USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 669 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: C 59 ASN : amide:sc= -0.258 K(o=-0.26,f=-3.9!) USER MOD Set 1.2: C 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: C 77 ASN : amide:sc= -5.42! K(o=-17!,f=-9) USER MOD Set 2.2: C 80 ASN : amide:sc= -11.6! C(o=-17!,f=-13!) USER MOD Set 3.1: C 71 THR OG1 : rot 32:sc= 1.14 USER MOD Set 3.2: C 74 ASN : amide:sc= 1.19 X(o=2.3,f=2.2) USER MOD Set 4.1: C 26 LYS NZ :NH3+ 144:sc= 1.51 (180deg=1.16) USER MOD Set 4.2: C 42 ASN : amide:sc= 0.937 K(o=2.4,f=-8.9!) USER MOD Single : C 9 GLN : amide:sc= -1.55 K(o=-1.5,f=-4.4!) USER MOD Single : C 10 MET CE :methyl 164:sc= -0.0663 (180deg=-0.386) USER MOD Single : C 11 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.1) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= -0.528 K(o=-0.53,f=-5.2!) USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= 0.403 K(o=0.4,f=-5.2!) USER MOD Single : C 19 LYS NZ :NH3+ 151:sc= -0.165 (180deg=-0.662) USER MOD Single : C 21 ASN : amide:sc= 0.416 K(o=0.42,f=-1) USER MOD Single : C 22 LYS NZ :NH3+ -144:sc= -0.857 (180deg=-3.93!) USER MOD Single : C 24 LYS NZ :NH3+ 155:sc= -0.108 (180deg=-0.575) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= -0.12 USER MOD Single : C 31 MET CE :methyl -145:sc= -1.52 (180deg=-5.45!) USER MOD Single : C 32 ASN : amide:sc= 0 X(o=0,f=0.0089) USER MOD Single : C 34 ASN : amide:sc= -0.729! X(o=-0.73!,f=-0.47) USER MOD Single : C 35 GLN : amide:sc= -0.75 K(o=-0.75,f=-3.9!) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : C 40 SER OG : rot 31:sc= -0.623 USER MOD Single : C 41 SER OG : rot 180:sc= 0.161 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 140:sc= 0.196 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 170:sc= -0.0173 (180deg=-0.137) USER MOD Single : C 53 ASN : amide:sc= -2.78! K(o=-2.8!,f=-0.36) USER MOD Single : C 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 160:sc= -0.0082 USER MOD Single : C 67 ASN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : C 69 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0187) USER MOD Single : C 70 SER OG : rot 180:sc= 0 USER MOD Single : C 76 SER OG : rot -82:sc= 1.15 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN : amide:sc= -3.03! K(o=-3!,f=-1.2) USER MOD Single : C 85 LYS NZ :NH3+ 174:sc= 1.1 (180deg=1.07) USER MOD Single : C 92 LYS NZ :NH3+ -161:sc= -0.371 (180deg=-1.49!) USER MOD Single : C 93 GLN : amide:sc= -0.33 K(o=-0.33,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -12.556 -4.231 0.620 1.00 0.00 N ATOM 126 CA GLN C 9 -11.252 -4.313 1.272 1.00 0.00 C ATOM 127 C GLN C 9 -10.737 -5.750 1.295 1.00 0.00 C ATOM 128 O GLN C 9 -9.875 -6.093 2.102 1.00 0.00 O ATOM 129 CB GLN C 9 -11.368 -3.774 2.694 1.00 0.00 C ATOM 130 CG GLN C 9 -11.803 -2.321 2.745 1.00 0.00 C ATOM 131 CD GLN C 9 -12.534 -1.982 4.023 1.00 0.00 C ATOM 132 OE1 GLN C 9 -11.929 -1.591 5.020 1.00 0.00 O ATOM 133 NE2 GLN C 9 -13.848 -2.122 3.997 1.00 0.00 N ATOM 0 HA GLN C 9 -10.539 -3.713 0.707 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.083 -4.381 3.249 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.406 -3.877 3.195 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -10.927 -1.679 2.650 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -12.449 -2.108 1.893 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -14.309 -2.449 3.148 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -14.401 -1.903 4.826 1.00 0.00 H new ATOM 142 N MET C 10 -11.295 -6.584 0.420 1.00 0.00 N ATOM 143 CA MET C 10 -11.072 -8.033 0.463 1.00 0.00 C ATOM 144 C MET C 10 -9.665 -8.441 -0.001 1.00 0.00 C ATOM 145 O MET C 10 -8.694 -7.710 0.205 1.00 0.00 O ATOM 146 CB MET C 10 -12.128 -8.741 -0.391 1.00 0.00 C ATOM 147 CG MET C 10 -13.548 -8.541 0.106 1.00 0.00 C ATOM 148 SD MET C 10 -14.777 -9.278 -0.987 1.00 0.00 S ATOM 149 CE MET C 10 -14.375 -11.018 -0.845 1.00 0.00 C ATOM 0 H MET C 10 -11.910 -6.280 -0.335 1.00 0.00 H new ATOM 0 HA MET C 10 -11.159 -8.338 1.506 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.057 -8.378 -1.416 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.908 -9.808 -0.415 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.645 -8.976 1.101 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.748 -7.474 0.204 1.00 0.00 H new ATOM 0 HE1 MET C 10 -15.204 -11.615 -1.225 1.00 0.00 H new ATOM 0 HE2 MET C 10 -13.477 -11.233 -1.425 1.00 0.00 H new ATOM 0 HE3 MET C 10 -14.199 -11.266 0.202 1.00 0.00 H new ATOM 159 N ASN C 11 -9.568 -9.603 -0.649 1.00 0.00 N ATOM 160 CA ASN C 11 -8.277 -10.206 -0.993 1.00 0.00 C ATOM 161 C ASN C 11 -7.430 -9.312 -1.894 1.00 0.00 C ATOM 162 O ASN C 11 -6.222 -9.524 -2.017 1.00 0.00 O ATOM 163 CB ASN C 11 -8.480 -11.566 -1.666 1.00 0.00 C ATOM 164 CG ASN C 11 -8.999 -12.616 -0.704 1.00 0.00 C ATOM 165 OD1 ASN C 11 -8.722 -12.567 0.494 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.743 -13.580 -1.219 1.00 0.00 N ATOM 0 H ASN C 11 -10.375 -10.150 -0.949 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.737 -10.334 -0.055 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.181 -11.458 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.534 -11.903 -2.091 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -10.109 -14.318 -0.618 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -9.951 -13.586 -2.218 1.00 0.00 H new ATOM 173 N SER C 12 -8.063 -8.318 -2.510 1.00 0.00 N ATOM 174 CA SER C 12 -7.372 -7.371 -3.377 1.00 0.00 C ATOM 175 C SER C 12 -6.083 -6.862 -2.729 1.00 0.00 C ATOM 176 O SER C 12 -5.015 -6.905 -3.341 1.00 0.00 O ATOM 177 CB SER C 12 -8.297 -6.194 -3.707 1.00 0.00 C ATOM 178 OG SER C 12 -7.693 -5.307 -4.634 1.00 0.00 O ATOM 0 H SER C 12 -9.065 -8.147 -2.423 1.00 0.00 H new ATOM 0 HA SER C 12 -7.103 -7.888 -4.298 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.234 -6.570 -4.118 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.543 -5.655 -2.792 1.00 0.00 H new ATOM 0 HG SER C 12 -8.307 -4.567 -4.827 1.00 0.00 H new ATOM 184 N ILE C 13 -6.175 -6.395 -1.488 1.00 0.00 N ATOM 185 CA ILE C 13 -4.994 -5.899 -0.792 1.00 0.00 C ATOM 186 C ILE C 13 -4.300 -6.992 0.013 1.00 0.00 C ATOM 187 O ILE C 13 -3.123 -6.872 0.319 1.00 0.00 O ATOM 188 CB ILE C 13 -5.288 -4.676 0.111 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.527 -4.892 0.988 1.00 0.00 C ATOM 190 CG2 ILE C 13 -5.443 -3.424 -0.733 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.238 -5.594 2.296 1.00 0.00 C ATOM 0 H ILE C 13 -7.041 -6.350 -0.951 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.317 -5.567 -1.579 1.00 0.00 H new ATOM 0 HB ILE C 13 -4.437 -4.551 0.781 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -6.983 -3.925 1.199 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -7.259 -5.475 0.428 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -5.649 -2.572 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -4.523 -3.243 -1.288 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.269 -3.557 -1.432 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -7.164 -5.710 2.859 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.811 -6.576 2.095 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -5.531 -5.003 2.878 1.00 0.00 H new ATOM 203 N ASN C 14 -5.019 -8.056 0.355 1.00 0.00 N ATOM 204 CA ASN C 14 -4.422 -9.172 1.100 1.00 0.00 C ATOM 205 C ASN C 14 -3.343 -9.852 0.284 1.00 0.00 C ATOM 206 O ASN C 14 -2.258 -10.138 0.785 1.00 0.00 O ATOM 207 CB ASN C 14 -5.452 -10.225 1.451 1.00 0.00 C ATOM 208 CG ASN C 14 -6.424 -9.810 2.537 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.707 -8.630 2.720 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.946 -10.786 3.264 1.00 0.00 N ATOM 0 H ASN C 14 -6.008 -8.174 0.133 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.004 -8.742 2.010 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -6.015 -10.479 0.553 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.935 -11.130 1.769 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.609 -10.569 4.008 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -6.685 -11.755 3.080 1.00 0.00 H new ATOM 217 N SER C 15 -3.660 -10.131 -0.975 1.00 0.00 N ATOM 218 CA SER C 15 -2.703 -10.730 -1.888 1.00 0.00 C ATOM 219 C SER C 15 -1.456 -9.868 -1.940 1.00 0.00 C ATOM 220 O SER C 15 -0.333 -10.369 -1.904 1.00 0.00 O ATOM 221 CB SER C 15 -3.321 -10.874 -3.282 1.00 0.00 C ATOM 222 OG SER C 15 -2.414 -11.480 -4.187 1.00 0.00 O ATOM 0 H SER C 15 -4.576 -9.950 -1.385 1.00 0.00 H new ATOM 0 HA SER C 15 -2.433 -11.725 -1.534 1.00 0.00 H new ATOM 0 HB2 SER C 15 -4.230 -11.472 -3.219 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.611 -9.892 -3.657 1.00 0.00 H new ATOM 0 HG SER C 15 -2.836 -11.561 -5.068 1.00 0.00 H new ATOM 228 N VAL C 16 -1.673 -8.561 -1.977 1.00 0.00 N ATOM 229 CA VAL C 16 -0.589 -7.601 -1.949 1.00 0.00 C ATOM 230 C VAL C 16 0.107 -7.617 -0.590 1.00 0.00 C ATOM 231 O VAL C 16 1.324 -7.458 -0.514 1.00 0.00 O ATOM 232 CB VAL C 16 -1.101 -6.181 -2.254 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.028 -5.169 -2.202 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.779 -6.145 -3.611 1.00 0.00 C ATOM 0 H VAL C 16 -2.602 -8.142 -2.027 1.00 0.00 H new ATOM 0 HA VAL C 16 0.127 -7.886 -2.720 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.829 -5.914 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.363 -4.176 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.474 -5.172 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.786 -5.431 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.136 -5.135 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.066 -6.439 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.623 -6.835 -3.615 1.00 0.00 H new ATOM 244 N ASN C 17 -0.656 -7.848 0.479 1.00 0.00 N ATOM 245 CA ASN C 17 -0.077 -7.885 1.823 1.00 0.00 C ATOM 246 C ASN C 17 0.927 -9.021 1.919 1.00 0.00 C ATOM 247 O ASN C 17 2.002 -8.871 2.502 1.00 0.00 O ATOM 248 CB ASN C 17 -1.159 -8.054 2.897 1.00 0.00 C ATOM 249 CG ASN C 17 -1.636 -6.736 3.488 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.093 -6.255 4.482 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.655 -6.144 2.887 1.00 0.00 N ATOM 0 H ASN C 17 -1.662 -8.010 0.443 1.00 0.00 H new ATOM 0 HA ASN C 17 0.426 -6.934 2.000 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -2.011 -8.579 2.464 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.770 -8.683 3.698 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.015 -5.260 3.246 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.081 -6.572 2.065 1.00 0.00 H new ATOM 258 N ASP C 18 0.577 -10.148 1.311 1.00 0.00 N ATOM 259 CA ASP C 18 1.449 -11.315 1.278 1.00 0.00 C ATOM 260 C ASP C 18 2.627 -11.086 0.339 1.00 0.00 C ATOM 261 O ASP C 18 3.696 -11.664 0.516 1.00 0.00 O ATOM 262 CB ASP C 18 0.682 -12.556 0.818 1.00 0.00 C ATOM 263 CG ASP C 18 -0.410 -12.977 1.778 1.00 0.00 C ATOM 264 OD1 ASP C 18 -0.113 -13.179 2.974 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.568 -13.144 1.331 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.313 -10.278 0.830 1.00 0.00 H new ATOM 0 HA ASP C 18 1.819 -11.473 2.291 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.241 -12.360 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.383 -13.381 0.692 1.00 0.00 H new ATOM 270 N LYS C 19 2.425 -10.237 -0.662 1.00 0.00 N ATOM 271 CA LYS C 19 3.454 -9.976 -1.662 1.00 0.00 C ATOM 272 C LYS C 19 4.475 -8.998 -1.117 1.00 0.00 C ATOM 273 O LYS C 19 5.659 -9.071 -1.435 1.00 0.00 O ATOM 274 CB LYS C 19 2.839 -9.406 -2.945 1.00 0.00 C ATOM 275 CG LYS C 19 1.971 -10.378 -3.733 1.00 0.00 C ATOM 276 CD LYS C 19 2.722 -11.641 -4.130 1.00 0.00 C ATOM 277 CE LYS C 19 2.464 -12.783 -3.155 1.00 0.00 C ATOM 278 NZ LYS C 19 1.026 -13.166 -3.117 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.558 -9.718 -0.803 1.00 0.00 H new ATOM 0 HA LYS C 19 3.942 -10.922 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.238 -8.535 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.644 -9.056 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS C 19 1.101 -10.649 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS C 19 1.600 -9.883 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS C 19 2.420 -11.944 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS C 19 3.791 -11.431 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS C 19 3.063 -13.648 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS C 19 2.788 -12.488 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 0.941 -14.174 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 0.533 -12.595 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 0.597 -12.997 -4.049 1.00 0.00 H new ATOM 292 N LEU C 20 3.999 -8.077 -0.305 1.00 0.00 N ATOM 293 CA LEU C 20 4.846 -7.071 0.298 1.00 0.00 C ATOM 294 C LEU C 20 5.583 -7.637 1.506 1.00 0.00 C ATOM 295 O LEU C 20 6.756 -7.340 1.724 1.00 0.00 O ATOM 296 CB LEU C 20 3.995 -5.866 0.679 1.00 0.00 C ATOM 297 CG LEU C 20 3.397 -5.113 -0.515 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.508 -3.978 -0.048 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.504 -4.585 -1.412 1.00 0.00 C ATOM 0 H LEU C 20 3.015 -8.005 -0.045 1.00 0.00 H new ATOM 0 HA LEU C 20 5.603 -6.755 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.184 -6.199 1.327 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.605 -5.175 1.261 1.00 0.00 H new ATOM 0 HG LEU C 20 2.784 -5.810 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.096 -3.459 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.694 -4.378 0.557 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.094 -3.279 0.549 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.066 -4.052 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.139 -3.905 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.102 -5.418 -1.780 1.00 0.00 H new ATOM 311 N ASN C 21 4.898 -8.463 2.283 1.00 0.00 N ATOM 312 CA ASN C 21 5.531 -9.164 3.394 1.00 0.00 C ATOM 313 C ASN C 21 6.304 -10.369 2.864 1.00 0.00 C ATOM 314 O ASN C 21 5.906 -11.520 3.050 1.00 0.00 O ATOM 315 CB ASN C 21 4.488 -9.588 4.437 1.00 0.00 C ATOM 316 CG ASN C 21 4.061 -8.439 5.338 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.658 -8.210 6.390 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.020 -7.712 4.949 1.00 0.00 N ATOM 0 H ASN C 21 3.905 -8.665 2.166 1.00 0.00 H new ATOM 0 HA ASN C 21 6.231 -8.490 3.889 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.612 -9.990 3.927 1.00 0.00 H new ATOM 0 HB3 ASN C 21 4.897 -10.392 5.049 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.694 -6.938 5.528 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.547 -7.928 4.071 1.00 0.00 H new ATOM 325 N LYS C 22 7.415 -10.082 2.194 1.00 0.00 N ATOM 326 CA LYS C 22 8.170 -11.094 1.463 1.00 0.00 C ATOM 327 C LYS C 22 9.556 -11.357 2.057 1.00 0.00 C ATOM 328 O LYS C 22 10.206 -12.345 1.710 1.00 0.00 O ATOM 329 CB LYS C 22 8.302 -10.665 -0.007 1.00 0.00 C ATOM 330 CG LYS C 22 8.622 -9.180 -0.217 1.00 0.00 C ATOM 331 CD LYS C 22 10.008 -8.799 0.288 1.00 0.00 C ATOM 332 CE LYS C 22 10.381 -7.371 -0.078 1.00 0.00 C ATOM 333 NZ LYS C 22 10.259 -7.141 -1.542 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.816 -9.146 2.142 1.00 0.00 H new ATOM 0 HA LYS C 22 7.616 -12.030 1.542 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.085 -11.261 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.371 -10.898 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.549 -8.944 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.874 -8.575 0.296 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.043 -8.915 1.371 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.746 -9.484 -0.130 1.00 0.00 H new ATOM 0 HE2 LYS C 22 9.735 -6.675 0.457 1.00 0.00 H new ATOM 0 HE3 LYS C 22 11.403 -7.166 0.241 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 11.013 -6.497 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 10.346 -8.048 -2.044 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 9.333 -6.717 -1.751 1.00 0.00 H new ATOM 347 N GLY C 23 10.004 -10.479 2.940 1.00 0.00 N ATOM 348 CA GLY C 23 11.352 -10.574 3.471 1.00 0.00 C ATOM 349 C GLY C 23 11.927 -9.203 3.736 1.00 0.00 C ATOM 350 O GLY C 23 12.035 -8.784 4.884 1.00 0.00 O ATOM 0 H GLY C 23 9.457 -9.698 3.302 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.343 -11.153 4.394 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.988 -11.109 2.765 1.00 0.00 H new ATOM 354 N LYS C 24 12.280 -8.493 2.667 1.00 0.00 N ATOM 355 CA LYS C 24 12.661 -7.087 2.770 1.00 0.00 C ATOM 356 C LYS C 24 11.430 -6.242 3.053 1.00 0.00 C ATOM 357 O LYS C 24 10.410 -6.764 3.491 1.00 0.00 O ATOM 358 CB LYS C 24 13.341 -6.593 1.487 1.00 0.00 C ATOM 359 CG LYS C 24 14.760 -6.098 1.706 1.00 0.00 C ATOM 360 CD LYS C 24 15.409 -5.695 0.399 1.00 0.00 C ATOM 361 CE LYS C 24 16.926 -5.711 0.494 1.00 0.00 C ATOM 362 NZ LYS C 24 17.453 -7.079 0.749 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.310 -8.869 1.719 1.00 0.00 H new ATOM 0 HA LYS C 24 13.374 -6.991 3.589 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.356 -7.403 0.758 1.00 0.00 H new ATOM 0 HB3 LYS C 24 12.746 -5.788 1.057 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.750 -5.247 2.387 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.351 -6.880 2.182 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.087 -6.373 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.073 -4.697 0.119 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.352 -5.325 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS C 24 17.246 -5.044 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.430 -7.146 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.438 -7.272 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 16.860 -7.777 0.256 1.00 0.00 H new ATOM 376 N GLY C 25 11.530 -4.953 2.766 1.00 0.00 N ATOM 377 CA GLY C 25 10.476 -4.008 3.110 1.00 0.00 C ATOM 378 C GLY C 25 9.071 -4.492 2.832 1.00 0.00 C ATOM 379 O GLY C 25 8.767 -4.974 1.741 1.00 0.00 O ATOM 0 H GLY C 25 12.332 -4.536 2.294 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.558 -3.765 4.169 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.642 -3.084 2.557 1.00 0.00 H new ATOM 383 N LYS C 26 8.219 -4.348 3.837 1.00 0.00 N ATOM 384 CA LYS C 26 6.859 -4.855 3.776 1.00 0.00 C ATOM 385 C LYS C 26 5.860 -3.794 4.225 1.00 0.00 C ATOM 386 O LYS C 26 6.142 -3.019 5.138 1.00 0.00 O ATOM 387 CB LYS C 26 6.756 -6.093 4.665 1.00 0.00 C ATOM 388 CG LYS C 26 7.238 -5.852 6.088 1.00 0.00 C ATOM 389 CD LYS C 26 7.874 -7.095 6.689 1.00 0.00 C ATOM 390 CE LYS C 26 9.122 -7.493 5.926 1.00 0.00 C ATOM 391 NZ LYS C 26 9.961 -8.452 6.690 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.451 -3.879 4.712 1.00 0.00 H new ATOM 0 HA LYS C 26 6.619 -5.118 2.746 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.719 -6.428 4.692 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.340 -6.900 4.222 1.00 0.00 H new ATOM 0 HG2 LYS C 26 7.960 -5.036 6.093 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.398 -5.538 6.708 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.126 -6.910 7.733 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.158 -7.917 6.675 1.00 0.00 H new ATOM 0 HE2 LYS C 26 8.837 -7.940 4.973 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.707 -6.602 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.394 -9.133 6.034 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.708 -7.934 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.369 -8.961 7.377 1.00 0.00 H new ATOM 405 N LEU C 27 4.704 -3.758 3.572 1.00 0.00 N ATOM 406 CA LEU C 27 3.639 -2.839 3.951 1.00 0.00 C ATOM 407 C LEU C 27 2.408 -3.625 4.381 1.00 0.00 C ATOM 408 O LEU C 27 1.922 -4.483 3.644 1.00 0.00 O ATOM 409 CB LEU C 27 3.245 -1.894 2.800 1.00 0.00 C ATOM 410 CG LEU C 27 4.366 -1.037 2.205 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.223 -1.847 1.244 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.783 0.178 1.499 1.00 0.00 C ATOM 0 H LEU C 27 4.481 -4.356 2.776 1.00 0.00 H new ATOM 0 HA LEU C 27 4.017 -2.233 4.774 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.812 -2.494 1.999 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.460 -1.228 3.159 1.00 0.00 H new ATOM 0 HG LEU C 27 5.003 -0.698 3.022 1.00 0.00 H new ATOM 0 HD11 LEU C 27 6.011 -1.213 0.837 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.671 -2.687 1.775 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.602 -2.222 0.430 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.591 0.778 1.081 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.122 -0.150 0.697 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.218 0.777 2.213 1.00 0.00 H new ATOM 424 N SER C 28 1.923 -3.345 5.576 1.00 0.00 N ATOM 425 CA SER C 28 0.701 -3.960 6.065 1.00 0.00 C ATOM 426 C SER C 28 -0.488 -3.039 5.782 1.00 0.00 C ATOM 427 O SER C 28 -0.715 -2.066 6.498 1.00 0.00 O ATOM 428 CB SER C 28 0.822 -4.230 7.563 1.00 0.00 C ATOM 429 OG SER C 28 1.947 -5.051 7.838 1.00 0.00 O ATOM 0 H SER C 28 2.358 -2.693 6.229 1.00 0.00 H new ATOM 0 HA SER C 28 0.541 -4.908 5.551 1.00 0.00 H new ATOM 0 HB2 SER C 28 0.915 -3.286 8.101 1.00 0.00 H new ATOM 0 HB3 SER C 28 -0.085 -4.715 7.924 1.00 0.00 H new ATOM 0 HG SER C 28 2.007 -5.211 8.803 1.00 0.00 H new ATOM 435 N LEU C 29 -1.241 -3.356 4.738 1.00 0.00 N ATOM 436 CA LEU C 29 -2.297 -2.471 4.242 1.00 0.00 C ATOM 437 C LEU C 29 -3.636 -2.797 4.866 1.00 0.00 C ATOM 438 O LEU C 29 -4.054 -3.955 4.879 1.00 0.00 O ATOM 439 CB LEU C 29 -2.405 -2.599 2.721 1.00 0.00 C ATOM 440 CG LEU C 29 -1.073 -2.638 1.971 1.00 0.00 C ATOM 441 CD1 LEU C 29 -1.310 -2.870 0.490 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.289 -1.353 2.192 1.00 0.00 C ATOM 0 H LEU C 29 -1.142 -4.224 4.212 1.00 0.00 H new ATOM 0 HA LEU C 29 -2.032 -1.450 4.516 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.961 -3.507 2.488 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -2.991 -1.761 2.343 1.00 0.00 H new ATOM 0 HG LEU C 29 -0.482 -3.466 2.363 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.353 -2.896 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -1.826 -3.820 0.348 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -1.921 -2.062 0.088 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.655 -1.404 1.649 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -0.870 -0.505 1.830 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.089 -1.227 3.256 1.00 0.00 H new ATOM 454 N SER C 30 -4.305 -1.776 5.394 1.00 0.00 N ATOM 455 CA SER C 30 -5.649 -1.950 5.905 1.00 0.00 C ATOM 456 C SER C 30 -6.460 -0.655 5.798 1.00 0.00 C ATOM 457 O SER C 30 -5.920 0.442 5.966 1.00 0.00 O ATOM 458 CB SER C 30 -5.610 -2.420 7.363 1.00 0.00 C ATOM 459 OG SER C 30 -4.803 -3.577 7.509 1.00 0.00 O ATOM 0 H SER C 30 -3.937 -0.828 5.476 1.00 0.00 H new ATOM 0 HA SER C 30 -6.138 -2.710 5.295 1.00 0.00 H new ATOM 0 HB2 SER C 30 -5.222 -1.621 7.995 1.00 0.00 H new ATOM 0 HB3 SER C 30 -6.622 -2.634 7.706 1.00 0.00 H new ATOM 0 HG SER C 30 -4.795 -3.854 8.449 1.00 0.00 H new ATOM 465 N MET C 31 -7.753 -0.787 5.518 1.00 0.00 N ATOM 466 CA MET C 31 -8.644 0.368 5.433 1.00 0.00 C ATOM 467 C MET C 31 -9.535 0.440 6.665 1.00 0.00 C ATOM 468 O MET C 31 -9.918 -0.586 7.227 1.00 0.00 O ATOM 469 CB MET C 31 -9.547 0.303 4.197 1.00 0.00 C ATOM 470 CG MET C 31 -8.821 0.240 2.865 1.00 0.00 C ATOM 471 SD MET C 31 -8.159 -1.396 2.501 1.00 0.00 S ATOM 472 CE MET C 31 -7.631 -1.155 0.810 1.00 0.00 C ATOM 0 H MET C 31 -8.209 -1.683 5.346 1.00 0.00 H new ATOM 0 HA MET C 31 -8.009 1.251 5.365 1.00 0.00 H new ATOM 0 HB2 MET C 31 -10.190 -0.573 4.283 1.00 0.00 H new ATOM 0 HB3 MET C 31 -10.198 1.178 4.196 1.00 0.00 H new ATOM 0 HG2 MET C 31 -9.506 0.534 2.070 1.00 0.00 H new ATOM 0 HG3 MET C 31 -8.006 0.964 2.867 1.00 0.00 H new ATOM 0 HE1 MET C 31 -7.785 -2.075 0.246 1.00 0.00 H new ATOM 0 HE2 MET C 31 -8.212 -0.351 0.358 1.00 0.00 H new ATOM 0 HE3 MET C 31 -6.573 -0.892 0.793 1.00 0.00 H new ATOM 482 N ASN C 32 -9.855 1.651 7.090 1.00 0.00 N ATOM 483 CA ASN C 32 -10.805 1.843 8.175 1.00 0.00 C ATOM 484 C ASN C 32 -11.582 3.138 7.972 1.00 0.00 C ATOM 485 O ASN C 32 -11.175 4.196 8.448 1.00 0.00 O ATOM 486 CB ASN C 32 -10.080 1.861 9.524 1.00 0.00 C ATOM 487 CG ASN C 32 -11.036 1.943 10.699 1.00 0.00 C ATOM 488 OD1 ASN C 32 -11.373 3.031 11.170 1.00 0.00 O ATOM 489 ND2 ASN C 32 -11.480 0.795 11.182 1.00 0.00 N ATOM 0 H ASN C 32 -9.473 2.514 6.702 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.508 1.010 8.173 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.472 0.961 9.617 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -9.399 2.711 9.555 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -12.125 0.790 11.972 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -11.178 -0.085 10.764 1.00 0.00 H new ATOM 496 N GLY C 33 -12.704 3.037 7.265 1.00 0.00 N ATOM 497 CA GLY C 33 -13.542 4.194 6.997 1.00 0.00 C ATOM 498 C GLY C 33 -12.804 5.308 6.265 1.00 0.00 C ATOM 499 O GLY C 33 -12.589 5.226 5.056 1.00 0.00 O ATOM 0 H GLY C 33 -13.051 2.164 6.869 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.401 3.883 6.402 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.930 4.581 7.939 1.00 0.00 H new ATOM 503 N ASN C 34 -12.397 6.339 6.999 1.00 0.00 N ATOM 504 CA ASN C 34 -11.694 7.480 6.422 1.00 0.00 C ATOM 505 C ASN C 34 -10.197 7.340 6.692 1.00 0.00 C ATOM 506 O ASN C 34 -9.488 8.316 6.922 1.00 0.00 O ATOM 507 CB ASN C 34 -12.235 8.792 7.008 1.00 0.00 C ATOM 508 CG ASN C 34 -11.936 10.019 6.151 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.730 10.957 6.105 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.792 10.041 5.488 1.00 0.00 N ATOM 0 H ASN C 34 -12.544 6.407 8.006 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.859 7.502 5.345 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.314 8.704 7.136 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -11.807 8.940 8.000 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.548 10.851 4.919 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.154 9.248 5.546 1.00 0.00 H new ATOM 517 N GLN C 35 -9.722 6.113 6.695 1.00 0.00 N ATOM 518 CA GLN C 35 -8.335 5.849 7.009 1.00 0.00 C ATOM 519 C GLN C 35 -7.751 4.755 6.134 1.00 0.00 C ATOM 520 O GLN C 35 -8.403 3.751 5.841 1.00 0.00 O ATOM 521 CB GLN C 35 -8.181 5.445 8.471 1.00 0.00 C ATOM 522 CG GLN C 35 -6.767 5.013 8.821 1.00 0.00 C ATOM 523 CD GLN C 35 -6.657 4.451 10.225 1.00 0.00 C ATOM 524 OE1 GLN C 35 -7.599 3.854 10.742 1.00 0.00 O ATOM 525 NE2 GLN C 35 -5.508 4.635 10.852 1.00 0.00 N ATOM 0 H GLN C 35 -10.276 5.283 6.484 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.790 6.774 6.819 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.467 6.284 9.106 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.869 4.629 8.691 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.434 4.261 8.106 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.096 5.866 8.722 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -4.749 5.136 10.390 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -5.380 4.276 11.798 1.00 0.00 H new ATOM 534 N LEU C 36 -6.514 4.971 5.725 1.00 0.00 N ATOM 535 CA LEU C 36 -5.700 3.939 5.120 1.00 0.00 C ATOM 536 C LEU C 36 -4.445 3.808 5.965 1.00 0.00 C ATOM 537 O LEU C 36 -3.577 4.679 5.933 1.00 0.00 O ATOM 538 CB LEU C 36 -5.348 4.308 3.669 1.00 0.00 C ATOM 539 CG LEU C 36 -4.771 3.185 2.780 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.395 2.735 3.251 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.723 2.003 2.720 1.00 0.00 C ATOM 0 H LEU C 36 -6.046 5.874 5.805 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.238 2.992 5.086 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.249 4.691 3.189 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.627 5.125 3.693 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.656 3.596 1.777 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -3.027 1.944 2.597 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.706 3.579 3.222 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.465 2.359 4.272 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -5.296 1.224 2.088 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.879 1.610 3.725 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.677 2.325 2.304 1.00 0.00 H new ATOM 553 N LYS C 37 -4.368 2.748 6.747 1.00 0.00 N ATOM 554 CA LYS C 37 -3.229 2.546 7.621 1.00 0.00 C ATOM 555 C LYS C 37 -2.359 1.445 7.051 1.00 0.00 C ATOM 556 O LYS C 37 -2.845 0.382 6.653 1.00 0.00 O ATOM 557 CB LYS C 37 -3.674 2.213 9.052 1.00 0.00 C ATOM 558 CG LYS C 37 -4.502 0.944 9.180 1.00 0.00 C ATOM 559 CD LYS C 37 -4.855 0.665 10.632 1.00 0.00 C ATOM 560 CE LYS C 37 -5.616 -0.641 10.786 1.00 0.00 C ATOM 561 NZ LYS C 37 -5.943 -0.925 12.209 1.00 0.00 N1+ ATOM 0 H LYS C 37 -5.077 2.017 6.795 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.653 3.470 7.675 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.789 2.118 9.681 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.254 3.050 9.442 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.415 1.041 8.593 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.947 0.101 8.769 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.943 0.627 11.227 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.457 1.485 11.024 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.536 -0.596 10.203 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -5.021 -1.459 10.380 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -6.462 -1.824 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -5.064 -0.993 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -6.532 -0.157 12.590 1.00 0.00 H new ATOM 575 N ALA C 38 -1.083 1.723 6.987 1.00 0.00 N ATOM 576 CA ALA C 38 -0.128 0.806 6.418 1.00 0.00 C ATOM 577 C ALA C 38 1.202 0.983 7.106 1.00 0.00 C ATOM 578 O ALA C 38 1.797 2.055 7.046 1.00 0.00 O ATOM 579 CB ALA C 38 0.010 1.041 4.921 1.00 0.00 C ATOM 0 H ALA C 38 -0.675 2.593 7.328 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.477 -0.216 6.567 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.735 0.340 4.508 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.956 0.891 4.439 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.350 2.061 4.743 1.00 0.00 H new ATOM 585 N THR C 39 1.658 -0.059 7.760 1.00 0.00 N ATOM 586 CA THR C 39 2.911 -0.006 8.470 1.00 0.00 C ATOM 587 C THR C 39 3.990 -0.703 7.672 1.00 0.00 C ATOM 588 O THR C 39 3.706 -1.616 6.894 1.00 0.00 O ATOM 589 CB THR C 39 2.799 -0.662 9.856 1.00 0.00 C ATOM 590 OG1 THR C 39 2.366 -2.018 9.708 1.00 0.00 O ATOM 591 CG2 THR C 39 1.822 0.096 10.743 1.00 0.00 C ATOM 0 H THR C 39 1.177 -0.957 7.814 1.00 0.00 H new ATOM 0 HA THR C 39 3.171 1.044 8.605 1.00 0.00 H new ATOM 0 HB THR C 39 3.780 -0.636 10.331 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.296 -2.437 10.591 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.762 -0.390 11.717 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.167 1.122 10.870 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.836 0.099 10.278 1.00 0.00 H new ATOM 599 N SER C 40 5.214 -0.263 7.854 1.00 0.00 N ATOM 600 CA SER C 40 6.342 -0.894 7.217 1.00 0.00 C ATOM 601 C SER C 40 7.195 -1.578 8.261 1.00 0.00 C ATOM 602 O SER C 40 7.693 -0.937 9.188 1.00 0.00 O ATOM 603 CB SER C 40 7.157 0.140 6.455 1.00 0.00 C ATOM 604 OG SER C 40 7.572 1.188 7.312 1.00 0.00 O ATOM 0 H SER C 40 5.452 0.535 8.443 1.00 0.00 H new ATOM 0 HA SER C 40 5.986 -1.641 6.508 1.00 0.00 H new ATOM 0 HB2 SER C 40 8.029 -0.336 6.008 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.562 0.547 5.638 1.00 0.00 H new ATOM 0 HG SER C 40 7.699 0.838 8.219 1.00 0.00 H new ATOM 610 N SER C 41 7.343 -2.876 8.133 1.00 0.00 N ATOM 611 CA SER C 41 8.154 -3.619 9.063 1.00 0.00 C ATOM 612 C SER C 41 9.491 -3.956 8.420 1.00 0.00 C ATOM 613 O SER C 41 9.713 -3.640 7.243 1.00 0.00 O ATOM 614 CB SER C 41 7.408 -4.873 9.534 1.00 0.00 C ATOM 615 OG SER C 41 8.060 -5.491 10.630 1.00 0.00 O ATOM 0 H SER C 41 6.913 -3.436 7.396 1.00 0.00 H new ATOM 0 HA SER C 41 8.352 -3.012 9.946 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.391 -4.605 9.820 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.331 -5.582 8.710 1.00 0.00 H new ATOM 0 HG SER C 41 7.556 -6.285 10.905 1.00 0.00 H new ATOM 621 N ASN C 42 10.351 -4.604 9.205 1.00 0.00 N ATOM 622 CA ASN C 42 11.756 -4.832 8.866 1.00 0.00 C ATOM 623 C ASN C 42 12.579 -3.586 9.142 1.00 0.00 C ATOM 624 O ASN C 42 13.527 -3.283 8.422 1.00 0.00 O ATOM 625 CB ASN C 42 11.955 -5.303 7.421 1.00 0.00 C ATOM 626 CG ASN C 42 12.888 -6.491 7.337 1.00 0.00 C ATOM 627 OD1 ASN C 42 12.462 -7.636 7.453 1.00 0.00 O ATOM 628 ND2 ASN C 42 14.169 -6.227 7.136 1.00 0.00 N ATOM 0 H ASN C 42 10.087 -4.992 10.110 1.00 0.00 H new ATOM 0 HA ASN C 42 12.105 -5.642 9.507 1.00 0.00 H new ATOM 0 HB2 ASN C 42 10.990 -5.569 6.990 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.356 -4.484 6.824 1.00 0.00 H new ATOM 0 HD21 ASN C 42 14.843 -6.990 7.072 1.00 0.00 H new ATOM 0 HD22 ASN C 42 14.482 -5.261 7.045 1.00 0.00 H new ATOM 635 N ALA C 43 12.179 -2.858 10.181 1.00 0.00 N ATOM 636 CA ALA C 43 12.964 -1.752 10.730 1.00 0.00 C ATOM 637 C ALA C 43 13.256 -0.659 9.706 1.00 0.00 C ATOM 638 O ALA C 43 14.338 -0.066 9.704 1.00 0.00 O ATOM 639 CB ALA C 43 14.255 -2.285 11.326 1.00 0.00 C ATOM 0 H ALA C 43 11.298 -3.018 10.669 1.00 0.00 H new ATOM 0 HA ALA C 43 12.362 -1.286 11.510 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.836 -1.458 11.734 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.023 -2.993 12.122 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.833 -2.788 10.551 1.00 0.00 H new ATOM 645 N GLY C 44 12.290 -0.392 8.842 1.00 0.00 N ATOM 646 CA GLY C 44 12.417 0.701 7.896 1.00 0.00 C ATOM 647 C GLY C 44 13.247 0.347 6.679 1.00 0.00 C ATOM 648 O GLY C 44 13.463 1.196 5.811 1.00 0.00 O ATOM 0 H GLY C 44 11.416 -0.914 8.777 1.00 0.00 H new ATOM 0 HA2 GLY C 44 11.423 1.009 7.572 1.00 0.00 H new ATOM 0 HA3 GLY C 44 12.868 1.557 8.398 1.00 0.00 H new ATOM 652 N TYR C 45 13.722 -0.892 6.612 1.00 0.00 N ATOM 653 CA TYR C 45 14.484 -1.348 5.457 1.00 0.00 C ATOM 654 C TYR C 45 13.615 -1.336 4.213 1.00 0.00 C ATOM 655 O TYR C 45 12.458 -1.763 4.246 1.00 0.00 O ATOM 656 CB TYR C 45 15.055 -2.748 5.688 1.00 0.00 C ATOM 657 CG TYR C 45 16.361 -2.744 6.455 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.582 -2.767 5.787 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.377 -2.706 7.843 1.00 0.00 C ATOM 660 CE1 TYR C 45 18.774 -2.752 6.484 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.565 -2.692 8.542 1.00 0.00 C ATOM 662 CZ TYR C 45 18.760 -2.715 7.861 1.00 0.00 C ATOM 663 OH TYR C 45 19.945 -2.696 8.559 1.00 0.00 O ATOM 0 H TYR C 45 13.593 -1.595 7.340 1.00 0.00 H new ATOM 0 HA TYR C 45 15.318 -0.661 5.314 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.324 -3.346 6.232 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.209 -3.233 4.724 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.597 -2.797 4.708 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.443 -2.687 8.384 1.00 0.00 H new ATOM 0 HE1 TYR C 45 19.714 -2.769 5.952 1.00 0.00 H new ATOM 0 HE2 TYR C 45 17.558 -2.663 9.622 1.00 0.00 H new ATOM 0 HH TYR C 45 19.758 -2.669 9.521 1.00 0.00 H new ATOM 673 N GLY C 46 14.178 -0.824 3.127 1.00 0.00 N ATOM 674 CA GLY C 46 13.439 -0.708 1.893 1.00 0.00 C ATOM 675 C GLY C 46 13.044 -2.048 1.320 1.00 0.00 C ATOM 676 O GLY C 46 13.720 -3.054 1.531 1.00 0.00 O ATOM 0 H GLY C 46 15.139 -0.486 3.082 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.542 -0.113 2.066 1.00 0.00 H new ATOM 0 HA3 GLY C 46 14.042 -0.169 1.163 1.00 0.00 H new ATOM 680 N ILE C 47 11.932 -2.043 0.610 1.00 0.00 N ATOM 681 CA ILE C 47 11.400 -3.230 -0.033 1.00 0.00 C ATOM 682 C ILE C 47 12.407 -3.829 -0.972 1.00 0.00 C ATOM 683 O ILE C 47 12.718 -5.014 -0.918 1.00 0.00 O ATOM 684 CB ILE C 47 10.207 -2.877 -0.899 1.00 0.00 C ATOM 685 CG1 ILE C 47 9.131 -2.166 -0.087 1.00 0.00 C ATOM 686 CG2 ILE C 47 9.678 -4.123 -1.573 1.00 0.00 C ATOM 687 CD1 ILE C 47 8.159 -1.377 -0.933 1.00 0.00 C ATOM 0 H ILE C 47 11.367 -1.207 0.462 1.00 0.00 H new ATOM 0 HA ILE C 47 11.134 -3.922 0.766 1.00 0.00 H new ATOM 0 HB ILE C 47 10.524 -2.181 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.578 -2.904 0.494 1.00 0.00 H new ATOM 0 HG13 ILE C 47 9.609 -1.493 0.625 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.821 -3.864 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE C 47 10.459 -4.559 -2.196 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.373 -4.845 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE C 47 7.422 -0.898 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE C 47 8.700 -0.615 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE C 47 7.653 -2.048 -1.627 1.00 0.00 H new ATOM 699 N SER C 48 12.869 -2.997 -1.869 1.00 0.00 N ATOM 700 CA SER C 48 13.757 -3.434 -2.893 1.00 0.00 C ATOM 701 C SER C 48 14.983 -2.548 -2.895 1.00 0.00 C ATOM 702 O SER C 48 15.149 -1.687 -2.027 1.00 0.00 O ATOM 703 CB SER C 48 13.048 -3.403 -4.251 1.00 0.00 C ATOM 704 OG SER C 48 13.838 -3.990 -5.274 1.00 0.00 O ATOM 0 H SER C 48 12.637 -2.004 -1.903 1.00 0.00 H new ATOM 0 HA SER C 48 14.067 -4.461 -2.703 1.00 0.00 H new ATOM 0 HB2 SER C 48 12.098 -3.933 -4.177 1.00 0.00 H new ATOM 0 HB3 SER C 48 12.818 -2.371 -4.517 1.00 0.00 H new ATOM 0 HG SER C 48 13.265 -4.523 -5.865 1.00 0.00 H new ATOM 710 N TYR C 49 15.828 -2.756 -3.871 1.00 0.00 N ATOM 711 CA TYR C 49 17.094 -2.076 -3.924 1.00 0.00 C ATOM 712 C TYR C 49 17.298 -1.517 -5.324 1.00 0.00 C ATOM 713 O TYR C 49 18.392 -1.106 -5.708 1.00 0.00 O ATOM 714 CB TYR C 49 18.164 -3.081 -3.529 1.00 0.00 C ATOM 715 CG TYR C 49 19.385 -2.466 -2.852 1.00 0.00 C ATOM 716 CD1 TYR C 49 20.539 -2.116 -3.566 1.00 0.00 C ATOM 717 CD2 TYR C 49 19.384 -2.242 -1.477 1.00 0.00 C ATOM 718 CE1 TYR C 49 21.635 -1.570 -2.924 1.00 0.00 C ATOM 719 CE2 TYR C 49 20.479 -1.694 -0.839 1.00 0.00 C ATOM 720 CZ TYR C 49 21.599 -1.361 -1.564 1.00 0.00 C ATOM 721 OH TYR C 49 22.692 -0.817 -0.924 1.00 0.00 O ATOM 0 H TYR C 49 15.659 -3.397 -4.646 1.00 0.00 H new ATOM 0 HA TYR C 49 17.141 -1.231 -3.237 1.00 0.00 H new ATOM 0 HB2 TYR C 49 17.723 -3.818 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR C 49 18.489 -3.617 -4.421 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.573 -2.275 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR C 49 18.510 -2.502 -0.899 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.518 -1.308 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR C 49 20.456 -1.527 0.228 1.00 0.00 H new ATOM 0 HH TYR C 49 22.503 -0.734 0.034 1.00 0.00 H new ATOM 731 N GLU C 50 16.202 -1.507 -6.075 1.00 0.00 N ATOM 732 CA GLU C 50 16.170 -0.971 -7.425 1.00 0.00 C ATOM 733 C GLU C 50 14.975 -0.033 -7.557 1.00 0.00 C ATOM 734 O GLU C 50 14.049 -0.088 -6.744 1.00 0.00 O ATOM 735 CB GLU C 50 16.057 -2.110 -8.438 1.00 0.00 C ATOM 736 CG GLU C 50 17.160 -3.146 -8.309 1.00 0.00 C ATOM 737 CD GLU C 50 16.900 -4.379 -9.145 1.00 0.00 C ATOM 738 OE1 GLU C 50 17.077 -4.316 -10.378 1.00 0.00 O ATOM 739 OE2 GLU C 50 16.518 -5.422 -8.571 1.00 0.00 O1- ATOM 0 H GLU C 50 15.305 -1.875 -5.758 1.00 0.00 H new ATOM 0 HA GLU C 50 17.090 -0.421 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.092 -2.601 -8.315 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.076 -1.693 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU C 50 18.108 -2.701 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU C 50 17.261 -3.435 -7.263 1.00 0.00 H new ATOM 746 N ASP C 51 14.993 0.826 -8.564 1.00 0.00 N ATOM 747 CA ASP C 51 13.936 1.819 -8.729 1.00 0.00 C ATOM 748 C ASP C 51 12.720 1.222 -9.426 1.00 0.00 C ATOM 749 O ASP C 51 12.643 1.195 -10.654 1.00 0.00 O ATOM 750 CB ASP C 51 14.449 3.028 -9.512 1.00 0.00 C ATOM 751 CG ASP C 51 13.459 4.179 -9.514 1.00 0.00 C ATOM 752 OD1 ASP C 51 12.697 4.319 -10.498 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.441 4.950 -8.529 1.00 0.00 O1- ATOM 0 H ASP C 51 15.722 0.858 -9.277 1.00 0.00 H new ATOM 0 HA ASP C 51 13.632 2.146 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP C 51 15.392 3.364 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.658 2.730 -10.540 1.00 0.00 H new ATOM 758 N LYS C 52 11.785 0.722 -8.633 1.00 0.00 N ATOM 759 CA LYS C 52 10.517 0.225 -9.153 1.00 0.00 C ATOM 760 C LYS C 52 9.460 1.309 -9.095 1.00 0.00 C ATOM 761 O LYS C 52 9.435 2.097 -8.148 1.00 0.00 O ATOM 762 CB LYS C 52 10.004 -0.963 -8.343 1.00 0.00 C ATOM 763 CG LYS C 52 10.650 -2.298 -8.660 1.00 0.00 C ATOM 764 CD LYS C 52 12.085 -2.383 -8.172 1.00 0.00 C ATOM 765 CE LYS C 52 12.664 -3.767 -8.412 1.00 0.00 C ATOM 766 NZ LYS C 52 12.710 -4.112 -9.858 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.880 0.649 -7.620 1.00 0.00 H new ATOM 0 HA LYS C 52 10.699 -0.084 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.152 -0.750 -7.284 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.929 -1.052 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.067 -3.097 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS C 52 10.626 -2.462 -9.737 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.692 -1.638 -8.686 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.125 -2.148 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS C 52 13.670 -3.815 -7.996 1.00 0.00 H new ATOM 0 HE3 LYS C 52 12.064 -4.507 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 13.262 -4.984 -9.990 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 11.743 -4.258 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 13.158 -3.336 -10.386 1.00 0.00 H new ATOM 780 N ASN C 53 8.581 1.324 -10.086 1.00 0.00 N ATOM 781 CA ASN C 53 7.453 2.249 -10.098 1.00 0.00 C ATOM 782 C ASN C 53 6.258 1.633 -9.396 1.00 0.00 C ATOM 783 O ASN C 53 5.572 0.770 -9.940 1.00 0.00 O ATOM 784 CB ASN C 53 7.068 2.680 -11.524 1.00 0.00 C ATOM 785 CG ASN C 53 7.288 1.606 -12.574 1.00 0.00 C ATOM 786 OD1 ASN C 53 8.367 1.511 -13.157 1.00 0.00 O ATOM 787 ND2 ASN C 53 6.272 0.807 -12.840 1.00 0.00 N ATOM 0 H ASN C 53 8.626 0.705 -10.895 1.00 0.00 H new ATOM 0 HA ASN C 53 7.765 3.145 -9.561 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.018 2.973 -11.533 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.648 3.563 -11.795 1.00 0.00 H new ATOM 0 HD21 ASN C 53 6.367 0.081 -13.550 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.392 0.916 -12.336 1.00 0.00 H new ATOM 794 N TRP C 54 6.042 2.061 -8.170 1.00 0.00 N ATOM 795 CA TRP C 54 4.939 1.584 -7.363 1.00 0.00 C ATOM 796 C TRP C 54 3.833 2.619 -7.265 1.00 0.00 C ATOM 797 O TRP C 54 4.093 3.803 -7.453 1.00 0.00 O ATOM 798 CB TRP C 54 5.444 1.320 -5.975 1.00 0.00 C ATOM 799 CG TRP C 54 5.178 -0.055 -5.525 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.996 -1.130 -5.589 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.978 -0.483 -4.951 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.358 -2.228 -5.048 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.101 -1.842 -4.649 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.810 0.180 -4.662 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.063 -2.550 -4.055 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.793 -0.501 -4.087 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.915 -1.860 -3.782 1.00 0.00 C ATOM 0 H TRP C 54 6.629 2.752 -7.703 1.00 0.00 H new ATOM 0 HA TRP C 54 4.540 0.683 -7.829 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.517 1.507 -5.942 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.976 2.021 -5.283 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.995 -1.129 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.752 -3.165 -4.960 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.705 1.230 -4.891 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 3.159 -3.600 -3.819 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.871 0.014 -3.860 1.00 0.00 H new ATOM 0 HH2 TRP C 54 1.085 -2.375 -3.321 1.00 0.00 H new ATOM 818 N GLY C 55 2.603 2.207 -6.932 1.00 0.00 N ATOM 819 CA GLY C 55 1.558 3.188 -6.843 1.00 0.00 C ATOM 820 C GLY C 55 0.293 2.751 -6.139 1.00 0.00 C ATOM 821 O GLY C 55 0.081 1.576 -5.857 1.00 0.00 O ATOM 0 H GLY C 55 2.332 1.244 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.953 4.064 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.297 3.504 -7.853 1.00 0.00 H new ATOM 825 N ILE C 56 -0.535 3.741 -5.831 1.00 0.00 N ATOM 826 CA ILE C 56 -1.860 3.515 -5.266 1.00 0.00 C ATOM 827 C ILE C 56 -2.937 4.100 -6.177 1.00 0.00 C ATOM 828 O ILE C 56 -2.833 5.248 -6.615 1.00 0.00 O ATOM 829 CB ILE C 56 -2.016 4.152 -3.863 1.00 0.00 C ATOM 830 CG1 ILE C 56 -1.180 3.431 -2.811 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.474 4.137 -3.427 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.314 3.594 -2.956 1.00 0.00 C ATOM 0 H ILE C 56 -0.306 4.726 -5.966 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.977 2.435 -5.177 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.661 5.179 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.475 3.792 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.419 2.368 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.563 4.589 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.073 4.703 -4.140 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.832 3.108 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.819 3.044 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.630 3.205 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.573 4.651 -2.888 1.00 0.00 H new ATOM 844 N PHE C 57 -3.966 3.312 -6.445 1.00 0.00 N ATOM 845 CA PHE C 57 -5.093 3.756 -7.248 1.00 0.00 C ATOM 846 C PHE C 57 -6.389 3.658 -6.450 1.00 0.00 C ATOM 847 O PHE C 57 -6.849 2.569 -6.127 1.00 0.00 O ATOM 848 CB PHE C 57 -5.211 2.914 -8.525 1.00 0.00 C ATOM 849 CG PHE C 57 -4.042 3.050 -9.457 1.00 0.00 C ATOM 850 CD1 PHE C 57 -2.875 2.336 -9.239 1.00 0.00 C ATOM 851 CD2 PHE C 57 -4.113 3.889 -10.555 1.00 0.00 C ATOM 852 CE1 PHE C 57 -1.802 2.460 -10.095 1.00 0.00 C ATOM 853 CE2 PHE C 57 -3.042 4.017 -11.417 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.885 3.301 -11.186 1.00 0.00 C ATOM 0 H PHE C 57 -4.043 2.351 -6.113 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.922 4.797 -7.524 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.321 1.866 -8.248 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.120 3.201 -9.054 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -2.805 1.674 -8.388 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -5.017 4.450 -10.740 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -0.897 1.900 -9.912 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -3.110 4.676 -12.270 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.045 3.399 -11.858 1.00 0.00 H new ATOM 864 N VAL C 58 -6.968 4.795 -6.115 1.00 0.00 N ATOM 865 CA VAL C 58 -8.269 4.817 -5.469 1.00 0.00 C ATOM 866 C VAL C 58 -9.352 4.973 -6.529 1.00 0.00 C ATOM 867 O VAL C 58 -9.401 5.985 -7.233 1.00 0.00 O ATOM 868 CB VAL C 58 -8.378 5.941 -4.407 1.00 0.00 C ATOM 869 CG1 VAL C 58 -7.945 7.285 -4.974 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.795 6.025 -3.855 1.00 0.00 C ATOM 0 H VAL C 58 -6.560 5.715 -6.279 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.402 3.873 -4.940 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.702 5.690 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.034 8.051 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -6.909 7.223 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -8.582 7.546 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.849 6.820 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.490 6.240 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -10.062 5.075 -3.391 1.00 0.00 H new ATOM 880 N ASN C 59 -10.192 3.950 -6.670 1.00 0.00 N ATOM 881 CA ASN C 59 -11.202 3.922 -7.731 1.00 0.00 C ATOM 882 C ASN C 59 -10.538 4.023 -9.101 1.00 0.00 C ATOM 883 O ASN C 59 -11.081 4.628 -10.026 1.00 0.00 O ATOM 884 CB ASN C 59 -12.214 5.060 -7.559 1.00 0.00 C ATOM 885 CG ASN C 59 -13.176 4.831 -6.414 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.895 5.190 -5.270 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.323 4.249 -6.716 1.00 0.00 N ATOM 0 H ASN C 59 -10.195 3.129 -6.065 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.734 2.973 -7.661 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.677 5.994 -7.393 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.780 5.178 -8.483 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -15.017 4.081 -5.988 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.514 3.968 -7.678 1.00 0.00 H new ATOM 894 N GLY C 60 -9.353 3.435 -9.219 1.00 0.00 N ATOM 895 CA GLY C 60 -8.624 3.471 -10.473 1.00 0.00 C ATOM 896 C GLY C 60 -7.899 4.786 -10.710 1.00 0.00 C ATOM 897 O GLY C 60 -7.379 5.023 -11.799 1.00 0.00 O ATOM 0 H GLY C 60 -8.883 2.932 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -7.899 2.657 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.319 3.294 -11.294 1.00 0.00 H new ATOM 901 N GLU C 61 -7.859 5.650 -9.701 1.00 0.00 N ATOM 902 CA GLU C 61 -7.171 6.927 -9.834 1.00 0.00 C ATOM 903 C GLU C 61 -5.880 6.926 -9.026 1.00 0.00 C ATOM 904 O GLU C 61 -5.878 6.625 -7.833 1.00 0.00 O ATOM 905 CB GLU C 61 -8.072 8.084 -9.396 1.00 0.00 C ATOM 906 CG GLU C 61 -7.441 9.449 -9.613 1.00 0.00 C ATOM 907 CD GLU C 61 -8.407 10.589 -9.370 1.00 0.00 C ATOM 908 OE1 GLU C 61 -8.506 11.064 -8.219 1.00 0.00 O ATOM 909 OE2 GLU C 61 -9.066 11.026 -10.337 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.291 5.491 -8.791 1.00 0.00 H new ATOM 0 HA GLU C 61 -6.924 7.068 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.011 8.033 -9.947 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.315 7.967 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -6.584 9.557 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.063 9.511 -10.633 1.00 0.00 H new ATOM 916 N LYS C 62 -4.787 7.263 -9.690 1.00 0.00 N ATOM 917 CA LYS C 62 -3.468 7.236 -9.079 1.00 0.00 C ATOM 918 C LYS C 62 -3.303 8.390 -8.089 1.00 0.00 C ATOM 919 O LYS C 62 -3.087 9.538 -8.477 1.00 0.00 O ATOM 920 CB LYS C 62 -2.403 7.291 -10.178 1.00 0.00 C ATOM 921 CG LYS C 62 -0.978 7.108 -9.685 1.00 0.00 C ATOM 922 CD LYS C 62 -0.036 6.762 -10.831 1.00 0.00 C ATOM 923 CE LYS C 62 -0.090 7.799 -11.944 1.00 0.00 C ATOM 924 NZ LYS C 62 0.769 7.423 -13.098 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.788 7.562 -10.665 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.349 6.310 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.621 6.519 -10.916 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -2.476 8.251 -10.690 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -0.640 8.022 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -0.949 6.317 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.984 6.688 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.298 5.784 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -1.120 7.915 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS C 62 0.229 8.766 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 0.703 8.156 -13.833 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.756 7.337 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 0.449 6.513 -13.487 1.00 0.00 H new ATOM 938 N VAL C 63 -3.421 8.070 -6.808 1.00 0.00 N ATOM 939 CA VAL C 63 -3.327 9.067 -5.748 1.00 0.00 C ATOM 940 C VAL C 63 -1.894 9.194 -5.232 1.00 0.00 C ATOM 941 O VAL C 63 -1.372 10.300 -5.085 1.00 0.00 O ATOM 942 CB VAL C 63 -4.294 8.744 -4.577 1.00 0.00 C ATOM 943 CG1 VAL C 63 -4.329 7.253 -4.295 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.909 9.498 -3.311 1.00 0.00 C ATOM 0 H VAL C 63 -3.583 7.120 -6.475 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.623 10.023 -6.179 1.00 0.00 H new ATOM 0 HB VAL C 63 -5.288 9.070 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -5.014 7.055 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -4.669 6.722 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -3.330 6.910 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.607 9.248 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.899 9.216 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -3.944 10.571 -3.501 1.00 0.00 H new ATOM 954 N TYR C 64 -1.254 8.066 -4.973 1.00 0.00 N ATOM 955 CA TYR C 64 0.101 8.070 -4.451 1.00 0.00 C ATOM 956 C TYR C 64 0.984 7.186 -5.321 1.00 0.00 C ATOM 957 O TYR C 64 0.505 6.227 -5.925 1.00 0.00 O ATOM 958 CB TYR C 64 0.097 7.584 -2.996 1.00 0.00 C ATOM 959 CG TYR C 64 1.398 7.803 -2.249 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.371 6.814 -2.203 1.00 0.00 C ATOM 961 CD2 TYR C 64 1.641 8.991 -1.570 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.547 6.999 -1.507 1.00 0.00 C ATOM 963 CE2 TYR C 64 2.820 9.186 -0.873 1.00 0.00 C ATOM 964 CZ TYR C 64 3.769 8.185 -0.844 1.00 0.00 C ATOM 965 OH TYR C 64 4.944 8.370 -0.150 1.00 0.00 O ATOM 0 H TYR C 64 -1.651 7.137 -5.116 1.00 0.00 H new ATOM 0 HA TYR C 64 0.502 9.084 -4.471 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.704 8.093 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR C 64 -0.138 6.520 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.204 5.882 -2.722 1.00 0.00 H new ATOM 0 HD2 TYR C 64 0.898 9.774 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.291 6.217 -1.482 1.00 0.00 H new ATOM 0 HE2 TYR C 64 2.997 10.117 -0.354 1.00 0.00 H new ATOM 0 HH TYR C 64 4.945 9.260 0.260 1.00 0.00 H new ATOM 975 N THR C 65 2.254 7.527 -5.411 1.00 0.00 N ATOM 976 CA THR C 65 3.203 6.759 -6.200 1.00 0.00 C ATOM 977 C THR C 65 4.570 6.781 -5.513 1.00 0.00 C ATOM 978 O THR C 65 4.943 7.796 -4.921 1.00 0.00 O ATOM 979 CB THR C 65 3.323 7.346 -7.626 1.00 0.00 C ATOM 980 OG1 THR C 65 2.030 7.383 -8.243 1.00 0.00 O ATOM 981 CG2 THR C 65 4.279 6.542 -8.495 1.00 0.00 C ATOM 0 H THR C 65 2.658 8.339 -4.943 1.00 0.00 H new ATOM 0 HA THR C 65 2.848 5.731 -6.278 1.00 0.00 H new ATOM 0 HB THR C 65 3.725 8.355 -7.535 1.00 0.00 H new ATOM 0 HG1 THR C 65 2.039 8.025 -8.984 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.333 6.990 -9.487 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.271 6.543 -8.042 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.920 5.516 -8.579 1.00 0.00 H new ATOM 989 N PHE C 66 5.309 5.676 -5.568 1.00 0.00 N ATOM 990 CA PHE C 66 6.615 5.616 -4.918 1.00 0.00 C ATOM 991 C PHE C 66 7.518 4.574 -5.560 1.00 0.00 C ATOM 992 O PHE C 66 7.167 3.973 -6.572 1.00 0.00 O ATOM 993 CB PHE C 66 6.467 5.331 -3.420 1.00 0.00 C ATOM 994 CG PHE C 66 5.823 4.011 -3.064 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.447 3.903 -2.913 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.604 2.885 -2.840 1.00 0.00 C ATOM 997 CE1 PHE C 66 3.866 2.699 -2.548 1.00 0.00 C ATOM 998 CE2 PHE C 66 6.029 1.681 -2.482 1.00 0.00 C ATOM 999 CZ PHE C 66 4.659 1.589 -2.334 1.00 0.00 C ATOM 0 H PHE C 66 5.031 4.821 -6.049 1.00 0.00 H new ATOM 0 HA PHE C 66 7.082 6.592 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.456 5.367 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.880 6.133 -2.973 1.00 0.00 H new ATOM 0 HD1 PHE C 66 3.822 4.768 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.677 2.951 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE C 66 2.795 2.629 -2.431 1.00 0.00 H new ATOM 0 HE2 PHE C 66 6.650 0.813 -2.318 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.208 0.649 -2.051 1.00 0.00 H new ATOM 1009 N ASN C 67 8.689 4.379 -4.965 1.00 0.00 N ATOM 1010 CA ASN C 67 9.662 3.423 -5.470 1.00 0.00 C ATOM 1011 C ASN C 67 10.102 2.494 -4.351 1.00 0.00 C ATOM 1012 O ASN C 67 10.284 2.924 -3.212 1.00 0.00 O ATOM 1013 CB ASN C 67 10.881 4.145 -6.052 1.00 0.00 C ATOM 1014 CG ASN C 67 10.508 5.225 -7.049 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.364 6.394 -6.686 1.00 0.00 O ATOM 1016 ND2 ASN C 67 10.325 4.844 -8.300 1.00 0.00 N ATOM 0 H ASN C 67 8.987 4.876 -4.126 1.00 0.00 H new ATOM 0 HA ASN C 67 9.193 2.840 -6.263 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.455 4.590 -5.240 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.530 3.417 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN C 67 10.054 5.528 -9.007 1.00 0.00 H new ATOM 0 HD22 ASN C 67 10.454 3.866 -8.559 1.00 0.00 H new ATOM 1023 N GLU C 68 10.277 1.222 -4.685 1.00 0.00 N ATOM 1024 CA GLU C 68 10.591 0.192 -3.686 1.00 0.00 C ATOM 1025 C GLU C 68 11.973 0.354 -3.057 1.00 0.00 C ATOM 1026 O GLU C 68 12.267 -0.286 -2.050 1.00 0.00 O ATOM 1027 CB GLU C 68 10.481 -1.205 -4.296 1.00 0.00 C ATOM 1028 CG GLU C 68 9.073 -1.760 -4.297 1.00 0.00 C ATOM 1029 CD GLU C 68 8.928 -3.011 -5.144 1.00 0.00 C ATOM 1030 OE1 GLU C 68 9.162 -4.120 -4.621 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.573 -2.896 -6.331 1.00 0.00 O1- ATOM 0 H GLU C 68 10.208 0.872 -5.641 1.00 0.00 H new ATOM 0 HA GLU C 68 9.855 0.319 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.851 -1.174 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU C 68 11.130 -1.885 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.777 -1.985 -3.273 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.388 -0.997 -4.666 1.00 0.00 H new ATOM 1038 N LYS C 69 12.816 1.191 -3.638 1.00 0.00 N ATOM 1039 CA LYS C 69 14.168 1.368 -3.120 1.00 0.00 C ATOM 1040 C LYS C 69 14.204 2.446 -2.042 1.00 0.00 C ATOM 1041 O LYS C 69 15.233 2.663 -1.405 1.00 0.00 O ATOM 1042 CB LYS C 69 15.136 1.721 -4.248 1.00 0.00 C ATOM 1043 CG LYS C 69 14.859 3.068 -4.890 1.00 0.00 C ATOM 1044 CD LYS C 69 15.726 3.284 -6.125 1.00 0.00 C ATOM 1045 CE LYS C 69 17.209 3.355 -5.786 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.556 4.594 -5.039 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.595 1.754 -4.459 1.00 0.00 H new ATOM 0 HA LYS C 69 14.480 0.424 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS C 69 16.153 1.717 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS C 69 15.086 0.946 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.807 3.131 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.047 3.863 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.556 2.472 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.424 4.207 -6.621 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.486 2.485 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.793 3.312 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.588 4.649 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 17.224 5.424 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.099 4.576 -4.105 1.00 0.00 H new ATOM 1060 N SER C 70 13.077 3.116 -1.846 1.00 0.00 N ATOM 1061 CA SER C 70 12.977 4.163 -0.844 1.00 0.00 C ATOM 1062 C SER C 70 12.686 3.558 0.529 1.00 0.00 C ATOM 1063 O SER C 70 12.523 2.342 0.658 1.00 0.00 O ATOM 1064 CB SER C 70 11.876 5.147 -1.244 1.00 0.00 C ATOM 1065 OG SER C 70 12.144 5.714 -2.518 1.00 0.00 O ATOM 0 H SER C 70 12.218 2.951 -2.370 1.00 0.00 H new ATOM 0 HA SER C 70 13.925 4.697 -0.784 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.914 4.635 -1.264 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.800 5.938 -0.498 1.00 0.00 H new ATOM 0 HG SER C 70 11.427 6.339 -2.755 1.00 0.00 H new ATOM 1071 N THR C 71 12.612 4.399 1.553 1.00 0.00 N ATOM 1072 CA THR C 71 12.343 3.931 2.885 1.00 0.00 C ATOM 1073 C THR C 71 10.853 3.721 3.043 1.00 0.00 C ATOM 1074 O THR C 71 10.072 4.673 3.025 1.00 0.00 O ATOM 1075 CB THR C 71 12.856 4.923 3.940 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.409 6.248 3.622 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.373 4.899 4.010 1.00 0.00 C ATOM 0 H THR C 71 12.736 5.408 1.475 1.00 0.00 H new ATOM 0 HA THR C 71 12.868 2.988 3.039 1.00 0.00 H new ATOM 0 HB THR C 71 12.458 4.628 4.911 1.00 0.00 H new ATOM 0 HG1 THR C 71 11.538 6.201 3.176 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.714 5.609 4.763 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.709 3.897 4.277 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.786 5.174 3.040 1.00 0.00 H new ATOM 1085 N VAL C 72 10.467 2.466 3.188 1.00 0.00 N ATOM 1086 CA VAL C 72 9.066 2.085 3.203 1.00 0.00 C ATOM 1087 C VAL C 72 8.322 2.760 4.352 1.00 0.00 C ATOM 1088 O VAL C 72 7.096 2.813 4.359 1.00 0.00 O ATOM 1089 CB VAL C 72 8.900 0.554 3.313 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.582 0.114 2.711 1.00 0.00 C ATOM 1091 CG2 VAL C 72 10.048 -0.171 2.639 1.00 0.00 C ATOM 0 H VAL C 72 11.113 1.685 3.298 1.00 0.00 H new ATOM 0 HA VAL C 72 8.637 2.418 2.258 1.00 0.00 H new ATOM 0 HB VAL C 72 8.906 0.296 4.372 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.485 -0.968 2.799 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.761 0.596 3.241 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.550 0.397 1.659 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.904 -1.247 2.733 1.00 0.00 H new ATOM 0 HG22 VAL C 72 10.080 0.100 1.584 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.987 0.112 3.115 1.00 0.00 H new ATOM 1101 N GLY C 73 9.072 3.309 5.296 1.00 0.00 N ATOM 1102 CA GLY C 73 8.464 3.944 6.452 1.00 0.00 C ATOM 1103 C GLY C 73 8.032 5.358 6.162 1.00 0.00 C ATOM 1104 O GLY C 73 6.977 5.795 6.625 1.00 0.00 O ATOM 0 H GLY C 73 10.092 3.327 5.284 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.601 3.361 6.773 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.174 3.945 7.279 1.00 0.00 H new ATOM 1108 N ASN C 74 8.830 6.082 5.386 1.00 0.00 N ATOM 1109 CA ASN C 74 8.416 7.400 4.939 1.00 0.00 C ATOM 1110 C ASN C 74 7.357 7.238 3.870 1.00 0.00 C ATOM 1111 O ASN C 74 6.460 8.059 3.731 1.00 0.00 O ATOM 1112 CB ASN C 74 9.594 8.220 4.396 1.00 0.00 C ATOM 1113 CG ASN C 74 10.566 8.638 5.482 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.370 9.651 6.153 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.639 7.883 5.642 1.00 0.00 N ATOM 0 H ASN C 74 9.749 5.784 5.060 1.00 0.00 H new ATOM 0 HA ASN C 74 8.015 7.946 5.793 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.124 7.634 3.646 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.212 9.109 3.894 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.339 8.133 6.341 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.767 7.050 5.067 1.00 0.00 H new ATOM 1122 N ILE C 75 7.464 6.151 3.130 1.00 0.00 N ATOM 1123 CA ILE C 75 6.519 5.842 2.074 1.00 0.00 C ATOM 1124 C ILE C 75 5.135 5.521 2.631 1.00 0.00 C ATOM 1125 O ILE C 75 4.173 6.252 2.391 1.00 0.00 O ATOM 1126 CB ILE C 75 7.006 4.647 1.228 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.314 4.985 0.499 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.936 4.219 0.243 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.236 6.223 -0.371 1.00 0.00 C ATOM 0 H ILE C 75 8.205 5.460 3.243 1.00 0.00 H new ATOM 0 HA ILE C 75 6.450 6.731 1.447 1.00 0.00 H new ATOM 0 HB ILE C 75 7.204 3.814 1.902 1.00 0.00 H new ATOM 0 HG12 ILE C 75 9.104 5.122 1.238 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.602 4.136 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.299 3.375 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE C 75 5.038 3.924 0.786 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.701 5.050 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.200 6.392 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.471 6.084 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.981 7.085 0.245 1.00 0.00 H new ATOM 1141 N SER C 76 5.049 4.434 3.390 1.00 0.00 N ATOM 1142 CA SER C 76 3.764 3.890 3.799 1.00 0.00 C ATOM 1143 C SER C 76 2.983 4.843 4.677 1.00 0.00 C ATOM 1144 O SER C 76 1.871 5.237 4.347 1.00 0.00 O ATOM 1145 CB SER C 76 3.943 2.549 4.510 1.00 0.00 C ATOM 1146 OG SER C 76 4.810 2.668 5.628 1.00 0.00 O ATOM 0 H SER C 76 5.856 3.913 3.734 1.00 0.00 H new ATOM 0 HA SER C 76 3.186 3.739 2.887 1.00 0.00 H new ATOM 0 HB2 SER C 76 2.972 2.177 4.838 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.346 1.816 3.811 1.00 0.00 H new ATOM 0 HG SER C 76 5.741 2.637 5.324 1.00 0.00 H new ATOM 1152 N ASN C 77 3.563 5.225 5.784 1.00 0.00 N ATOM 1153 CA ASN C 77 2.825 6.003 6.767 1.00 0.00 C ATOM 1154 C ASN C 77 2.576 7.450 6.334 1.00 0.00 C ATOM 1155 O ASN C 77 1.711 8.113 6.907 1.00 0.00 O ATOM 1156 CB ASN C 77 3.459 5.929 8.149 1.00 0.00 C ATOM 1157 CG ASN C 77 3.045 4.672 8.909 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.843 4.082 9.641 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.782 4.273 8.771 1.00 0.00 N ATOM 0 H ASN C 77 4.530 5.018 6.034 1.00 0.00 H new ATOM 0 HA ASN C 77 1.842 5.536 6.833 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.544 5.950 8.050 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.174 6.810 8.725 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.447 3.455 9.280 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.149 4.786 8.156 1.00 0.00 H new ATOM 1166 N ASP C 78 3.298 7.952 5.329 1.00 0.00 N ATOM 1167 CA ASP C 78 2.893 9.216 4.699 1.00 0.00 C ATOM 1168 C ASP C 78 1.521 9.036 4.091 1.00 0.00 C ATOM 1169 O ASP C 78 0.659 9.902 4.203 1.00 0.00 O ATOM 1170 CB ASP C 78 3.849 9.669 3.600 1.00 0.00 C ATOM 1171 CG ASP C 78 4.955 10.583 4.100 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.298 10.524 5.299 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.491 11.368 3.287 1.00 0.00 O1- ATOM 0 H ASP C 78 4.138 7.522 4.943 1.00 0.00 H new ATOM 0 HA ASP C 78 2.899 9.980 5.476 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.296 8.791 3.134 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.282 10.187 2.826 1.00 0.00 H new ATOM 1178 N ILE C 79 1.330 7.875 3.467 1.00 0.00 N ATOM 1179 CA ILE C 79 0.043 7.488 2.905 1.00 0.00 C ATOM 1180 C ILE C 79 -1.035 7.537 3.981 1.00 0.00 C ATOM 1181 O ILE C 79 -2.215 7.744 3.698 1.00 0.00 O ATOM 1182 CB ILE C 79 0.101 6.061 2.296 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.132 6.006 1.166 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.268 5.622 1.793 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.350 4.615 0.608 1.00 0.00 C ATOM 0 H ILE C 79 2.064 7.179 3.338 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.199 8.194 2.110 1.00 0.00 H new ATOM 0 HB ILE C 79 0.406 5.370 3.082 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.810 6.665 0.360 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.082 6.393 1.534 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.197 4.619 1.372 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.976 5.618 2.622 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.613 6.314 1.025 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.093 4.655 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.703 3.956 1.401 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.411 4.232 0.209 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.616 7.384 5.229 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.565 7.342 6.325 1.00 0.00 C ATOM 1199 C ASN C 80 -1.937 8.735 6.781 1.00 0.00 C ATOM 1200 O ASN C 80 -3.057 8.953 7.229 1.00 0.00 O ATOM 1201 CB ASN C 80 -1.043 6.566 7.540 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.678 5.118 7.272 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.883 4.257 8.124 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.089 4.842 6.126 1.00 0.00 N ATOM 0 H ASN C 80 0.362 7.288 5.503 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.439 6.824 5.930 1.00 0.00 H new ATOM 0 HB2 ASN C 80 -0.164 7.080 7.929 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.801 6.594 8.323 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.212 3.889 5.924 1.00 0.00 H new ATOM 0 HD22 ASN C 80 0.065 5.582 5.441 1.00 0.00 H new ATOM 1211 N LYS C 81 -1.007 9.674 6.683 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.295 11.055 7.051 1.00 0.00 C ATOM 1213 C LYS C 81 -2.458 11.545 6.210 1.00 0.00 C ATOM 1214 O LYS C 81 -3.360 12.225 6.688 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.071 11.947 6.826 1.00 0.00 C ATOM 1216 CG LYS C 81 1.213 11.383 7.412 1.00 0.00 C ATOM 1217 CD LYS C 81 1.098 11.139 8.907 1.00 0.00 C ATOM 1218 CE LYS C 81 2.315 10.403 9.432 1.00 0.00 C ATOM 1219 NZ LYS C 81 2.184 10.067 10.876 1.00 0.00 N1+ ATOM 0 H LYS C 81 -0.055 9.509 6.355 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.550 11.101 8.110 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.065 12.099 5.755 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.261 12.926 7.265 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.460 10.448 6.910 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.033 12.074 7.220 1.00 0.00 H new ATOM 0 HD2 LYS C 81 0.992 12.091 9.427 1.00 0.00 H new ATOM 0 HD3 LYS C 81 0.199 10.559 9.116 1.00 0.00 H new ATOM 0 HE2 LYS C 81 2.460 9.487 8.859 1.00 0.00 H new ATOM 0 HE3 LYS C 81 3.203 11.017 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 3.037 9.565 11.194 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 2.071 10.942 11.427 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 1.352 9.459 11.017 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.444 11.123 4.959 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.487 11.455 4.006 1.00 0.00 C ATOM 1235 C LEU C 82 -4.844 10.961 4.508 1.00 0.00 C ATOM 1236 O LEU C 82 -5.875 11.567 4.212 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.172 10.790 2.660 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.680 10.616 2.336 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.516 9.993 0.960 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.950 11.952 2.392 1.00 0.00 C ATOM 0 H LEU C 82 -1.704 10.537 4.573 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.527 12.538 3.888 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.646 9.809 2.641 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.631 11.381 1.867 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.243 9.956 3.085 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.455 9.873 0.739 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.003 9.018 0.942 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.972 10.640 0.211 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.104 11.801 2.159 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.388 12.637 1.665 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.043 12.376 3.392 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.803 9.881 5.297 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.997 9.169 5.781 1.00 0.00 C ATOM 1254 C ASN C 83 -7.087 9.119 4.720 1.00 0.00 C ATOM 1255 O ASN C 83 -7.990 9.954 4.687 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.515 9.763 7.093 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.360 8.789 8.257 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -7.156 8.792 9.193 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.323 7.951 8.213 1.00 0.00 N ATOM 0 H ASN C 83 -3.929 9.469 5.623 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.699 8.141 5.988 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.973 10.683 7.314 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.566 10.031 6.981 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -5.172 7.286 8.972 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -4.681 7.975 7.421 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.987 8.117 3.861 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.790 8.043 2.652 1.00 0.00 C ATOM 1268 C ILE C 84 -9.274 7.907 2.941 1.00 0.00 C ATOM 1269 O ILE C 84 -9.687 7.223 3.867 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.333 6.882 1.764 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.819 6.929 1.620 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.996 6.949 0.396 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.308 8.226 1.026 1.00 0.00 C ATOM 0 H ILE C 84 -6.347 7.332 3.983 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.640 8.987 2.128 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.627 5.942 2.231 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.364 6.783 2.600 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.496 6.099 0.992 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.655 6.113 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.078 6.894 0.513 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.731 7.887 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.221 8.189 0.953 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.734 8.364 0.032 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.601 9.059 1.665 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.054 8.548 2.097 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.484 8.682 2.285 1.00 0.00 C ATOM 1287 C LYS C 85 -12.237 7.901 1.229 1.00 0.00 C ATOM 1288 O LYS C 85 -13.380 8.218 0.894 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.858 10.150 2.178 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.184 10.863 0.990 1.00 0.00 C ATOM 1291 CD LYS C 85 -10.208 11.948 1.442 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.011 11.377 2.195 1.00 0.00 C ATOM 1293 NZ LYS C 85 -8.038 12.436 2.573 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.708 8.997 1.249 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.750 8.290 3.267 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.940 10.236 2.079 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.581 10.657 3.102 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.653 10.130 0.383 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.950 11.308 0.355 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.856 12.501 0.571 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -10.731 12.659 2.082 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.357 10.865 3.093 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.514 10.632 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -7.292 12.025 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -7.612 12.839 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -8.529 13.186 3.101 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.591 6.888 0.707 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.142 6.174 -0.406 1.00 0.00 C ATOM 1309 C GLY C 86 -12.497 4.746 -0.050 1.00 0.00 C ATOM 1310 O GLY C 86 -12.096 4.256 1.007 1.00 0.00 O ATOM 0 H GLY C 86 -10.689 6.545 1.036 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.034 6.690 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.425 6.175 -1.227 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.245 4.051 -0.916 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.747 2.703 -0.630 1.00 0.00 C ATOM 1316 C PRO C 87 -12.707 1.606 -0.878 1.00 0.00 C ATOM 1317 O PRO C 87 -12.171 1.031 0.071 1.00 0.00 O ATOM 1318 CB PRO C 87 -14.917 2.578 -1.600 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.503 3.388 -2.780 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.684 4.532 -2.238 1.00 0.00 C ATOM 0 HA PRO C 87 -14.015 2.575 0.419 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.097 1.539 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.840 2.957 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -13.920 2.788 -3.479 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.373 3.756 -3.325 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.836 4.758 -2.884 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.275 5.444 -2.156 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.414 1.311 -2.143 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.412 0.320 -2.461 1.00 0.00 C ATOM 1330 C TYR C 88 -10.130 1.002 -2.906 1.00 0.00 C ATOM 1331 O TYR C 88 -10.084 1.685 -3.932 1.00 0.00 O ATOM 1332 CB TYR C 88 -11.905 -0.697 -3.507 1.00 0.00 C ATOM 1333 CG TYR C 88 -12.393 -0.109 -4.817 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -13.598 0.576 -4.891 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -11.653 -0.261 -5.981 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -14.050 1.094 -6.088 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -12.096 0.257 -7.182 1.00 0.00 C ATOM 1338 CZ TYR C 88 -13.295 0.934 -7.229 1.00 0.00 C ATOM 1339 OH TYR C 88 -13.743 1.453 -8.421 1.00 0.00 O ATOM 0 H TYR C 88 -12.857 1.745 -2.952 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.208 -0.251 -1.555 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.093 -1.392 -3.722 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.715 -1.279 -3.067 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -14.191 0.706 -3.998 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -10.714 -0.794 -5.947 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -14.991 1.622 -6.130 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -11.507 0.132 -8.078 1.00 0.00 H new ATOM 0 HH TYR C 88 -13.094 1.255 -9.128 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.103 0.843 -2.095 1.00 0.00 N ATOM 1350 CA ILE C 89 -7.825 1.484 -2.336 1.00 0.00 C ATOM 1351 C ILE C 89 -6.847 0.473 -2.900 1.00 0.00 C ATOM 1352 O ILE C 89 -6.405 -0.438 -2.202 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.258 2.080 -1.035 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.361 2.831 -0.292 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.081 3.001 -1.328 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -8.951 3.985 -1.072 1.00 0.00 C ATOM 0 H ILE C 89 -9.130 0.268 -1.253 1.00 0.00 H new ATOM 0 HA ILE C 89 -7.973 2.293 -3.052 1.00 0.00 H new ATOM 0 HB ILE C 89 -6.895 1.269 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -9.157 2.131 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -7.960 3.209 0.648 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.698 3.410 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.293 2.437 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.409 3.816 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -9.727 4.467 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -8.168 4.708 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -9.384 3.613 -2.000 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.518 0.635 -4.162 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.697 -0.330 -4.853 1.00 0.00 C ATOM 1370 C GLU C 90 -4.232 0.038 -4.747 1.00 0.00 C ATOM 1371 O GLU C 90 -3.727 0.872 -5.491 1.00 0.00 O ATOM 1372 CB GLU C 90 -6.119 -0.393 -6.310 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.602 -0.677 -6.473 1.00 0.00 C ATOM 1374 CD GLU C 90 -8.078 -0.505 -7.901 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.830 -1.413 -8.725 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -8.708 0.529 -8.208 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.808 1.430 -4.731 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.833 -1.308 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.878 0.552 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.546 -1.168 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.811 -1.695 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -8.169 -0.010 -5.823 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.560 -0.595 -3.816 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.150 -0.366 -3.606 1.00 0.00 C ATOM 1385 C ILE C 91 -1.367 -1.435 -4.360 1.00 0.00 C ATOM 1386 O ILE C 91 -1.329 -2.595 -3.947 1.00 0.00 O ATOM 1387 CB ILE C 91 -1.821 -0.385 -2.094 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -2.723 0.617 -1.356 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -0.354 -0.078 -1.836 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.215 1.008 0.016 1.00 0.00 C ATOM 0 H ILE C 91 -3.973 -1.281 -3.184 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.868 0.616 -3.986 1.00 0.00 H new ATOM 0 HB ILE C 91 -2.012 -1.389 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -2.824 1.516 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.719 0.187 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -0.161 -0.100 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE C 91 0.267 -0.824 -2.332 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -0.115 0.911 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.906 1.717 0.471 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -2.141 0.120 0.643 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -1.232 1.469 -0.078 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.778 -1.050 -5.494 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.141 -2.010 -6.386 1.00 0.00 C ATOM 1404 C LYS C 92 0.921 -1.347 -7.259 1.00 0.00 C ATOM 1405 O LYS C 92 0.780 -0.201 -7.679 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.212 -2.655 -7.268 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.106 -1.641 -7.970 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.562 -1.199 -9.324 1.00 0.00 C ATOM 1409 CE LYS C 92 -1.824 -2.218 -10.430 1.00 0.00 C ATOM 1410 NZ LYS C 92 -0.954 -3.421 -10.327 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.731 -0.082 -5.812 1.00 0.00 H new ATOM 0 HA LYS C 92 0.357 -2.768 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.727 -3.281 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.830 -3.311 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.097 -2.073 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.225 -0.767 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.016 -0.247 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.489 -1.028 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -2.869 -2.527 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -1.667 -1.744 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -0.934 -3.914 -11.242 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 0.011 -3.131 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -1.330 -4.060 -9.598 1.00 0.00 H new ATOM 1424 N GLN C 93 1.989 -2.076 -7.514 1.00 0.00 N ATOM 1425 CA GLN C 93 3.021 -1.648 -8.414 1.00 0.00 C ATOM 1426 C GLN C 93 2.470 -1.573 -9.839 1.00 0.00 C ATOM 1427 O GLN C 93 1.673 -2.426 -10.243 1.00 0.00 O ATOM 1428 CB GLN C 93 4.169 -2.645 -8.285 1.00 0.00 C ATOM 1429 CG GLN C 93 5.424 -2.215 -8.982 1.00 0.00 C ATOM 1430 CD GLN C 93 5.477 -2.658 -10.428 1.00 0.00 C ATOM 1431 OE1 GLN C 93 4.929 -3.697 -10.791 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.127 -1.870 -11.263 1.00 0.00 N ATOM 0 H GLN C 93 2.159 -2.990 -7.094 1.00 0.00 H new ATOM 0 HA GLN C 93 3.383 -0.649 -8.171 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.386 -2.800 -7.228 1.00 0.00 H new ATOM 0 HB3 GLN C 93 3.851 -3.606 -8.689 1.00 0.00 H new ATOM 0 HG2 GLN C 93 5.504 -1.129 -8.937 1.00 0.00 H new ATOM 0 HG3 GLN C 93 6.285 -2.621 -8.451 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.568 -1.016 -10.920 1.00 0.00 H new ATOM 0 HE22 GLN C 93 6.189 -2.114 -12.251 1.00 0.00 H new ATOM 1441 N ILE C 94 2.871 -0.549 -10.592 1.00 0.00 N ATOM 1442 CA ILE C 94 2.316 -0.336 -11.927 1.00 0.00 C ATOM 1443 C ILE C 94 2.987 -1.239 -12.954 1.00 0.00 C ATOM 1444 O ILE C 94 4.141 -0.966 -13.328 1.00 0.00 O ATOM 1445 CB ILE C 94 2.398 1.138 -12.412 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.391 1.979 -11.589 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.019 1.771 -12.375 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.785 2.648 -10.367 1.00 0.00 C ATOM 1449 OXT ILE C 94 2.343 -2.215 -13.400 1.00 0.00 O ATOM 0 H ILE C 94 3.569 0.137 -10.305 1.00 0.00 H new ATOM 0 HA ILE C 94 1.260 -0.590 -11.839 1.00 0.00 H new ATOM 0 HB ILE C 94 2.770 1.121 -13.436 1.00 0.00 H new ATOM 0 HG12 ILE C 94 4.212 1.338 -11.268 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.819 2.747 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.084 2.804 -12.716 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.346 1.215 -13.027 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.636 1.749 -11.355 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.554 3.219 -9.846 1.00 0.00 H new ATOM 0 HD12 ILE C 94 1.984 3.318 -10.679 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.382 1.887 -9.698 1.00 0.00 H new