USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 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= -0.159 K(o=-0.16,f=-5.6!) USER MOD Set 1.2: C 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: C 77 ASN :FLIP amide:sc= 0.694 F(o=-18!,f=-2.4) USER MOD Set 2.2: C 80 ASN : amide:sc= -3.13! C(o=-2.4!,f=-14!) USER MOD Set 3.1: C 40 SER OG : rot 40:sc= -0.228 USER MOD Set 3.2: C 76 SER OG : rot -65:sc= 0.587 USER MOD Set 4.1: C 71 THR OG1 : rot -130:sc= 0.735 USER MOD Set 4.2: C 74 ASN : amide:sc= 0.834 X(o=1.6,f=1.2) USER MOD Set 5.1: C 62 LYS NZ :NH3+ 177:sc= 0.964 (180deg=-0.324) USER MOD Set 5.2: C 65 THR OG1 : rot 107:sc= 1.08 USER MOD Set 6.1: C 32 ASN : amide:sc= 0.586 K(o=-1.7,f=-2.9) USER MOD Set 6.2: C 35 GLN : amide:sc= -2.31! C(o=-1.7!,f=-2.9!) USER MOD Set 6.3: C 37 LYS NZ :NH3+ -124:sc= 0.0334 (180deg=-0.146) USER MOD Set 7.1: C 26 LYS NZ :NH3+ -170:sc= 1.12 (180deg=0.965) USER MOD Set 7.2: C 42 ASN : amide:sc= -1.02 K(o=0.1,f=-1.1!) USER MOD Set 8.1: C 21 ASN : amide:sc= -0.09 K(o=-0.09,f=-3.1!) USER MOD Set 8.2: C 28 SER OG : rot 180:sc= 0 USER MOD Set 9.1: C 14 ASN : amide:sc= -0.0519 K(o=-3.4,f=-6.3) USER MOD Set 9.2: C 17 ASN : amide:sc= -3.31! C(o=-3.4!,f=-13!) USER MOD Single : C 9 GLN : amide:sc= -1.6! C(o=-1.6!,f=-1.6!) USER MOD Single : C 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 12 SER OG : rot 180:sc= 0.0481 USER MOD Single : C 15 SER OG : rot 75:sc= 0.42 USER MOD Single : C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 22 LYS NZ :NH3+ -120:sc= 1.51 (180deg=-0.496) USER MOD Single : C 24 LYS NZ :NH3+ -151:sc=-0.00158 (180deg=-0.18) USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl -151:sc= -0.142 (180deg=-0.758) USER MOD Single : C 34 ASN :FLIP amide:sc= -0.357 F(o=-1.3!,f=-0.36) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.203 USER MOD Single : C 41 SER OG : rot 180:sc= 0.0563 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 117:sc= 0.379 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -140:sc= -0.115 (180deg=-0.419) USER MOD Single : C 53 ASN : amide:sc= -4.02! C(o=-4!,f=-4.1!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= -3.02! C(o=-3!,f=-14!) USER MOD Single : C 69 LYS NZ :NH3+ -159:sc= -0.0846 (180deg=-0.491) USER MOD Single : C 70 SER OG : rot 89:sc= 1.02 USER MOD Single : C 81 LYS NZ :NH3+ -164:sc= -0.0382 (180deg=-0.302) USER MOD Single : C 83 ASN :FLIP amide:sc= -0.251 F(o=-1.2,f=-0.25) USER MOD Single : C 85 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.12) USER MOD Single : C 92 LYS NZ :NH3+ -178:sc= 0.851 (180deg=0.848) USER MOD Single : C 93 GLN : amide:sc= -0.596 X(o=-0.6,f=-1) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -11.670 -3.930 1.067 1.00 0.00 N ATOM 126 CA GLN C 9 -11.044 -4.068 2.385 1.00 0.00 C ATOM 127 C GLN C 9 -10.676 -5.519 2.702 1.00 0.00 C ATOM 128 O GLN C 9 -10.038 -5.797 3.721 1.00 0.00 O ATOM 129 CB GLN C 9 -11.999 -3.545 3.453 1.00 0.00 C ATOM 130 CG GLN C 9 -12.191 -2.037 3.427 1.00 0.00 C ATOM 131 CD GLN C 9 -13.475 -1.605 4.107 1.00 0.00 C ATOM 132 OE1 GLN C 9 -13.528 -0.564 4.762 1.00 0.00 O ATOM 133 NE2 GLN C 9 -14.539 -2.369 3.899 1.00 0.00 N ATOM 0 HA GLN C 9 -10.121 -3.488 2.376 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.969 -4.026 3.326 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -11.625 -3.836 4.434 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.344 -1.557 3.918 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -12.197 -1.692 2.393 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -14.453 -3.225 3.350 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -15.443 -2.101 4.288 1.00 0.00 H new ATOM 142 N MET C 10 -11.077 -6.433 1.829 1.00 0.00 N ATOM 143 CA MET C 10 -10.881 -7.863 2.050 1.00 0.00 C ATOM 144 C MET C 10 -9.462 -8.303 1.675 1.00 0.00 C ATOM 145 O MET C 10 -8.499 -7.567 1.884 1.00 0.00 O ATOM 146 CB MET C 10 -11.908 -8.673 1.249 1.00 0.00 C ATOM 147 CG MET C 10 -13.357 -8.398 1.617 1.00 0.00 C ATOM 148 SD MET C 10 -13.950 -6.812 0.995 1.00 0.00 S ATOM 149 CE MET C 10 -15.672 -6.910 1.468 1.00 0.00 C ATOM 0 H MET C 10 -11.545 -6.208 0.951 1.00 0.00 H new ATOM 0 HA MET C 10 -11.023 -8.053 3.114 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.770 -8.462 0.188 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.706 -9.734 1.392 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.985 -9.196 1.221 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.461 -8.419 2.702 1.00 0.00 H new ATOM 0 HE1 MET C 10 -16.187 -6.002 1.155 1.00 0.00 H new ATOM 0 HE2 MET C 10 -16.133 -7.773 0.987 1.00 0.00 H new ATOM 0 HE3 MET C 10 -15.747 -7.015 2.550 1.00 0.00 H new ATOM 159 N ASN C 11 -9.340 -9.505 1.116 1.00 0.00 N ATOM 160 CA ASN C 11 -8.039 -10.084 0.767 1.00 0.00 C ATOM 161 C ASN C 11 -7.310 -9.262 -0.291 1.00 0.00 C ATOM 162 O ASN C 11 -6.134 -9.495 -0.554 1.00 0.00 O ATOM 163 CB ASN C 11 -8.210 -11.521 0.256 1.00 0.00 C ATOM 164 CG ASN C 11 -8.712 -12.470 1.325 1.00 0.00 C ATOM 165 OD1 ASN C 11 -7.924 -13.076 2.055 1.00 0.00 O ATOM 166 ND2 ASN C 11 -10.023 -12.617 1.418 1.00 0.00 N ATOM 0 H ASN C 11 -10.134 -10.105 0.892 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.438 -10.081 1.677 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -8.908 -11.523 -0.581 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.255 -11.882 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -10.417 -13.251 2.113 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -10.640 -12.097 0.794 1.00 0.00 H new ATOM 173 N SER C 12 -8.008 -8.299 -0.874 1.00 0.00 N ATOM 174 CA SER C 12 -7.468 -7.464 -1.938 1.00 0.00 C ATOM 175 C SER C 12 -6.091 -6.900 -1.576 1.00 0.00 C ATOM 176 O SER C 12 -5.100 -7.185 -2.248 1.00 0.00 O ATOM 177 CB SER C 12 -8.451 -6.333 -2.210 1.00 0.00 C ATOM 178 OG SER C 12 -9.782 -6.825 -2.192 1.00 0.00 O ATOM 0 H SER C 12 -8.970 -8.073 -0.621 1.00 0.00 H new ATOM 0 HA SER C 12 -7.335 -8.073 -2.832 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.334 -5.552 -1.459 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.236 -5.880 -3.178 1.00 0.00 H new ATOM 0 HG SER C 12 -10.405 -6.089 -2.366 1.00 0.00 H new ATOM 184 N ILE C 13 -6.025 -6.127 -0.498 1.00 0.00 N ATOM 185 CA ILE C 13 -4.760 -5.532 -0.073 1.00 0.00 C ATOM 186 C ILE C 13 -3.958 -6.505 0.789 1.00 0.00 C ATOM 187 O ILE C 13 -2.760 -6.335 0.966 1.00 0.00 O ATOM 188 CB ILE C 13 -4.935 -4.192 0.693 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.473 -4.405 2.117 1.00 0.00 C ATOM 190 CG2 ILE C 13 -5.843 -3.248 -0.080 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.864 -4.985 2.174 1.00 0.00 C ATOM 0 H ILE C 13 -6.824 -5.898 0.094 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.216 -5.314 -0.992 1.00 0.00 H new ATOM 0 HB ILE C 13 -3.947 -3.741 0.782 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -4.794 -5.067 2.654 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.469 -3.449 2.641 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -5.953 -2.315 0.473 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -5.406 -3.041 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.822 -3.710 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -7.167 -5.103 3.214 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -7.559 -4.315 1.668 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.873 -5.957 1.681 1.00 0.00 H new ATOM 203 N ASN C 14 -4.623 -7.521 1.329 1.00 0.00 N ATOM 204 CA ASN C 14 -3.942 -8.507 2.168 1.00 0.00 C ATOM 205 C ASN C 14 -3.062 -9.413 1.323 1.00 0.00 C ATOM 206 O ASN C 14 -1.968 -9.784 1.736 1.00 0.00 O ATOM 207 CB ASN C 14 -4.934 -9.355 2.947 1.00 0.00 C ATOM 208 CG ASN C 14 -5.779 -8.548 3.914 1.00 0.00 C ATOM 209 OD1 ASN C 14 -5.349 -7.508 4.418 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.980 -9.027 4.197 1.00 0.00 N ATOM 0 H ASN C 14 -5.622 -7.685 1.204 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.323 -7.956 2.876 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.589 -9.872 2.246 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.391 -10.121 3.501 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.585 -8.532 4.853 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -7.301 -9.891 3.760 1.00 0.00 H new ATOM 217 N SER C 15 -3.547 -9.781 0.144 1.00 0.00 N ATOM 218 CA SER C 15 -2.729 -10.513 -0.812 1.00 0.00 C ATOM 219 C SER C 15 -1.564 -9.640 -1.244 1.00 0.00 C ATOM 220 O SER C 15 -0.477 -10.126 -1.555 1.00 0.00 O ATOM 221 CB SER C 15 -3.566 -10.939 -2.016 1.00 0.00 C ATOM 222 OG SER C 15 -4.625 -11.796 -1.616 1.00 0.00 O ATOM 0 H SER C 15 -4.497 -9.586 -0.171 1.00 0.00 H new ATOM 0 HA SER C 15 -2.341 -11.416 -0.341 1.00 0.00 H new ATOM 0 HB2 SER C 15 -3.973 -10.058 -2.512 1.00 0.00 H new ATOM 0 HB3 SER C 15 -2.933 -11.450 -2.742 1.00 0.00 H new ATOM 0 HG SER C 15 -5.325 -11.268 -1.179 1.00 0.00 H new ATOM 228 N VAL C 16 -1.806 -8.336 -1.238 1.00 0.00 N ATOM 229 CA VAL C 16 -0.754 -7.366 -1.449 1.00 0.00 C ATOM 230 C VAL C 16 0.204 -7.380 -0.259 1.00 0.00 C ATOM 231 O VAL C 16 1.417 -7.262 -0.434 1.00 0.00 O ATOM 232 CB VAL C 16 -1.331 -5.949 -1.663 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.220 -4.917 -1.769 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.194 -5.919 -2.912 1.00 0.00 C ATOM 0 H VAL C 16 -2.729 -7.929 -1.088 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.209 -7.639 -2.353 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.946 -5.698 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.655 -3.929 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.368 -4.919 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.425 -5.162 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.595 -4.915 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.591 -6.193 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.016 -6.627 -2.803 1.00 0.00 H new ATOM 244 N ASN C 17 -0.338 -7.572 0.949 1.00 0.00 N ATOM 245 CA ASN C 17 0.500 -7.700 2.139 1.00 0.00 C ATOM 246 C ASN C 17 1.431 -8.888 1.972 1.00 0.00 C ATOM 247 O ASN C 17 2.627 -8.795 2.235 1.00 0.00 O ATOM 248 CB ASN C 17 -0.338 -7.908 3.405 1.00 0.00 C ATOM 249 CG ASN C 17 -1.144 -6.694 3.796 1.00 0.00 C ATOM 250 OD1 ASN C 17 -0.751 -5.569 3.530 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.275 -6.916 4.442 1.00 0.00 N ATOM 0 H ASN C 17 -1.340 -7.641 1.124 1.00 0.00 H new ATOM 0 HA ASN C 17 1.065 -6.775 2.249 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.014 -8.749 3.250 1.00 0.00 H new ATOM 0 HB3 ASN C 17 0.323 -8.177 4.229 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -2.856 -6.131 4.738 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -2.567 -7.872 4.645 1.00 0.00 H new ATOM 258 N ASP C 18 0.865 -9.999 1.509 1.00 0.00 N ATOM 259 CA ASP C 18 1.614 -11.237 1.305 1.00 0.00 C ATOM 260 C ASP C 18 2.741 -11.042 0.301 1.00 0.00 C ATOM 261 O ASP C 18 3.792 -11.674 0.407 1.00 0.00 O ATOM 262 CB ASP C 18 0.693 -12.360 0.809 1.00 0.00 C ATOM 263 CG ASP C 18 -0.349 -12.776 1.830 1.00 0.00 C ATOM 264 OD1 ASP C 18 0.034 -13.271 2.909 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.557 -12.629 1.551 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.123 -10.067 1.265 1.00 0.00 H new ATOM 0 HA ASP C 18 2.039 -11.516 2.269 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.190 -12.033 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.298 -13.227 0.544 1.00 0.00 H new ATOM 270 N LYS C 19 2.527 -10.162 -0.663 1.00 0.00 N ATOM 271 CA LYS C 19 3.492 -9.959 -1.733 1.00 0.00 C ATOM 272 C LYS C 19 4.535 -8.927 -1.337 1.00 0.00 C ATOM 273 O LYS C 19 5.688 -8.997 -1.761 1.00 0.00 O ATOM 274 CB LYS C 19 2.785 -9.528 -3.017 1.00 0.00 C ATOM 275 CG LYS C 19 1.991 -10.643 -3.677 1.00 0.00 C ATOM 276 CD LYS C 19 1.408 -10.202 -5.012 1.00 0.00 C ATOM 277 CE LYS C 19 2.501 -9.850 -6.011 1.00 0.00 C ATOM 278 NZ LYS C 19 1.947 -9.452 -7.329 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.694 -9.577 -0.727 1.00 0.00 H new ATOM 0 HA LYS C 19 3.999 -10.907 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.114 -8.699 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS C 19 3.527 -9.155 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS C 19 2.636 -11.509 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS C 19 1.185 -10.958 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS C 19 0.785 -10.999 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS C 19 0.761 -9.338 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS C 19 3.107 -9.036 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS C 19 3.163 -10.707 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 2.726 -9.221 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 1.390 -10.237 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 1.336 -8.619 -7.211 1.00 0.00 H new ATOM 292 N LEU C 20 4.124 -7.969 -0.525 1.00 0.00 N ATOM 293 CA LEU C 20 5.026 -6.933 -0.055 1.00 0.00 C ATOM 294 C LEU C 20 5.852 -7.432 1.122 1.00 0.00 C ATOM 295 O LEU C 20 6.998 -7.026 1.307 1.00 0.00 O ATOM 296 CB LEU C 20 4.235 -5.688 0.329 1.00 0.00 C ATOM 297 CG LEU C 20 3.553 -4.977 -0.845 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.904 -3.685 -0.383 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.556 -4.703 -1.957 1.00 0.00 C ATOM 0 H LEU C 20 3.169 -7.887 -0.177 1.00 0.00 H new ATOM 0 HA LEU C 20 5.713 -6.675 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.475 -5.967 1.058 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.906 -4.985 0.822 1.00 0.00 H new ATOM 0 HG LEU C 20 2.774 -5.631 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.425 -3.195 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.156 -3.906 0.379 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.664 -3.025 0.035 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.055 -4.198 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.357 -4.069 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.975 -5.645 -2.309 1.00 0.00 H new ATOM 311 N ASN C 21 5.271 -8.320 1.911 1.00 0.00 N ATOM 312 CA ASN C 21 5.997 -8.978 2.987 1.00 0.00 C ATOM 313 C ASN C 21 6.783 -10.161 2.416 1.00 0.00 C ATOM 314 O ASN C 21 6.508 -11.323 2.726 1.00 0.00 O ATOM 315 CB ASN C 21 5.031 -9.443 4.089 1.00 0.00 C ATOM 316 CG ASN C 21 4.563 -8.313 4.999 1.00 0.00 C ATOM 317 OD1 ASN C 21 5.186 -8.031 6.018 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.459 -7.657 4.649 1.00 0.00 N ATOM 0 H ASN C 21 4.295 -8.603 1.827 1.00 0.00 H new ATOM 0 HA ASN C 21 6.694 -8.270 3.436 1.00 0.00 H new ATOM 0 HB2 ASN C 21 4.162 -9.911 3.627 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.521 -10.207 4.693 1.00 0.00 H new ATOM 0 HD21 ASN C 21 3.110 -6.898 5.234 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.962 -7.914 3.796 1.00 0.00 H new ATOM 325 N LYS C 22 7.755 -9.846 1.563 1.00 0.00 N ATOM 326 CA LYS C 22 8.501 -10.862 0.817 1.00 0.00 C ATOM 327 C LYS C 22 9.816 -11.255 1.493 1.00 0.00 C ATOM 328 O LYS C 22 10.327 -12.350 1.267 1.00 0.00 O ATOM 329 CB LYS C 22 8.772 -10.398 -0.627 1.00 0.00 C ATOM 330 CG LYS C 22 8.820 -8.881 -0.839 1.00 0.00 C ATOM 331 CD LYS C 22 9.930 -8.192 -0.051 1.00 0.00 C ATOM 332 CE LYS C 22 10.087 -6.730 -0.465 1.00 0.00 C ATOM 333 NZ LYS C 22 8.777 -6.021 -0.545 1.00 0.00 N1+ ATOM 0 H LYS C 22 8.048 -8.888 1.369 1.00 0.00 H new ATOM 0 HA LYS C 22 7.868 -11.749 0.800 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.722 -10.822 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.999 -10.813 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.957 -8.674 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.860 -8.451 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS C 22 9.709 -8.248 1.015 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.871 -8.719 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.731 -6.219 0.251 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.584 -6.680 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 8.632 -5.668 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.010 -6.679 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.774 -5.221 0.119 1.00 0.00 H new ATOM 347 N GLY C 23 10.358 -10.369 2.311 1.00 0.00 N ATOM 348 CA GLY C 23 11.633 -10.632 2.954 1.00 0.00 C ATOM 349 C GLY C 23 12.093 -9.437 3.746 1.00 0.00 C ATOM 350 O GLY C 23 11.980 -9.413 4.966 1.00 0.00 O ATOM 0 H GLY C 23 9.939 -9.469 2.544 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.541 -11.496 3.612 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.380 -10.883 2.201 1.00 0.00 H new ATOM 354 N LYS C 24 12.629 -8.449 3.058 1.00 0.00 N ATOM 355 CA LYS C 24 12.835 -7.146 3.647 1.00 0.00 C ATOM 356 C LYS C 24 11.696 -6.247 3.216 1.00 0.00 C ATOM 357 O LYS C 24 10.741 -6.729 2.607 1.00 0.00 O ATOM 358 CB LYS C 24 14.167 -6.558 3.191 1.00 0.00 C ATOM 359 CG LYS C 24 14.709 -5.480 4.107 1.00 0.00 C ATOM 360 CD LYS C 24 16.214 -5.517 4.123 1.00 0.00 C ATOM 361 CE LYS C 24 16.823 -5.178 2.778 1.00 0.00 C ATOM 362 NZ LYS C 24 18.303 -5.282 2.814 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.930 -8.527 2.087 1.00 0.00 H new ATOM 0 HA LYS C 24 12.859 -7.231 4.733 1.00 0.00 H new ATOM 0 HB2 LYS C 24 14.901 -7.361 3.117 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.046 -6.143 2.190 1.00 0.00 H new ATOM 0 HG2 LYS C 24 14.366 -4.501 3.771 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.324 -5.624 5.117 1.00 0.00 H new ATOM 0 HD2 LYS C 24 16.582 -4.815 4.871 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.545 -6.510 4.427 1.00 0.00 H new ATOM 0 HE2 LYS C 24 16.428 -5.851 2.017 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.534 -4.167 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.714 -4.620 2.125 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.644 -5.046 3.768 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 18.589 -6.253 2.574 1.00 0.00 H new ATOM 376 N GLY C 25 11.810 -4.970 3.554 1.00 0.00 N ATOM 377 CA GLY C 25 10.884 -3.936 3.093 1.00 0.00 C ATOM 378 C GLY C 25 9.460 -4.377 2.895 1.00 0.00 C ATOM 379 O GLY C 25 9.080 -4.816 1.810 1.00 0.00 O ATOM 0 H GLY C 25 12.551 -4.617 4.159 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.895 -3.118 3.813 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.256 -3.536 2.150 1.00 0.00 H new ATOM 383 N LYS C 26 8.653 -4.220 3.909 1.00 0.00 N ATOM 384 CA LYS C 26 7.306 -4.748 3.847 1.00 0.00 C ATOM 385 C LYS C 26 6.259 -3.726 4.256 1.00 0.00 C ATOM 386 O LYS C 26 6.427 -2.995 5.232 1.00 0.00 O ATOM 387 CB LYS C 26 7.242 -5.991 4.708 1.00 0.00 C ATOM 388 CG LYS C 26 7.705 -5.756 6.131 1.00 0.00 C ATOM 389 CD LYS C 26 8.292 -7.014 6.735 1.00 0.00 C ATOM 390 CE LYS C 26 9.472 -7.523 5.926 1.00 0.00 C ATOM 391 NZ LYS C 26 10.208 -8.579 6.664 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.893 -3.740 4.777 1.00 0.00 H new ATOM 0 HA LYS C 26 7.073 -5.002 2.813 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.217 -6.362 4.723 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.857 -6.770 4.257 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.451 -4.961 6.146 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.865 -5.417 6.737 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.611 -6.813 7.758 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.525 -7.786 6.786 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.120 -7.918 4.973 1.00 0.00 H new ATOM 0 HE3 LYS C 26 10.145 -6.696 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 11.099 -8.790 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.415 -8.249 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.626 -9.440 6.710 1.00 0.00 H new ATOM 405 N LEU C 27 5.180 -3.688 3.488 1.00 0.00 N ATOM 406 CA LEU C 27 4.087 -2.763 3.726 1.00 0.00 C ATOM 407 C LEU C 27 2.820 -3.544 4.061 1.00 0.00 C ATOM 408 O LEU C 27 2.390 -4.396 3.287 1.00 0.00 O ATOM 409 CB LEU C 27 3.868 -1.890 2.481 1.00 0.00 C ATOM 410 CG LEU C 27 2.951 -0.684 2.672 1.00 0.00 C ATOM 411 CD1 LEU C 27 3.502 0.234 3.745 1.00 0.00 C ATOM 412 CD2 LEU C 27 2.790 0.069 1.360 1.00 0.00 C ATOM 0 H LEU C 27 5.040 -4.298 2.683 1.00 0.00 H new ATOM 0 HA LEU C 27 4.332 -2.115 4.568 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.838 -1.534 2.134 1.00 0.00 H new ATOM 0 HB3 LEU C 27 3.456 -2.515 1.689 1.00 0.00 H new ATOM 0 HG LEU C 27 1.971 -1.039 2.991 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.837 1.089 3.869 1.00 0.00 H new ATOM 0 HD12 LEU C 27 3.574 -0.310 4.687 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.492 0.584 3.451 1.00 0.00 H new ATOM 0 HD21 LEU C 27 2.134 0.926 1.511 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.765 0.414 1.017 1.00 0.00 H new ATOM 0 HD23 LEU C 27 2.355 -0.593 0.611 1.00 0.00 H new ATOM 424 N SER C 28 2.250 -3.276 5.225 1.00 0.00 N ATOM 425 CA SER C 28 1.042 -3.964 5.661 1.00 0.00 C ATOM 426 C SER C 28 -0.160 -3.016 5.602 1.00 0.00 C ATOM 427 O SER C 28 -0.305 -2.142 6.456 1.00 0.00 O ATOM 428 CB SER C 28 1.242 -4.478 7.084 1.00 0.00 C ATOM 429 OG SER C 28 2.453 -5.215 7.181 1.00 0.00 O ATOM 0 H SER C 28 2.604 -2.586 5.887 1.00 0.00 H new ATOM 0 HA SER C 28 0.846 -4.806 4.997 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.263 -3.640 7.780 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.401 -5.110 7.370 1.00 0.00 H new ATOM 0 HG SER C 28 2.568 -5.536 8.100 1.00 0.00 H new ATOM 435 N LEU C 29 -1.006 -3.194 4.597 1.00 0.00 N ATOM 436 CA LEU C 29 -2.119 -2.288 4.333 1.00 0.00 C ATOM 437 C LEU C 29 -3.323 -2.596 5.196 1.00 0.00 C ATOM 438 O LEU C 29 -3.675 -3.761 5.399 1.00 0.00 O ATOM 439 CB LEU C 29 -2.548 -2.372 2.862 1.00 0.00 C ATOM 440 CG LEU C 29 -1.469 -2.101 1.808 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.553 -0.974 2.238 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.665 -3.351 1.486 1.00 0.00 C ATOM 0 H LEU C 29 -0.941 -3.971 3.940 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.763 -1.285 4.569 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.954 -3.368 2.683 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.361 -1.663 2.705 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.984 -1.796 0.897 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.202 -0.805 1.470 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -1.137 -0.064 2.379 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -0.064 -1.240 3.175 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.089 -3.115 0.735 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -0.175 -3.712 2.391 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -1.331 -4.123 1.101 1.00 0.00 H new ATOM 454 N SER C 30 -3.956 -1.544 5.698 1.00 0.00 N ATOM 455 CA SER C 30 -5.239 -1.686 6.339 1.00 0.00 C ATOM 456 C SER C 30 -6.125 -0.485 6.007 1.00 0.00 C ATOM 457 O SER C 30 -5.699 0.666 6.142 1.00 0.00 O ATOM 458 CB SER C 30 -5.068 -1.841 7.854 1.00 0.00 C ATOM 459 OG SER C 30 -6.315 -2.035 8.500 1.00 0.00 O ATOM 0 H SER C 30 -3.597 -0.590 5.670 1.00 0.00 H new ATOM 0 HA SER C 30 -5.725 -2.587 5.963 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.413 -2.687 8.063 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.581 -0.954 8.259 1.00 0.00 H new ATOM 0 HG SER C 30 -6.172 -2.132 9.465 1.00 0.00 H new ATOM 465 N MET C 31 -7.346 -0.759 5.554 1.00 0.00 N ATOM 466 CA MET C 31 -8.282 0.292 5.162 1.00 0.00 C ATOM 467 C MET C 31 -9.638 0.059 5.813 1.00 0.00 C ATOM 468 O MET C 31 -10.216 -1.019 5.675 1.00 0.00 O ATOM 469 CB MET C 31 -8.467 0.322 3.640 1.00 0.00 C ATOM 470 CG MET C 31 -7.168 0.338 2.848 1.00 0.00 C ATOM 471 SD MET C 31 -7.436 0.517 1.073 1.00 0.00 S ATOM 472 CE MET C 31 -8.548 -0.850 0.743 1.00 0.00 C ATOM 0 H MET C 31 -7.712 -1.705 5.449 1.00 0.00 H new ATOM 0 HA MET C 31 -7.868 1.244 5.493 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.050 -0.549 3.340 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.051 1.203 3.375 1.00 0.00 H new ATOM 0 HG2 MET C 31 -6.542 1.158 3.201 1.00 0.00 H new ATOM 0 HG3 MET C 31 -6.621 -0.585 3.037 1.00 0.00 H new ATOM 0 HE1 MET C 31 -8.407 -1.195 -0.281 1.00 0.00 H new ATOM 0 HE2 MET C 31 -8.336 -1.667 1.433 1.00 0.00 H new ATOM 0 HE3 MET C 31 -9.579 -0.521 0.876 1.00 0.00 H new ATOM 482 N ASN C 32 -10.137 1.058 6.532 1.00 0.00 N ATOM 483 CA ASN C 32 -11.466 0.981 7.141 1.00 0.00 C ATOM 484 C ASN C 32 -12.108 2.363 7.208 1.00 0.00 C ATOM 485 O ASN C 32 -11.821 3.144 8.113 1.00 0.00 O ATOM 486 CB ASN C 32 -11.416 0.382 8.559 1.00 0.00 C ATOM 487 CG ASN C 32 -11.017 -1.082 8.585 1.00 0.00 C ATOM 488 OD1 ASN C 32 -11.850 -1.971 8.401 1.00 0.00 O ATOM 489 ND2 ASN C 32 -9.744 -1.349 8.844 1.00 0.00 N ATOM 0 H ASN C 32 -9.643 1.933 6.709 1.00 0.00 H new ATOM 0 HA ASN C 32 -12.064 0.325 6.509 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -10.710 0.953 9.161 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -12.395 0.492 9.026 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -9.426 -2.317 8.896 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -9.083 -0.586 8.991 1.00 0.00 H new ATOM 496 N GLY C 33 -12.955 2.668 6.234 1.00 0.00 N ATOM 497 CA GLY C 33 -13.719 3.905 6.268 1.00 0.00 C ATOM 498 C GLY C 33 -12.887 5.139 5.957 1.00 0.00 C ATOM 499 O GLY C 33 -12.695 5.482 4.793 1.00 0.00 O ATOM 0 H GLY C 33 -13.129 2.081 5.418 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.537 3.838 5.551 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.168 4.018 7.255 1.00 0.00 H new ATOM 503 N ASN C 34 -12.387 5.804 6.993 1.00 0.00 N ATOM 504 CA ASN C 34 -11.649 7.053 6.824 1.00 0.00 C ATOM 505 C ASN C 34 -10.236 6.900 7.384 1.00 0.00 C ATOM 506 O ASN C 34 -9.647 7.844 7.910 1.00 0.00 O ATOM 507 CB ASN C 34 -12.379 8.208 7.521 1.00 0.00 C ATOM 508 CG ASN C 34 -12.011 9.584 6.972 1.00 0.00 C ATOM 509 OD1 ASN C 34 -10.790 9.748 6.482 1.00 0.00 O flip ATOM 510 ND2 ASN C 34 -12.833 10.501 6.988 1.00 0.00 N flip ATOM 0 H ASN C 34 -12.479 5.499 7.962 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.585 7.283 5.760 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.454 8.061 7.419 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -12.153 8.179 8.587 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -13.765 10.344 7.372 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -12.582 11.418 6.617 1.00 0.00 H new ATOM 517 N GLN C 35 -9.698 5.702 7.284 1.00 0.00 N ATOM 518 CA GLN C 35 -8.382 5.429 7.829 1.00 0.00 C ATOM 519 C GLN C 35 -7.472 4.776 6.797 1.00 0.00 C ATOM 520 O GLN C 35 -7.883 3.881 6.057 1.00 0.00 O ATOM 521 CB GLN C 35 -8.487 4.505 9.044 1.00 0.00 C ATOM 522 CG GLN C 35 -8.656 3.042 8.666 1.00 0.00 C ATOM 523 CD GLN C 35 -8.765 2.120 9.865 1.00 0.00 C ATOM 524 OE1 GLN C 35 -8.329 0.971 9.814 1.00 0.00 O ATOM 525 NE2 GLN C 35 -9.358 2.604 10.943 1.00 0.00 N ATOM 0 H GLN C 35 -10.148 4.905 6.833 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.953 6.387 8.123 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -7.592 4.615 9.656 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -9.332 4.816 9.658 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -9.550 2.934 8.051 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -7.809 2.732 8.054 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -9.707 3.563 10.946 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -9.467 2.019 11.771 1.00 0.00 H new ATOM 534 N LEU C 36 -6.243 5.237 6.745 1.00 0.00 N ATOM 535 CA LEU C 36 -5.194 4.505 6.068 1.00 0.00 C ATOM 536 C LEU C 36 -4.026 4.428 7.021 1.00 0.00 C ATOM 537 O LEU C 36 -3.506 5.453 7.453 1.00 0.00 O ATOM 538 CB LEU C 36 -4.771 5.167 4.743 1.00 0.00 C ATOM 539 CG LEU C 36 -4.082 4.243 3.712 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.803 3.636 4.261 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.029 3.141 3.266 1.00 0.00 C ATOM 0 H LEU C 36 -5.944 6.117 7.164 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.557 3.513 5.800 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.656 5.601 4.278 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.095 5.991 4.971 1.00 0.00 H new ATOM 0 HG LEU C 36 -3.817 4.859 2.853 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.351 2.994 3.505 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.106 4.432 4.525 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.032 3.046 5.148 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.527 2.501 2.541 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.328 2.546 4.129 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -5.913 3.584 2.808 1.00 0.00 H new ATOM 553 N LYS C 37 -3.658 3.222 7.387 1.00 0.00 N ATOM 554 CA LYS C 37 -2.514 3.007 8.241 1.00 0.00 C ATOM 555 C LYS C 37 -1.847 1.706 7.821 1.00 0.00 C ATOM 556 O LYS C 37 -2.342 0.610 8.077 1.00 0.00 O ATOM 557 CB LYS C 37 -2.940 2.982 9.721 1.00 0.00 C ATOM 558 CG LYS C 37 -4.235 2.221 10.008 1.00 0.00 C ATOM 559 CD LYS C 37 -3.971 0.814 10.524 1.00 0.00 C ATOM 560 CE LYS C 37 -5.268 0.079 10.833 1.00 0.00 C ATOM 561 NZ LYS C 37 -6.009 0.702 11.960 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.139 2.369 7.104 1.00 0.00 H new ATOM 0 HA LYS C 37 -1.801 3.824 8.136 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.137 2.536 10.307 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.055 4.009 10.068 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -4.823 2.771 10.742 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -4.832 2.167 9.098 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.403 0.254 9.781 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -3.357 0.865 11.423 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -5.900 0.071 9.945 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -5.046 -0.960 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -6.179 -0.010 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -5.448 1.484 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -6.920 1.069 11.616 1.00 0.00 H new ATOM 575 N ALA C 38 -0.754 1.848 7.118 1.00 0.00 N ATOM 576 CA ALA C 38 0.044 0.728 6.694 1.00 0.00 C ATOM 577 C ALA C 38 1.343 0.720 7.466 1.00 0.00 C ATOM 578 O ALA C 38 2.061 1.719 7.494 1.00 0.00 O ATOM 579 CB ALA C 38 0.307 0.807 5.199 1.00 0.00 C ATOM 0 H ALA C 38 -0.389 2.753 6.821 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.493 -0.199 6.894 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.912 -0.046 4.890 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.641 0.793 4.662 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.839 1.731 4.972 1.00 0.00 H new ATOM 585 N THR C 39 1.647 -0.399 8.086 1.00 0.00 N ATOM 586 CA THR C 39 2.828 -0.487 8.911 1.00 0.00 C ATOM 587 C THR C 39 3.965 -1.092 8.119 1.00 0.00 C ATOM 588 O THR C 39 3.776 -2.050 7.362 1.00 0.00 O ATOM 589 CB THR C 39 2.575 -1.338 10.168 1.00 0.00 C ATOM 590 OG1 THR C 39 2.228 -2.669 9.774 1.00 0.00 O ATOM 591 CG2 THR C 39 1.459 -0.745 11.018 1.00 0.00 C ATOM 0 H THR C 39 1.095 -1.255 8.034 1.00 0.00 H new ATOM 0 HA THR C 39 3.089 0.523 9.226 1.00 0.00 H new ATOM 0 HB THR C 39 3.485 -1.352 10.768 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.068 -3.215 10.572 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.303 -1.367 11.899 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.735 0.262 11.330 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.539 -0.705 10.434 1.00 0.00 H new ATOM 599 N SER C 40 5.136 -0.523 8.282 1.00 0.00 N ATOM 600 CA SER C 40 6.310 -1.003 7.598 1.00 0.00 C ATOM 601 C SER C 40 7.238 -1.670 8.588 1.00 0.00 C ATOM 602 O SER C 40 7.739 -1.035 9.518 1.00 0.00 O ATOM 603 CB SER C 40 7.012 0.159 6.899 1.00 0.00 C ATOM 604 OG SER C 40 7.247 1.232 7.795 1.00 0.00 O ATOM 0 H SER C 40 5.300 0.280 8.889 1.00 0.00 H new ATOM 0 HA SER C 40 6.020 -1.735 6.845 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.959 -0.183 6.482 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.403 0.506 6.064 1.00 0.00 H new ATOM 0 HG SER C 40 7.521 0.877 8.666 1.00 0.00 H new ATOM 610 N SER C 41 7.467 -2.950 8.385 1.00 0.00 N ATOM 611 CA SER C 41 8.309 -3.700 9.279 1.00 0.00 C ATOM 612 C SER C 41 9.676 -3.898 8.640 1.00 0.00 C ATOM 613 O SER C 41 9.871 -3.550 7.462 1.00 0.00 O ATOM 614 CB SER C 41 7.644 -5.031 9.643 1.00 0.00 C ATOM 615 OG SER C 41 8.355 -5.708 10.665 1.00 0.00 O ATOM 0 H SER C 41 7.081 -3.488 7.609 1.00 0.00 H new ATOM 0 HA SER C 41 8.449 -3.147 10.208 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.620 -4.849 9.970 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.588 -5.664 8.758 1.00 0.00 H new ATOM 0 HG SER C 41 7.903 -6.552 10.874 1.00 0.00 H new ATOM 621 N ASN C 42 10.594 -4.471 9.417 1.00 0.00 N ATOM 622 CA ASN C 42 12.016 -4.488 9.092 1.00 0.00 C ATOM 623 C ASN C 42 12.595 -3.095 9.269 1.00 0.00 C ATOM 624 O ASN C 42 13.385 -2.625 8.458 1.00 0.00 O ATOM 625 CB ASN C 42 12.289 -5.031 7.684 1.00 0.00 C ATOM 626 CG ASN C 42 13.422 -6.039 7.669 1.00 0.00 C ATOM 627 OD1 ASN C 42 14.558 -5.704 7.341 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.132 -7.269 8.059 1.00 0.00 N ATOM 0 H ASN C 42 10.369 -4.939 10.295 1.00 0.00 H new ATOM 0 HA ASN C 42 12.511 -5.172 9.781 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.384 -5.498 7.295 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.532 -4.203 7.018 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.864 -7.978 8.095 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.176 -7.508 8.324 1.00 0.00 H new ATOM 635 N ALA C 43 12.134 -2.432 10.330 1.00 0.00 N ATOM 636 CA ALA C 43 12.673 -1.146 10.772 1.00 0.00 C ATOM 637 C ALA C 43 12.593 -0.069 9.693 1.00 0.00 C ATOM 638 O ALA C 43 13.393 0.868 9.679 1.00 0.00 O ATOM 639 CB ALA C 43 14.103 -1.318 11.249 1.00 0.00 C ATOM 0 H ALA C 43 11.370 -2.776 10.911 1.00 0.00 H new ATOM 0 HA ALA C 43 12.052 -0.804 11.600 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.496 -0.355 11.576 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.127 -2.021 12.081 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.715 -1.701 10.433 1.00 0.00 H new ATOM 645 N GLY C 44 11.629 -0.203 8.794 1.00 0.00 N ATOM 646 CA GLY C 44 11.433 0.801 7.766 1.00 0.00 C ATOM 647 C GLY C 44 12.418 0.678 6.621 1.00 0.00 C ATOM 648 O GLY C 44 12.445 1.532 5.734 1.00 0.00 O ATOM 0 H GLY C 44 10.979 -0.988 8.757 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.419 0.720 7.375 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.524 1.792 8.212 1.00 0.00 H new ATOM 652 N TYR C 45 13.233 -0.378 6.643 1.00 0.00 N ATOM 653 CA TYR C 45 14.183 -0.631 5.566 1.00 0.00 C ATOM 654 C TYR C 45 13.449 -0.928 4.271 1.00 0.00 C ATOM 655 O TYR C 45 12.294 -1.356 4.280 1.00 0.00 O ATOM 656 CB TYR C 45 15.105 -1.808 5.896 1.00 0.00 C ATOM 657 CG TYR C 45 16.236 -1.473 6.852 1.00 0.00 C ATOM 658 CD1 TYR C 45 17.344 -0.763 6.407 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.213 -1.879 8.184 1.00 0.00 C ATOM 660 CE1 TYR C 45 18.393 -0.468 7.255 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.257 -1.582 9.037 1.00 0.00 C ATOM 662 CZ TYR C 45 18.343 -0.879 8.568 1.00 0.00 C ATOM 663 OH TYR C 45 19.390 -0.598 9.416 1.00 0.00 O ATOM 0 H TYR C 45 13.252 -1.068 7.394 1.00 0.00 H new ATOM 0 HA TYR C 45 14.789 0.268 5.451 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.508 -2.611 6.327 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.531 -2.190 4.969 1.00 0.00 H new ATOM 0 HD1 TYR C 45 17.386 -0.436 5.379 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.365 -2.435 8.556 1.00 0.00 H new ATOM 0 HE1 TYR C 45 19.248 0.082 6.890 1.00 0.00 H new ATOM 0 HE2 TYR C 45 17.222 -1.900 10.068 1.00 0.00 H new ATOM 0 HH TYR C 45 19.195 -0.957 10.307 1.00 0.00 H new ATOM 673 N GLY C 46 14.131 -0.699 3.162 1.00 0.00 N ATOM 674 CA GLY C 46 13.548 -0.954 1.867 1.00 0.00 C ATOM 675 C GLY C 46 13.667 -2.405 1.455 1.00 0.00 C ATOM 676 O GLY C 46 13.992 -3.263 2.270 1.00 0.00 O ATOM 0 H GLY C 46 15.085 -0.338 3.137 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.496 -0.669 1.883 1.00 0.00 H new ATOM 0 HA3 GLY C 46 14.037 -0.327 1.122 1.00 0.00 H new ATOM 680 N ILE C 47 13.412 -2.664 0.182 1.00 0.00 N ATOM 681 CA ILE C 47 13.454 -4.014 -0.381 1.00 0.00 C ATOM 682 C ILE C 47 14.791 -4.672 -0.158 1.00 0.00 C ATOM 683 O ILE C 47 14.893 -5.721 0.476 1.00 0.00 O ATOM 684 CB ILE C 47 13.250 -3.977 -1.896 1.00 0.00 C ATOM 685 CG1 ILE C 47 11.994 -3.188 -2.246 1.00 0.00 C ATOM 686 CG2 ILE C 47 13.193 -5.384 -2.478 1.00 0.00 C ATOM 687 CD1 ILE C 47 10.809 -3.546 -1.377 1.00 0.00 C ATOM 0 H ILE C 47 13.168 -1.943 -0.497 1.00 0.00 H new ATOM 0 HA ILE C 47 12.662 -4.571 0.119 1.00 0.00 H new ATOM 0 HB ILE C 47 14.106 -3.471 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE C 47 12.202 -2.123 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE C 47 11.739 -3.367 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE C 47 13.047 -5.326 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE C 47 14.127 -5.904 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE C 47 12.364 -5.930 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.946 -2.951 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE C 47 10.578 -4.605 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE C 47 11.048 -3.341 -0.333 1.00 0.00 H new ATOM 699 N SER C 48 15.801 -4.050 -0.730 1.00 0.00 N ATOM 700 CA SER C 48 17.141 -4.569 -0.710 1.00 0.00 C ATOM 701 C SER C 48 18.040 -3.655 -1.539 1.00 0.00 C ATOM 702 O SER C 48 18.829 -2.879 -1.000 1.00 0.00 O ATOM 703 CB SER C 48 17.168 -6.009 -1.251 1.00 0.00 C ATOM 704 OG SER C 48 16.602 -6.084 -2.555 1.00 0.00 O ATOM 0 H SER C 48 15.708 -3.163 -1.225 1.00 0.00 H new ATOM 0 HA SER C 48 17.509 -4.596 0.316 1.00 0.00 H new ATOM 0 HB2 SER C 48 18.196 -6.370 -1.278 1.00 0.00 H new ATOM 0 HB3 SER C 48 16.617 -6.664 -0.575 1.00 0.00 H new ATOM 0 HG SER C 48 17.287 -6.375 -3.193 1.00 0.00 H new ATOM 710 N TYR C 49 17.889 -3.750 -2.854 1.00 0.00 N ATOM 711 CA TYR C 49 18.554 -2.852 -3.786 1.00 0.00 C ATOM 712 C TYR C 49 17.820 -2.879 -5.127 1.00 0.00 C ATOM 713 O TYR C 49 18.368 -2.515 -6.166 1.00 0.00 O ATOM 714 CB TYR C 49 20.022 -3.264 -3.964 1.00 0.00 C ATOM 715 CG TYR C 49 20.880 -2.200 -4.639 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.489 -2.426 -5.876 1.00 0.00 C ATOM 717 CD2 TYR C 49 21.077 -0.960 -4.036 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.261 -1.452 -6.479 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.848 0.014 -4.638 1.00 0.00 C ATOM 720 CZ TYR C 49 22.437 -0.236 -5.858 1.00 0.00 C ATOM 721 OH TYR C 49 23.209 0.735 -6.459 1.00 0.00 O ATOM 0 H TYR C 49 17.302 -4.452 -3.303 1.00 0.00 H new ATOM 0 HA TYR C 49 18.532 -1.837 -3.390 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.447 -3.494 -2.987 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.064 -4.180 -4.554 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.354 -3.378 -6.369 1.00 0.00 H new ATOM 0 HD2 TYR C 49 20.618 -0.757 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.725 -1.644 -7.435 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.989 0.969 -4.154 1.00 0.00 H new ATOM 0 HH TYR C 49 23.231 1.533 -5.891 1.00 0.00 H new ATOM 731 N GLU C 50 16.562 -3.304 -5.095 1.00 0.00 N ATOM 732 CA GLU C 50 15.779 -3.456 -6.314 1.00 0.00 C ATOM 733 C GLU C 50 14.600 -2.500 -6.319 1.00 0.00 C ATOM 734 O GLU C 50 13.967 -2.275 -5.288 1.00 0.00 O ATOM 735 CB GLU C 50 15.286 -4.894 -6.458 1.00 0.00 C ATOM 736 CG GLU C 50 16.402 -5.922 -6.409 1.00 0.00 C ATOM 737 CD GLU C 50 15.892 -7.336 -6.570 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.282 -7.864 -5.620 1.00 0.00 O ATOM 739 OE2 GLU C 50 16.097 -7.928 -7.649 1.00 0.00 O1- ATOM 0 H GLU C 50 16.064 -3.549 -4.239 1.00 0.00 H new ATOM 0 HA GLU C 50 16.423 -3.218 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.571 -5.106 -5.663 1.00 0.00 H new ATOM 0 HB3 GLU C 50 14.751 -4.994 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU C 50 17.124 -5.708 -7.197 1.00 0.00 H new ATOM 0 HG3 GLU C 50 16.930 -5.835 -5.460 1.00 0.00 H new ATOM 746 N ASP C 51 14.306 -1.957 -7.487 1.00 0.00 N ATOM 747 CA ASP C 51 13.291 -0.926 -7.616 1.00 0.00 C ATOM 748 C ASP C 51 11.987 -1.491 -8.140 1.00 0.00 C ATOM 749 O ASP C 51 11.973 -2.464 -8.898 1.00 0.00 O ATOM 750 CB ASP C 51 13.775 0.181 -8.558 1.00 0.00 C ATOM 751 CG ASP C 51 13.920 -0.291 -9.993 1.00 0.00 C ATOM 752 OD1 ASP C 51 13.040 0.030 -10.823 1.00 0.00 O ATOM 753 OD2 ASP C 51 14.907 -0.999 -10.297 1.00 0.00 O1- ATOM 0 H ASP C 51 14.758 -2.214 -8.364 1.00 0.00 H new ATOM 0 HA ASP C 51 13.116 -0.515 -6.622 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.073 1.014 -8.523 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.735 0.558 -8.205 1.00 0.00 H new ATOM 758 N LYS C 52 10.889 -0.878 -7.722 1.00 0.00 N ATOM 759 CA LYS C 52 9.585 -1.217 -8.245 1.00 0.00 C ATOM 760 C LYS C 52 8.854 0.050 -8.596 1.00 0.00 C ATOM 761 O LYS C 52 8.996 1.074 -7.923 1.00 0.00 O ATOM 762 CB LYS C 52 8.729 -1.978 -7.239 1.00 0.00 C ATOM 763 CG LYS C 52 9.496 -2.944 -6.376 1.00 0.00 C ATOM 764 CD LYS C 52 9.917 -4.186 -7.127 1.00 0.00 C ATOM 765 CE LYS C 52 9.959 -5.384 -6.194 1.00 0.00 C ATOM 766 NZ LYS C 52 8.625 -5.659 -5.586 1.00 0.00 N1+ ATOM 0 H LYS C 52 10.882 -0.140 -7.018 1.00 0.00 H new ATOM 0 HA LYS C 52 9.745 -1.854 -9.115 1.00 0.00 H new ATOM 0 HB2 LYS C 52 8.220 -1.260 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS C 52 7.956 -2.526 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS C 52 10.381 -2.447 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS C 52 8.881 -3.231 -5.523 1.00 0.00 H new ATOM 0 HD2 LYS C 52 9.221 -4.378 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS C 52 10.899 -4.032 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS C 52 10.295 -6.262 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS C 52 10.688 -5.204 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 8.747 -5.925 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 8.033 -4.806 -5.647 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 8.164 -6.438 -6.098 1.00 0.00 H new ATOM 780 N ASN C 53 8.064 -0.042 -9.629 1.00 0.00 N ATOM 781 CA ASN C 53 7.231 1.057 -10.064 1.00 0.00 C ATOM 782 C ASN C 53 5.840 0.876 -9.481 1.00 0.00 C ATOM 783 O ASN C 53 5.036 0.090 -9.972 1.00 0.00 O ATOM 784 CB ASN C 53 7.240 1.113 -11.593 1.00 0.00 C ATOM 785 CG ASN C 53 6.173 1.997 -12.190 1.00 0.00 C ATOM 786 OD1 ASN C 53 6.318 3.216 -12.258 1.00 0.00 O ATOM 787 ND2 ASN C 53 5.126 1.376 -12.680 1.00 0.00 N ATOM 0 H ASN C 53 7.975 -0.883 -10.199 1.00 0.00 H new ATOM 0 HA ASN C 53 7.610 2.014 -9.706 1.00 0.00 H new ATOM 0 HB2 ASN C 53 8.216 1.467 -11.926 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.117 0.102 -11.982 1.00 0.00 H new ATOM 0 HD21 ASN C 53 4.388 1.907 -13.142 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.050 0.362 -12.599 1.00 0.00 H new ATOM 794 N TRP C 54 5.588 1.593 -8.395 1.00 0.00 N ATOM 795 CA TRP C 54 4.432 1.347 -7.547 1.00 0.00 C ATOM 796 C TRP C 54 3.308 2.354 -7.756 1.00 0.00 C ATOM 797 O TRP C 54 3.533 3.415 -8.329 1.00 0.00 O ATOM 798 CB TRP C 54 4.886 1.400 -6.107 1.00 0.00 C ATOM 799 CG TRP C 54 4.629 0.131 -5.400 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.476 -0.912 -5.207 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.403 -0.224 -4.822 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.828 -1.910 -4.514 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.539 -1.498 -4.263 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.203 0.442 -4.723 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.483 -2.122 -3.610 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.166 -0.157 -4.084 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.306 -1.434 -3.529 1.00 0.00 C ATOM 0 H TRP C 54 6.179 2.361 -8.078 1.00 0.00 H new ATOM 0 HA TRP C 54 4.028 0.369 -7.810 1.00 0.00 H new ATOM 0 HB2 TRP C 54 5.952 1.626 -6.071 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.371 2.212 -5.594 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.501 -0.953 -5.545 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.234 -2.803 -4.234 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.088 1.428 -5.148 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.589 -3.109 -3.185 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.221 0.359 -4.003 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.464 -1.886 -3.025 1.00 0.00 H new ATOM 818 N GLY C 55 2.092 2.036 -7.271 1.00 0.00 N ATOM 819 CA GLY C 55 1.002 2.961 -7.435 1.00 0.00 C ATOM 820 C GLY C 55 -0.124 2.813 -6.431 1.00 0.00 C ATOM 821 O GLY C 55 -0.457 1.715 -5.995 1.00 0.00 O ATOM 0 H GLY C 55 1.864 1.171 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.394 3.976 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.592 2.841 -8.438 1.00 0.00 H new ATOM 825 N ILE C 56 -0.693 3.942 -6.049 1.00 0.00 N ATOM 826 CA ILE C 56 -1.932 3.961 -5.287 1.00 0.00 C ATOM 827 C ILE C 56 -3.006 4.690 -6.081 1.00 0.00 C ATOM 828 O ILE C 56 -2.804 5.832 -6.500 1.00 0.00 O ATOM 829 CB ILE C 56 -1.768 4.657 -3.916 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.793 3.889 -3.029 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.115 4.786 -3.217 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.664 4.151 -3.331 1.00 0.00 C ATOM 0 H ILE C 56 -0.314 4.866 -6.255 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.217 2.924 -5.107 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.365 5.654 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.988 4.146 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -0.987 2.822 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -2.979 5.278 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.790 5.378 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.540 3.795 -3.061 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.287 3.565 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.879 3.866 -4.361 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.879 5.211 -3.196 1.00 0.00 H new ATOM 844 N PHE C 57 -4.135 4.033 -6.304 1.00 0.00 N ATOM 845 CA PHE C 57 -5.240 4.653 -7.023 1.00 0.00 C ATOM 846 C PHE C 57 -6.515 4.570 -6.196 1.00 0.00 C ATOM 847 O PHE C 57 -6.652 3.704 -5.345 1.00 0.00 O ATOM 848 CB PHE C 57 -5.494 3.970 -8.377 1.00 0.00 C ATOM 849 CG PHE C 57 -4.260 3.633 -9.171 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.518 2.497 -8.881 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.859 4.437 -10.224 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.400 2.173 -9.621 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.738 4.118 -10.967 1.00 0.00 C ATOM 854 CZ PHE C 57 -2.010 2.984 -10.666 1.00 0.00 C ATOM 0 H PHE C 57 -4.310 3.075 -5.999 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.965 5.693 -7.199 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -6.055 3.052 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.127 4.621 -8.980 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -3.820 1.858 -8.065 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.428 5.322 -10.467 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -1.831 1.286 -9.383 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.432 4.756 -11.783 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.136 2.732 -11.248 1.00 0.00 H new ATOM 864 N VAL C 58 -7.439 5.479 -6.438 1.00 0.00 N ATOM 865 CA VAL C 58 -8.775 5.376 -5.873 1.00 0.00 C ATOM 866 C VAL C 58 -9.802 5.510 -6.992 1.00 0.00 C ATOM 867 O VAL C 58 -9.846 6.528 -7.686 1.00 0.00 O ATOM 868 CB VAL C 58 -9.028 6.423 -4.758 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.794 7.837 -5.261 1.00 0.00 C ATOM 870 CG2 VAL C 58 -10.433 6.282 -4.191 1.00 0.00 C ATOM 0 H VAL C 58 -7.291 6.301 -7.024 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.871 4.398 -5.400 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.313 6.231 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.980 8.546 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.763 7.936 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.471 8.045 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -10.587 7.027 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -11.163 6.433 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -10.557 5.284 -3.770 1.00 0.00 H new ATOM 880 N ASN C 59 -10.592 4.457 -7.197 1.00 0.00 N ATOM 881 CA ASN C 59 -11.522 4.389 -8.330 1.00 0.00 C ATOM 882 C ASN C 59 -10.769 4.488 -9.656 1.00 0.00 C ATOM 883 O ASN C 59 -11.327 4.906 -10.670 1.00 0.00 O ATOM 884 CB ASN C 59 -12.572 5.505 -8.256 1.00 0.00 C ATOM 885 CG ASN C 59 -13.538 5.335 -7.104 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.290 5.813 -6.000 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.649 4.665 -7.355 1.00 0.00 N ATOM 0 H ASN C 59 -10.608 3.635 -6.593 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.030 3.426 -8.276 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -12.066 6.466 -8.160 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.132 5.532 -9.191 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -15.340 4.528 -6.617 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.816 4.284 -8.287 1.00 0.00 H new ATOM 894 N GLY C 60 -9.497 4.106 -9.642 1.00 0.00 N ATOM 895 CA GLY C 60 -8.680 4.208 -10.835 1.00 0.00 C ATOM 896 C GLY C 60 -8.141 5.611 -11.047 1.00 0.00 C ATOM 897 O GLY C 60 -8.058 6.087 -12.177 1.00 0.00 O ATOM 0 H GLY C 60 -9.018 3.727 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -7.847 3.508 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.270 3.913 -11.703 1.00 0.00 H new ATOM 901 N GLU C 61 -7.795 6.279 -9.956 1.00 0.00 N ATOM 902 CA GLU C 61 -7.235 7.625 -10.014 1.00 0.00 C ATOM 903 C GLU C 61 -6.014 7.718 -9.106 1.00 0.00 C ATOM 904 O GLU C 61 -6.072 7.309 -7.948 1.00 0.00 O ATOM 905 CB GLU C 61 -8.287 8.647 -9.582 1.00 0.00 C ATOM 906 CG GLU C 61 -7.821 10.089 -9.687 1.00 0.00 C ATOM 907 CD GLU C 61 -7.434 10.471 -11.097 1.00 0.00 C ATOM 908 OE1 GLU C 61 -6.244 10.752 -11.335 1.00 0.00 O ATOM 909 OE2 GLU C 61 -8.314 10.476 -11.981 1.00 0.00 O1- ATOM 0 H GLU C 61 -7.893 5.908 -9.011 1.00 0.00 H new ATOM 0 HA GLU C 61 -6.933 7.841 -11.039 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.179 8.518 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.577 8.443 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.615 10.750 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -6.968 10.241 -9.026 1.00 0.00 H new ATOM 916 N LYS C 62 -4.921 8.256 -9.637 1.00 0.00 N ATOM 917 CA LYS C 62 -3.665 8.360 -8.897 1.00 0.00 C ATOM 918 C LYS C 62 -3.827 9.105 -7.577 1.00 0.00 C ATOM 919 O LYS C 62 -4.313 10.237 -7.539 1.00 0.00 O ATOM 920 CB LYS C 62 -2.602 9.070 -9.735 1.00 0.00 C ATOM 921 CG LYS C 62 -1.878 8.174 -10.724 1.00 0.00 C ATOM 922 CD LYS C 62 -1.087 7.084 -10.017 1.00 0.00 C ATOM 923 CE LYS C 62 -0.043 6.471 -10.938 1.00 0.00 C ATOM 924 NZ LYS C 62 1.053 7.430 -11.243 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.879 8.630 -10.585 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.352 7.339 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.074 9.886 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.868 9.517 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -2.601 7.719 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -1.204 8.775 -11.335 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.598 7.500 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -1.767 6.307 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.374 5.578 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.518 6.154 -11.866 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.771 6.961 -11.831 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 0.666 8.248 -11.755 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.489 7.752 -10.356 1.00 0.00 H new ATOM 938 N VAL C 63 -3.426 8.447 -6.501 1.00 0.00 N ATOM 939 CA VAL C 63 -3.345 9.073 -5.193 1.00 0.00 C ATOM 940 C VAL C 63 -1.888 9.347 -4.847 1.00 0.00 C ATOM 941 O VAL C 63 -1.527 10.455 -4.448 1.00 0.00 O ATOM 942 CB VAL C 63 -3.961 8.193 -4.098 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.894 8.878 -2.740 1.00 0.00 C ATOM 944 CG2 VAL C 63 -5.392 7.821 -4.443 1.00 0.00 C ATOM 0 H VAL C 63 -3.148 7.466 -6.511 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.909 10.004 -5.239 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.375 7.275 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.338 8.231 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -2.853 9.075 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -4.443 9.819 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -5.807 7.197 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -5.990 8.727 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -5.408 7.271 -5.384 1.00 0.00 H new ATOM 954 N TYR C 64 -1.056 8.325 -5.014 1.00 0.00 N ATOM 955 CA TYR C 64 0.370 8.433 -4.747 1.00 0.00 C ATOM 956 C TYR C 64 1.129 7.392 -5.570 1.00 0.00 C ATOM 957 O TYR C 64 0.587 6.340 -5.895 1.00 0.00 O ATOM 958 CB TYR C 64 0.636 8.245 -3.246 1.00 0.00 C ATOM 959 CG TYR C 64 2.091 8.373 -2.847 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.772 7.297 -2.294 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.783 9.567 -3.023 1.00 0.00 C ATOM 962 CE1 TYR C 64 4.099 7.403 -1.930 1.00 0.00 C ATOM 963 CE2 TYR C 64 4.112 9.680 -2.661 1.00 0.00 C ATOM 964 CZ TYR C 64 4.765 8.595 -2.115 1.00 0.00 C ATOM 965 OH TYR C 64 6.089 8.701 -1.759 1.00 0.00 O ATOM 0 H TYR C 64 -1.351 7.403 -5.337 1.00 0.00 H new ATOM 0 HA TYR C 64 0.721 9.424 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR C 64 0.054 8.981 -2.691 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.275 7.261 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR C 64 2.254 6.361 -2.146 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.274 10.419 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.613 6.555 -1.502 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.636 10.613 -2.805 1.00 0.00 H new ATOM 0 HH TYR C 64 6.409 9.606 -1.955 1.00 0.00 H new ATOM 975 N THR C 65 2.364 7.706 -5.929 1.00 0.00 N ATOM 976 CA THR C 65 3.198 6.803 -6.714 1.00 0.00 C ATOM 977 C THR C 65 4.606 6.771 -6.111 1.00 0.00 C ATOM 978 O THR C 65 5.136 7.822 -5.753 1.00 0.00 O ATOM 979 CB THR C 65 3.272 7.292 -8.177 1.00 0.00 C ATOM 980 OG1 THR C 65 1.953 7.581 -8.657 1.00 0.00 O ATOM 981 CG2 THR C 65 3.928 6.262 -9.082 1.00 0.00 C ATOM 0 H THR C 65 2.816 8.588 -5.687 1.00 0.00 H new ATOM 0 HA THR C 65 2.766 5.802 -6.697 1.00 0.00 H new ATOM 0 HB THR C 65 3.883 8.194 -8.196 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.834 8.552 -8.722 1.00 0.00 H new ATOM 0 HG21 THR C 65 3.961 6.643 -10.103 1.00 0.00 H new ATOM 0 HG22 THR C 65 4.942 6.066 -8.735 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.351 5.337 -9.059 1.00 0.00 H new ATOM 989 N PHE C 66 5.222 5.593 -5.984 1.00 0.00 N ATOM 990 CA PHE C 66 6.517 5.518 -5.307 1.00 0.00 C ATOM 991 C PHE C 66 7.371 4.352 -5.793 1.00 0.00 C ATOM 992 O PHE C 66 6.990 3.616 -6.705 1.00 0.00 O ATOM 993 CB PHE C 66 6.325 5.434 -3.784 1.00 0.00 C ATOM 994 CG PHE C 66 5.759 4.133 -3.267 1.00 0.00 C ATOM 995 CD1 PHE C 66 4.389 3.938 -3.168 1.00 0.00 C ATOM 996 CD2 PHE C 66 6.605 3.115 -2.849 1.00 0.00 C ATOM 997 CE1 PHE C 66 3.878 2.752 -2.664 1.00 0.00 C ATOM 998 CE2 PHE C 66 6.101 1.930 -2.351 1.00 0.00 C ATOM 999 CZ PHE C 66 4.736 1.748 -2.257 1.00 0.00 C ATOM 0 H PHE C 66 4.859 4.705 -6.329 1.00 0.00 H new ATOM 0 HA PHE C 66 7.053 6.434 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.289 5.606 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.666 6.245 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE C 66 3.714 4.718 -3.487 1.00 0.00 H new ATOM 0 HD2 PHE C 66 7.674 3.252 -2.914 1.00 0.00 H new ATOM 0 HE1 PHE C 66 2.810 2.613 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE C 66 6.774 1.146 -2.035 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.339 0.823 -1.866 1.00 0.00 H new ATOM 1009 N ASN C 67 8.542 4.218 -5.173 1.00 0.00 N ATOM 1010 CA ASN C 67 9.482 3.143 -5.467 1.00 0.00 C ATOM 1011 C ASN C 67 9.711 2.325 -4.198 1.00 0.00 C ATOM 1012 O ASN C 67 9.995 2.885 -3.139 1.00 0.00 O ATOM 1013 CB ASN C 67 10.808 3.737 -5.955 1.00 0.00 C ATOM 1014 CG ASN C 67 11.772 2.700 -6.509 1.00 0.00 C ATOM 1015 OD1 ASN C 67 11.750 1.528 -6.124 1.00 0.00 O ATOM 1016 ND2 ASN C 67 12.639 3.135 -7.407 1.00 0.00 N ATOM 0 H ASN C 67 8.866 4.858 -4.448 1.00 0.00 H new ATOM 0 HA ASN C 67 9.077 2.499 -6.248 1.00 0.00 H new ATOM 0 HB2 ASN C 67 10.602 4.479 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.287 4.262 -5.129 1.00 0.00 H new ATOM 0 HD21 ASN C 67 13.323 2.493 -7.808 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.624 4.112 -7.699 1.00 0.00 H new ATOM 1023 N GLU C 68 9.595 1.005 -4.317 1.00 0.00 N ATOM 1024 CA GLU C 68 9.602 0.107 -3.153 1.00 0.00 C ATOM 1025 C GLU C 68 10.932 0.100 -2.398 1.00 0.00 C ATOM 1026 O GLU C 68 10.958 -0.180 -1.202 1.00 0.00 O ATOM 1027 CB GLU C 68 9.270 -1.321 -3.579 1.00 0.00 C ATOM 1028 CG GLU C 68 7.972 -1.864 -2.996 1.00 0.00 C ATOM 1029 CD GLU C 68 7.759 -3.342 -3.297 1.00 0.00 C ATOM 1030 OE1 GLU C 68 7.241 -3.665 -4.387 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.117 -4.191 -2.451 1.00 0.00 O1- ATOM 0 H GLU C 68 9.494 0.526 -5.212 1.00 0.00 H new ATOM 0 HA GLU C 68 8.841 0.494 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.210 -1.358 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.089 -1.976 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU C 68 7.974 -1.715 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.134 -1.293 -3.395 1.00 0.00 H new ATOM 1038 N LYS C 69 12.032 0.392 -3.082 1.00 0.00 N ATOM 1039 CA LYS C 69 13.350 0.310 -2.449 1.00 0.00 C ATOM 1040 C LYS C 69 13.631 1.534 -1.595 1.00 0.00 C ATOM 1041 O LYS C 69 14.714 1.669 -1.024 1.00 0.00 O ATOM 1042 CB LYS C 69 14.450 0.148 -3.490 1.00 0.00 C ATOM 1043 CG LYS C 69 14.556 1.321 -4.436 1.00 0.00 C ATOM 1044 CD LYS C 69 15.507 1.014 -5.582 1.00 0.00 C ATOM 1045 CE LYS C 69 16.961 1.044 -5.131 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.358 2.379 -4.605 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.043 0.683 -4.059 1.00 0.00 H new ATOM 0 HA LYS C 69 13.342 -0.569 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.405 0.013 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.265 -0.759 -4.066 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.570 1.563 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS C 69 14.906 2.199 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.274 0.032 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.359 1.740 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.116 0.290 -4.359 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.605 0.779 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.393 2.474 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 16.920 3.124 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.039 2.473 -3.620 1.00 0.00 H new ATOM 1060 N SER C 70 12.666 2.431 -1.521 1.00 0.00 N ATOM 1061 CA SER C 70 12.768 3.566 -0.633 1.00 0.00 C ATOM 1062 C SER C 70 12.537 3.087 0.801 1.00 0.00 C ATOM 1063 O SER C 70 12.269 1.904 1.019 1.00 0.00 O ATOM 1064 CB SER C 70 11.736 4.624 -1.022 1.00 0.00 C ATOM 1065 OG SER C 70 11.786 4.886 -2.415 1.00 0.00 O ATOM 0 H SER C 70 11.805 2.393 -2.066 1.00 0.00 H new ATOM 0 HA SER C 70 13.758 4.015 -0.709 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.738 4.284 -0.747 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.924 5.543 -0.467 1.00 0.00 H new ATOM 0 HG SER C 70 11.186 4.271 -2.885 1.00 0.00 H new ATOM 1071 N THR C 71 12.623 3.972 1.782 1.00 0.00 N ATOM 1072 CA THR C 71 12.361 3.568 3.138 1.00 0.00 C ATOM 1073 C THR C 71 10.864 3.441 3.315 1.00 0.00 C ATOM 1074 O THR C 71 10.138 4.439 3.279 1.00 0.00 O ATOM 1075 CB THR C 71 12.945 4.560 4.165 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.478 5.890 3.896 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.464 4.535 4.128 1.00 0.00 C ATOM 0 H THR C 71 12.868 4.955 1.661 1.00 0.00 H new ATOM 0 HA THR C 71 12.850 2.611 3.320 1.00 0.00 H new ATOM 0 HB THR C 71 12.611 4.258 5.157 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.240 6.506 3.877 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.857 5.241 4.859 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.817 3.532 4.366 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.808 4.814 3.132 1.00 0.00 H new ATOM 1085 N VAL C 72 10.403 2.211 3.479 1.00 0.00 N ATOM 1086 CA VAL C 72 8.982 1.922 3.533 1.00 0.00 C ATOM 1087 C VAL C 72 8.320 2.657 4.697 1.00 0.00 C ATOM 1088 O VAL C 72 7.105 2.752 4.760 1.00 0.00 O ATOM 1089 CB VAL C 72 8.713 0.401 3.642 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.260 0.079 3.326 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.637 -0.377 2.718 1.00 0.00 C ATOM 0 H VAL C 72 11.001 1.390 3.578 1.00 0.00 H new ATOM 0 HA VAL C 72 8.545 2.276 2.599 1.00 0.00 H new ATOM 0 HB VAL C 72 8.915 0.100 4.670 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.099 -0.996 3.410 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.611 0.599 4.030 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.028 0.402 2.311 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.431 -1.443 2.811 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.470 -0.063 1.688 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.674 -0.183 2.992 1.00 0.00 H new ATOM 1101 N GLY C 73 9.128 3.214 5.590 1.00 0.00 N ATOM 1102 CA GLY C 73 8.587 3.955 6.717 1.00 0.00 C ATOM 1103 C GLY C 73 8.173 5.354 6.327 1.00 0.00 C ATOM 1104 O GLY C 73 7.116 5.827 6.744 1.00 0.00 O ATOM 0 H GLY C 73 10.146 3.167 5.556 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.727 3.422 7.122 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.333 4.005 7.510 1.00 0.00 H new ATOM 1108 N ASN C 74 8.985 6.013 5.506 1.00 0.00 N ATOM 1109 CA ASN C 74 8.618 7.328 4.998 1.00 0.00 C ATOM 1110 C ASN C 74 7.499 7.188 3.990 1.00 0.00 C ATOM 1111 O ASN C 74 6.652 8.066 3.853 1.00 0.00 O ATOM 1112 CB ASN C 74 9.806 8.039 4.349 1.00 0.00 C ATOM 1113 CG ASN C 74 10.733 8.676 5.359 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.493 9.797 5.814 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.813 7.989 5.691 1.00 0.00 N ATOM 0 H ASN C 74 9.887 5.664 5.183 1.00 0.00 H new ATOM 0 HA ASN C 74 8.289 7.932 5.843 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.368 7.323 3.749 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.436 8.806 3.668 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.487 8.384 6.348 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.972 7.065 5.291 1.00 0.00 H new ATOM 1122 N ILE C 75 7.507 6.073 3.281 1.00 0.00 N ATOM 1123 CA ILE C 75 6.464 5.782 2.319 1.00 0.00 C ATOM 1124 C ILE C 75 5.147 5.493 3.030 1.00 0.00 C ATOM 1125 O ILE C 75 4.142 6.158 2.782 1.00 0.00 O ATOM 1126 CB ILE C 75 6.837 4.577 1.429 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.136 4.852 0.659 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.703 4.253 0.468 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.071 6.061 -0.252 1.00 0.00 C ATOM 0 H ILE C 75 8.227 5.354 3.355 1.00 0.00 H new ATOM 0 HA ILE C 75 6.352 6.662 1.685 1.00 0.00 H new ATOM 0 HB ILE C 75 7.000 3.713 2.073 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.947 4.992 1.374 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.385 3.974 0.063 1.00 0.00 H new ATOM 0 HG21 ILE C 75 5.983 3.401 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.804 4.010 1.035 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.508 5.116 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.028 6.186 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.284 5.917 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.854 6.951 0.339 1.00 0.00 H new ATOM 1141 N SER C 76 5.170 4.520 3.937 1.00 0.00 N ATOM 1142 CA SER C 76 3.956 4.047 4.585 1.00 0.00 C ATOM 1143 C SER C 76 3.222 5.150 5.310 1.00 0.00 C ATOM 1144 O SER C 76 2.110 5.499 4.946 1.00 0.00 O ATOM 1145 CB SER C 76 4.256 2.910 5.557 1.00 0.00 C ATOM 1146 OG SER C 76 5.232 3.287 6.515 1.00 0.00 O ATOM 0 H SER C 76 6.020 4.044 4.239 1.00 0.00 H new ATOM 0 HA SER C 76 3.310 3.679 3.788 1.00 0.00 H new ATOM 0 HB2 SER C 76 3.339 2.615 6.067 1.00 0.00 H new ATOM 0 HB3 SER C 76 4.606 2.039 5.003 1.00 0.00 H new ATOM 0 HG SER C 76 6.087 3.451 6.064 1.00 0.00 H new ATOM 1152 N ASN C 77 3.842 5.695 6.329 1.00 0.00 N ATOM 1153 CA ASN C 77 3.148 6.648 7.191 1.00 0.00 C ATOM 1154 C ASN C 77 2.805 7.954 6.480 1.00 0.00 C ATOM 1155 O ASN C 77 1.940 8.686 6.946 1.00 0.00 O ATOM 1156 CB ASN C 77 3.899 6.898 8.497 1.00 0.00 C ATOM 1157 CG ASN C 77 3.311 6.093 9.652 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.981 5.946 9.682 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 4.038 5.625 10.526 1.00 0.00 N flip ATOM 0 H ASN C 77 4.810 5.505 6.587 1.00 0.00 H new ATOM 0 HA ASN C 77 2.198 6.179 7.448 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.949 6.635 8.368 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.863 7.960 8.739 1.00 0.00 H new ATOM 0 HD21 ASN C 77 5.048 5.755 10.473 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.631 5.106 11.304 1.00 0.00 H new ATOM 1166 N ASP C 78 3.446 8.246 5.351 1.00 0.00 N ATOM 1167 CA ASP C 78 2.971 9.339 4.499 1.00 0.00 C ATOM 1168 C ASP C 78 1.665 8.932 3.851 1.00 0.00 C ATOM 1169 O ASP C 78 0.706 9.699 3.833 1.00 0.00 O ATOM 1170 CB ASP C 78 3.972 9.711 3.414 1.00 0.00 C ATOM 1171 CG ASP C 78 4.897 10.843 3.826 1.00 0.00 C ATOM 1172 OD1 ASP C 78 4.815 11.928 3.213 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.700 10.668 4.766 1.00 0.00 O1- ATOM 0 H ASP C 78 4.274 7.758 5.009 1.00 0.00 H new ATOM 0 HA ASP C 78 2.836 10.214 5.134 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.569 8.835 3.161 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.432 10.000 2.512 1.00 0.00 H new ATOM 1178 N ILE C 79 1.637 7.706 3.334 1.00 0.00 N ATOM 1179 CA ILE C 79 0.415 7.112 2.805 1.00 0.00 C ATOM 1180 C ILE C 79 -0.657 7.085 3.889 1.00 0.00 C ATOM 1181 O ILE C 79 -1.856 7.148 3.614 1.00 0.00 O ATOM 1182 CB ILE C 79 0.653 5.667 2.294 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.616 5.662 1.107 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -0.660 5.003 1.901 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.860 4.277 0.547 1.00 0.00 C ATOM 0 H ILE C 79 2.456 7.101 3.271 1.00 0.00 H new ATOM 0 HA ILE C 79 0.089 7.724 1.964 1.00 0.00 H new ATOM 0 HB ILE C 79 1.099 5.098 3.110 1.00 0.00 H new ATOM 0 HG12 ILE C 79 1.216 6.301 0.319 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.567 6.095 1.416 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.464 3.991 1.546 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.321 4.963 2.767 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.136 5.580 1.108 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.552 4.341 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE C 79 2.288 3.641 1.322 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.916 3.850 0.208 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.215 7.012 5.128 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.133 6.915 6.236 1.00 0.00 C ATOM 1199 C ASN C 80 -1.593 8.292 6.685 1.00 0.00 C ATOM 1200 O ASN C 80 -2.696 8.442 7.215 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.507 6.152 7.409 1.00 0.00 C ATOM 1202 CG ASN C 80 0.076 4.813 6.992 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.344 4.224 6.003 1.00 0.00 O ATOM 1204 ND2 ASN C 80 1.031 4.306 7.759 1.00 0.00 N ATOM 0 H ASN C 80 0.771 7.018 5.389 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.004 6.357 5.893 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.278 6.762 7.857 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.263 5.991 8.178 1.00 0.00 H new ATOM 0 HD21 ASN C 80 1.439 3.399 7.533 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.358 4.823 8.575 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.752 9.297 6.472 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.148 10.676 6.707 1.00 0.00 C ATOM 1213 C LYS C 81 -2.326 11.015 5.816 1.00 0.00 C ATOM 1214 O LYS C 81 -3.247 11.716 6.222 1.00 0.00 O ATOM 1215 CB LYS C 81 0.007 11.640 6.431 1.00 0.00 C ATOM 1216 CG LYS C 81 1.150 11.534 7.424 1.00 0.00 C ATOM 1217 CD LYS C 81 2.261 12.518 7.101 1.00 0.00 C ATOM 1218 CE LYS C 81 3.373 12.463 8.135 1.00 0.00 C ATOM 1219 NZ LYS C 81 2.886 12.807 9.498 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.205 9.181 6.138 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.430 10.783 7.755 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.392 11.452 5.429 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.375 12.661 6.440 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.777 11.722 8.431 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.548 10.519 7.416 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.669 12.297 6.115 1.00 0.00 H new ATOM 0 HD3 LYS C 81 1.853 13.528 7.058 1.00 0.00 H new ATOM 0 HE2 LYS C 81 3.807 11.463 8.147 1.00 0.00 H new ATOM 0 HE3 LYS C 81 4.168 13.152 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 3.697 13.023 10.112 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 2.262 13.637 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 2.358 12.002 9.892 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.297 10.465 4.607 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.365 10.656 3.632 1.00 0.00 C ATOM 1235 C LEU C 82 -4.717 10.314 4.247 1.00 0.00 C ATOM 1236 O LEU C 82 -5.722 10.944 3.923 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.129 9.755 2.417 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.678 9.671 1.923 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.605 8.821 0.661 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.115 11.061 1.654 1.00 0.00 C ATOM 0 H LEU C 82 -1.534 9.875 4.275 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.364 11.702 3.324 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.469 8.749 2.662 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.753 10.111 1.597 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.076 9.204 2.703 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.572 8.767 0.318 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.968 7.816 0.877 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.223 9.270 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.086 10.975 1.305 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.717 11.556 0.892 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.139 11.647 2.573 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.692 9.342 5.164 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.886 8.785 5.812 1.00 0.00 C ATOM 1254 C ASN C 83 -7.059 8.626 4.851 1.00 0.00 C ATOM 1255 O ASN C 83 -7.793 9.573 4.570 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.285 9.600 7.038 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.216 8.771 8.314 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.237 7.862 8.406 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -7.025 8.951 9.220 1.00 0.00 N flip ATOM 0 H ASN C 83 -3.825 8.911 5.484 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.616 7.782 6.144 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.627 10.464 7.130 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.297 9.982 6.907 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -7.759 9.652 9.117 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -6.963 8.399 10.076 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.222 7.388 4.399 1.00 0.00 N ATOM 1267 CA ILE C 84 -8.186 7.003 3.369 1.00 0.00 C ATOM 1268 C ILE C 84 -9.545 7.669 3.551 1.00 0.00 C ATOM 1269 O ILE C 84 -9.995 7.890 4.665 1.00 0.00 O ATOM 1270 CB ILE C 84 -8.355 5.462 3.358 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -8.228 4.914 1.954 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -9.691 5.023 3.945 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -6.981 5.372 1.227 1.00 0.00 C ATOM 0 H ILE C 84 -6.674 6.601 4.747 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.787 7.346 2.415 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.557 5.061 3.983 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -8.232 3.825 1.998 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -9.103 5.213 1.377 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -9.762 3.936 3.915 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.764 5.363 4.978 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -10.504 5.456 3.362 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -6.962 4.937 0.228 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -6.984 6.459 1.150 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -6.099 5.050 1.780 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.180 7.997 2.443 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.510 8.579 2.476 1.00 0.00 C ATOM 1287 C LYS C 85 -12.276 8.172 1.226 1.00 0.00 C ATOM 1288 O LYS C 85 -13.309 8.752 0.891 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.409 10.101 2.580 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.908 10.763 1.294 1.00 0.00 C ATOM 1291 CD LYS C 85 -9.881 11.846 1.574 1.00 0.00 C ATOM 1292 CE LYS C 85 -8.618 11.266 2.193 1.00 0.00 C ATOM 1293 NZ LYS C 85 -7.522 12.266 2.269 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.797 7.871 1.506 1.00 0.00 H new ATOM 0 HA LYS C 85 -12.048 8.211 3.349 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.389 10.507 2.832 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -10.737 10.359 3.399 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.469 10.006 0.644 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.752 11.194 0.756 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.630 12.360 0.646 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -10.309 12.590 2.246 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -8.842 10.898 3.194 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.287 10.410 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -6.744 11.885 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -7.174 12.473 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -7.879 13.140 2.704 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.754 7.165 0.542 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.374 6.685 -0.668 1.00 0.00 C ATOM 1309 C GLY C 86 -13.166 5.420 -0.426 1.00 0.00 C ATOM 1310 O GLY C 86 -13.225 4.934 0.705 1.00 0.00 O ATOM 0 H GLY C 86 -10.903 6.670 0.810 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.032 7.455 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.608 6.496 -1.420 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.795 4.869 -1.469 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.524 3.609 -1.373 1.00 0.00 C ATOM 1316 C PRO C 87 -13.583 2.409 -1.480 1.00 0.00 C ATOM 1317 O PRO C 87 -13.223 1.805 -0.471 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.474 3.678 -2.566 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.733 4.476 -3.583 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.867 5.447 -2.821 1.00 0.00 C ATOM 0 HA PRO C 87 -15.036 3.480 -0.420 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.715 2.683 -2.940 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.417 4.154 -2.297 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.125 3.829 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.424 5.005 -4.239 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.878 5.538 -3.270 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.304 6.446 -2.806 1.00 0.00 H new ATOM 1328 N TYR C 88 -13.162 2.087 -2.699 1.00 0.00 N ATOM 1329 CA TYR C 88 -12.191 1.038 -2.909 1.00 0.00 C ATOM 1330 C TYR C 88 -10.900 1.632 -3.451 1.00 0.00 C ATOM 1331 O TYR C 88 -10.909 2.422 -4.403 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.734 -0.057 -3.837 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.208 0.438 -5.189 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -14.476 0.982 -5.350 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -12.385 0.351 -6.305 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -14.909 1.428 -6.582 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -12.811 0.795 -7.541 1.00 0.00 C ATOM 1338 CZ TYR C 88 -14.072 1.332 -7.675 1.00 0.00 C ATOM 1339 OH TYR C 88 -14.497 1.777 -8.906 1.00 0.00 O ATOM 0 H TYR C 88 -13.483 2.543 -3.553 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.983 0.564 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.955 -0.803 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.563 -0.560 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -15.134 1.057 -4.497 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -11.396 -0.071 -6.204 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -15.897 1.850 -6.690 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -12.159 0.722 -8.398 1.00 0.00 H new ATOM 0 HH TYR C 88 -13.787 1.638 -9.567 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.797 1.271 -2.822 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.508 1.853 -3.143 1.00 0.00 C ATOM 1351 C ILE C 89 -7.567 0.787 -3.698 1.00 0.00 C ATOM 1352 O ILE C 89 -7.503 -0.334 -3.192 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.873 2.542 -1.907 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.716 3.748 -1.467 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.441 2.980 -2.191 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -9.947 3.389 -0.660 1.00 0.00 C ATOM 0 H ILE C 89 -9.769 0.572 -2.080 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.668 2.616 -3.905 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.851 1.812 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.091 4.417 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.026 4.302 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -6.025 3.459 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.839 2.109 -2.449 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.434 3.685 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -10.484 4.299 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -10.597 2.747 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -9.647 2.863 0.246 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.857 1.152 -4.748 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.941 0.256 -5.425 1.00 0.00 C ATOM 1370 C GLU C 90 -4.541 0.395 -4.854 1.00 0.00 C ATOM 1371 O GLU C 90 -3.830 1.353 -5.164 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.894 0.598 -6.907 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.253 0.600 -7.593 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.759 -0.787 -7.926 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.813 -1.121 -9.129 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -8.107 -1.546 -6.999 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.900 2.085 -5.158 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.292 -0.766 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.438 1.581 -7.027 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.246 -0.118 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.977 1.098 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.188 1.185 -8.510 1.00 0.00 H new ATOM 1383 N ILE C 91 -4.155 -0.541 -4.012 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.791 -0.599 -3.526 1.00 0.00 C ATOM 1385 C ILE C 91 -2.055 -1.715 -4.258 1.00 0.00 C ATOM 1386 O ILE C 91 -2.190 -2.887 -3.915 1.00 0.00 O ATOM 1387 CB ILE C 91 -2.748 -0.830 -1.995 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -3.462 0.310 -1.259 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -1.313 -0.951 -1.507 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.722 1.630 -1.312 1.00 0.00 C ATOM 0 H ILE C 91 -4.766 -1.273 -3.649 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.303 0.355 -3.722 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.266 -1.765 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -4.454 0.443 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.603 0.025 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -1.308 -1.113 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -0.830 -1.793 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -0.771 -0.034 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -3.289 2.387 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.740 1.515 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -2.604 1.940 -2.350 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.292 -1.340 -5.282 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.635 -2.304 -6.154 1.00 0.00 C ATOM 1404 C LYS C 92 0.328 -1.565 -7.061 1.00 0.00 C ATOM 1405 O LYS C 92 0.110 -0.402 -7.381 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.686 -3.034 -7.000 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.537 -2.090 -7.852 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.992 -1.918 -9.267 1.00 0.00 C ATOM 1409 CE LYS C 92 -2.052 -3.210 -10.067 1.00 0.00 C ATOM 1410 NZ LYS C 92 -1.413 -3.061 -11.401 1.00 0.00 N1+ ATOM 0 H LYS C 92 -1.114 -0.366 -5.528 1.00 0.00 H new ATOM 0 HA LYS C 92 -0.092 -3.035 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -1.185 -3.749 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.339 -3.607 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -3.556 -2.474 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.588 -1.116 -7.366 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.563 -1.146 -9.783 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.960 -1.571 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -1.554 -4.005 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -3.092 -3.512 -10.193 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -1.503 -3.952 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -1.882 -2.296 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -0.406 -2.831 -11.280 1.00 0.00 H new ATOM 1424 N GLN C 93 1.385 -2.212 -7.492 1.00 0.00 N ATOM 1425 CA GLN C 93 2.312 -1.534 -8.362 1.00 0.00 C ATOM 1426 C GLN C 93 1.956 -1.748 -9.813 1.00 0.00 C ATOM 1427 O GLN C 93 1.081 -2.549 -10.148 1.00 0.00 O ATOM 1428 CB GLN C 93 3.755 -1.907 -8.056 1.00 0.00 C ATOM 1429 CG GLN C 93 4.132 -3.370 -8.253 1.00 0.00 C ATOM 1430 CD GLN C 93 4.450 -3.708 -9.694 1.00 0.00 C ATOM 1431 OE1 GLN C 93 3.601 -4.195 -10.441 1.00 0.00 O ATOM 1432 NE2 GLN C 93 5.668 -3.409 -10.109 1.00 0.00 N ATOM 0 H GLN C 93 1.619 -3.178 -7.263 1.00 0.00 H new ATOM 0 HA GLN C 93 2.226 -0.465 -8.167 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.406 -1.299 -8.684 1.00 0.00 H new ATOM 0 HB3 GLN C 93 3.966 -1.636 -7.022 1.00 0.00 H new ATOM 0 HG2 GLN C 93 4.996 -3.604 -7.631 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.312 -4.001 -7.910 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.344 -3.007 -9.459 1.00 0.00 H new ATOM 0 HE22 GLN C 93 5.933 -3.581 -11.079 1.00 0.00 H new ATOM 1441 N ILE C 94 2.640 -1.033 -10.671 1.00 0.00 N ATOM 1442 CA ILE C 94 2.235 -0.919 -12.044 1.00 0.00 C ATOM 1443 C ILE C 94 3.313 -1.423 -12.992 1.00 0.00 C ATOM 1444 O ILE C 94 2.973 -2.184 -13.920 1.00 0.00 O ATOM 1445 CB ILE C 94 1.822 0.535 -12.360 1.00 0.00 C ATOM 1446 CG1 ILE C 94 2.515 1.494 -11.376 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.308 0.677 -12.288 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.006 2.918 -11.401 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.497 -1.115 -12.774 1.00 0.00 O ATOM 0 H ILE C 94 3.488 -0.517 -10.436 1.00 0.00 H new ATOM 0 HA ILE C 94 1.365 -1.558 -12.198 1.00 0.00 H new ATOM 0 HB ILE C 94 2.136 0.791 -13.372 1.00 0.00 H new ATOM 0 HG12 ILE C 94 2.398 1.101 -10.366 1.00 0.00 H new ATOM 0 HG13 ILE C 94 3.583 1.503 -11.593 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.028 1.706 -12.513 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.155 0.008 -13.014 1.00 0.00 H new ATOM 0 HG23 ILE C 94 -0.034 0.418 -11.286 1.00 0.00 H new ATOM 0 HD11 ILE C 94 2.557 3.514 -10.673 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.149 3.338 -12.397 1.00 0.00 H new ATOM 0 HD13 ILE C 94 0.945 2.930 -11.151 1.00 0.00 H new