USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 TYR OH : rot 180:sc= -1.06 USER MOD Set 1.2: A 119 ASN : amide:sc=-0.00366 X(o=-1.1,f=-1.2) USER MOD Single : A 8 HIS : no HE2:sc= -0.818 K(o=-0.82,f=-1.9!) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.0322 (180deg=-0.213) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0642 (180deg=-0.4) USER MOD Single : A 22 THR OG1 : rot 65:sc= 1.1 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -132:sc= -2.2 (180deg=-5.01!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.018 (180deg=-0.151) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 32 MET CE :methyl 157:sc= -0.102 (180deg=-0.799) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -74:sc= 0.0585 USER MOD Single : A 59 SER OG : rot 116:sc= 0.0972 USER MOD Single : A 62 THR OG1 : rot 78:sc= 0.767 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0357 (180deg=-0.33) USER MOD Single : A 65 MET CE :methyl -118:sc= -0.599 (180deg=-2.8!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.39 F(o=-1.2,f=-0.39) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00274) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0153 (180deg=-0.173) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0.927 K(o=0.93,f=-0.46) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 152:sc=0.000864 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 13:sc= 0.00205 USER MOD Single : A 93 TYR OH : rot 14:sc= 1.29 USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.14) USER MOD Single : A 98 MET CE :methyl 149:sc= 0 (180deg=-1.85) USER MOD Single : A 100 ASN : amide:sc= -0.423 K(o=-0.42,f=-11!) USER MOD Single : A 106 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.42) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -121:sc= -0.0918 USER MOD Single : A 116 LYS NZ :NH3+ -163:sc= -0.0185 (180deg=-0.193) USER MOD Single : A 118 ASN : amide:sc= -11.5! C(o=-11!,f=-22!) USER MOD Single : A 120 THR OG1 : rot 83:sc= 0.727 USER MOD Single : A 121 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.028) USER MOD Single : A 123 GLN :FLIP amide:sc= 0.00836 F(o=-2.7!,f=0.0084) USER MOD Single : A 127 LYS NZ :NH3+ -170:sc=-0.00595 (180deg=-0.139) USER MOD Single : A 131 GLN :FLIP amide:sc= -0.92 F(o=-3.9!,f=-0.92) USER MOD Single : A 133 LYS NZ :NH3+ 144:sc= 1.03 (180deg=0.168) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= 1.11 K(o=1.1,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -12.733 7.131 0.804 1.00 0.00 N ATOM 116 CA HIS A 8 -13.612 6.175 1.335 1.00 0.00 C ATOM 117 C HIS A 8 -12.980 4.893 1.780 1.00 0.00 C ATOM 118 O HIS A 8 -12.500 4.085 0.976 1.00 0.00 O ATOM 119 CB HIS A 8 -14.869 5.985 0.492 1.00 0.00 C ATOM 120 CG HIS A 8 -14.662 5.822 -0.974 1.00 0.00 C ATOM 121 ND1 HIS A 8 -15.209 6.649 -1.926 1.00 0.00 N ATOM 122 CD2 HIS A 8 -13.995 4.885 -1.632 1.00 0.00 C ATOM 123 CE1 HIS A 8 -14.859 6.181 -3.121 1.00 0.00 C ATOM 124 NE2 HIS A 8 -14.112 5.095 -2.998 1.00 0.00 N ATOM 0 HA HIS A 8 -13.945 6.619 2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -15.400 5.108 0.862 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -15.521 6.843 0.652 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -15.781 7.474 -1.748 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.443 4.078 -1.173 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.145 6.626 -4.063 1.00 0.00 H new ATOM 132 N LYS A 9 -12.945 4.753 3.077 1.00 0.00 N ATOM 133 CA LYS A 9 -12.505 3.594 3.739 1.00 0.00 C ATOM 134 C LYS A 9 -13.547 2.490 3.528 1.00 0.00 C ATOM 135 O LYS A 9 -14.755 2.753 3.629 1.00 0.00 O ATOM 136 CB LYS A 9 -12.411 3.914 5.210 1.00 0.00 C ATOM 137 CG LYS A 9 -11.399 3.098 5.928 1.00 0.00 C ATOM 138 CD LYS A 9 -10.010 3.501 5.545 1.00 0.00 C ATOM 139 CE LYS A 9 -9.664 4.904 5.983 1.00 0.00 C ATOM 140 NZ LYS A 9 -9.767 5.104 7.433 1.00 0.00 N ATOM 0 H LYS A 9 -13.241 5.491 3.716 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.538 3.265 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.167 4.970 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.386 3.758 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.531 3.214 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.550 2.043 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.299 2.802 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.900 3.426 4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.648 5.136 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.326 5.608 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.328 6.011 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.769 5.113 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.278 4.330 7.926 1.00 0.00 H new ATOM 154 N GLU A 10 -13.087 1.287 3.291 1.00 0.00 N ATOM 155 CA GLU A 10 -13.928 0.142 2.965 1.00 0.00 C ATOM 156 C GLU A 10 -13.285 -1.057 3.651 1.00 0.00 C ATOM 157 O GLU A 10 -12.068 -1.041 3.857 1.00 0.00 O ATOM 158 CB GLU A 10 -13.914 -0.103 1.445 1.00 0.00 C ATOM 159 CG GLU A 10 -14.404 1.050 0.564 1.00 0.00 C ATOM 160 CD GLU A 10 -15.909 1.146 0.418 1.00 0.00 C ATOM 161 OE1 GLU A 10 -16.617 1.510 1.377 1.00 0.00 O ATOM 162 OE2 GLU A 10 -16.408 0.883 -0.701 1.00 0.00 O ATOM 0 H GLU A 10 -12.093 1.062 3.318 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.957 0.306 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.895 -0.350 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.528 -0.978 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.033 1.988 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.963 0.943 -0.427 1.00 0.00 H new ATOM 169 N PRO A 11 -14.042 -2.075 4.042 1.00 0.00 N ATOM 170 CA PRO A 11 -13.503 -3.236 4.751 1.00 0.00 C ATOM 171 C PRO A 11 -12.956 -4.311 3.816 1.00 0.00 C ATOM 172 O PRO A 11 -13.601 -4.699 2.828 1.00 0.00 O ATOM 173 CB PRO A 11 -14.733 -3.763 5.512 1.00 0.00 C ATOM 174 CG PRO A 11 -15.789 -2.739 5.249 1.00 0.00 C ATOM 175 CD PRO A 11 -15.479 -2.210 3.899 1.00 0.00 C ATOM 0 HA PRO A 11 -12.655 -2.971 5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.033 -4.747 5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.530 -3.862 6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.785 -3.181 5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.767 -1.948 5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.762 -2.897 3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.974 -1.261 3.693 1.00 0.00 H new ATOM 183 N ALA A 12 -11.792 -4.804 4.139 1.00 0.00 N ATOM 184 CA ALA A 12 -11.142 -5.815 3.359 1.00 0.00 C ATOM 185 C ALA A 12 -10.588 -6.902 4.268 1.00 0.00 C ATOM 186 O ALA A 12 -10.561 -6.744 5.485 1.00 0.00 O ATOM 187 CB ALA A 12 -10.038 -5.183 2.531 1.00 0.00 C ATOM 0 H ALA A 12 -11.264 -4.510 4.961 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.864 -6.276 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.543 -5.952 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.466 -4.431 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.311 -4.712 3.193 1.00 0.00 H new ATOM 193 N THR A 13 -10.219 -8.024 3.703 1.00 0.00 N ATOM 194 CA THR A 13 -9.619 -9.107 4.493 1.00 0.00 C ATOM 195 C THR A 13 -8.398 -9.669 3.767 1.00 0.00 C ATOM 196 O THR A 13 -8.383 -9.699 2.562 1.00 0.00 O ATOM 197 CB THR A 13 -10.642 -10.241 4.721 1.00 0.00 C ATOM 198 OG1 THR A 13 -11.844 -9.698 5.272 1.00 0.00 O ATOM 199 CG2 THR A 13 -10.089 -11.286 5.666 1.00 0.00 C ATOM 0 H THR A 13 -10.316 -8.225 2.708 1.00 0.00 H new ATOM 0 HA THR A 13 -9.316 -8.700 5.458 1.00 0.00 H new ATOM 0 HB THR A 13 -10.850 -10.713 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.493 -10.418 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.828 -12.074 5.810 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.180 -11.714 5.243 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.860 -10.823 6.626 1.00 0.00 H new ATOM 207 N LEU A 14 -7.387 -10.092 4.489 1.00 0.00 N ATOM 208 CA LEU A 14 -6.213 -10.667 3.876 1.00 0.00 C ATOM 209 C LEU A 14 -6.524 -12.010 3.233 1.00 0.00 C ATOM 210 O LEU A 14 -7.177 -12.868 3.827 1.00 0.00 O ATOM 211 CB LEU A 14 -5.047 -10.761 4.902 1.00 0.00 C ATOM 212 CG LEU A 14 -3.684 -11.381 4.453 1.00 0.00 C ATOM 213 CD1 LEU A 14 -3.661 -12.892 4.592 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.343 -10.983 3.027 1.00 0.00 C ATOM 0 H LEU A 14 -7.354 -10.048 5.508 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.887 -10.005 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.846 -9.752 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.405 -11.339 5.754 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.926 -10.977 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.693 -13.273 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.827 -13.164 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.447 -13.326 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.390 -11.429 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.124 -11.336 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.270 -9.898 2.960 1.00 0.00 H new ATOM 226 N ILE A 15 -6.130 -12.134 1.988 1.00 0.00 N ATOM 227 CA ILE A 15 -6.180 -13.378 1.285 1.00 0.00 C ATOM 228 C ILE A 15 -4.765 -13.831 0.999 1.00 0.00 C ATOM 229 O ILE A 15 -4.380 -14.942 1.370 1.00 0.00 O ATOM 230 CB ILE A 15 -7.014 -13.286 -0.017 1.00 0.00 C ATOM 231 CG1 ILE A 15 -8.458 -12.913 0.338 1.00 0.00 C ATOM 232 CG2 ILE A 15 -6.969 -14.608 -0.792 1.00 0.00 C ATOM 233 CD1 ILE A 15 -9.363 -12.766 -0.847 1.00 0.00 C ATOM 0 H ILE A 15 -5.762 -11.360 1.435 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.684 -14.113 1.913 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.589 -12.516 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.866 -13.676 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.453 -11.976 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.562 -14.517 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.937 -14.841 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.376 -15.407 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.365 -12.502 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.982 -11.982 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.402 -13.708 -1.394 1.00 0.00 H new ATOM 245 N LYS A 16 -3.966 -12.940 0.408 1.00 0.00 N ATOM 246 CA LYS A 16 -2.577 -13.283 0.072 1.00 0.00 C ATOM 247 C LYS A 16 -1.813 -12.077 -0.422 1.00 0.00 C ATOM 248 O LYS A 16 -2.172 -11.502 -1.407 1.00 0.00 O ATOM 249 CB LYS A 16 -2.549 -14.384 -1.010 1.00 0.00 C ATOM 250 CG LYS A 16 -1.174 -14.710 -1.587 1.00 0.00 C ATOM 251 CD LYS A 16 -0.194 -15.176 -0.528 1.00 0.00 C ATOM 252 CE LYS A 16 1.149 -15.502 -1.152 1.00 0.00 C ATOM 253 NZ LYS A 16 1.047 -16.611 -2.114 1.00 0.00 N ATOM 0 H LYS A 16 -4.247 -11.993 0.155 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.098 -13.646 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.970 -15.295 -0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.203 -14.081 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.277 -15.484 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.774 -13.826 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.071 -14.401 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.589 -16.056 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.540 -14.618 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.860 -15.764 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.995 -16.996 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.442 -17.359 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.632 -16.263 -3.002 1.00 0.00 H new ATOM 267 N ALA A 17 -0.764 -11.697 0.261 1.00 0.00 N ATOM 268 CA ALA A 17 0.072 -10.607 -0.224 1.00 0.00 C ATOM 269 C ALA A 17 0.934 -11.130 -1.338 1.00 0.00 C ATOM 270 O ALA A 17 1.611 -12.152 -1.176 1.00 0.00 O ATOM 271 CB ALA A 17 0.908 -9.999 0.873 1.00 0.00 C ATOM 0 H ALA A 17 -0.464 -12.113 1.143 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.569 -9.806 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.514 -9.191 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.255 -9.604 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.560 -10.762 1.299 1.00 0.00 H new ATOM 277 N ILE A 18 0.921 -10.454 -2.455 1.00 0.00 N ATOM 278 CA ILE A 18 1.565 -10.978 -3.622 1.00 0.00 C ATOM 279 C ILE A 18 3.022 -10.518 -3.694 1.00 0.00 C ATOM 280 O ILE A 18 3.946 -11.317 -3.533 1.00 0.00 O ATOM 281 CB ILE A 18 0.827 -10.556 -4.922 1.00 0.00 C ATOM 282 CG1 ILE A 18 -0.698 -10.734 -4.789 1.00 0.00 C ATOM 283 CG2 ILE A 18 1.336 -11.378 -6.101 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.175 -12.152 -4.562 1.00 0.00 C ATOM 0 H ILE A 18 0.474 -9.546 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 18 1.533 -12.065 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 18 1.033 -9.499 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.047 -10.116 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.170 -10.352 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.813 -11.075 -7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.406 -11.211 -6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.153 -12.436 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.262 -12.162 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.866 -12.778 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.741 -12.539 -3.640 1.00 0.00 H new ATOM 296 N ASP A 19 3.226 -9.226 -3.872 1.00 0.00 N ATOM 297 CA ASP A 19 4.599 -8.697 -4.126 1.00 0.00 C ATOM 298 C ASP A 19 4.960 -7.579 -3.217 1.00 0.00 C ATOM 299 O ASP A 19 5.940 -6.871 -3.438 1.00 0.00 O ATOM 300 CB ASP A 19 4.701 -8.142 -5.530 1.00 0.00 C ATOM 301 CG ASP A 19 4.928 -9.161 -6.623 1.00 0.00 C ATOM 302 OD1 ASP A 19 4.029 -9.949 -6.937 1.00 0.00 O ATOM 303 OD2 ASP A 19 6.017 -9.183 -7.208 1.00 0.00 O ATOM 0 H ASP A 19 2.492 -8.518 -3.851 1.00 0.00 H new ATOM 0 HA ASP A 19 5.270 -9.540 -3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.784 -7.596 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.517 -7.420 -5.557 1.00 0.00 H new ATOM 308 N GLY A 20 4.203 -7.412 -2.219 1.00 0.00 N ATOM 309 CA GLY A 20 4.352 -6.252 -1.400 1.00 0.00 C ATOM 310 C GLY A 20 3.473 -5.233 -1.990 1.00 0.00 C ATOM 311 O GLY A 20 2.331 -5.066 -1.577 1.00 0.00 O ATOM 0 H GLY A 20 3.465 -8.055 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.070 -6.462 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.388 -5.914 -1.385 1.00 0.00 H new ATOM 315 N ASP A 21 3.939 -4.675 -3.073 1.00 0.00 N ATOM 316 CA ASP A 21 3.158 -3.794 -3.853 1.00 0.00 C ATOM 317 C ASP A 21 2.431 -4.611 -4.844 1.00 0.00 C ATOM 318 O ASP A 21 2.899 -4.803 -5.961 1.00 0.00 O ATOM 319 CB ASP A 21 3.940 -2.655 -4.525 1.00 0.00 C ATOM 320 CG ASP A 21 3.103 -1.922 -5.558 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.888 -1.758 -5.357 1.00 0.00 O ATOM 322 OD2 ASP A 21 3.659 -1.523 -6.620 1.00 0.00 O ATOM 0 H ASP A 21 4.882 -4.829 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 21 2.474 -3.270 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.278 -1.950 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.832 -3.060 -5.003 1.00 0.00 H new ATOM 327 N THR A 22 1.488 -5.322 -4.270 1.00 0.00 N ATOM 328 CA THR A 22 0.393 -6.070 -4.869 1.00 0.00 C ATOM 329 C THR A 22 -0.032 -7.110 -3.838 1.00 0.00 C ATOM 330 O THR A 22 0.819 -7.902 -3.348 1.00 0.00 O ATOM 331 CB THR A 22 0.620 -6.757 -6.282 1.00 0.00 C ATOM 332 OG1 THR A 22 1.056 -5.815 -7.267 1.00 0.00 O ATOM 333 CG2 THR A 22 -0.688 -7.226 -6.786 1.00 0.00 C ATOM 0 H THR A 22 1.463 -5.403 -3.254 1.00 0.00 H new ATOM 0 HA THR A 22 -0.368 -5.329 -5.113 1.00 0.00 H new ATOM 0 HB THR A 22 1.358 -7.547 -6.140 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.941 -5.471 -7.022 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.554 -7.702 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.111 -7.945 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.364 -6.377 -6.888 1.00 0.00 H new ATOM 341 N VAL A 23 -1.303 -7.075 -3.451 1.00 0.00 N ATOM 342 CA VAL A 23 -1.830 -7.937 -2.386 1.00 0.00 C ATOM 343 C VAL A 23 -3.197 -8.473 -2.816 1.00 0.00 C ATOM 344 O VAL A 23 -3.815 -7.885 -3.608 1.00 0.00 O ATOM 345 CB VAL A 23 -2.078 -7.100 -1.084 1.00 0.00 C ATOM 346 CG1 VAL A 23 -2.355 -7.957 0.145 1.00 0.00 C ATOM 347 CG2 VAL A 23 -0.980 -6.100 -0.820 1.00 0.00 C ATOM 0 H VAL A 23 -1.999 -6.452 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.112 -8.736 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.991 -6.538 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.517 -7.312 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.244 -8.564 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.502 -8.609 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.202 -5.548 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.031 -6.624 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.912 -5.405 -1.657 1.00 0.00 H new ATOM 357 N LYS A 24 -3.624 -9.585 -2.314 1.00 0.00 N ATOM 358 CA LYS A 24 -4.988 -10.029 -2.505 1.00 0.00 C ATOM 359 C LYS A 24 -5.729 -9.911 -1.255 1.00 0.00 C ATOM 360 O LYS A 24 -5.376 -10.571 -0.229 1.00 0.00 O ATOM 361 CB LYS A 24 -5.167 -11.443 -3.056 1.00 0.00 C ATOM 362 CG LYS A 24 -5.107 -11.503 -4.567 1.00 0.00 C ATOM 363 CD LYS A 24 -5.326 -12.897 -5.123 1.00 0.00 C ATOM 364 CE LYS A 24 -6.704 -13.470 -4.788 1.00 0.00 C ATOM 365 NZ LYS A 24 -6.901 -14.783 -5.421 1.00 0.00 N ATOM 0 H LYS A 24 -3.048 -10.218 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.378 -9.368 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.393 -12.089 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.126 -11.839 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.860 -10.832 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.136 -11.135 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.203 -12.873 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.558 -13.563 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.809 -13.565 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.479 -12.781 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.844 -15.148 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.824 -14.686 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.175 -15.445 -5.081 1.00 0.00 H new ATOM 379 N LEU A 25 -6.714 -9.063 -1.297 1.00 0.00 N ATOM 380 CA LEU A 25 -7.581 -8.866 -0.199 1.00 0.00 C ATOM 381 C LEU A 25 -9.008 -9.186 -0.608 1.00 0.00 C ATOM 382 O LEU A 25 -9.353 -9.150 -1.785 1.00 0.00 O ATOM 383 CB LEU A 25 -7.510 -7.422 0.282 1.00 0.00 C ATOM 384 CG LEU A 25 -6.149 -6.903 0.716 1.00 0.00 C ATOM 385 CD1 LEU A 25 -6.245 -5.436 1.014 1.00 0.00 C ATOM 386 CD2 LEU A 25 -5.634 -7.652 1.930 1.00 0.00 C ATOM 0 H LEU A 25 -6.931 -8.487 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.272 -9.528 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.877 -6.780 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.198 -7.310 1.120 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.442 -7.066 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.269 -5.063 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.568 -4.903 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.967 -5.274 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.659 -7.257 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.332 -7.527 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.540 -8.711 1.691 1.00 0.00 H new ATOM 398 N MET A 26 -9.783 -9.563 0.356 1.00 0.00 N ATOM 399 CA MET A 26 -11.206 -9.740 0.221 1.00 0.00 C ATOM 400 C MET A 26 -11.764 -8.381 0.310 1.00 0.00 C ATOM 401 O MET A 26 -11.449 -7.680 1.250 1.00 0.00 O ATOM 402 CB MET A 26 -11.749 -10.516 1.413 1.00 0.00 C ATOM 403 CG MET A 26 -13.279 -10.666 1.472 1.00 0.00 C ATOM 404 SD MET A 26 -13.891 -12.319 1.055 1.00 0.00 S ATOM 405 CE MET A 26 -13.347 -12.478 -0.630 1.00 0.00 C ATOM 0 H MET A 26 -9.438 -9.765 1.294 1.00 0.00 H new ATOM 0 HA MET A 26 -11.454 -10.267 -0.700 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.305 -11.511 1.408 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.415 -10.023 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.618 -10.410 2.476 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.728 -9.944 0.790 1.00 0.00 H new ATOM 0 HE1 MET A 26 -14.172 -12.834 -1.247 1.00 0.00 H new ATOM 0 HE2 MET A 26 -13.012 -11.508 -0.997 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.523 -13.190 -0.681 1.00 0.00 H new ATOM 415 N TYR A 27 -12.529 -8.011 -0.633 1.00 0.00 N ATOM 416 CA TYR A 27 -13.133 -6.739 -0.669 1.00 0.00 C ATOM 417 C TYR A 27 -14.555 -6.907 -1.117 1.00 0.00 C ATOM 418 O TYR A 27 -14.820 -7.542 -2.142 1.00 0.00 O ATOM 419 CB TYR A 27 -12.317 -5.832 -1.586 1.00 0.00 C ATOM 420 CG TYR A 27 -13.008 -4.575 -2.099 1.00 0.00 C ATOM 421 CD1 TYR A 27 -13.051 -3.403 -1.341 1.00 0.00 C ATOM 422 CD2 TYR A 27 -13.603 -4.561 -3.356 1.00 0.00 C ATOM 423 CE1 TYR A 27 -13.668 -2.267 -1.828 1.00 0.00 C ATOM 424 CE2 TYR A 27 -14.221 -3.432 -3.844 1.00 0.00 C ATOM 425 CZ TYR A 27 -14.252 -2.289 -3.082 1.00 0.00 C ATOM 426 OH TYR A 27 -14.869 -1.158 -3.579 1.00 0.00 O ATOM 0 H TYR A 27 -12.763 -8.602 -1.431 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.151 -6.266 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.416 -5.531 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.996 -6.419 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.596 -3.384 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.580 -5.455 -3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.694 -1.366 -1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.680 -3.445 -4.822 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.225 -1.346 -4.472 1.00 0.00 H new ATOM 436 N LYS A 28 -15.463 -6.485 -0.255 1.00 0.00 N ATOM 437 CA LYS A 28 -16.912 -6.505 -0.483 1.00 0.00 C ATOM 438 C LYS A 28 -17.433 -7.957 -0.638 1.00 0.00 C ATOM 439 O LYS A 28 -18.589 -8.210 -1.004 1.00 0.00 O ATOM 440 CB LYS A 28 -17.297 -5.590 -1.679 1.00 0.00 C ATOM 441 CG LYS A 28 -18.793 -5.360 -1.866 1.00 0.00 C ATOM 442 CD LYS A 28 -19.079 -4.466 -3.059 1.00 0.00 C ATOM 443 CE LYS A 28 -20.575 -4.256 -3.251 1.00 0.00 C ATOM 444 NZ LYS A 28 -21.210 -3.594 -2.093 1.00 0.00 N ATOM 0 H LYS A 28 -15.211 -6.104 0.657 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.409 -6.094 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.811 -4.623 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.896 -6.027 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.294 -6.318 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.207 -4.908 -0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.590 -3.502 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.654 -4.911 -3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.742 -3.655 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.054 -5.220 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.178 -3.308 -2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.242 -4.254 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.658 -2.753 -1.828 1.00 0.00 H new ATOM 458 N GLY A 29 -16.596 -8.887 -0.282 1.00 0.00 N ATOM 459 CA GLY A 29 -16.931 -10.280 -0.404 1.00 0.00 C ATOM 460 C GLY A 29 -16.322 -10.939 -1.638 1.00 0.00 C ATOM 461 O GLY A 29 -16.681 -12.066 -1.975 1.00 0.00 O ATOM 0 H GLY A 29 -15.667 -8.706 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.591 -10.808 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.015 -10.384 -0.442 1.00 0.00 H new ATOM 465 N GLN A 30 -15.412 -10.259 -2.324 1.00 0.00 N ATOM 466 CA GLN A 30 -14.741 -10.871 -3.475 1.00 0.00 C ATOM 467 C GLN A 30 -13.235 -10.672 -3.358 1.00 0.00 C ATOM 468 O GLN A 30 -12.792 -9.685 -2.762 1.00 0.00 O ATOM 469 CB GLN A 30 -15.263 -10.301 -4.798 1.00 0.00 C ATOM 470 CG GLN A 30 -14.987 -8.827 -4.976 1.00 0.00 C ATOM 471 CD GLN A 30 -15.489 -8.270 -6.300 1.00 0.00 C ATOM 472 OE1 GLN A 30 -16.570 -8.816 -6.811 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 -14.915 -7.336 -6.846 1.00 0.00 N flip ATOM 0 H GLN A 30 -15.123 -9.304 -2.114 1.00 0.00 H new ATOM 0 HA GLN A 30 -14.962 -11.938 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -14.809 -10.849 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.338 -10.470 -4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.454 -8.277 -4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.913 -8.655 -4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.078 -6.935 -6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.274 -6.960 -7.723 1.00 0.00 H new ATOM 482 N PRO A 31 -12.422 -11.637 -3.817 1.00 0.00 N ATOM 483 CA PRO A 31 -10.987 -11.500 -3.779 1.00 0.00 C ATOM 484 C PRO A 31 -10.538 -10.524 -4.815 1.00 0.00 C ATOM 485 O PRO A 31 -10.963 -10.593 -5.971 1.00 0.00 O ATOM 486 CB PRO A 31 -10.454 -12.886 -4.142 1.00 0.00 C ATOM 487 CG PRO A 31 -11.625 -13.785 -4.103 1.00 0.00 C ATOM 488 CD PRO A 31 -12.818 -12.930 -4.396 1.00 0.00 C ATOM 0 HA PRO A 31 -10.637 -11.148 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.995 -12.883 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.688 -13.209 -3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.528 -14.583 -4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.718 -14.261 -3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.012 -12.855 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.724 -13.323 -3.934 1.00 0.00 H new ATOM 496 N MET A 32 -9.713 -9.631 -4.437 1.00 0.00 N ATOM 497 CA MET A 32 -9.222 -8.693 -5.362 1.00 0.00 C ATOM 498 C MET A 32 -7.802 -8.415 -5.048 1.00 0.00 C ATOM 499 O MET A 32 -7.391 -8.351 -3.872 1.00 0.00 O ATOM 500 CB MET A 32 -10.073 -7.412 -5.404 1.00 0.00 C ATOM 501 CG MET A 32 -9.835 -6.578 -6.672 1.00 0.00 C ATOM 502 SD MET A 32 -10.944 -5.157 -6.849 1.00 0.00 S ATOM 503 CE MET A 32 -10.466 -4.169 -5.449 1.00 0.00 C ATOM 0 H MET A 32 -9.360 -9.529 -3.485 1.00 0.00 H new ATOM 0 HA MET A 32 -9.289 -9.114 -6.365 1.00 0.00 H new ATOM 0 HB2 MET A 32 -11.128 -7.680 -5.344 1.00 0.00 H new ATOM 0 HB3 MET A 32 -9.849 -6.804 -4.528 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.805 -6.222 -6.670 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.948 -7.223 -7.543 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.734 -3.128 -5.630 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.982 -4.527 -4.558 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.389 -4.246 -5.300 1.00 0.00 H new ATOM 513 N THR A 33 -7.051 -8.304 -6.066 1.00 0.00 N ATOM 514 CA THR A 33 -5.685 -8.090 -5.946 1.00 0.00 C ATOM 515 C THR A 33 -5.451 -6.584 -5.912 1.00 0.00 C ATOM 516 O THR A 33 -5.588 -5.924 -6.901 1.00 0.00 O ATOM 517 CB THR A 33 -4.964 -8.742 -7.134 1.00 0.00 C ATOM 518 OG1 THR A 33 -5.547 -10.035 -7.399 1.00 0.00 O ATOM 519 CG2 THR A 33 -3.513 -8.944 -6.822 1.00 0.00 C ATOM 0 H THR A 33 -7.385 -8.362 -7.028 1.00 0.00 H new ATOM 0 HA THR A 33 -5.291 -8.536 -5.032 1.00 0.00 H new ATOM 0 HB THR A 33 -5.067 -8.086 -7.998 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.088 -10.451 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.018 -9.407 -7.676 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.048 -7.981 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.415 -9.591 -5.951 1.00 0.00 H new ATOM 527 N PHE A 34 -5.177 -6.074 -4.750 1.00 0.00 N ATOM 528 CA PHE A 34 -4.962 -4.681 -4.511 1.00 0.00 C ATOM 529 C PHE A 34 -3.540 -4.269 -4.817 1.00 0.00 C ATOM 530 O PHE A 34 -2.628 -5.112 -4.888 1.00 0.00 O ATOM 531 CB PHE A 34 -5.298 -4.312 -3.082 1.00 0.00 C ATOM 532 CG PHE A 34 -6.753 -4.236 -2.771 1.00 0.00 C ATOM 533 CD1 PHE A 34 -7.503 -5.371 -2.562 1.00 0.00 C ATOM 534 CD2 PHE A 34 -7.368 -3.002 -2.670 1.00 0.00 C ATOM 535 CE1 PHE A 34 -8.842 -5.276 -2.257 1.00 0.00 C ATOM 536 CE2 PHE A 34 -8.698 -2.901 -2.371 1.00 0.00 C ATOM 537 CZ PHE A 34 -9.437 -4.036 -2.162 1.00 0.00 C ATOM 0 H PHE A 34 -5.094 -6.642 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.629 -4.143 -5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.839 -5.044 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.844 -3.347 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.038 -6.343 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.789 -2.104 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.425 -6.170 -2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.165 -1.930 -2.300 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.487 -3.959 -1.922 1.00 0.00 H new ATOM 547 N ARG A 35 -3.363 -2.979 -4.960 1.00 0.00 N ATOM 548 CA ARG A 35 -2.136 -2.384 -5.335 1.00 0.00 C ATOM 549 C ARG A 35 -1.768 -1.330 -4.302 1.00 0.00 C ATOM 550 O ARG A 35 -2.652 -0.612 -3.808 1.00 0.00 O ATOM 551 CB ARG A 35 -2.332 -1.747 -6.725 1.00 0.00 C ATOM 552 CG ARG A 35 -1.047 -1.548 -7.499 1.00 0.00 C ATOM 553 CD ARG A 35 -0.316 -0.317 -7.056 1.00 0.00 C ATOM 554 NE ARG A 35 1.059 -0.304 -7.476 1.00 0.00 N ATOM 555 CZ ARG A 35 1.701 0.660 -8.126 1.00 0.00 C ATOM 556 NH1 ARG A 35 1.067 1.594 -8.830 1.00 0.00 N ATOM 557 NH2 ARG A 35 3.000 0.652 -8.103 1.00 0.00 N ATOM 0 H ARG A 35 -4.110 -2.301 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.331 -3.117 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.003 -2.376 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.825 -0.782 -6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.405 -2.419 -7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.271 -1.475 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.821 0.563 -7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.360 -0.245 -5.969 1.00 0.00 H new ATOM 0 HE ARG A 35 1.606 -1.134 -7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.049 1.587 -8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.599 2.317 -9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.497 -0.081 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.523 1.378 -8.592 1.00 0.00 H new ATOM 571 N LEU A 36 -0.494 -1.219 -3.989 1.00 0.00 N ATOM 572 CA LEU A 36 -0.036 -0.238 -3.048 1.00 0.00 C ATOM 573 C LEU A 36 0.021 1.145 -3.672 1.00 0.00 C ATOM 574 O LEU A 36 0.922 1.480 -4.436 1.00 0.00 O ATOM 575 CB LEU A 36 1.319 -0.604 -2.415 1.00 0.00 C ATOM 576 CG LEU A 36 1.357 -1.776 -1.433 1.00 0.00 C ATOM 577 CD1 LEU A 36 2.747 -1.922 -0.849 1.00 0.00 C ATOM 578 CD2 LEU A 36 0.366 -1.580 -0.319 1.00 0.00 C ATOM 0 H LEU A 36 0.243 -1.805 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.771 -0.225 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.018 -0.822 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.695 0.278 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 36 1.093 -2.681 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.762 -2.759 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.461 -2.105 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.019 -1.007 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.414 -2.428 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.603 -0.664 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.639 -1.506 -0.735 1.00 0.00 H new ATOM 590 N LEU A 37 -1.018 1.896 -3.406 1.00 0.00 N ATOM 591 CA LEU A 37 -1.082 3.321 -3.738 1.00 0.00 C ATOM 592 C LEU A 37 0.141 4.075 -3.322 1.00 0.00 C ATOM 593 O LEU A 37 0.640 3.915 -2.215 1.00 0.00 O ATOM 594 CB LEU A 37 -2.212 4.022 -3.041 1.00 0.00 C ATOM 595 CG LEU A 37 -3.439 4.402 -3.859 1.00 0.00 C ATOM 596 CD1 LEU A 37 -4.084 5.579 -3.302 1.00 0.00 C ATOM 597 CD2 LEU A 37 -3.090 4.777 -5.187 1.00 0.00 C ATOM 0 H LEU A 37 -1.859 1.544 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.204 3.323 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.543 3.385 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.814 4.934 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.086 3.525 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.958 5.833 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.394 5.373 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.384 6.415 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.992 5.041 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.418 5.635 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.593 3.943 -5.682 1.00 0.00 H new ATOM 609 N LEU A 38 0.550 4.927 -4.211 1.00 0.00 N ATOM 610 CA LEU A 38 1.635 5.866 -4.034 1.00 0.00 C ATOM 611 C LEU A 38 2.981 5.199 -3.718 1.00 0.00 C ATOM 612 O LEU A 38 3.899 5.839 -3.206 1.00 0.00 O ATOM 613 CB LEU A 38 1.324 6.992 -3.005 1.00 0.00 C ATOM 614 CG LEU A 38 0.329 8.092 -3.449 1.00 0.00 C ATOM 615 CD1 LEU A 38 0.847 8.801 -4.690 1.00 0.00 C ATOM 616 CD2 LEU A 38 -1.042 7.520 -3.713 1.00 0.00 C ATOM 0 H LEU A 38 0.118 4.996 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 38 1.731 6.339 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.933 6.526 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.264 7.474 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 38 0.243 8.812 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.138 9.572 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.811 9.260 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.964 8.080 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.716 8.319 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.978 6.772 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.424 7.055 -2.804 1.00 0.00 H new ATOM 628 N VAL A 39 3.137 3.989 -4.154 1.00 0.00 N ATOM 629 CA VAL A 39 4.220 3.153 -3.690 1.00 0.00 C ATOM 630 C VAL A 39 5.034 2.558 -4.816 1.00 0.00 C ATOM 631 O VAL A 39 4.495 1.997 -5.781 1.00 0.00 O ATOM 632 CB VAL A 39 3.659 2.031 -2.751 1.00 0.00 C ATOM 633 CG1 VAL A 39 4.620 0.897 -2.550 1.00 0.00 C ATOM 634 CG2 VAL A 39 3.318 2.600 -1.399 1.00 0.00 C ATOM 0 H VAL A 39 2.525 3.546 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 39 4.903 3.791 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 39 2.771 1.642 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.172 0.153 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.848 0.438 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.539 1.274 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.930 1.808 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.214 3.026 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.563 3.378 -1.512 1.00 0.00 H new ATOM 644 N ASP A 40 6.323 2.729 -4.722 1.00 0.00 N ATOM 645 CA ASP A 40 7.218 2.094 -5.634 1.00 0.00 C ATOM 646 C ASP A 40 8.036 1.088 -4.883 1.00 0.00 C ATOM 647 O ASP A 40 8.944 1.462 -4.123 1.00 0.00 O ATOM 648 CB ASP A 40 8.134 3.072 -6.322 1.00 0.00 C ATOM 649 CG ASP A 40 8.812 2.456 -7.536 1.00 0.00 C ATOM 650 OD1 ASP A 40 8.142 2.256 -8.575 1.00 0.00 O ATOM 651 OD2 ASP A 40 10.007 2.152 -7.476 1.00 0.00 O ATOM 0 H ASP A 40 6.775 3.309 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 40 6.621 1.614 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.564 3.948 -6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.892 3.416 -5.618 1.00 0.00 H new ATOM 656 N THR A 41 7.643 -0.140 -5.017 1.00 0.00 N ATOM 657 CA THR A 41 8.302 -1.287 -4.436 1.00 0.00 C ATOM 658 C THR A 41 8.621 -2.249 -5.556 1.00 0.00 C ATOM 659 O THR A 41 7.765 -2.488 -6.417 1.00 0.00 O ATOM 660 CB THR A 41 7.351 -2.004 -3.462 1.00 0.00 C ATOM 661 OG1 THR A 41 7.008 -1.138 -2.391 1.00 0.00 O ATOM 662 CG2 THR A 41 7.963 -3.267 -2.895 1.00 0.00 C ATOM 0 H THR A 41 6.816 -0.391 -5.558 1.00 0.00 H new ATOM 0 HA THR A 41 9.199 -0.966 -3.906 1.00 0.00 H new ATOM 0 HB THR A 41 6.461 -2.280 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.773 -1.048 -1.786 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.256 -3.739 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.198 -3.954 -3.708 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.877 -3.018 -2.355 1.00 0.00 H new ATOM 891 N GLY A 55 12.025 -6.785 -2.910 1.00 0.00 N ATOM 892 CA GLY A 55 10.675 -7.220 -3.029 1.00 0.00 C ATOM 893 C GLY A 55 10.300 -8.261 -1.996 1.00 0.00 C ATOM 894 O GLY A 55 9.265 -8.122 -1.365 1.00 0.00 O ATOM 0 HA2 GLY A 55 10.011 -6.361 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.517 -7.631 -4.026 1.00 0.00 H new ATOM 898 N PRO A 56 11.142 -9.320 -1.758 1.00 0.00 N ATOM 899 CA PRO A 56 10.824 -10.375 -0.784 1.00 0.00 C ATOM 900 C PRO A 56 10.589 -9.826 0.638 1.00 0.00 C ATOM 901 O PRO A 56 9.725 -10.313 1.374 1.00 0.00 O ATOM 902 CB PRO A 56 12.074 -11.272 -0.849 1.00 0.00 C ATOM 903 CG PRO A 56 13.142 -10.381 -1.347 1.00 0.00 C ATOM 904 CD PRO A 56 12.465 -9.590 -2.397 1.00 0.00 C ATOM 0 HA PRO A 56 9.895 -10.896 -1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.322 -11.679 0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.920 -12.120 -1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.536 -9.744 -0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 56 13.983 -10.947 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 56 13.003 -8.671 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 56 12.365 -10.146 -3.329 1.00 0.00 H new ATOM 912 N GLU A 57 11.314 -8.778 0.975 1.00 0.00 N ATOM 913 CA GLU A 57 11.227 -8.136 2.276 1.00 0.00 C ATOM 914 C GLU A 57 9.885 -7.382 2.357 1.00 0.00 C ATOM 915 O GLU A 57 9.084 -7.535 3.319 1.00 0.00 O ATOM 916 CB GLU A 57 12.405 -7.153 2.396 1.00 0.00 C ATOM 917 CG GLU A 57 12.636 -6.562 3.776 1.00 0.00 C ATOM 918 CD GLU A 57 13.016 -7.603 4.789 1.00 0.00 C ATOM 919 OE1 GLU A 57 14.139 -8.159 4.705 1.00 0.00 O ATOM 920 OE2 GLU A 57 12.209 -7.907 5.664 1.00 0.00 O ATOM 0 H GLU A 57 11.989 -8.341 0.347 1.00 0.00 H new ATOM 0 HA GLU A 57 11.275 -8.863 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.315 -7.666 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.244 -6.335 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.423 -5.810 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.731 -6.052 4.106 1.00 0.00 H new ATOM 927 N ALA A 58 9.622 -6.629 1.304 1.00 0.00 N ATOM 928 CA ALA A 58 8.427 -5.818 1.177 1.00 0.00 C ATOM 929 C ALA A 58 7.189 -6.667 1.194 1.00 0.00 C ATOM 930 O ALA A 58 6.203 -6.349 1.890 1.00 0.00 O ATOM 931 CB ALA A 58 8.475 -5.053 -0.111 1.00 0.00 C ATOM 0 H ALA A 58 10.245 -6.564 0.499 1.00 0.00 H new ATOM 0 HA ALA A 58 8.392 -5.133 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.576 -4.444 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.353 -4.408 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.530 -5.751 -0.947 1.00 0.00 H new ATOM 937 N SER A 59 7.253 -7.749 0.446 1.00 0.00 N ATOM 938 CA SER A 59 6.166 -8.686 0.317 1.00 0.00 C ATOM 939 C SER A 59 5.802 -9.198 1.687 1.00 0.00 C ATOM 940 O SER A 59 4.627 -9.237 2.054 1.00 0.00 O ATOM 941 CB SER A 59 6.568 -9.874 -0.572 1.00 0.00 C ATOM 942 OG SER A 59 5.427 -10.613 -1.001 1.00 0.00 O ATOM 0 H SER A 59 8.078 -8.003 -0.097 1.00 0.00 H new ATOM 0 HA SER A 59 5.318 -8.180 -0.143 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.116 -9.511 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.242 -10.530 -0.022 1.00 0.00 H new ATOM 0 HG SER A 59 5.350 -10.558 -1.976 1.00 0.00 H new ATOM 948 N ALA A 60 6.818 -9.465 2.499 1.00 0.00 N ATOM 949 CA ALA A 60 6.576 -10.065 3.763 1.00 0.00 C ATOM 950 C ALA A 60 6.179 -9.044 4.780 1.00 0.00 C ATOM 951 O ALA A 60 5.448 -9.359 5.701 1.00 0.00 O ATOM 952 CB ALA A 60 7.721 -10.937 4.218 1.00 0.00 C ATOM 0 H ALA A 60 7.797 -9.271 2.290 1.00 0.00 H new ATOM 0 HA ALA A 60 5.728 -10.740 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.484 -11.371 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.881 -11.735 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.626 -10.335 4.300 1.00 0.00 H new ATOM 958 N PHE A 61 6.627 -7.814 4.606 1.00 0.00 N ATOM 959 CA PHE A 61 6.185 -6.757 5.493 1.00 0.00 C ATOM 960 C PHE A 61 4.700 -6.498 5.248 1.00 0.00 C ATOM 961 O PHE A 61 3.865 -6.491 6.210 1.00 0.00 O ATOM 962 CB PHE A 61 6.979 -5.478 5.275 1.00 0.00 C ATOM 963 CG PHE A 61 6.801 -4.501 6.393 1.00 0.00 C ATOM 964 CD1 PHE A 61 5.730 -3.641 6.408 1.00 0.00 C ATOM 965 CD2 PHE A 61 7.699 -4.458 7.430 1.00 0.00 C ATOM 966 CE1 PHE A 61 5.559 -2.748 7.428 1.00 0.00 C ATOM 967 CE2 PHE A 61 7.534 -3.569 8.464 1.00 0.00 C ATOM 968 CZ PHE A 61 6.459 -2.704 8.461 1.00 0.00 C ATOM 0 H PHE A 61 7.281 -7.528 3.877 1.00 0.00 H new ATOM 0 HA PHE A 61 6.348 -7.073 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.036 -5.722 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.668 -5.015 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.012 -3.671 5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.544 -5.130 7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.714 -2.076 7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.244 -3.547 9.277 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.328 -1.997 9.267 1.00 0.00 H new ATOM 978 N THR A 62 4.366 -6.332 3.962 1.00 0.00 N ATOM 979 CA THR A 62 2.999 -6.107 3.547 1.00 0.00 C ATOM 980 C THR A 62 2.149 -7.266 4.056 1.00 0.00 C ATOM 981 O THR A 62 1.107 -7.063 4.756 1.00 0.00 O ATOM 982 CB THR A 62 2.889 -5.999 1.981 1.00 0.00 C ATOM 983 OG1 THR A 62 3.851 -5.061 1.504 1.00 0.00 O ATOM 984 CG2 THR A 62 1.515 -5.505 1.593 1.00 0.00 C ATOM 0 H THR A 62 5.038 -6.352 3.195 1.00 0.00 H new ATOM 0 HA THR A 62 2.645 -5.164 3.964 1.00 0.00 H new ATOM 0 HB THR A 62 3.066 -6.983 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.736 -5.482 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.447 -5.433 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.761 -6.202 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.344 -4.523 2.033 1.00 0.00 H new ATOM 992 N LYS A 63 2.671 -8.479 3.817 1.00 0.00 N ATOM 993 CA LYS A 63 1.978 -9.679 4.180 1.00 0.00 C ATOM 994 C LYS A 63 1.803 -9.781 5.675 1.00 0.00 C ATOM 995 O LYS A 63 0.735 -10.125 6.114 1.00 0.00 O ATOM 996 CB LYS A 63 2.642 -10.939 3.600 1.00 0.00 C ATOM 997 CG LYS A 63 3.443 -11.747 4.563 1.00 0.00 C ATOM 998 CD LYS A 63 4.142 -12.854 3.875 1.00 0.00 C ATOM 999 CE LYS A 63 4.718 -13.787 4.890 1.00 0.00 C ATOM 1000 NZ LYS A 63 5.334 -14.975 4.266 1.00 0.00 N ATOM 0 H LYS A 63 3.575 -8.633 3.371 1.00 0.00 H new ATOM 0 HA LYS A 63 0.986 -9.618 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.865 -11.576 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.291 -10.640 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.171 -11.107 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.789 -12.150 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.448 -13.389 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.933 -12.459 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.466 -13.260 5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.933 -14.105 5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.721 -15.595 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.615 -15.493 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.101 -14.675 3.630 1.00 0.00 H new ATOM 1014 N LYS A 64 2.841 -9.441 6.466 1.00 0.00 N ATOM 1015 CA LYS A 64 2.714 -9.533 7.875 1.00 0.00 C ATOM 1016 C LYS A 64 1.682 -8.603 8.337 1.00 0.00 C ATOM 1017 O LYS A 64 0.783 -9.043 9.033 1.00 0.00 O ATOM 1018 CB LYS A 64 4.067 -9.478 8.658 1.00 0.00 C ATOM 1019 CG LYS A 64 4.833 -8.168 8.689 1.00 0.00 C ATOM 1020 CD LYS A 64 4.217 -7.166 9.627 1.00 0.00 C ATOM 1021 CE LYS A 64 5.073 -5.923 9.746 1.00 0.00 C ATOM 1022 NZ LYS A 64 6.364 -6.220 10.407 1.00 0.00 N ATOM 0 H LYS A 64 3.746 -9.110 6.131 1.00 0.00 H new ATOM 0 HA LYS A 64 2.372 -10.539 8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.865 -9.769 9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.725 -10.237 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.863 -8.359 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.869 -7.747 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.224 -6.893 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.089 -7.617 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.256 -5.509 8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.537 -5.163 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.791 -5.335 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.203 -6.859 11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.006 -6.674 9.727 1.00 0.00 H new ATOM 1036 N MET A 65 1.719 -7.331 7.863 1.00 0.00 N ATOM 1037 CA MET A 65 0.701 -6.376 8.293 1.00 0.00 C ATOM 1038 C MET A 65 -0.667 -6.892 8.006 1.00 0.00 C ATOM 1039 O MET A 65 -1.493 -7.011 8.920 1.00 0.00 O ATOM 1040 CB MET A 65 0.869 -5.035 7.653 1.00 0.00 C ATOM 1041 CG MET A 65 2.136 -4.356 8.049 1.00 0.00 C ATOM 1042 SD MET A 65 2.342 -2.737 7.298 1.00 0.00 S ATOM 1043 CE MET A 65 1.076 -1.794 8.129 1.00 0.00 C ATOM 0 H MET A 65 2.415 -6.967 7.212 1.00 0.00 H new ATOM 0 HA MET A 65 0.829 -6.254 9.369 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.848 -5.150 6.569 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.024 -4.401 7.922 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.160 -4.251 9.134 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.980 -4.987 7.771 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.351 -1.435 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.572 -2.426 8.860 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.530 -0.943 8.637 1.00 0.00 H new ATOM 1053 N VAL A 66 -0.900 -7.281 6.771 1.00 0.00 N ATOM 1054 CA VAL A 66 -2.213 -7.776 6.437 1.00 0.00 C ATOM 1055 C VAL A 66 -2.584 -9.086 7.177 1.00 0.00 C ATOM 1056 O VAL A 66 -3.739 -9.294 7.520 1.00 0.00 O ATOM 1057 CB VAL A 66 -2.493 -7.837 4.919 1.00 0.00 C ATOM 1058 CG1 VAL A 66 -2.602 -6.431 4.358 1.00 0.00 C ATOM 1059 CG2 VAL A 66 -1.408 -8.585 4.190 1.00 0.00 C ATOM 0 H VAL A 66 -0.224 -7.266 6.008 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.897 -7.019 6.819 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.433 -8.369 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.799 -6.481 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.417 -5.904 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.667 -5.897 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.636 -8.609 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.453 -8.084 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.349 -9.604 4.572 1.00 0.00 H new ATOM 1069 N GLU A 67 -1.611 -9.936 7.471 1.00 0.00 N ATOM 1070 CA GLU A 67 -1.894 -11.129 8.241 1.00 0.00 C ATOM 1071 C GLU A 67 -2.221 -10.791 9.705 1.00 0.00 C ATOM 1072 O GLU A 67 -3.133 -11.388 10.297 1.00 0.00 O ATOM 1073 CB GLU A 67 -0.750 -12.156 8.223 1.00 0.00 C ATOM 1074 CG GLU A 67 -0.394 -12.779 6.877 1.00 0.00 C ATOM 1075 CD GLU A 67 0.334 -14.080 7.051 1.00 0.00 C ATOM 1076 OE1 GLU A 67 1.375 -14.111 7.731 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -0.149 -15.108 6.551 1.00 0.00 O ATOM 0 H GLU A 67 -0.637 -9.822 7.192 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.760 -11.577 7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.144 -11.673 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.008 -12.962 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.303 -12.944 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.226 -12.087 6.307 1.00 0.00 H new ATOM 1084 N ASN A 68 -1.502 -9.829 10.285 1.00 0.00 N ATOM 1085 CA ASN A 68 -1.685 -9.518 11.710 1.00 0.00 C ATOM 1086 C ASN A 68 -2.718 -8.495 11.939 1.00 0.00 C ATOM 1087 O ASN A 68 -3.113 -8.256 13.092 1.00 0.00 O ATOM 1088 CB ASN A 68 -0.399 -9.089 12.451 1.00 0.00 C ATOM 1089 CG ASN A 68 0.257 -7.806 12.002 1.00 0.00 C ATOM 1090 OD1 ASN A 68 1.380 -7.978 11.353 1.00 0.00 O flip ATOM 1091 ND2 ASN A 68 -0.157 -6.690 12.357 1.00 0.00 N flip ATOM 0 H ASN A 68 -0.802 -9.261 9.807 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.005 -10.472 12.129 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.634 -8.996 13.511 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.331 -9.893 12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.040 -6.610 12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.386 -5.853 12.144 1.00 0.00 H new ATOM 1098 N ALA A 69 -3.144 -7.853 10.908 1.00 0.00 N ATOM 1099 CA ALA A 69 -4.080 -6.855 11.067 1.00 0.00 C ATOM 1100 C ALA A 69 -5.439 -7.388 11.409 1.00 0.00 C ATOM 1101 O ALA A 69 -5.920 -8.367 10.841 1.00 0.00 O ATOM 1102 CB ALA A 69 -4.158 -5.973 9.880 1.00 0.00 C ATOM 0 H ALA A 69 -2.842 -8.020 9.948 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.737 -6.260 11.913 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.908 -5.201 10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.188 -5.506 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.435 -6.563 9.006 1.00 0.00 H new ATOM 1108 N LYS A 70 -6.024 -6.735 12.336 1.00 0.00 N ATOM 1109 CA LYS A 70 -7.363 -7.018 12.767 1.00 0.00 C ATOM 1110 C LYS A 70 -8.327 -6.167 11.964 1.00 0.00 C ATOM 1111 O LYS A 70 -9.517 -6.464 11.878 1.00 0.00 O ATOM 1112 CB LYS A 70 -7.568 -6.682 14.255 1.00 0.00 C ATOM 1113 CG LYS A 70 -6.913 -7.571 15.304 1.00 0.00 C ATOM 1114 CD LYS A 70 -5.413 -7.361 15.376 1.00 0.00 C ATOM 1115 CE LYS A 70 -4.892 -7.636 16.774 1.00 0.00 C ATOM 1116 NZ LYS A 70 -5.090 -9.034 17.220 1.00 0.00 N ATOM 0 H LYS A 70 -5.585 -5.964 12.839 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.542 -8.083 12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.212 -5.664 14.416 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.641 -6.679 14.448 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.354 -7.365 16.279 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.121 -8.616 15.074 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.916 -8.018 14.663 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.171 -6.338 15.089 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.828 -7.400 16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.390 -6.966 17.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.681 -9.157 18.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.107 -9.247 17.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.621 -9.681 16.554 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.799 -5.126 11.352 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.635 -4.157 10.650 1.00 0.00 C ATOM 1132 C LYS A 71 -8.082 -3.877 9.318 1.00 0.00 C ATOM 1133 O LYS A 71 -7.273 -2.972 9.163 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.656 -2.838 11.377 1.00 0.00 C ATOM 1135 CG LYS A 71 -9.832 -1.954 11.049 1.00 0.00 C ATOM 1136 CD LYS A 71 -9.822 -0.703 11.903 1.00 0.00 C ATOM 1137 CE LYS A 71 -11.031 0.184 11.637 1.00 0.00 C ATOM 1138 NZ LYS A 71 -12.311 -0.489 11.958 1.00 0.00 N ATOM 0 H LYS A 71 -6.799 -4.925 11.323 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.635 -4.587 10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.652 -3.030 12.450 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.738 -2.298 11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.803 -1.680 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.760 -2.502 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.804 -0.984 12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.910 -0.139 11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.946 1.096 12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.034 0.483 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.081 0.210 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.507 -1.221 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.246 -0.929 12.898 1.00 0.00 H new ATOM 1152 N ILE A 72 -8.419 -4.626 8.377 1.00 0.00 N ATOM 1153 CA ILE A 72 -7.939 -4.310 7.103 1.00 0.00 C ATOM 1154 C ILE A 72 -8.931 -3.510 6.379 1.00 0.00 C ATOM 1155 O ILE A 72 -10.023 -3.975 6.039 1.00 0.00 O ATOM 1156 CB ILE A 72 -7.489 -5.501 6.296 1.00 0.00 C ATOM 1157 CG1 ILE A 72 -6.378 -6.186 7.066 1.00 0.00 C ATOM 1158 CG2 ILE A 72 -6.973 -5.003 4.932 1.00 0.00 C ATOM 1159 CD1 ILE A 72 -6.012 -7.520 6.532 1.00 0.00 C ATOM 0 H ILE A 72 -9.014 -5.451 8.447 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.034 -3.720 7.251 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.306 -6.203 6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.495 -5.547 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.683 -6.293 8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.643 -5.853 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.774 -4.481 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.136 -4.322 5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.211 -7.946 7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.881 -8.177 6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.675 -7.419 5.500 1.00 0.00 H new ATOM 1171 N GLU A 73 -8.631 -2.292 6.274 1.00 0.00 N ATOM 1172 CA GLU A 73 -9.423 -1.448 5.463 1.00 0.00 C ATOM 1173 C GLU A 73 -8.675 -1.000 4.271 1.00 0.00 C ATOM 1174 O GLU A 73 -7.459 -1.099 4.196 1.00 0.00 O ATOM 1175 CB GLU A 73 -9.952 -0.265 6.195 1.00 0.00 C ATOM 1176 CG GLU A 73 -10.847 -0.642 7.332 1.00 0.00 C ATOM 1177 CD GLU A 73 -11.363 0.513 8.124 1.00 0.00 C ATOM 1178 OE1 GLU A 73 -10.569 1.321 8.625 1.00 0.00 O ATOM 1179 OE2 GLU A 73 -12.587 0.598 8.301 1.00 0.00 O ATOM 0 H GLU A 73 -7.841 -1.841 6.736 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.277 -2.050 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.118 0.325 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.502 0.371 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.694 -1.204 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.303 -1.310 8.000 1.00 0.00 H new ATOM 1186 N VAL A 74 -9.401 -0.536 3.348 1.00 0.00 N ATOM 1187 CA VAL A 74 -8.879 0.011 2.151 1.00 0.00 C ATOM 1188 C VAL A 74 -9.508 1.365 1.985 1.00 0.00 C ATOM 1189 O VAL A 74 -10.505 1.648 2.644 1.00 0.00 O ATOM 1190 CB VAL A 74 -9.219 -0.888 0.941 1.00 0.00 C ATOM 1191 CG1 VAL A 74 -8.546 -2.232 1.062 1.00 0.00 C ATOM 1192 CG2 VAL A 74 -10.705 -1.078 0.863 1.00 0.00 C ATOM 0 H VAL A 74 -10.420 -0.520 3.395 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.793 0.083 2.203 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.857 -0.401 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.801 -2.846 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.465 -2.095 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.884 -2.728 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.946 -1.712 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.060 -1.551 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.190 -0.109 0.744 1.00 0.00 H new ATOM 1202 N GLU A 75 -8.934 2.195 1.183 1.00 0.00 N ATOM 1203 CA GLU A 75 -9.473 3.499 0.938 1.00 0.00 C ATOM 1204 C GLU A 75 -9.174 3.895 -0.468 1.00 0.00 C ATOM 1205 O GLU A 75 -8.027 4.176 -0.807 1.00 0.00 O ATOM 1206 CB GLU A 75 -8.876 4.498 1.915 1.00 0.00 C ATOM 1207 CG GLU A 75 -9.469 5.890 1.858 1.00 0.00 C ATOM 1208 CD GLU A 75 -9.094 6.742 3.053 1.00 0.00 C ATOM 1209 OE1 GLU A 75 -7.916 7.105 3.224 1.00 0.00 O ATOM 1210 OE2 GLU A 75 -9.978 7.045 3.876 1.00 0.00 O ATOM 0 H GLU A 75 -8.074 1.992 0.674 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.553 3.485 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.998 4.110 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.805 4.569 1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.134 6.385 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.555 5.814 1.799 1.00 0.00 H new ATOM 1217 N PHE A 76 -10.166 3.849 -1.310 1.00 0.00 N ATOM 1218 CA PHE A 76 -9.964 4.248 -2.656 1.00 0.00 C ATOM 1219 C PHE A 76 -9.827 5.747 -2.741 1.00 0.00 C ATOM 1220 O PHE A 76 -10.552 6.498 -2.065 1.00 0.00 O ATOM 1221 CB PHE A 76 -11.008 3.670 -3.600 1.00 0.00 C ATOM 1222 CG PHE A 76 -10.879 2.183 -3.771 1.00 0.00 C ATOM 1223 CD1 PHE A 76 -11.508 1.291 -2.915 1.00 0.00 C ATOM 1224 CD2 PHE A 76 -10.106 1.681 -4.789 1.00 0.00 C ATOM 1225 CE1 PHE A 76 -11.355 -0.065 -3.092 1.00 0.00 C ATOM 1226 CE2 PHE A 76 -9.949 0.337 -4.970 1.00 0.00 C ATOM 1227 CZ PHE A 76 -10.574 -0.544 -4.121 1.00 0.00 C ATOM 0 H PHE A 76 -11.111 3.541 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.022 3.823 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.003 3.902 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.918 4.152 -4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.120 1.662 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.611 2.365 -5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.848 -0.755 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.335 -0.033 -5.778 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.454 -1.608 -4.260 1.00 0.00 H new ATOM 1237 N ASP A 77 -8.879 6.157 -3.543 1.00 0.00 N ATOM 1238 CA ASP A 77 -8.449 7.553 -3.614 1.00 0.00 C ATOM 1239 C ASP A 77 -9.353 8.353 -4.547 1.00 0.00 C ATOM 1240 O ASP A 77 -10.536 8.050 -4.696 1.00 0.00 O ATOM 1241 CB ASP A 77 -7.065 7.590 -4.149 1.00 0.00 C ATOM 1242 CG ASP A 77 -6.228 8.785 -3.616 1.00 0.00 C ATOM 1243 OD1 ASP A 77 -6.486 9.926 -4.036 1.00 0.00 O ATOM 1244 OD2 ASP A 77 -5.297 8.596 -2.846 1.00 0.00 O ATOM 0 H ASP A 77 -8.372 5.537 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.499 7.991 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.559 6.659 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.105 7.641 -5.237 1.00 0.00 H new ATOM 1249 N LYS A 78 -8.832 9.378 -5.165 1.00 0.00 N ATOM 1250 CA LYS A 78 -9.635 10.137 -6.084 1.00 0.00 C ATOM 1251 C LYS A 78 -9.135 10.020 -7.514 1.00 0.00 C ATOM 1252 O LYS A 78 -9.539 10.768 -8.406 1.00 0.00 O ATOM 1253 CB LYS A 78 -9.802 11.587 -5.630 1.00 0.00 C ATOM 1254 CG LYS A 78 -8.493 12.367 -5.574 1.00 0.00 C ATOM 1255 CD LYS A 78 -8.659 13.750 -4.970 1.00 0.00 C ATOM 1256 CE LYS A 78 -9.029 13.670 -3.497 1.00 0.00 C ATOM 1257 NZ LYS A 78 -9.170 15.008 -2.879 1.00 0.00 N ATOM 0 H LYS A 78 -7.872 9.703 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.632 9.697 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.488 12.094 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.264 11.598 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.765 11.805 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.088 12.462 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.732 14.312 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.432 14.295 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.965 13.122 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.265 13.104 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.423 14.902 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.270 15.523 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.917 15.540 -3.370 1.00 0.00 H new ATOM 1271 N GLY A 79 -8.301 9.064 -7.740 1.00 0.00 N ATOM 1272 CA GLY A 79 -7.776 8.862 -9.033 1.00 0.00 C ATOM 1273 C GLY A 79 -8.398 7.727 -9.777 1.00 0.00 C ATOM 1274 O GLY A 79 -9.123 7.909 -10.746 1.00 0.00 O ATOM 0 H GLY A 79 -7.969 8.407 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.906 9.776 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.703 8.685 -8.954 1.00 0.00 H new ATOM 1278 N GLN A 80 -8.155 6.555 -9.270 1.00 0.00 N ATOM 1279 CA GLN A 80 -8.427 5.351 -9.962 1.00 0.00 C ATOM 1280 C GLN A 80 -8.791 4.311 -8.951 1.00 0.00 C ATOM 1281 O GLN A 80 -8.778 4.599 -7.748 1.00 0.00 O ATOM 1282 CB GLN A 80 -7.126 4.942 -10.615 1.00 0.00 C ATOM 1283 CG GLN A 80 -7.257 4.320 -11.953 1.00 0.00 C ATOM 1284 CD GLN A 80 -7.769 5.347 -12.910 1.00 0.00 C ATOM 1285 OE1 GLN A 80 -8.958 5.457 -13.158 1.00 0.00 O ATOM 1286 NE2 GLN A 80 -6.880 6.181 -13.345 1.00 0.00 N ATOM 0 H GLN A 80 -7.753 6.417 -8.343 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.230 5.465 -10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.490 5.823 -10.703 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.612 4.242 -9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.293 3.938 -12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.939 3.470 -11.910 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.897 6.046 -13.110 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.163 6.973 -13.922 1.00 0.00 H new ATOM 1295 N ARG A 81 -9.139 3.132 -9.413 1.00 0.00 N ATOM 1296 CA ARG A 81 -9.402 2.027 -8.511 1.00 0.00 C ATOM 1297 C ARG A 81 -8.537 0.827 -8.876 1.00 0.00 C ATOM 1298 O ARG A 81 -8.440 -0.120 -8.133 1.00 0.00 O ATOM 1299 CB ARG A 81 -10.871 1.608 -8.545 1.00 0.00 C ATOM 1300 CG ARG A 81 -11.863 2.732 -8.379 1.00 0.00 C ATOM 1301 CD ARG A 81 -11.637 3.467 -7.096 1.00 0.00 C ATOM 1302 NE ARG A 81 -12.681 4.449 -6.851 1.00 0.00 N ATOM 1303 CZ ARG A 81 -12.456 5.680 -6.442 1.00 0.00 C ATOM 1304 NH1 ARG A 81 -11.214 6.126 -6.359 1.00 0.00 N ATOM 1305 NH2 ARG A 81 -13.470 6.478 -6.164 1.00 0.00 N ATOM 0 H ARG A 81 -9.247 2.911 -10.403 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.160 2.369 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.068 1.108 -9.493 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.042 0.875 -7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.777 3.423 -9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.877 2.332 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.604 2.757 -6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.668 3.965 -7.127 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.649 4.166 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.436 5.517 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.034 7.079 -6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.427 6.141 -6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.296 7.432 -5.847 1.00 0.00 H new ATOM 1319 N THR A 82 -7.920 0.892 -10.020 1.00 0.00 N ATOM 1320 CA THR A 82 -7.127 -0.196 -10.562 1.00 0.00 C ATOM 1321 C THR A 82 -5.724 0.236 -11.137 1.00 0.00 C ATOM 1322 O THR A 82 -5.596 1.312 -11.741 1.00 0.00 O ATOM 1323 CB THR A 82 -7.923 -1.006 -11.625 1.00 0.00 C ATOM 1324 OG1 THR A 82 -8.409 -0.139 -12.681 1.00 0.00 O ATOM 1325 CG2 THR A 82 -9.098 -1.755 -10.995 1.00 0.00 C ATOM 0 H THR A 82 -7.949 1.715 -10.622 1.00 0.00 H new ATOM 0 HA THR A 82 -6.913 -0.835 -9.705 1.00 0.00 H new ATOM 0 HB THR A 82 -7.236 -1.736 -12.052 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.905 -0.670 -13.338 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.632 -2.310 -11.767 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.725 -2.449 -10.241 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.776 -1.041 -10.527 1.00 0.00 H new ATOM 1333 N ASP A 83 -4.667 -0.608 -10.905 1.00 0.00 N ATOM 1334 CA ASP A 83 -3.282 -0.343 -11.440 1.00 0.00 C ATOM 1335 C ASP A 83 -2.578 -1.693 -11.756 1.00 0.00 C ATOM 1336 O ASP A 83 -3.199 -2.707 -11.671 1.00 0.00 O ATOM 1337 CB ASP A 83 -2.474 0.431 -10.398 1.00 0.00 C ATOM 1338 CG ASP A 83 -1.246 1.217 -10.886 1.00 0.00 C ATOM 1339 OD1 ASP A 83 -0.347 0.649 -11.537 1.00 0.00 O ATOM 1340 OD2 ASP A 83 -1.132 2.392 -10.543 1.00 0.00 O ATOM 0 H ASP A 83 -4.743 -1.466 -10.359 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.351 0.247 -12.354 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.147 1.132 -9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.140 -0.277 -9.639 1.00 0.00 H new ATOM 1345 N LYS A 84 -1.274 -1.679 -12.050 1.00 0.00 N ATOM 1346 CA LYS A 84 -0.476 -2.844 -12.496 1.00 0.00 C ATOM 1347 C LYS A 84 -1.086 -3.497 -13.744 1.00 0.00 C ATOM 1348 O LYS A 84 -0.755 -3.151 -14.878 1.00 0.00 O ATOM 1349 CB LYS A 84 -0.297 -3.899 -11.388 1.00 0.00 C ATOM 1350 CG LYS A 84 0.488 -3.472 -10.159 1.00 0.00 C ATOM 1351 CD LYS A 84 1.953 -3.220 -10.459 1.00 0.00 C ATOM 1352 CE LYS A 84 2.736 -3.087 -9.165 1.00 0.00 C ATOM 1353 NZ LYS A 84 4.183 -2.949 -9.390 1.00 0.00 N ATOM 0 H LYS A 84 -0.717 -0.827 -11.984 1.00 0.00 H new ATOM 0 HA LYS A 84 0.511 -2.455 -12.746 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.286 -4.223 -11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.197 -4.768 -11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.045 -2.566 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.406 -4.244 -9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.356 -4.039 -11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.060 -2.312 -11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.374 -2.220 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.551 -3.962 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.606 -2.411 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.619 -3.892 -9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.349 -2.446 -10.285 1.00 0.00 H new ATOM 1367 N TYR A 85 -2.026 -4.380 -13.504 1.00 0.00 N ATOM 1368 CA TYR A 85 -2.731 -5.129 -14.536 1.00 0.00 C ATOM 1369 C TYR A 85 -4.213 -5.073 -14.239 1.00 0.00 C ATOM 1370 O TYR A 85 -4.992 -5.918 -14.663 1.00 0.00 O ATOM 1371 CB TYR A 85 -2.246 -6.593 -14.589 1.00 0.00 C ATOM 1372 CG TYR A 85 -0.821 -6.768 -15.086 1.00 0.00 C ATOM 1373 CD1 TYR A 85 -0.555 -6.898 -16.440 1.00 0.00 C ATOM 1374 CD2 TYR A 85 0.251 -6.802 -14.204 1.00 0.00 C ATOM 1375 CE1 TYR A 85 0.738 -7.058 -16.904 1.00 0.00 C ATOM 1376 CE2 TYR A 85 1.547 -6.961 -14.658 1.00 0.00 C ATOM 1377 CZ TYR A 85 1.784 -7.089 -16.009 1.00 0.00 C ATOM 1378 OH TYR A 85 3.075 -7.240 -16.471 1.00 0.00 O ATOM 0 H TYR A 85 -2.336 -4.609 -12.560 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.528 -4.684 -15.510 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.325 -7.025 -13.591 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.915 -7.161 -15.236 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.372 -6.874 -17.146 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.069 -6.702 -13.144 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.926 -7.158 -17.963 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.369 -6.985 -13.958 1.00 0.00 H new ATOM 0 HH TYR A 85 3.696 -7.241 -15.713 1.00 0.00 H new ATOM 1388 N GLY A 86 -4.579 -4.051 -13.511 1.00 0.00 N ATOM 1389 CA GLY A 86 -5.943 -3.834 -13.122 1.00 0.00 C ATOM 1390 C GLY A 86 -6.200 -4.338 -11.717 1.00 0.00 C ATOM 1391 O GLY A 86 -7.277 -4.816 -11.375 1.00 0.00 O ATOM 0 H GLY A 86 -3.931 -3.341 -13.170 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.175 -2.770 -13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.608 -4.342 -13.820 1.00 0.00 H new ATOM 1395 N ARG A 87 -5.174 -4.217 -10.918 1.00 0.00 N ATOM 1396 CA ARG A 87 -5.180 -4.539 -9.504 1.00 0.00 C ATOM 1397 C ARG A 87 -5.867 -3.379 -8.811 1.00 0.00 C ATOM 1398 O ARG A 87 -6.044 -2.397 -9.422 1.00 0.00 O ATOM 1399 CB ARG A 87 -3.730 -4.671 -9.021 1.00 0.00 C ATOM 1400 CG ARG A 87 -2.912 -5.658 -9.833 1.00 0.00 C ATOM 1401 CD ARG A 87 -3.497 -7.048 -9.778 1.00 0.00 C ATOM 1402 NE ARG A 87 -2.748 -7.992 -10.585 1.00 0.00 N ATOM 1403 CZ ARG A 87 -3.218 -9.142 -11.070 1.00 0.00 C ATOM 1404 NH1 ARG A 87 -4.481 -9.514 -10.846 1.00 0.00 N ATOM 1405 NH2 ARG A 87 -2.423 -9.922 -11.781 1.00 0.00 N ATOM 0 H ARG A 87 -4.269 -3.877 -11.243 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.696 -5.476 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.251 -3.693 -9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.730 -4.983 -7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.864 -5.324 -10.870 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.889 -5.679 -9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.515 -7.392 -8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.531 -7.019 -10.122 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.779 -7.756 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.099 -8.916 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.827 -10.396 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.458 -9.643 -11.955 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.775 -10.803 -12.155 1.00 0.00 H new ATOM 1419 N GLY A 88 -6.136 -3.439 -7.555 1.00 0.00 N ATOM 1420 CA GLY A 88 -6.955 -2.431 -6.980 1.00 0.00 C ATOM 1421 C GLY A 88 -6.187 -1.473 -6.211 1.00 0.00 C ATOM 1422 O GLY A 88 -5.703 -1.722 -5.124 1.00 0.00 O ATOM 0 H GLY A 88 -5.808 -4.162 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.495 -1.910 -7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.702 -2.896 -6.336 1.00 0.00 H new ATOM 1426 N LEU A 89 -6.101 -0.410 -6.794 1.00 0.00 N ATOM 1427 CA LEU A 89 -5.319 0.656 -6.473 1.00 0.00 C ATOM 1428 C LEU A 89 -6.069 1.531 -5.469 1.00 0.00 C ATOM 1429 O LEU A 89 -7.084 2.143 -5.802 1.00 0.00 O ATOM 1430 CB LEU A 89 -5.110 1.262 -7.858 1.00 0.00 C ATOM 1431 CG LEU A 89 -4.299 2.498 -8.071 1.00 0.00 C ATOM 1432 CD1 LEU A 89 -5.000 3.739 -7.576 1.00 0.00 C ATOM 1433 CD2 LEU A 89 -2.951 2.275 -7.445 1.00 0.00 C ATOM 0 H LEU A 89 -6.654 -0.229 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.368 0.466 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.663 0.484 -8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.101 1.463 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.166 2.682 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.368 4.609 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.944 3.860 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.195 3.645 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.334 3.163 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.072 2.081 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.468 1.419 -7.917 1.00 0.00 H new ATOM 1445 N ALA A 90 -5.581 1.534 -4.236 1.00 0.00 N ATOM 1446 CA ALA A 90 -6.202 2.239 -3.138 1.00 0.00 C ATOM 1447 C ALA A 90 -5.244 2.273 -1.980 1.00 0.00 C ATOM 1448 O ALA A 90 -4.153 1.667 -2.047 1.00 0.00 O ATOM 1449 CB ALA A 90 -7.455 1.503 -2.694 1.00 0.00 C ATOM 0 H ALA A 90 -4.730 1.037 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.460 3.248 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.918 2.040 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.157 1.444 -3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.190 0.496 -2.371 1.00 0.00 H new ATOM 1455 N TYR A 91 -5.614 2.977 -0.941 1.00 0.00 N ATOM 1456 CA TYR A 91 -4.865 2.954 0.262 1.00 0.00 C ATOM 1457 C TYR A 91 -5.247 1.760 1.033 1.00 0.00 C ATOM 1458 O TYR A 91 -6.391 1.327 0.991 1.00 0.00 O ATOM 1459 CB TYR A 91 -5.048 4.212 1.093 1.00 0.00 C ATOM 1460 CG TYR A 91 -4.227 5.338 0.605 1.00 0.00 C ATOM 1461 CD1 TYR A 91 -2.872 5.186 0.529 1.00 0.00 C ATOM 1462 CD2 TYR A 91 -4.783 6.542 0.226 1.00 0.00 C ATOM 1463 CE1 TYR A 91 -2.067 6.174 0.089 1.00 0.00 C ATOM 1464 CE2 TYR A 91 -3.981 7.567 -0.224 1.00 0.00 C ATOM 1465 CZ TYR A 91 -2.615 7.379 -0.293 1.00 0.00 C ATOM 1466 OH TYR A 91 -1.794 8.399 -0.749 1.00 0.00 O ATOM 0 H TYR A 91 -6.440 3.575 -0.917 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.807 2.915 0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.099 4.501 1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.787 3.999 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.432 4.247 0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.852 6.682 0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.999 6.022 0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.417 8.510 -0.520 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.900 8.042 -0.932 1.00 0.00 H new ATOM 1476 N ILE A 92 -4.315 1.210 1.687 1.00 0.00 N ATOM 1477 CA ILE A 92 -4.540 0.033 2.432 1.00 0.00 C ATOM 1478 C ILE A 92 -4.136 0.223 3.894 1.00 0.00 C ATOM 1479 O ILE A 92 -3.007 0.653 4.210 1.00 0.00 O ATOM 1480 CB ILE A 92 -3.834 -1.166 1.769 1.00 0.00 C ATOM 1481 CG1 ILE A 92 -3.926 -2.405 2.625 1.00 0.00 C ATOM 1482 CG2 ILE A 92 -2.417 -0.825 1.400 1.00 0.00 C ATOM 1483 CD1 ILE A 92 -3.326 -3.643 1.992 1.00 0.00 C ATOM 0 H ILE A 92 -3.358 1.562 1.727 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.608 -0.186 2.434 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.357 -1.393 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.423 -2.216 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.974 -2.599 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.944 -1.690 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.414 0.011 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.864 -0.548 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.434 -4.488 2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.843 -3.861 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.269 -3.472 1.790 1.00 0.00 H new ATOM 1495 N TYR A 93 -5.058 -0.080 4.759 1.00 0.00 N ATOM 1496 CA TYR A 93 -4.917 0.091 6.170 1.00 0.00 C ATOM 1497 C TYR A 93 -4.964 -1.264 6.839 1.00 0.00 C ATOM 1498 O TYR A 93 -5.938 -2.003 6.706 1.00 0.00 O ATOM 1499 CB TYR A 93 -6.035 0.998 6.698 1.00 0.00 C ATOM 1500 CG TYR A 93 -5.976 2.424 6.174 1.00 0.00 C ATOM 1501 CD1 TYR A 93 -6.623 2.787 5.000 1.00 0.00 C ATOM 1502 CD2 TYR A 93 -5.289 3.409 6.865 1.00 0.00 C ATOM 1503 CE1 TYR A 93 -6.582 4.076 4.532 1.00 0.00 C ATOM 1504 CE2 TYR A 93 -5.242 4.708 6.401 1.00 0.00 C ATOM 1505 CZ TYR A 93 -5.888 5.041 5.230 1.00 0.00 C ATOM 1506 OH TYR A 93 -5.845 6.352 4.762 1.00 0.00 O ATOM 0 H TYR A 93 -5.962 -0.467 4.488 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.961 0.564 6.394 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.998 0.563 6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.987 1.020 7.787 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.169 2.039 4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.781 3.156 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.094 4.335 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.701 5.461 6.954 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.525 6.474 4.067 1.00 0.00 H new ATOM 1516 N ALA A 94 -3.956 -1.538 7.614 1.00 0.00 N ATOM 1517 CA ALA A 94 -3.740 -2.825 8.218 1.00 0.00 C ATOM 1518 C ALA A 94 -3.751 -2.584 9.658 1.00 0.00 C ATOM 1519 O ALA A 94 -2.832 -1.981 10.203 1.00 0.00 O ATOM 1520 CB ALA A 94 -2.409 -3.452 7.795 1.00 0.00 C ATOM 0 H ALA A 94 -3.239 -0.853 7.852 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.510 -3.529 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.294 -4.422 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.396 -3.582 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.588 -2.799 8.092 1.00 0.00 H new ATOM 1526 N ASP A 95 -4.887 -2.866 10.231 1.00 0.00 N ATOM 1527 CA ASP A 95 -5.184 -2.635 11.636 1.00 0.00 C ATOM 1528 C ASP A 95 -5.318 -1.132 11.838 1.00 0.00 C ATOM 1529 O ASP A 95 -5.462 -0.611 12.928 1.00 0.00 O ATOM 1530 CB ASP A 95 -4.133 -3.289 12.555 1.00 0.00 C ATOM 1531 CG ASP A 95 -4.424 -3.134 14.012 1.00 0.00 C ATOM 1532 OD1 ASP A 95 -5.245 -3.896 14.533 1.00 0.00 O ATOM 1533 OD2 ASP A 95 -3.808 -2.278 14.665 1.00 0.00 O ATOM 0 H ASP A 95 -5.668 -3.279 9.722 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.124 -3.111 11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -4.068 -4.351 12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.157 -2.854 12.341 1.00 0.00 H new ATOM 1538 N GLY A 96 -5.343 -0.467 10.721 1.00 0.00 N ATOM 1539 CA GLY A 96 -5.427 0.917 10.678 1.00 0.00 C ATOM 1540 C GLY A 96 -4.147 1.561 10.264 1.00 0.00 C ATOM 1541 O GLY A 96 -4.101 2.756 9.987 1.00 0.00 O ATOM 0 H GLY A 96 -5.303 -0.909 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.216 1.207 9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.715 1.290 11.661 1.00 0.00 H new ATOM 1545 N LYS A 97 -3.108 0.783 10.223 1.00 0.00 N ATOM 1546 CA LYS A 97 -1.824 1.284 9.847 1.00 0.00 C ATOM 1547 C LYS A 97 -1.727 1.211 8.354 1.00 0.00 C ATOM 1548 O LYS A 97 -1.937 0.159 7.775 1.00 0.00 O ATOM 1549 CB LYS A 97 -0.780 0.413 10.464 1.00 0.00 C ATOM 1550 CG LYS A 97 -0.849 0.359 11.979 1.00 0.00 C ATOM 1551 CD LYS A 97 -0.636 -1.051 12.482 1.00 0.00 C ATOM 1552 CE LYS A 97 -0.521 -1.110 14.005 1.00 0.00 C ATOM 1553 NZ LYS A 97 -1.741 -0.635 14.694 1.00 0.00 N ATOM 0 H LYS A 97 -3.127 -0.212 10.448 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.683 2.312 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.882 -0.597 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.204 0.774 10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.093 1.019 12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.818 0.726 12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.465 -1.680 12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.269 -1.461 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.314 -2.136 14.309 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.329 -0.506 14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.587 -0.650 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.956 0.336 14.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.539 -1.257 14.455 1.00 0.00 H new ATOM 1567 N MET A 98 -1.441 2.299 7.742 1.00 0.00 N ATOM 1568 CA MET A 98 -1.370 2.369 6.319 1.00 0.00 C ATOM 1569 C MET A 98 -0.161 1.638 5.832 1.00 0.00 C ATOM 1570 O MET A 98 0.985 2.029 6.096 1.00 0.00 O ATOM 1571 CB MET A 98 -1.435 3.818 5.846 1.00 0.00 C ATOM 1572 CG MET A 98 -1.209 4.034 4.355 1.00 0.00 C ATOM 1573 SD MET A 98 -2.198 5.393 3.721 1.00 0.00 S ATOM 1574 CE MET A 98 -1.755 6.709 4.845 1.00 0.00 C ATOM 0 H MET A 98 -1.246 3.181 8.215 1.00 0.00 H new ATOM 0 HA MET A 98 -2.236 1.872 5.882 1.00 0.00 H new ATOM 0 HB2 MET A 98 -2.411 4.224 6.110 1.00 0.00 H new ATOM 0 HB3 MET A 98 -0.691 4.395 6.395 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.154 4.237 4.173 1.00 0.00 H new ATOM 0 HG3 MET A 98 -1.456 3.121 3.814 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.806 7.665 4.324 1.00 0.00 H new ATOM 0 HE2 MET A 98 -2.447 6.717 5.687 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.741 6.549 5.211 1.00 0.00 H new ATOM 1584 N VAL A 99 -0.435 0.559 5.147 1.00 0.00 N ATOM 1585 CA VAL A 99 0.570 -0.354 4.645 1.00 0.00 C ATOM 1586 C VAL A 99 1.430 0.351 3.631 1.00 0.00 C ATOM 1587 O VAL A 99 2.633 0.151 3.583 1.00 0.00 O ATOM 1588 CB VAL A 99 -0.103 -1.590 3.999 1.00 0.00 C ATOM 1589 CG1 VAL A 99 0.897 -2.588 3.501 1.00 0.00 C ATOM 1590 CG2 VAL A 99 -1.063 -2.247 4.948 1.00 0.00 C ATOM 0 H VAL A 99 -1.388 0.279 4.914 1.00 0.00 H new ATOM 0 HA VAL A 99 1.192 -0.690 5.475 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.659 -1.222 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.375 -3.436 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.534 -2.121 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.510 -2.935 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.519 -3.111 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.528 -2.571 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.840 -1.537 5.229 1.00 0.00 H new ATOM 1600 N ASN A 100 0.808 1.249 2.880 1.00 0.00 N ATOM 1601 CA ASN A 100 1.516 1.992 1.841 1.00 0.00 C ATOM 1602 C ASN A 100 2.652 2.781 2.523 1.00 0.00 C ATOM 1603 O ASN A 100 3.882 2.664 2.172 1.00 0.00 O ATOM 1604 CB ASN A 100 0.566 2.974 1.106 1.00 0.00 C ATOM 1605 CG ASN A 100 -0.743 2.377 0.653 1.00 0.00 C ATOM 1606 OD1 ASN A 100 -1.693 2.283 1.427 1.00 0.00 O ATOM 1607 ND2 ASN A 100 -0.834 2.052 -0.586 1.00 0.00 N ATOM 0 H ASN A 100 -0.181 1.482 2.968 1.00 0.00 H new ATOM 0 HA ASN A 100 1.910 1.298 1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.355 3.815 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.085 3.375 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.717 1.702 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.023 2.144 -1.198 1.00 0.00 H new ATOM 1614 N GLU A 101 2.231 3.479 3.591 1.00 0.00 N ATOM 1615 CA GLU A 101 3.095 4.282 4.421 1.00 0.00 C ATOM 1616 C GLU A 101 4.137 3.402 4.985 1.00 0.00 C ATOM 1617 O GLU A 101 5.275 3.615 4.773 1.00 0.00 O ATOM 1618 CB GLU A 101 2.339 4.853 5.610 1.00 0.00 C ATOM 1619 CG GLU A 101 3.115 5.926 6.377 1.00 0.00 C ATOM 1620 CD GLU A 101 2.467 6.326 7.675 1.00 0.00 C ATOM 1621 OE1 GLU A 101 1.244 6.507 7.721 1.00 0.00 O ATOM 1622 OE2 GLU A 101 3.188 6.504 8.669 1.00 0.00 O ATOM 0 H GLU A 101 1.257 3.490 3.894 1.00 0.00 H new ATOM 0 HA GLU A 101 3.500 5.089 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.398 5.278 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.088 4.041 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.121 5.559 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.219 6.808 5.746 1.00 0.00 H new ATOM 1629 N ALA A 102 3.699 2.374 5.670 1.00 0.00 N ATOM 1630 CA ALA A 102 4.569 1.470 6.362 1.00 0.00 C ATOM 1631 C ALA A 102 5.638 0.881 5.452 1.00 0.00 C ATOM 1632 O ALA A 102 6.809 0.832 5.824 1.00 0.00 O ATOM 1633 CB ALA A 102 3.758 0.413 7.036 1.00 0.00 C ATOM 0 H ALA A 102 2.710 2.143 5.760 1.00 0.00 H new ATOM 0 HA ALA A 102 5.111 2.031 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.421 -0.274 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.076 0.877 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.184 -0.136 6.290 1.00 0.00 H new ATOM 1639 N LEU A 103 5.267 0.543 4.230 1.00 0.00 N ATOM 1640 CA LEU A 103 6.224 -0.007 3.294 1.00 0.00 C ATOM 1641 C LEU A 103 7.209 1.056 2.879 1.00 0.00 C ATOM 1642 O LEU A 103 8.431 0.824 2.880 1.00 0.00 O ATOM 1643 CB LEU A 103 5.552 -0.638 2.066 1.00 0.00 C ATOM 1644 CG LEU A 103 5.225 -2.138 2.160 1.00 0.00 C ATOM 1645 CD1 LEU A 103 6.497 -2.949 2.250 1.00 0.00 C ATOM 1646 CD2 LEU A 103 4.357 -2.437 3.357 1.00 0.00 C ATOM 0 H LEU A 103 4.319 0.639 3.867 1.00 0.00 H new ATOM 0 HA LEU A 103 6.755 -0.811 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.626 -0.098 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.201 -0.483 1.204 1.00 0.00 H new ATOM 0 HG LEU A 103 4.679 -2.412 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.249 -4.008 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.104 -2.773 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.056 -2.651 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.144 -3.505 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.877 -2.139 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.422 -1.883 3.276 1.00 0.00 H new ATOM 1658 N VAL A 104 6.704 2.254 2.582 1.00 0.00 N ATOM 1659 CA VAL A 104 7.612 3.345 2.203 1.00 0.00 C ATOM 1660 C VAL A 104 8.342 3.920 3.447 1.00 0.00 C ATOM 1661 O VAL A 104 9.365 4.582 3.339 1.00 0.00 O ATOM 1662 CB VAL A 104 6.869 4.459 1.405 1.00 0.00 C ATOM 1663 CG1 VAL A 104 5.920 5.233 2.235 1.00 0.00 C ATOM 1664 CG2 VAL A 104 7.799 5.363 0.642 1.00 0.00 C ATOM 0 H VAL A 104 5.712 2.492 2.594 1.00 0.00 H new ATOM 0 HA VAL A 104 8.370 2.930 1.539 1.00 0.00 H new ATOM 0 HB VAL A 104 6.276 3.923 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.435 5.992 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.165 4.562 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.459 5.715 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.218 6.116 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.480 5.855 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.373 4.774 -0.073 1.00 0.00 H new ATOM 1674 N ARG A 105 7.839 3.570 4.614 1.00 0.00 N ATOM 1675 CA ARG A 105 8.337 4.046 5.886 1.00 0.00 C ATOM 1676 C ARG A 105 9.448 3.175 6.290 1.00 0.00 C ATOM 1677 O ARG A 105 10.344 3.607 6.944 1.00 0.00 O ATOM 1678 CB ARG A 105 7.229 3.948 6.941 1.00 0.00 C ATOM 1679 CG ARG A 105 7.530 4.534 8.305 1.00 0.00 C ATOM 1680 CD ARG A 105 7.777 6.021 8.227 1.00 0.00 C ATOM 1681 NE ARG A 105 7.813 6.631 9.556 1.00 0.00 N ATOM 1682 CZ ARG A 105 7.115 7.698 9.955 1.00 0.00 C ATOM 1683 NH1 ARG A 105 6.164 8.221 9.176 1.00 0.00 N ATOM 1684 NH2 ARG A 105 7.330 8.196 11.162 1.00 0.00 N ATOM 0 H ARG A 105 7.051 2.929 4.704 1.00 0.00 H new ATOM 0 HA ARG A 105 8.663 5.082 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.341 4.442 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.977 2.896 7.072 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.696 4.338 8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.405 4.041 8.729 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.721 6.207 7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.993 6.490 7.632 1.00 0.00 H new ATOM 0 HE ARG A 105 8.430 6.200 10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.964 7.805 8.266 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.638 9.036 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.022 7.766 11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.804 9.010 11.479 1.00 0.00 H new ATOM 1698 N GLN A 106 9.325 1.919 5.922 1.00 0.00 N ATOM 1699 CA GLN A 106 10.269 0.920 6.176 1.00 0.00 C ATOM 1700 C GLN A 106 11.417 0.893 5.206 1.00 0.00 C ATOM 1701 O GLN A 106 12.383 0.171 5.425 1.00 0.00 O ATOM 1702 CB GLN A 106 9.582 -0.396 6.127 1.00 0.00 C ATOM 1703 CG GLN A 106 9.095 -0.870 7.458 1.00 0.00 C ATOM 1704 CD GLN A 106 10.239 -1.237 8.379 1.00 0.00 C ATOM 1705 OE1 GLN A 106 10.751 -0.408 9.128 1.00 0.00 O ATOM 1706 NE2 GLN A 106 10.657 -2.479 8.327 1.00 0.00 N ATOM 0 H GLN A 106 8.511 1.577 5.412 1.00 0.00 H new ATOM 0 HA GLN A 106 10.695 1.136 7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.736 -0.329 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.266 -1.138 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.491 -0.091 7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.447 -1.736 7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.209 -3.142 7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.430 -2.782 8.920 1.00 0.00 H new ATOM 1715 N GLY A 107 11.333 1.626 4.142 1.00 0.00 N ATOM 1716 CA GLY A 107 12.406 1.562 3.200 1.00 0.00 C ATOM 1717 C GLY A 107 12.221 0.423 2.217 1.00 0.00 C ATOM 1718 O GLY A 107 13.189 -0.142 1.738 1.00 0.00 O ATOM 0 H GLY A 107 10.564 2.254 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.470 2.505 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.349 1.435 3.731 1.00 0.00 H new ATOM 1722 N LEU A 108 10.992 0.033 1.970 1.00 0.00 N ATOM 1723 CA LEU A 108 10.722 -0.983 0.962 1.00 0.00 C ATOM 1724 C LEU A 108 9.993 -0.383 -0.208 1.00 0.00 C ATOM 1725 O LEU A 108 9.629 -1.072 -1.161 1.00 0.00 O ATOM 1726 CB LEU A 108 9.915 -2.177 1.491 1.00 0.00 C ATOM 1727 CG LEU A 108 10.615 -3.209 2.376 1.00 0.00 C ATOM 1728 CD1 LEU A 108 12.059 -3.428 2.027 1.00 0.00 C ATOM 1729 CD2 LEU A 108 10.371 -3.033 3.841 1.00 0.00 C ATOM 0 H LEU A 108 10.165 0.396 2.445 1.00 0.00 H new ATOM 0 HA LEU A 108 11.698 -1.360 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.070 -1.780 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.505 -2.705 0.630 1.00 0.00 H new ATOM 0 HG LEU A 108 10.120 -4.149 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.487 -4.173 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.135 -3.780 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.605 -2.490 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.904 -3.806 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.728 -2.052 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.303 -3.112 4.044 1.00 0.00 H new ATOM 1741 N ALA A 109 9.781 0.887 -0.138 1.00 0.00 N ATOM 1742 CA ALA A 109 9.075 1.587 -1.149 1.00 0.00 C ATOM 1743 C ALA A 109 9.576 2.970 -1.235 1.00 0.00 C ATOM 1744 O ALA A 109 10.243 3.468 -0.321 1.00 0.00 O ATOM 1745 CB ALA A 109 7.594 1.603 -0.844 1.00 0.00 C ATOM 0 H ALA A 109 10.098 1.473 0.634 1.00 0.00 H new ATOM 0 HA ALA A 109 9.232 1.080 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.067 2.144 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.221 0.580 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.425 2.097 0.113 1.00 0.00 H new ATOM 1751 N LYS A 110 9.295 3.551 -2.335 1.00 0.00 N ATOM 1752 CA LYS A 110 9.579 4.925 -2.607 1.00 0.00 C ATOM 1753 C LYS A 110 8.251 5.568 -2.905 1.00 0.00 C ATOM 1754 O LYS A 110 7.323 4.863 -3.337 1.00 0.00 O ATOM 1755 CB LYS A 110 10.520 5.036 -3.813 1.00 0.00 C ATOM 1756 CG LYS A 110 11.870 4.359 -3.595 1.00 0.00 C ATOM 1757 CD LYS A 110 12.753 4.354 -4.833 1.00 0.00 C ATOM 1758 CE LYS A 110 12.156 3.502 -5.932 1.00 0.00 C ATOM 1759 NZ LYS A 110 13.048 3.375 -7.096 1.00 0.00 N ATOM 0 H LYS A 110 8.841 3.071 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 110 10.073 5.413 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 110 10.036 4.593 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.683 6.089 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.395 4.866 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.704 3.331 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.885 5.375 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.743 3.977 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 110 11.935 2.510 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 110 11.209 3.937 -6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.593 2.782 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 13.240 4.318 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 13.943 2.935 -6.801 1.00 0.00 H new ATOM 1773 N VAL A 111 8.120 6.848 -2.664 1.00 0.00 N ATOM 1774 CA VAL A 111 6.856 7.505 -2.912 1.00 0.00 C ATOM 1775 C VAL A 111 6.656 7.712 -4.397 1.00 0.00 C ATOM 1776 O VAL A 111 7.400 8.446 -5.061 1.00 0.00 O ATOM 1777 CB VAL A 111 6.640 8.830 -2.099 1.00 0.00 C ATOM 1778 CG1 VAL A 111 7.743 9.840 -2.328 1.00 0.00 C ATOM 1779 CG2 VAL A 111 5.280 9.446 -2.417 1.00 0.00 C ATOM 0 H VAL A 111 8.859 7.451 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 111 6.084 6.832 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 111 6.669 8.557 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.543 10.737 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.698 9.412 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.784 10.100 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.153 10.363 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.224 9.674 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.491 8.741 -2.155 1.00 0.00 H new ATOM 1789 N ALA A 112 5.711 7.024 -4.916 1.00 0.00 N ATOM 1790 CA ALA A 112 5.411 7.093 -6.306 1.00 0.00 C ATOM 1791 C ALA A 112 4.238 8.026 -6.532 1.00 0.00 C ATOM 1792 O ALA A 112 3.861 8.795 -5.658 1.00 0.00 O ATOM 1793 CB ALA A 112 5.096 5.696 -6.831 1.00 0.00 C ATOM 0 H ALA A 112 5.114 6.388 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 112 6.273 7.484 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.867 5.750 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.958 5.047 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.238 5.291 -6.295 1.00 0.00 H new ATOM 1799 N TYR A 113 3.672 7.931 -7.686 1.00 0.00 N ATOM 1800 CA TYR A 113 2.519 8.682 -8.079 1.00 0.00 C ATOM 1801 C TYR A 113 1.895 7.842 -9.136 1.00 0.00 C ATOM 1802 O TYR A 113 2.571 7.388 -10.058 1.00 0.00 O ATOM 1803 CB TYR A 113 2.858 10.097 -8.617 1.00 0.00 C ATOM 1804 CG TYR A 113 1.625 11.015 -8.766 1.00 0.00 C ATOM 1805 CD1 TYR A 113 0.729 10.857 -9.818 1.00 0.00 C ATOM 1806 CD2 TYR A 113 1.357 12.028 -7.843 1.00 0.00 C ATOM 1807 CE1 TYR A 113 -0.384 11.668 -9.940 1.00 0.00 C ATOM 1808 CE2 TYR A 113 0.249 12.837 -7.974 1.00 0.00 C ATOM 1809 CZ TYR A 113 -0.616 12.654 -9.017 1.00 0.00 C ATOM 1810 OH TYR A 113 -1.742 13.454 -9.125 1.00 0.00 O ATOM 0 H TYR A 113 4.011 7.303 -8.415 1.00 0.00 H new ATOM 0 HA TYR A 113 1.863 8.874 -7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 113 3.573 10.570 -7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.347 10.000 -9.586 1.00 0.00 H new ATOM 0 HD1 TYR A 113 0.906 10.086 -10.553 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.030 12.180 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -1.070 11.525 -10.762 1.00 0.00 H new ATOM 0 HE2 TYR A 113 0.063 13.618 -7.251 1.00 0.00 H new ATOM 0 HH TYR A 113 -1.755 14.101 -8.389 1.00 0.00 H new ATOM 1820 N VAL A 114 0.659 7.582 -8.993 1.00 0.00 N ATOM 1821 CA VAL A 114 0.012 6.640 -9.836 1.00 0.00 C ATOM 1822 C VAL A 114 -0.762 7.259 -10.982 1.00 0.00 C ATOM 1823 O VAL A 114 -0.426 7.064 -12.144 1.00 0.00 O ATOM 1824 CB VAL A 114 -0.860 5.695 -9.004 1.00 0.00 C ATOM 1825 CG1 VAL A 114 0.025 4.713 -8.249 1.00 0.00 C ATOM 1826 CG2 VAL A 114 -1.709 6.468 -7.995 1.00 0.00 C ATOM 0 H VAL A 114 0.057 8.012 -8.290 1.00 0.00 H new ATOM 0 HA VAL A 114 0.802 6.064 -10.318 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.523 5.163 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.598 4.042 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.612 4.131 -8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.696 5.262 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.317 5.769 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -1.057 7.023 -7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.360 7.164 -8.524 1.00 0.00 H new ATOM 1836 N TYR A 115 -1.753 8.020 -10.650 1.00 0.00 N ATOM 1837 CA TYR A 115 -2.633 8.596 -11.600 1.00 0.00 C ATOM 1838 C TYR A 115 -3.024 9.913 -11.039 1.00 0.00 C ATOM 1839 O TYR A 115 -3.109 10.013 -9.798 1.00 0.00 O ATOM 1840 CB TYR A 115 -3.917 7.760 -11.758 1.00 0.00 C ATOM 1841 CG TYR A 115 -3.742 6.317 -12.179 1.00 0.00 C ATOM 1842 CD1 TYR A 115 -3.650 5.974 -13.521 1.00 0.00 C ATOM 1843 CD2 TYR A 115 -3.716 5.291 -11.235 1.00 0.00 C ATOM 1844 CE1 TYR A 115 -3.532 4.659 -13.917 1.00 0.00 C ATOM 1845 CE2 TYR A 115 -3.612 3.977 -11.630 1.00 0.00 C ATOM 1846 CZ TYR A 115 -3.519 3.664 -12.967 1.00 0.00 C ATOM 1847 OH TYR A 115 -3.449 2.340 -13.355 1.00 0.00 O ATOM 0 H TYR A 115 -1.974 8.262 -9.684 1.00 0.00 H new ATOM 0 HA TYR A 115 -2.144 8.659 -12.572 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.451 7.775 -10.808 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.556 8.253 -12.491 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.671 6.753 -14.269 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -3.778 5.530 -10.184 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.450 4.412 -14.965 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.603 3.190 -10.890 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.229 1.857 -13.011 1.00 0.00 H new ATOM 1857 N LYS A 116 -3.231 10.912 -11.888 1.00 0.00 N ATOM 1858 CA LYS A 116 -3.692 12.235 -11.463 1.00 0.00 C ATOM 1859 C LYS A 116 -4.941 12.090 -10.635 1.00 0.00 C ATOM 1860 O LYS A 116 -6.022 11.820 -11.150 1.00 0.00 O ATOM 1861 CB LYS A 116 -3.939 13.136 -12.687 1.00 0.00 C ATOM 1862 CG LYS A 116 -4.594 14.527 -12.445 1.00 0.00 C ATOM 1863 CD LYS A 116 -3.794 15.475 -11.534 1.00 0.00 C ATOM 1864 CE LYS A 116 -4.179 15.354 -10.058 1.00 0.00 C ATOM 1865 NZ LYS A 116 -5.559 15.836 -9.776 1.00 0.00 N ATOM 0 H LYS A 116 -3.085 10.831 -12.894 1.00 0.00 H new ATOM 0 HA LYS A 116 -2.922 12.708 -10.853 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.981 13.298 -13.182 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.570 12.586 -13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.743 15.014 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.581 14.376 -12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.730 15.264 -11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.951 16.503 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.094 14.312 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.471 15.923 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.667 16.003 -8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.729 16.723 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.247 15.119 -10.084 1.00 0.00 H new ATOM 1879 N GLY A 117 -4.770 12.196 -9.355 1.00 0.00 N ATOM 1880 CA GLY A 117 -5.846 12.046 -8.478 1.00 0.00 C ATOM 1881 C GLY A 117 -5.413 11.327 -7.272 1.00 0.00 C ATOM 1882 O GLY A 117 -5.480 11.869 -6.184 1.00 0.00 O ATOM 0 H GLY A 117 -3.874 12.389 -8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.243 13.024 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.652 11.500 -8.968 1.00 0.00 H new ATOM 1886 N ASN A 118 -4.839 10.150 -7.467 1.00 0.00 N ATOM 1887 CA ASN A 118 -4.514 9.314 -6.325 1.00 0.00 C ATOM 1888 C ASN A 118 -3.189 9.706 -5.798 1.00 0.00 C ATOM 1889 O ASN A 118 -2.146 9.267 -6.316 1.00 0.00 O ATOM 1890 CB ASN A 118 -4.484 7.802 -6.602 1.00 0.00 C ATOM 1891 CG ASN A 118 -5.618 7.260 -7.419 1.00 0.00 C ATOM 1892 OD1 ASN A 118 -6.706 6.985 -6.936 1.00 0.00 O ATOM 1893 ND2 ASN A 118 -5.380 7.062 -8.677 1.00 0.00 N ATOM 0 H ASN A 118 -4.595 9.761 -8.378 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.322 9.481 -5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.550 7.565 -7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.468 7.278 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.106 6.672 -9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.467 7.296 -9.066 1.00 0.00 H new ATOM 1900 N ASN A 119 -3.211 10.589 -4.854 1.00 0.00 N ATOM 1901 CA ASN A 119 -2.016 11.062 -4.211 1.00 0.00 C ATOM 1902 C ASN A 119 -2.401 11.795 -2.955 1.00 0.00 C ATOM 1903 O ASN A 119 -1.609 12.548 -2.380 1.00 0.00 O ATOM 1904 CB ASN A 119 -1.259 11.993 -5.168 1.00 0.00 C ATOM 1905 CG ASN A 119 -1.835 13.417 -5.247 1.00 0.00 C ATOM 1906 OD1 ASN A 119 -1.396 14.334 -4.554 1.00 0.00 O ATOM 1907 ND2 ASN A 119 -2.827 13.598 -6.052 1.00 0.00 N ATOM 0 H ASN A 119 -4.068 11.012 -4.498 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.366 10.226 -3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -0.217 12.051 -4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.266 11.554 -6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.264 14.517 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.174 12.822 -6.617 1.00 0.00 H new ATOM 1914 N THR A 120 -3.572 11.501 -2.460 1.00 0.00 N ATOM 1915 CA THR A 120 -4.117 12.254 -1.373 1.00 0.00 C ATOM 1916 C THR A 120 -3.289 12.119 -0.069 1.00 0.00 C ATOM 1917 O THR A 120 -3.345 12.982 0.801 1.00 0.00 O ATOM 1918 CB THR A 120 -5.614 11.948 -1.204 1.00 0.00 C ATOM 1919 OG1 THR A 120 -6.240 12.057 -2.508 1.00 0.00 O ATOM 1920 CG2 THR A 120 -6.261 12.979 -0.320 1.00 0.00 C ATOM 0 H THR A 120 -4.166 10.743 -2.796 1.00 0.00 H new ATOM 0 HA THR A 120 -4.040 13.312 -1.622 1.00 0.00 H new ATOM 0 HB THR A 120 -5.730 10.956 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.121 11.217 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.321 12.750 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.783 12.970 0.660 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.148 13.966 -0.769 1.00 0.00 H new ATOM 1928 N HIS A 121 -2.477 11.078 0.040 1.00 0.00 N ATOM 1929 CA HIS A 121 -1.557 10.981 1.131 1.00 0.00 C ATOM 1930 C HIS A 121 -0.133 10.925 0.658 1.00 0.00 C ATOM 1931 O HIS A 121 0.749 10.561 1.415 1.00 0.00 O ATOM 1932 CB HIS A 121 -1.868 9.825 2.041 1.00 0.00 C ATOM 1933 CG HIS A 121 -3.060 10.058 2.890 1.00 0.00 C ATOM 1934 ND1 HIS A 121 -4.090 9.160 3.082 1.00 0.00 N ATOM 1935 CD2 HIS A 121 -3.360 11.139 3.616 1.00 0.00 C ATOM 1936 CE1 HIS A 121 -4.970 9.726 3.904 1.00 0.00 C ATOM 1937 NE2 HIS A 121 -4.572 10.939 4.262 1.00 0.00 N ATOM 0 H HIS A 121 -2.446 10.299 -0.617 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.679 11.893 1.715 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.027 8.930 1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -1.006 9.631 2.680 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.754 12.030 3.689 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.886 9.260 4.235 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -5.055 11.589 4.882 1.00 0.00 H new ATOM 1945 N GLU A 122 0.103 11.395 -0.554 1.00 0.00 N ATOM 1946 CA GLU A 122 1.441 11.399 -1.148 1.00 0.00 C ATOM 1947 C GLU A 122 2.438 12.177 -0.290 1.00 0.00 C ATOM 1948 O GLU A 122 3.598 11.780 -0.168 1.00 0.00 O ATOM 1949 CB GLU A 122 1.353 11.878 -2.606 1.00 0.00 C ATOM 1950 CG GLU A 122 2.666 12.113 -3.364 1.00 0.00 C ATOM 1951 CD GLU A 122 3.128 13.559 -3.300 1.00 0.00 C ATOM 1952 OE1 GLU A 122 2.576 14.396 -4.045 1.00 0.00 O ATOM 1953 OE2 GLU A 122 4.031 13.899 -2.512 1.00 0.00 O ATOM 0 H GLU A 122 -0.621 11.785 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 122 1.837 10.384 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.771 11.145 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.788 12.810 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.441 11.469 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.536 11.823 -4.407 1.00 0.00 H new ATOM 1960 N GLN A 123 1.951 13.212 0.401 1.00 0.00 N ATOM 1961 CA GLN A 123 2.815 13.977 1.290 1.00 0.00 C ATOM 1962 C GLN A 123 3.302 13.104 2.469 1.00 0.00 C ATOM 1963 O GLN A 123 4.472 13.159 2.894 1.00 0.00 O ATOM 1964 CB GLN A 123 2.180 15.300 1.783 1.00 0.00 C ATOM 1965 CG GLN A 123 0.807 15.215 2.435 1.00 0.00 C ATOM 1966 CD GLN A 123 -0.322 15.335 1.430 1.00 0.00 C ATOM 1967 OE1 GLN A 123 -0.851 14.249 0.973 1.00 0.00 O flip ATOM 1968 NE2 GLN A 123 -0.752 16.431 1.112 1.00 0.00 N flip ATOM 0 H GLN A 123 0.983 13.531 0.361 1.00 0.00 H new ATOM 0 HA GLN A 123 3.681 14.273 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.865 15.757 2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.108 15.977 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 123 0.718 14.267 2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.712 16.006 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.319 17.276 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.544 16.502 0.474 1.00 0.00 H new ATOM 1977 N LEU A 124 2.428 12.247 2.926 1.00 0.00 N ATOM 1978 CA LEU A 124 2.732 11.334 3.987 1.00 0.00 C ATOM 1979 C LEU A 124 3.710 10.277 3.504 1.00 0.00 C ATOM 1980 O LEU A 124 4.651 9.911 4.213 1.00 0.00 O ATOM 1981 CB LEU A 124 1.422 10.745 4.560 1.00 0.00 C ATOM 1982 CG LEU A 124 1.512 9.446 5.365 1.00 0.00 C ATOM 1983 CD1 LEU A 124 0.364 9.359 6.328 1.00 0.00 C ATOM 1984 CD2 LEU A 124 1.436 8.249 4.427 1.00 0.00 C ATOM 0 H LEU A 124 1.477 12.165 2.566 1.00 0.00 H new ATOM 0 HA LEU A 124 3.226 11.857 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 124 0.966 11.502 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.739 10.576 3.727 1.00 0.00 H new ATOM 0 HG LEU A 124 2.458 9.441 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.436 8.432 6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.397 10.207 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.576 9.374 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.501 7.328 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.491 8.271 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.262 8.290 3.717 1.00 0.00 H new ATOM 1996 N LEU A 125 3.520 9.814 2.286 1.00 0.00 N ATOM 1997 CA LEU A 125 4.415 8.828 1.745 1.00 0.00 C ATOM 1998 C LEU A 125 5.771 9.406 1.456 1.00 0.00 C ATOM 1999 O LEU A 125 6.776 8.751 1.694 1.00 0.00 O ATOM 2000 CB LEU A 125 3.859 8.080 0.552 1.00 0.00 C ATOM 2001 CG LEU A 125 2.743 7.098 0.850 1.00 0.00 C ATOM 2002 CD1 LEU A 125 1.372 7.667 0.597 1.00 0.00 C ATOM 2003 CD2 LEU A 125 2.978 5.825 0.116 1.00 0.00 C ATOM 0 H LEU A 125 2.764 10.103 1.665 1.00 0.00 H new ATOM 0 HA LEU A 125 4.528 8.079 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.493 8.809 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.675 7.539 0.074 1.00 0.00 H new ATOM 0 HG LEU A 125 2.764 6.886 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.618 6.915 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.219 8.542 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.286 7.956 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.172 5.125 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.006 6.023 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.929 5.394 0.430 1.00 0.00 H new ATOM 2015 N ARG A 126 5.812 10.649 0.979 1.00 0.00 N ATOM 2016 CA ARG A 126 7.082 11.304 0.763 1.00 0.00 C ATOM 2017 C ARG A 126 7.759 11.545 2.093 1.00 0.00 C ATOM 2018 O ARG A 126 8.987 11.404 2.204 1.00 0.00 O ATOM 2019 CB ARG A 126 6.957 12.586 -0.042 1.00 0.00 C ATOM 2020 CG ARG A 126 6.383 13.738 0.678 1.00 0.00 C ATOM 2021 CD ARG A 126 6.384 14.903 -0.207 1.00 0.00 C ATOM 2022 NE ARG A 126 5.945 16.115 0.490 1.00 0.00 N ATOM 2023 CZ ARG A 126 5.786 17.319 -0.071 1.00 0.00 C ATOM 2024 NH1 ARG A 126 6.085 17.511 -1.353 1.00 0.00 N ATOM 2025 NH2 ARG A 126 5.321 18.324 0.657 1.00 0.00 N ATOM 0 H ARG A 126 4.992 11.207 0.741 1.00 0.00 H new ATOM 0 HA ARG A 126 7.702 10.640 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.947 12.864 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.341 12.385 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.367 13.512 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.964 13.947 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.387 15.056 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.728 14.715 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 126 5.744 16.034 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 126 6.438 16.737 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 126 5.961 18.432 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.087 18.177 1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 126 5.197 19.245 0.236 1.00 0.00 H new ATOM 2039 N LYS A 127 6.945 11.859 3.120 1.00 0.00 N ATOM 2040 CA LYS A 127 7.451 12.007 4.466 1.00 0.00 C ATOM 2041 C LYS A 127 8.018 10.672 4.973 1.00 0.00 C ATOM 2042 O LYS A 127 9.112 10.632 5.565 1.00 0.00 O ATOM 2043 CB LYS A 127 6.343 12.523 5.408 1.00 0.00 C ATOM 2044 CG LYS A 127 6.772 12.741 6.856 1.00 0.00 C ATOM 2045 CD LYS A 127 7.821 13.836 6.977 1.00 0.00 C ATOM 2046 CE LYS A 127 8.273 14.014 8.416 1.00 0.00 C ATOM 2047 NZ LYS A 127 7.162 14.397 9.321 1.00 0.00 N ATOM 0 H LYS A 127 5.941 12.011 3.027 1.00 0.00 H new ATOM 0 HA LYS A 127 8.257 12.741 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.962 13.465 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.516 11.813 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.902 13.004 7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.170 11.811 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.680 13.590 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 127 7.413 14.775 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.721 13.085 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.049 14.778 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.547 14.670 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.642 15.200 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.516 13.590 9.438 1.00 0.00 H new ATOM 2061 N ALA A 128 7.313 9.574 4.692 1.00 0.00 N ATOM 2062 CA ALA A 128 7.737 8.280 5.168 1.00 0.00 C ATOM 2063 C ALA A 128 9.004 7.865 4.442 1.00 0.00 C ATOM 2064 O ALA A 128 9.992 7.394 5.078 1.00 0.00 O ATOM 2065 CB ALA A 128 6.624 7.280 4.977 1.00 0.00 C ATOM 0 H ALA A 128 6.455 9.567 4.141 1.00 0.00 H new ATOM 0 HA ALA A 128 7.962 8.325 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.947 6.303 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.746 7.601 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.374 7.212 3.918 1.00 0.00 H new ATOM 2071 N GLU A 129 8.996 8.089 3.126 1.00 0.00 N ATOM 2072 CA GLU A 129 10.131 7.851 2.289 1.00 0.00 C ATOM 2073 C GLU A 129 11.323 8.600 2.841 1.00 0.00 C ATOM 2074 O GLU A 129 12.334 7.997 3.163 1.00 0.00 O ATOM 2075 CB GLU A 129 9.867 8.322 0.862 1.00 0.00 C ATOM 2076 CG GLU A 129 11.030 8.079 -0.061 1.00 0.00 C ATOM 2077 CD GLU A 129 10.878 8.759 -1.384 1.00 0.00 C ATOM 2078 OE1 GLU A 129 11.135 9.983 -1.470 1.00 0.00 O ATOM 2079 OE2 GLU A 129 10.534 8.098 -2.369 1.00 0.00 O ATOM 0 H GLU A 129 8.182 8.445 2.624 1.00 0.00 H new ATOM 0 HA GLU A 129 10.328 6.779 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.988 7.809 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.636 9.387 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.945 8.427 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.142 7.007 -0.221 1.00 0.00 H new ATOM 2086 N ALA A 130 11.169 9.920 3.002 1.00 0.00 N ATOM 2087 CA ALA A 130 12.233 10.762 3.504 1.00 0.00 C ATOM 2088 C ALA A 130 12.701 10.327 4.869 1.00 0.00 C ATOM 2089 O ALA A 130 13.897 10.349 5.138 1.00 0.00 O ATOM 2090 CB ALA A 130 11.868 12.226 3.478 1.00 0.00 C ATOM 0 H ALA A 130 10.306 10.420 2.787 1.00 0.00 H new ATOM 0 HA ALA A 130 13.074 10.637 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 130 12.700 12.815 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.654 12.529 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.987 12.392 4.097 1.00 0.00 H new ATOM 2096 N GLN A 131 11.774 9.893 5.712 1.00 0.00 N ATOM 2097 CA GLN A 131 12.130 9.380 7.015 1.00 0.00 C ATOM 2098 C GLN A 131 13.017 8.143 6.873 1.00 0.00 C ATOM 2099 O GLN A 131 14.092 8.046 7.505 1.00 0.00 O ATOM 2100 CB GLN A 131 10.867 9.071 7.818 1.00 0.00 C ATOM 2101 CG GLN A 131 11.110 8.603 9.251 1.00 0.00 C ATOM 2102 CD GLN A 131 10.961 7.093 9.471 1.00 0.00 C ATOM 2103 OE1 GLN A 131 11.177 6.279 8.464 1.00 0.00 O flip ATOM 2104 NE2 GLN A 131 10.601 6.675 10.552 1.00 0.00 N flip ATOM 0 H GLN A 131 10.774 9.888 5.512 1.00 0.00 H new ATOM 0 HA GLN A 131 12.698 10.137 7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.244 9.965 7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.300 8.303 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.115 8.902 9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 131 10.414 9.122 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.439 7.324 11.322 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.461 5.674 10.691 1.00 0.00 H new ATOM 2113 N ALA A 132 12.619 7.238 5.974 1.00 0.00 N ATOM 2114 CA ALA A 132 13.340 5.988 5.797 1.00 0.00 C ATOM 2115 C ALA A 132 14.691 6.302 5.196 1.00 0.00 C ATOM 2116 O ALA A 132 15.708 5.684 5.518 1.00 0.00 O ATOM 2117 CB ALA A 132 12.534 5.067 4.898 1.00 0.00 C ATOM 0 H ALA A 132 11.808 7.352 5.366 1.00 0.00 H new ATOM 0 HA ALA A 132 13.486 5.481 6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.072 4.128 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 132 11.565 4.868 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.386 5.543 3.929 1.00 0.00 H new ATOM 2123 N LYS A 133 14.684 7.319 4.374 1.00 0.00 N ATOM 2124 CA LYS A 133 15.842 7.844 3.734 1.00 0.00 C ATOM 2125 C LYS A 133 16.836 8.337 4.740 1.00 0.00 C ATOM 2126 O LYS A 133 17.996 7.929 4.730 1.00 0.00 O ATOM 2127 CB LYS A 133 15.422 8.979 2.845 1.00 0.00 C ATOM 2128 CG LYS A 133 14.821 8.555 1.552 1.00 0.00 C ATOM 2129 CD LYS A 133 14.447 9.755 0.701 1.00 0.00 C ATOM 2130 CE LYS A 133 14.259 9.384 -0.755 1.00 0.00 C ATOM 2131 NZ LYS A 133 13.896 10.543 -1.591 1.00 0.00 N ATOM 0 H LYS A 133 13.830 7.819 4.128 1.00 0.00 H new ATOM 0 HA LYS A 133 16.316 7.054 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.702 9.598 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 133 16.290 9.605 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.527 7.926 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.935 7.949 1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.527 10.198 1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.225 10.514 0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.179 8.940 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 133 13.481 8.624 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.343 10.451 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.863 10.580 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.226 11.417 -1.134 1.00 0.00 H new ATOM 2145 N LYS A 134 16.377 9.208 5.611 1.00 0.00 N ATOM 2146 CA LYS A 134 17.238 9.754 6.627 1.00 0.00 C ATOM 2147 C LYS A 134 17.624 8.755 7.696 1.00 0.00 C ATOM 2148 O LYS A 134 18.658 8.914 8.336 1.00 0.00 O ATOM 2149 CB LYS A 134 16.708 11.058 7.242 1.00 0.00 C ATOM 2150 CG LYS A 134 15.252 11.043 7.690 1.00 0.00 C ATOM 2151 CD LYS A 134 15.071 11.344 9.172 1.00 0.00 C ATOM 2152 CE LYS A 134 15.647 10.252 10.049 1.00 0.00 C ATOM 2153 NZ LYS A 134 15.415 10.501 11.479 1.00 0.00 N ATOM 0 H LYS A 134 15.416 9.550 5.634 1.00 0.00 H new ATOM 0 HA LYS A 134 18.154 10.008 6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 134 17.329 11.309 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 134 16.835 11.858 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.693 11.775 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.822 10.066 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 134 15.553 12.292 9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 134 14.010 11.462 9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.203 9.296 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 134 16.718 10.170 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.827 9.727 12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.861 11.400 11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.392 10.553 11.661 1.00 0.00 H new ATOM 2167 N GLU A 135 16.816 7.737 7.934 1.00 0.00 N ATOM 2168 CA GLU A 135 17.247 6.788 8.958 1.00 0.00 C ATOM 2169 C GLU A 135 18.000 5.626 8.401 1.00 0.00 C ATOM 2170 O GLU A 135 18.661 4.877 9.134 1.00 0.00 O ATOM 2171 CB GLU A 135 16.163 6.374 9.882 1.00 0.00 C ATOM 2172 CG GLU A 135 15.003 5.654 9.293 1.00 0.00 C ATOM 2173 CD GLU A 135 14.126 5.068 10.380 1.00 0.00 C ATOM 2174 OE1 GLU A 135 13.410 5.828 11.065 1.00 0.00 O ATOM 2175 OE2 GLU A 135 14.161 3.845 10.600 1.00 0.00 O ATOM 0 H GLU A 135 15.924 7.548 7.476 1.00 0.00 H new ATOM 0 HA GLU A 135 17.956 7.343 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 135 16.600 5.737 10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 135 15.787 7.266 10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.419 6.338 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 135 15.358 4.859 8.637 1.00 0.00 H new ATOM 2182 N LYS A 136 17.861 5.484 7.128 1.00 0.00 N ATOM 2183 CA LYS A 136 18.558 4.503 6.284 1.00 0.00 C ATOM 2184 C LYS A 136 17.889 3.172 6.369 1.00 0.00 C ATOM 2185 O LYS A 136 18.271 2.299 7.152 1.00 0.00 O ATOM 2186 CB LYS A 136 20.060 4.383 6.567 1.00 0.00 C ATOM 2187 CG LYS A 136 20.871 5.639 6.299 1.00 0.00 C ATOM 2188 CD LYS A 136 22.334 5.441 6.676 1.00 0.00 C ATOM 2189 CE LYS A 136 23.005 4.341 5.852 1.00 0.00 C ATOM 2190 NZ LYS A 136 24.438 4.203 6.194 1.00 0.00 N ATOM 0 H LYS A 136 17.225 6.073 6.591 1.00 0.00 H new ATOM 0 HA LYS A 136 18.487 4.882 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 136 20.195 4.098 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 136 20.464 3.573 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 136 20.797 5.905 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 136 20.456 6.471 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 136 22.873 6.378 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 136 22.403 5.191 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 136 22.496 3.393 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 136 22.904 4.567 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 24.862 3.449 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 24.928 5.100 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 24.533 3.963 7.201 1.00 0.00 H new ATOM 2204 N LEU A 137 16.856 3.038 5.613 1.00 0.00 N ATOM 2205 CA LEU A 137 16.046 1.880 5.649 1.00 0.00 C ATOM 2206 C LEU A 137 16.028 1.083 4.389 1.00 0.00 C ATOM 2207 O LEU A 137 15.605 1.571 3.355 1.00 0.00 O ATOM 2208 CB LEU A 137 14.685 2.304 5.988 1.00 0.00 C ATOM 2209 CG LEU A 137 14.396 2.475 7.445 1.00 0.00 C ATOM 2210 CD1 LEU A 137 12.998 2.840 7.667 1.00 0.00 C ATOM 2211 CD2 LEU A 137 14.691 1.245 8.215 1.00 0.00 C ATOM 0 H LEU A 137 16.549 3.743 4.943 1.00 0.00 H new ATOM 0 HA LEU A 137 16.475 1.211 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 137 14.484 3.250 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 137 13.986 1.572 5.583 1.00 0.00 H new ATOM 0 HG LEU A 137 15.046 3.277 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 137 12.818 2.957 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 137 12.782 3.779 7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 137 12.350 2.056 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 137 14.467 1.413 9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 137 14.078 0.425 7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 137 15.745 0.990 8.104 1.00 0.00 H new ATOM 2223 N ASN A 138 16.451 -0.168 4.523 1.00 0.00 N ATOM 2224 CA ASN A 138 16.507 -1.183 3.462 1.00 0.00 C ATOM 2225 C ASN A 138 17.091 -0.648 2.161 1.00 0.00 C ATOM 2226 O ASN A 138 18.308 -0.670 1.970 1.00 0.00 O ATOM 2227 CB ASN A 138 15.158 -1.890 3.222 1.00 0.00 C ATOM 2228 CG ASN A 138 14.631 -2.702 4.405 1.00 0.00 C ATOM 2229 OD1 ASN A 138 14.999 -3.863 4.593 1.00 0.00 O ATOM 2230 ND2 ASN A 138 13.724 -2.141 5.155 1.00 0.00 N ATOM 0 H ASN A 138 16.783 -0.527 5.418 1.00 0.00 H new ATOM 0 HA ASN A 138 17.195 -1.941 3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 138 14.414 -1.139 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 138 15.261 -2.553 2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 138 13.300 -2.665 5.920 1.00 0.00 H new ATOM 0 HD22 ASN A 138 13.439 -1.178 4.976 1.00 0.00 H new ATOM 2237 N ILE A 139 16.236 -0.119 1.290 1.00 0.00 N ATOM 2238 CA ILE A 139 16.681 0.484 0.036 1.00 0.00 C ATOM 2239 C ILE A 139 17.566 1.703 0.314 1.00 0.00 C ATOM 2240 O ILE A 139 18.557 1.957 -0.357 1.00 0.00 O ATOM 2241 CB ILE A 139 15.483 0.888 -0.876 1.00 0.00 C ATOM 2242 CG1 ILE A 139 14.459 1.747 -0.131 1.00 0.00 C ATOM 2243 CG2 ILE A 139 14.812 -0.340 -1.478 1.00 0.00 C ATOM 2244 CD1 ILE A 139 13.272 2.162 -0.980 1.00 0.00 C ATOM 0 H ILE A 139 15.226 -0.096 1.430 1.00 0.00 H new ATOM 0 HA ILE A 139 17.262 -0.269 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 139 15.892 1.492 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 139 14.098 1.194 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 139 14.955 2.642 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 139 13.980 -0.027 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 139 15.535 -0.892 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 139 14.440 -0.980 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 139 12.591 2.768 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 139 13.621 2.743 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 139 12.750 1.273 -1.335 1.00 0.00 H new ATOM 2256 N TRP A 140 17.243 2.376 1.368 1.00 0.00 N ATOM 2257 CA TRP A 140 17.894 3.591 1.790 1.00 0.00 C ATOM 2258 C TRP A 140 19.132 3.288 2.613 1.00 0.00 C ATOM 2259 O TRP A 140 19.847 4.184 3.033 1.00 0.00 O ATOM 2260 CB TRP A 140 16.876 4.389 2.591 1.00 0.00 C ATOM 2261 CG TRP A 140 15.681 4.756 1.817 1.00 0.00 C ATOM 2262 CD1 TRP A 140 14.432 4.623 2.245 1.00 0.00 C ATOM 2263 CD2 TRP A 140 15.598 5.261 0.466 1.00 0.00 C ATOM 2264 NE1 TRP A 140 13.555 4.972 1.270 1.00 0.00 N ATOM 2265 CE2 TRP A 140 14.238 5.381 0.174 1.00 0.00 C ATOM 2266 CE3 TRP A 140 16.523 5.617 -0.519 1.00 0.00 C ATOM 2267 CZ2 TRP A 140 13.772 5.837 -1.044 1.00 0.00 C ATOM 2268 CZ3 TRP A 140 16.057 6.071 -1.733 1.00 0.00 C ATOM 2269 CH2 TRP A 140 14.696 6.177 -1.985 1.00 0.00 C ATOM 0 H TRP A 140 16.488 2.090 1.991 1.00 0.00 H new ATOM 0 HA TRP A 140 18.232 4.166 0.928 1.00 0.00 H new ATOM 0 HB2 TRP A 140 16.572 3.806 3.460 1.00 0.00 H new ATOM 0 HB3 TRP A 140 17.350 5.296 2.965 1.00 0.00 H new ATOM 0 HD1 TRP A 140 14.152 4.284 3.232 1.00 0.00 H new ATOM 0 HE1 TRP A 140 12.539 4.932 1.350 1.00 0.00 H new ATOM 0 HE3 TRP A 140 17.584 5.538 -0.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 12.714 5.921 -1.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 16.762 6.349 -2.502 1.00 0.00 H new ATOM 0 HH2 TRP A 140 14.363 6.537 -2.947 1.00 0.00 H new