00 C ATOM 935 OH TYR A 61 5.851 -17.555 19.071 1.00 0.00 O ATOM 0 H TYR A 61 0.163 -21.303 20.821 1.00 0.00 H new ATOM 0 HA TYR A 61 0.851 -18.923 22.025 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.300 -20.088 19.373 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.190 -18.406 19.403 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.736 -16.939 20.841 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.390 -20.395 18.434 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.141 -16.239 20.476 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.795 -19.683 18.080 1.00 0.00 H new ATOM 0 HH TYR A 61 6.304 -18.214 18.504 1.00 0.00 H new ATOM 945 N ILE A 62 -2.328 -19.075 21.380 1.00 0.00 N ATOM 946 CA ILE A 62 -3.603 -18.408 21.586 1.00 0.00 C ATOM 947 C ILE A 62 -3.898 -18.332 23.085 1.00 0.00 C ATOM 948 O ILE A 62 -4.060 -17.243 23.635 1.00 0.00 O ATOM 949 CB ILE A 62 -4.704 -19.096 20.776 1.00 0.00 C ATOM 950 CG1 ILE A 62 -4.807 -18.498 19.372 1.00 0.00 C ATOM 951 CG2 ILE A 62 -6.041 -19.049 21.519 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.429 -18.096 18.844 1.00 0.00 C ATOM 0 H ILE A 62 -2.398 -20.039 21.054 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.561 -17.383 21.217 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.437 -20.146 20.659 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.262 -19.223 18.697 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.461 -17.626 19.391 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.807 -19.545 20.922 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.942 -19.558 22.478 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.328 -18.011 21.687 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.531 -17.674 17.844 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.987 -17.353 19.508 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.785 -18.974 18.803 1.00 0.00 H new ATOM 964 N ALA A 63 -3.959 -19.502 23.704 1.00 0.00 N ATOM 965 CA ALA A 63 -4.232 -19.581 25.129 1.00 0.00 C ATOM 966 C ALA A 63 -3.483 -18.458 25.850 1.00 0.00 C ATOM 967 O ALA A 63 -3.997 -17.880 26.807 1.00 0.00 O ATOM 968 CB ALA A 63 -3.843 -20.967 25.647 1.00 0.00 C ATOM 0 H ALA A 63 -3.824 -20.403 23.245 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.296 -19.447 25.324 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.048 -21.027 26.716 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.423 -21.727 25.124 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.781 -21.136 25.471 1.00 0.00 H new ATOM 974 N ASP A 64 -2.282 -18.184 25.364 1.00 0.00 N ATOM 975 CA ASP A 64 -1.457 -17.141 25.951 1.00 0.00 C ATOM 976 C ASP A 64 -1.827 -15.794 25.328 1.00 0.00 C ATOM 977 O ASP A 64 -1.909 -14.784 26.026 1.00 0.00 O ATOM 978 CB ASP A 64 0.027 -17.395 25.682 1.00 0.00 C ATOM 979 CG ASP A 64 0.691 -18.404 26.620 1.00 0.00 C ATOM 980 OD1 ASP A 64 0.460 -18.392 27.838 1.00 0.00 O ATOM 981 OD2 ASP A 64 1.488 -19.241 26.046 1.00 0.00 O ATOM 0 H ASP A 64 -1.860 -18.666 24.570 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.632 -17.138 27.027 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.140 -17.746 24.656 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.561 -16.448 25.755 1.00 0.00 H new ATOM 987 N ASN A 65 -2.040 -15.821 24.020 1.00 0.00 N ATOM 988 CA ASN A 65 -2.400 -14.615 23.295 1.00 0.00 C ATOM 989 C ASN A 65 -3.373 -13.789 24.138 1.00 0.00 C ATOM 990 O ASN A 65 -3.367 -12.560 24.074 1.00 0.00 O ATOM 991 CB ASN A 65 -3.089 -14.952 21.971 1.00 0.00 C ATOM 992 CG ASN A 65 -3.750 -13.712 21.366 1.00 0.00 C ATOM 993 OD1 ASN A 65 -4.779 -13.782 20.714 1.00 0.00 O ATOM 994 ND2 ASN A 65 -3.103 -12.578 21.616 1.00 0.00 N ATOM 0 H ASN A 65 -1.970 -16.660 23.444 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.485 -14.058 23.093 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.359 -15.358 21.270 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.839 -15.726 22.134 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.463 -11.695 21.255 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.246 -12.591 22.169 1.00 0.00 H new ATOM 1001 N ARG A 66 -4.186 -14.496 24.909 1.00 0.00 N ATOM 1002 CA ARG A 66 -5.163 -13.844 25.764 1.00 0.00 C ATOM 1003 C ARG A 66 -4.651 -12.471 26.204 1.00 0.00 C ATOM 1004 O ARG A 66 -5.408 -11.502 26.234 1.00 0.00 O ATOM 1005 CB ARG A 66 -5.463 -14.690 27.002 1.00 0.00 C ATOM 1006 CG ARG A 66 -6.672 -14.140 27.762 1.00 0.00 C ATOM 1007 CD ARG A 66 -7.942 -14.917 27.408 1.00 0.00 C ATOM 1008 NE ARG A 66 -8.856 -14.949 28.571 1.00 0.00 N ATOM 1009 CZ ARG A 66 -9.765 -13.990 28.846 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -9.889 -12.912 28.043 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -10.531 -14.121 29.913 1.00 0.00 N ATOM 0 H ARG A 66 -4.188 -15.515 24.959 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.081 -13.726 25.188 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.654 -15.721 26.705 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.592 -14.703 27.657 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.491 -14.202 28.835 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.808 -13.085 27.522 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.439 -14.450 26.557 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.685 -15.933 27.109 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.795 -15.746 29.205 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.293 -12.817 27.221 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.579 -12.192 28.259 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.431 -14.938 30.515 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.223 -13.405 30.135 1.00 0.00 H new ATOM 1024 N ILE A 67 -3.368 -12.432 26.535 1.00 0.00 N ATOM 1025 CA ILE A 67 -2.746 -11.194 26.972 1.00 0.00 C ATOM 1026 C ILE A 67 -3.243 -10.041 26.098 1.00 0.00 C ATOM 1027 O ILE A 67 -3.583 -8.974 26.606 1.00 0.00 O ATOM 1028 CB ILE A 67 -1.223 -11.338 26.992 1.00 0.00 C ATOM 1029 CG1 ILE A 67 -0.700 -11.822 25.638 1.00 0.00 C ATOM 1030 CG2 ILE A 67 -0.773 -12.246 28.139 1.00 0.00 C ATOM 1031 CD1 ILE A 67 0.826 -11.939 25.650 1.00 0.00 C ATOM 0 H ILE A 67 -2.743 -13.238 26.509 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.035 -10.964 27.997 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.789 -10.354 27.171 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.141 -12.790 25.399 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.009 -11.129 24.856 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.314 -12.332 28.131 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.096 -11.820 29.089 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.216 -13.234 28.016 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.172 -12.285 24.676 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.264 -10.964 25.866 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.130 -12.651 26.417 1.00 0.00 H new ATOM 1043 N HIS A 68 -3.270 -10.296 24.798 1.00 0.00 N ATOM 1044 CA HIS A 68 -3.720 -9.293 23.848 1.00 0.00 C ATOM 1045 C HIS A 68 -5.030 -9.749 23.202 1.00 0.00 C ATOM 1046 O HIS A 68 -5.862 -10.379 23.853 1.00 0.00 O ATOM 1047 CB HIS A 68 -2.628 -8.988 22.822 1.00 0.00 C ATOM 1048 CG HIS A 68 -1.226 -9.041 23.382 1.00 0.00 C ATOM 1049 ND1 HIS A 68 -0.155 -9.557 22.674 1.00 0.00 N ATOM 1050 CD2 HIS A 68 -0.733 -8.638 24.588 1.00 0.00 C ATOM 1051 CE1 HIS A 68 0.929 -9.464 23.429 1.00 0.00 C ATOM 1052 NE2 HIS A 68 0.569 -8.895 24.615 1.00 0.00 N ATOM 0 H HIS A 68 -2.988 -11.183 24.380 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.919 -8.357 24.369 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.707 -9.700 22.000 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.804 -7.997 22.403 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.305 -8.187 25.385 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.924 -9.783 23.154 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.197 -8.699 25.395 1.00 0.00 H new ATOM 1060 N ALA A 69 -5.172 -9.414 21.928 1.00 0.00 N ATOM 1061 CA ALA A 69 -6.367 -9.781 21.186 1.00 0.00 C ATOM 1062 C ALA A 69 -6.027 -9.880 19.698 1.00 0.00 C ATOM 1063 O ALA A 69 -6.452 -9.042 18.904 1.00 0.00 O ATOM 1064 CB ALA A 69 -7.474 -8.763 21.465 1.00 0.00 C ATOM 0 H ALA A 69 -4.480 -8.892 21.390 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.733 -10.756 21.506 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.370 -9.038 20.909 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.698 -8.752 22.532 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.144 -7.772 21.154 1.00 0.00 H new ATOM 1070 N VAL A 70 -5.265 -10.911 19.364 1.00 0.00 N ATOM 1071 CA VAL A 70 -4.863 -11.130 17.985 1.00 0.00 C ATOM 1072 C VAL A 70 -5.647 -12.312 17.412 1.00 0.00 C ATOM 1073 O VAL A 70 -5.259 -13.465 17.593 1.00 0.00 O ATOM 1074 CB VAL A 70 -3.347 -11.322 17.906 1.00 0.00 C ATOM 1075 CG1 VAL A 70 -2.621 -10.339 18.825 1.00 0.00 C ATOM 1076 CG2 VAL A 70 -2.960 -12.766 18.232 1.00 0.00 C ATOM 0 H VAL A 70 -4.915 -11.604 20.025 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.098 -10.258 17.375 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.036 -11.115 16.882 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.545 -10.497 18.750 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.860 -9.318 18.527 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.940 -10.500 19.855 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.877 -12.876 18.169 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.291 -13.013 19.241 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.435 -13.440 17.519 1.00 0.00 H new ATOM 1086 N SER A 71 -6.736 -11.985 16.732 1.00 0.00 N ATOM 1087 CA SER A 71 -7.578 -13.006 16.131 1.00 0.00 C ATOM 1088 C SER A 71 -6.867 -13.629 14.928 1.00 0.00 C ATOM 1089 O SER A 71 -5.940 -13.038 14.376 1.00 0.00 O ATOM 1090 CB SER A 71 -8.929 -12.426 15.708 1.00 0.00 C ATOM 1091 OG SER A 71 -9.754 -12.121 16.829 1.00 0.00 O ATOM 0 H SER A 71 -7.055 -11.028 16.584 1.00 0.00 H new ATOM 0 HA SER A 71 -7.763 -13.780 16.876 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.767 -11.522 15.120 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.443 -13.138 15.063 1.00 0.00 H new ATOM 0 HG SER A 71 -10.606 -11.752 16.517 1.00 0.00 H new ATOM 1097 N ILE A 72 -7.329 -14.814 14.557 1.00 0.00 N ATOM 1098 CA ILE A 72 -6.749 -15.523 13.430 1.00 0.00 C ATOM 1099 C ILE A 72 -7.870 -16.118 12.575 1.00 0.00 C ATOM 1100 O ILE A 72 -8.690 -16.889 13.071 1.00 0.00 O ATOM 1101 CB ILE A 72 -5.730 -16.557 13.914 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -4.501 -16.584 13.003 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -6.373 -17.939 14.049 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -3.329 -15.837 13.643 1.00 0.00 C ATOM 0 H ILE A 72 -8.098 -15.301 15.017 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.193 -14.835 12.793 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.389 -16.262 14.906 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.214 -17.616 12.804 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.745 -16.130 12.043 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.627 -18.655 14.394 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.191 -17.891 14.768 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.760 -18.257 13.081 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.468 -15.871 12.976 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.611 -14.799 13.819 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.072 -16.308 14.592 1.00 0.00 H new ATOM 1116 N LYS A 73 -7.869 -15.737 11.306 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.876 -16.223 10.379 1.00 0.00 C ATOM 1118 C LYS A 73 -8.240 -16.425 9.002 1.00 0.00 C ATOM 1119 O LYS A 73 -7.776 -15.470 8.382 1.00 0.00 O ATOM 1120 CB LYS A 73 -10.088 -15.288 10.365 1.00 0.00 C ATOM 1121 CG LYS A 73 -11.194 -15.810 11.284 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.169 -15.093 12.635 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.488 -14.362 12.892 1.00 0.00 C ATOM 1124 NZ LYS A 73 -12.351 -13.432 14.036 1.00 0.00 N ATOM 0 H LYS A 73 -7.187 -15.098 10.898 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.254 -17.193 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.786 -14.290 10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.469 -15.196 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.164 -15.665 10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.070 -16.882 11.435 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.988 -15.816 13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.344 -14.381 12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.784 -13.810 12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.278 -15.085 13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.255 -12.944 14.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.090 -13.967 14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.612 -12.731 13.827 1.00 0.00 H new ATOM 1137 N ALA A 74 -8.239 -17.676 8.564 1.00 0.00 N ATOM 1138 CA ALA A 74 -7.668 -18.016 7.272 1.00 0.00 C ATOM 1139 C ALA A 74 -8.680 -17.694 6.171 1.00 0.00 C ATOM 1140 O ALA A 74 -9.721 -18.341 6.071 1.00 0.00 O ATOM 1141 CB ALA A 74 -7.252 -19.488 7.269 1.00 0.00 C ATOM 0 H ALA A 74 -8.625 -18.466 9.081 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.773 -17.424 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.824 -19.743 6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.510 -19.658 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.125 -20.113 7.456 1.00 0.00 H new ATOM 1147 N TYR A 75 -8.338 -16.694 5.371 1.00 0.00 N ATOM 1148 CA TYR A 75 -9.204 -16.279 4.281 1.00 0.00 C ATOM 1149 C TYR A 75 -8.384 -15.780 3.089 1.00 0.00 C ATOM 1150 O TYR A 75 -7.155 -15.794 3.128 1.00 0.00 O ATOM 1151 CB TYR A 75 -10.044 -15.122 4.826 1.00 0.00 C ATOM 1152 CG TYR A 75 -11.140 -15.555 5.802 1.00 0.00 C ATOM 1153 CD1 TYR A 75 -11.969 -16.611 5.483 1.00 0.00 C ATOM 1154 CD2 TYR A 75 -11.300 -14.889 7.000 1.00 0.00 C ATOM 1155 CE1 TYR A 75 -13.001 -17.019 6.401 1.00 0.00 C ATOM 1156 CE2 TYR A 75 -12.332 -15.297 7.918 1.00 0.00 C ATOM 1157 CZ TYR A 75 -13.132 -16.341 7.573 1.00 0.00 C ATOM 1158 OH TYR A 75 -14.106 -16.726 8.440 1.00 0.00 O ATOM 0 H TYR A 75 -7.473 -16.160 5.456 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.815 -17.114 3.938 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.385 -14.413 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -10.504 -14.595 3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -11.844 -17.131 4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.652 -14.062 7.249 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -13.656 -17.844 6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -12.467 -14.785 8.859 1.00 0.00 H new ATOM 0 HH TYR A 75 -14.081 -16.153 9.235 1.00 0.00 H new ATOM 1168 N THR A 76 -9.098 -15.352 2.058 1.00 0.00 N ATOM 1169 CA THR A 76 -8.452 -14.850 0.858 1.00 0.00 C ATOM 1170 C THR A 76 -8.186 -13.348 0.983 1.00 0.00 C ATOM 1171 O THR A 76 -8.438 -12.755 2.031 1.00 0.00 O ATOM 1172 CB THR A 76 -9.332 -15.213 -0.340 1.00 0.00 C ATOM 1173 OG1 THR A 76 -10.168 -14.072 -0.515 1.00 0.00 O ATOM 1174 CG2 THR A 76 -10.310 -16.346 -0.025 1.00 0.00 C ATOM 0 H THR A 76 -10.118 -15.343 2.029 1.00 0.00 H new ATOM 0 HA THR A 76 -7.475 -15.310 0.714 1.00 0.00 H new ATOM 0 HB THR A 76 -8.700 -15.501 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.770 -14.221 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.910 -16.564 -0.908 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.753 -17.237 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.964 -16.045 0.793 1.00 0.00 H new ATOM 1182 N PRO A 77 -7.667 -12.762 -0.129 1.00 0.00 N ATOM 1183 CA PRO A 77 -7.364 -11.341 -0.153 1.00 0.00 C ATOM 1184 C PRO A 77 -8.643 -10.509 -0.270 1.00 0.00 C ATOM 1185 O PRO A 77 -8.784 -9.485 0.396 1.00 0.00 O ATOM 1186 CB PRO A 77 -6.427 -11.159 -1.336 1.00 0.00 C ATOM 1187 CG PRO A 77 -6.608 -12.393 -2.205 1.00 0.00 C ATOM 1188 CD PRO A 77 -7.356 -13.433 -1.387 1.00 0.00 C ATOM 0 HA PRO A 77 -6.894 -10.996 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.669 -10.252 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.393 -11.063 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.165 -12.145 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.640 -12.781 -2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.263 -13.760 -1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.746 -14.321 -1.222 1.00 0.00 H new ATOM 1196 N ALA A 78 -9.542 -10.981 -1.121 1.00 0.00 N ATOM 1197 CA ALA A 78 -10.804 -10.294 -1.333 1.00 0.00 C ATOM 1198 C ALA A 78 -11.742 -10.584 -0.159 1.00 0.00 C ATOM 1199 O ALA A 78 -12.609 -9.774 0.162 1.00 0.00 O ATOM 1200 CB ALA A 78 -11.400 -10.724 -2.675 1.00 0.00 C ATOM 0 H ALA A 78 -9.421 -11.831 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.651 -9.216 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.347 -10.209 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.709 -10.469 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -11.569 -11.801 -2.670 1.00 0.00 H new ATOM 1206 N GLU A 79 -11.535 -11.743 0.449 1.00 0.00 N ATOM 1207 CA GLU A 79 -12.351 -12.150 1.580 1.00 0.00 C ATOM 1208 C GLU A 79 -12.306 -11.086 2.678 1.00 0.00 C ATOM 1209 O GLU A 79 -13.270 -10.916 3.423 1.00 0.00 O ATOM 1210 CB GLU A 79 -11.903 -13.511 2.118 1.00 0.00 C ATOM 1211 CG GLU A 79 -12.870 -14.024 3.187 1.00 0.00 C ATOM 1212 CD GLU A 79 -13.352 -15.438 2.858 1.00 0.00 C ATOM 1213 OE1 GLU A 79 -12.539 -16.300 2.490 1.00 0.00 O ATOM 1214 OE2 GLU A 79 -14.620 -15.629 2.998 1.00 0.00 O ATOM 0 H GLU A 79 -10.814 -12.413 0.180 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.382 -12.251 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.846 -14.229 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.901 -13.428 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.377 -14.021 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.725 -13.352 3.261 1.00 0.00 H new ATOM 1222 N TRP A 80 -11.177 -10.395 2.742 1.00 0.00 N ATOM 1223 CA TRP A 80 -10.994 -9.351 3.736 1.00 0.00 C ATOM 1224 C TRP A 80 -11.952 -8.206 3.401 1.00 0.00 C ATOM 1225 O TRP A 80 -12.620 -7.673 4.285 1.00 0.00 O ATOM 1226 CB TRP A 80 -9.531 -8.907 3.802 1.00 0.00 C ATOM 1227 CG TRP A 80 -8.940 -8.920 5.213 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -7.665 -9.127 5.571 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -9.656 -8.708 6.447 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -7.508 -9.064 6.941 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -8.757 -8.801 7.490 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -11.018 -8.446 6.675 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -9.122 -8.646 8.833 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -11.367 -8.293 8.023 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -10.474 -8.384 9.084 1.00 0.00 C ATOM 0 H TRP A 80 -10.380 -10.538 2.122 1.00 0.00 H new ATOM 0 HA TRP A 80 -11.231 -9.722 4.733 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -8.935 -9.559 3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.449 -7.900 3.394 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.862 -9.319 4.875 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.636 -9.188 7.455 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -11.739 -8.369 5.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.400 -8.724 9.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -12.402 -8.090 8.254 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -10.822 -8.253 10.098 1.00 0.00 H new ATOM 1246 N ALA A 81 -11.987 -7.862 2.122 1.00 0.00 N ATOM 1247 CA ALA A 81 -12.852 -6.789 1.660 1.00 0.00 C ATOM 1248 C ALA A 81 -14.295 -7.092 2.069 1.00 0.00 C ATOM 1249 O ALA A 81 -14.920 -6.305 2.778 1.00 0.00 O ATOM 1250 CB ALA A 81 -12.697 -6.625 0.147 1.00 0.00 C ATOM 0 H ALA A 81 -11.431 -8.307 1.392 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.570 -5.842 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -13.345 -5.821 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.661 -6.383 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.974 -7.555 -0.350 1.00 0.00 H new ATOM 1256 N ARG A 82 -14.781 -8.233 1.604 1.00 0.00 N ATOM 1257 CA ARG A 82 -16.139 -8.649 1.913 1.00 0.00 C ATOM 1258 C ARG A 82 -16.327 -8.767 3.426 1.00 0.00 C ATOM 1259 O ARG A 82 -17.316 -8.281 3.972 1.00 0.00 O ATOM 1260 CB ARG A 82 -16.465 -9.993 1.259 1.00 0.00 C ATOM 1261 CG ARG A 82 -17.911 -10.405 1.544 1.00 0.00 C ATOM 1262 CD ARG A 82 -18.104 -11.908 1.337 1.00 0.00 C ATOM 1263 NE ARG A 82 -19.417 -12.168 0.706 1.00 0.00 N ATOM 1264 CZ ARG A 82 -19.730 -11.821 -0.561 1.00 0.00 C ATOM 1265 NH1 ARG A 82 -18.825 -11.197 -1.344 1.00 0.00 N ATOM 1266 NH2 ARG A 82 -20.935 -12.102 -1.022 1.00 0.00 N ATOM 0 H ARG A 82 -14.259 -8.883 1.016 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.816 -7.892 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.308 -9.925 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.785 -10.758 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.174 -10.139 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.586 -9.854 0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.305 -12.302 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.042 -12.426 2.294 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.130 -12.639 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.896 -10.984 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.070 -10.938 -2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.613 -12.574 -0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.188 -11.847 -1.977 1.00 0.00 H new ATOM 1279 N ASP A 83 -15.362 -9.415 4.062 1.00 0.00 N ATOM 1280 CA ASP A 83 -15.408 -9.602 5.502 1.00 0.00 C ATOM 1281 C ASP A 83 -15.505 -8.238 6.187 1.00 0.00 C ATOM 1282 O ASP A 83 -16.282 -8.063 7.124 1.00 0.00 O ATOM 1283 CB ASP A 83 -14.143 -10.297 6.008 1.00 0.00 C ATOM 1284 CG ASP A 83 -14.190 -11.826 5.984 1.00 0.00 C ATOM 1285 OD1 ASP A 83 -13.418 -12.478 5.265 1.00 0.00 O ATOM 1286 OD2 ASP A 83 -15.079 -12.356 6.755 1.00 0.00 O ATOM 0 H ASP A 83 -14.543 -9.817 3.606 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.276 -10.220 5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.298 -9.965 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.952 -9.971 7.030 1.00 0.00 H new ATOM 1292 N ARG A 84 -14.704 -7.305 5.693 1.00 0.00 N ATOM 1293 CA ARG A 84 -14.689 -5.961 6.245 1.00 0.00 C ATOM 1294 C ARG A 84 -15.938 -5.193 5.807 1.00 0.00 C ATOM 1295 O ARG A 84 -16.384 -4.280 6.499 1.00 0.00 O ATOM 1296 CB ARG A 84 -13.443 -5.195 5.797 1.00 0.00 C ATOM 1297 CG ARG A 84 -12.907 -4.312 6.926 1.00 0.00 C ATOM 1298 CD ARG A 84 -11.446 -4.647 7.236 1.00 0.00 C ATOM 1299 NE ARG A 84 -10.730 -3.428 7.675 1.00 0.00 N ATOM 1300 CZ ARG A 84 -9.406 -3.227 7.508 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -8.641 -4.164 6.909 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -8.870 -2.100 7.939 1.00 0.00 N ATOM 0 H ARG A 84 -14.060 -7.454 4.916 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.675 -6.049 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.672 -5.899 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.683 -4.578 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.991 -3.263 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -13.514 -4.451 7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.396 -5.408 8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.964 -5.063 6.351 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.271 -2.694 8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.063 -5.032 6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.641 -4.004 6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.455 -1.397 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.871 -1.932 7.821 1.00 0.00 H new ATOM 1315 N LYS A 85 -16.466 -5.593 4.659 1.00 0.00 N ATOM 1316 CA LYS A 85 -17.654 -4.953 4.120 1.00 0.00 C ATOM 1317 C LYS A 85 -18.899 -5.603 4.729 1.00 0.00 C ATOM 1318 O LYS A 85 -19.993 -5.046 4.656 1.00 0.00 O ATOM 1319 CB LYS A 85 -17.631 -4.982 2.591 1.00 0.00 C ATOM 1320 CG LYS A 85 -17.182 -3.634 2.023 1.00 0.00 C ATOM 1321 CD LYS A 85 -15.907 -3.787 1.191 1.00 0.00 C ATOM 1322 CE LYS A 85 -16.225 -4.320 -0.207 1.00 0.00 C ATOM 1323 NZ LYS A 85 -16.991 -3.319 -0.982 1.00 0.00 N ATOM 0 H LYS A 85 -16.093 -6.352 4.088 1.00 0.00 H new ATOM 0 HA LYS A 85 -17.677 -3.899 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.957 -5.767 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.624 -5.227 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.975 -3.213 1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.007 -2.932 2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.403 -2.824 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.219 -4.466 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.299 -4.562 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.798 -5.244 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.869 -3.499 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.999 -3.388 -0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.644 -2.365 -0.756 1.00 0.00 H new ATOM 1336 N LEU A 86 -18.689 -6.772 5.316 1.00 0.00 N ATOM 1337 CA LEU A 86 -19.781 -7.503 5.937 1.00 0.00 C ATOM 1338 C LEU A 86 -20.120 -6.859 7.282 1.00 0.00 C ATOM 1339 O LEU A 86 -19.734 -5.721 7.545 1.00 0.00 O ATOM 1340 CB LEU A 86 -19.440 -8.991 6.037 1.00 0.00 C ATOM 1341 CG LEU A 86 -20.150 -9.911 5.041 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -20.018 -11.377 5.457 1.00 0.00 C ATOM 1343 CD2 LEU A 86 -21.611 -9.496 4.857 1.00 0.00 C ATOM 0 H LEU A 86 -17.780 -7.231 5.375 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.678 -7.445 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.364 -9.106 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -19.675 -9.330 7.046 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.661 -9.807 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -20.531 -12.009 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -18.964 -11.651 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.465 -11.518 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -22.093 -10.166 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -22.129 -9.552 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -21.654 -8.474 4.481 1.00 0.00 H new