USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 960 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 45 THR OG1 : rot -140:sc= -1.23 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0428 X(o=-1.3,f=-1.3) USER MOD Set 2.1: A 3 LYS NZ :NH3+ -155:sc= -1.41 (180deg=-1.41) USER MOD Set 2.2: A 5 GLN : amide:sc= -0.844 K(o=-2.3,f=-3.3) USER MOD Single : A 13 ASN : amide:sc= -4.15! C(o=-4.2!,f=-3.9!) USER MOD Single : A 15 ASN : amide:sc= 0.0428 X(o=0.043,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.366 K(o=-0.37,f=-3!) USER MOD Single : A 21 THR OG1 : rot -33:sc= 1.55 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0365 (180deg=-0.248) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -147:sc= -0.458 (180deg=-1.89!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 63 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.6) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -14! C(o=-17!,f=-14!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.124 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.2!) USER MOD Single : A 81 THR OG1 : rot -158:sc= -1.87! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.29) USER MOD Single : A 105 MET CE :methyl 163:sc=-0.00189 (180deg=-0.185) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0848 USER MOD Single : A 111 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.9!) USER MOD Single : A 119 ASN :FLIP amide:sc= -4.51! C(o=-6.7!,f=-4.5!) USER MOD Single : A 125 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00104) USER MOD Single : A 127 LYS NZ :NH3+ -170:sc= 0.0179 (180deg=0.0109) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -7.175 -18.155 -0.701 1.00 0.00 N ATOM 43 CA LYS A 3 -5.975 -17.366 -0.458 1.00 0.00 C ATOM 44 C LYS A 3 -5.961 -16.116 -1.331 1.00 0.00 C ATOM 45 O LYS A 3 -6.250 -16.179 -2.526 1.00 0.00 O ATOM 46 CB LYS A 3 -4.720 -18.204 -0.711 1.00 0.00 C ATOM 47 CG LYS A 3 -4.509 -18.566 -2.173 1.00 0.00 C ATOM 48 CD LYS A 3 -3.570 -17.589 -2.860 1.00 0.00 C ATOM 49 CE LYS A 3 -2.150 -17.715 -2.332 1.00 0.00 C ATOM 50 NZ LYS A 3 -1.479 -16.391 -2.221 1.00 0.00 N ATOM 0 HA LYS A 3 -5.981 -17.055 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.849 -17.655 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.782 -19.121 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.101 -19.574 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.469 -18.573 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.577 -17.771 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.927 -16.571 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.168 -18.196 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.573 -18.360 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.448 -16.518 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.795 -15.776 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.725 -15.953 -1.310 1.00 0.00 H new ATOM 64 N LEU A 4 -5.619 -14.982 -0.727 1.00 0.00 N ATOM 65 CA LEU A 4 -5.562 -13.716 -1.446 1.00 0.00 C ATOM 66 C LEU A 4 -4.470 -12.817 -0.865 1.00 0.00 C ATOM 67 O LEU A 4 -4.486 -12.519 0.330 1.00 0.00 O ATOM 68 CB LEU A 4 -6.920 -13.019 -1.360 1.00 0.00 C ATOM 69 CG LEU A 4 -7.346 -12.606 0.050 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.861 -11.201 0.369 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.859 -12.697 0.197 1.00 0.00 C ATOM 0 H LEU A 4 -5.377 -14.915 0.262 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.322 -13.913 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.896 -12.131 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.679 -13.683 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.888 -13.293 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.175 -10.928 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.773 -11.169 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.287 -10.498 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.145 -12.400 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.335 -12.034 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.181 -13.722 0.016 1.00 0.00 H new ATOM 83 N GLN A 5 -3.518 -12.385 -1.692 1.00 0.00 N ATOM 84 CA GLN A 5 -2.438 -11.527 -1.220 1.00 0.00 C ATOM 85 C GLN A 5 -2.667 -10.073 -1.607 1.00 0.00 C ATOM 86 O GLN A 5 -3.375 -9.771 -2.567 1.00 0.00 O ATOM 87 CB GLN A 5 -1.106 -11.980 -1.808 1.00 0.00 C ATOM 88 CG GLN A 5 -0.846 -13.461 -1.627 1.00 0.00 C ATOM 89 CD GLN A 5 0.596 -13.843 -1.898 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.247 -13.272 -2.772 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.103 -14.814 -1.146 1.00 0.00 N ATOM 0 H GLN A 5 -3.475 -12.615 -2.685 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.418 -11.606 -0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.086 -11.742 -2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.299 -11.416 -1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.108 -13.749 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.498 -14.024 -2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.527 -15.260 -0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.069 -15.113 -1.282 1.00 0.00 H new ATOM 100 N ILE A 6 -2.048 -9.181 -0.850 1.00 0.00 N ATOM 101 CA ILE A 6 -2.139 -7.751 -1.077 1.00 0.00 C ATOM 102 C ILE A 6 -0.807 -7.119 -0.685 1.00 0.00 C ATOM 103 O ILE A 6 -0.233 -7.487 0.339 1.00 0.00 O ATOM 104 CB ILE A 6 -3.278 -7.126 -0.248 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.632 -7.664 -0.708 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.243 -5.608 -0.346 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.183 -8.748 0.192 1.00 0.00 C ATOM 0 H ILE A 6 -1.463 -9.434 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.357 -7.568 -2.129 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.134 -7.403 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.346 -6.841 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.534 -8.057 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.055 -5.186 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.289 -5.241 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.360 -5.308 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.146 -9.085 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.488 -9.588 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.312 -8.353 1.200 1.00 0.00 H new ATOM 119 N ALA A 7 -0.328 -6.144 -1.448 1.00 0.00 N ATOM 120 CA ALA A 7 0.908 -5.462 -1.100 1.00 0.00 C ATOM 121 C ALA A 7 0.639 -3.974 -1.078 1.00 0.00 C ATOM 122 O ALA A 7 0.156 -3.444 -2.062 1.00 0.00 O ATOM 123 CB ALA A 7 2.011 -5.797 -2.094 1.00 0.00 C ATOM 0 H ALA A 7 -0.773 -5.812 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 7 1.247 -5.792 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.925 -5.275 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.191 -6.872 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.708 -5.484 -3.093 1.00 0.00 H new ATOM 129 N VAL A 8 0.932 -3.291 0.018 1.00 0.00 N ATOM 130 CA VAL A 8 0.677 -1.856 0.081 1.00 0.00 C ATOM 131 C VAL A 8 1.879 -1.094 0.610 1.00 0.00 C ATOM 132 O VAL A 8 2.748 -1.658 1.268 1.00 0.00 O ATOM 133 CB VAL A 8 -0.572 -1.523 0.938 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.424 -2.763 1.179 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.181 -0.878 2.264 1.00 0.00 C ATOM 0 H VAL A 8 1.339 -3.695 0.862 1.00 0.00 H new ATOM 0 HA VAL A 8 0.485 -1.537 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.168 -0.805 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.292 -2.497 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.757 -3.167 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.833 -3.514 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.080 -0.657 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.453 -1.562 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.363 0.047 2.072 1.00 0.00 H new ATOM 145 N GLY A 9 1.927 0.192 0.305 1.00 0.00 N ATOM 146 CA GLY A 9 3.032 1.001 0.756 1.00 0.00 C ATOM 147 C GLY A 9 2.679 2.460 0.954 1.00 0.00 C ATOM 148 O GLY A 9 1.831 3.009 0.255 1.00 0.00 O ATOM 0 H GLY A 9 1.224 0.686 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.407 0.596 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.843 0.928 0.032 1.00 0.00 H new ATOM 152 N ILE A 10 3.383 3.090 1.881 1.00 0.00 N ATOM 153 CA ILE A 10 3.207 4.506 2.162 1.00 0.00 C ATOM 154 C ILE A 10 4.232 5.271 1.334 1.00 0.00 C ATOM 155 O ILE A 10 5.428 5.061 1.495 1.00 0.00 O ATOM 156 CB ILE A 10 3.375 4.792 3.682 1.00 0.00 C ATOM 157 CG1 ILE A 10 2.122 5.469 4.236 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.614 5.631 3.982 1.00 0.00 C ATOM 159 CD1 ILE A 10 1.692 4.932 5.583 1.00 0.00 C ATOM 0 H ILE A 10 4.091 2.636 2.458 1.00 0.00 H new ATOM 0 HA ILE A 10 2.201 4.827 1.894 1.00 0.00 H new ATOM 0 HB ILE A 10 3.513 3.831 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.305 6.540 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.305 5.342 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.686 5.803 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.503 5.102 3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.539 6.588 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.797 5.458 5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.477 3.867 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.492 5.084 6.308 1.00 0.00 H new ATOM 171 N ILE A 11 3.769 6.137 0.437 1.00 0.00 N ATOM 172 CA ILE A 11 4.685 6.885 -0.417 1.00 0.00 C ATOM 173 C ILE A 11 5.293 8.078 0.317 1.00 0.00 C ATOM 174 O ILE A 11 4.616 9.053 0.600 1.00 0.00 O ATOM 175 CB ILE A 11 3.970 7.377 -1.698 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.656 6.194 -2.626 1.00 0.00 C ATOM 177 CG2 ILE A 11 4.818 8.415 -2.419 1.00 0.00 C ATOM 178 CD1 ILE A 11 3.364 6.598 -4.061 1.00 0.00 C ATOM 0 H ILE A 11 2.780 6.336 0.284 1.00 0.00 H new ATOM 0 HA ILE A 11 5.489 6.203 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 11 3.029 7.846 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.500 5.504 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.797 5.652 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.299 8.749 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.988 9.267 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.775 7.974 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.152 5.708 -4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.501 7.263 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.230 7.113 -4.477 1.00 0.00 H new ATOM 190 N ARG A 12 6.583 7.988 0.603 1.00 0.00 N ATOM 191 CA ARG A 12 7.270 9.060 1.315 1.00 0.00 C ATOM 192 C ARG A 12 7.606 10.191 0.365 1.00 0.00 C ATOM 193 O ARG A 12 7.828 9.971 -0.828 1.00 0.00 O ATOM 194 CB ARG A 12 8.537 8.545 1.987 1.00 0.00 C ATOM 195 CG ARG A 12 8.326 8.136 3.433 1.00 0.00 C ATOM 196 CD ARG A 12 8.595 9.291 4.386 1.00 0.00 C ATOM 197 NE ARG A 12 10.026 9.517 4.585 1.00 0.00 N ATOM 198 CZ ARG A 12 10.801 8.742 5.341 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.290 7.688 5.966 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.090 9.023 5.473 1.00 0.00 N ATOM 0 H ARG A 12 7.172 7.193 0.357 1.00 0.00 H new ATOM 0 HA ARG A 12 6.601 9.435 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.915 7.690 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.303 9.319 1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.303 7.784 3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.985 7.302 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.136 10.199 3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.124 9.085 5.347 1.00 0.00 H new ATOM 0 HE ARG A 12 10.456 10.315 4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.299 7.468 5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.889 7.098 6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.487 9.832 4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.685 8.430 6.052 1.00 0.00 H new ATOM 214 N ASN A 13 7.637 11.407 0.909 1.00 0.00 N ATOM 215 CA ASN A 13 7.925 12.597 0.117 1.00 0.00 C ATOM 216 C ASN A 13 9.261 13.236 0.467 1.00 0.00 C ATOM 217 O ASN A 13 9.951 12.841 1.408 1.00 0.00 O ATOM 218 CB ASN A 13 6.811 13.621 0.301 1.00 0.00 C ATOM 219 CG ASN A 13 7.000 14.898 -0.495 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.011 14.881 -1.725 1.00 0.00 O ATOM 221 ND2 ASN A 13 7.150 16.015 0.207 1.00 0.00 N ATOM 0 H ASN A 13 7.465 11.592 1.897 1.00 0.00 H new ATOM 0 HA ASN A 13 7.984 12.276 -0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.863 13.165 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.737 13.874 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.281 16.905 -0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.134 15.983 1.226 1.00 0.00 H new ATOM 228 N GLU A 14 9.594 14.228 -0.336 1.00 0.00 N ATOM 229 CA GLU A 14 10.829 14.989 -0.216 1.00 0.00 C ATOM 230 C GLU A 14 11.130 15.370 1.225 1.00 0.00 C ATOM 231 O GLU A 14 12.284 15.366 1.654 1.00 0.00 O ATOM 232 CB GLU A 14 10.735 16.246 -1.088 1.00 0.00 C ATOM 233 CG GLU A 14 11.801 17.292 -0.794 1.00 0.00 C ATOM 234 CD GLU A 14 11.272 18.447 0.034 1.00 0.00 C ATOM 235 OE1 GLU A 14 10.280 19.077 -0.390 1.00 0.00 O ATOM 236 OE2 GLU A 14 11.852 18.722 1.106 1.00 0.00 O ATOM 0 H GLU A 14 9.003 14.536 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 14 11.649 14.358 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.808 15.954 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.752 16.697 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.631 16.822 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.198 17.675 -1.734 1.00 0.00 H new ATOM 243 N ASN A 15 10.094 15.724 1.952 1.00 0.00 N ATOM 244 CA ASN A 15 10.250 16.142 3.345 1.00 0.00 C ATOM 245 C ASN A 15 9.949 15.007 4.317 1.00 0.00 C ATOM 246 O ASN A 15 10.814 14.580 5.080 1.00 0.00 O ATOM 247 CB ASN A 15 9.336 17.332 3.643 1.00 0.00 C ATOM 248 CG ASN A 15 9.537 17.880 5.042 1.00 0.00 C ATOM 249 OD1 ASN A 15 10.413 18.714 5.276 1.00 0.00 O ATOM 250 ND2 ASN A 15 8.725 17.413 5.983 1.00 0.00 N ATOM 0 H ASN A 15 9.133 15.734 1.611 1.00 0.00 H new ATOM 0 HA ASN A 15 11.291 16.434 3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.524 18.122 2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.297 17.028 3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.813 17.745 6.943 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.013 16.723 5.745 1.00 0.00 H new ATOM 257 N ASN A 16 8.714 14.530 4.278 1.00 0.00 N ATOM 258 CA ASN A 16 8.271 13.438 5.155 1.00 0.00 C ATOM 259 C ASN A 16 6.746 13.247 5.130 1.00 0.00 C ATOM 260 O ASN A 16 6.200 12.507 5.950 1.00 0.00 O ATOM 261 CB ASN A 16 8.727 13.692 6.594 1.00 0.00 C ATOM 262 CG ASN A 16 9.708 12.647 7.087 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.233 11.852 6.306 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.960 12.642 8.391 1.00 0.00 N ATOM 0 H ASN A 16 7.992 14.879 3.648 1.00 0.00 H new ATOM 0 HA ASN A 16 8.728 12.524 4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.189 14.677 6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.857 13.706 7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.611 11.961 8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.502 13.319 9.001 1.00 0.00 H new ATOM 271 N GLU A 17 6.059 13.897 4.190 1.00 0.00 N ATOM 272 CA GLU A 17 4.618 13.775 4.069 1.00 0.00 C ATOM 273 C GLU A 17 4.295 12.810 2.942 1.00 0.00 C ATOM 274 O GLU A 17 4.768 12.979 1.822 1.00 0.00 O ATOM 275 CB GLU A 17 3.997 15.145 3.804 1.00 0.00 C ATOM 276 CG GLU A 17 4.676 15.921 2.686 1.00 0.00 C ATOM 277 CD GLU A 17 5.827 16.776 3.182 1.00 0.00 C ATOM 278 OE1 GLU A 17 6.260 16.577 4.336 1.00 0.00 O ATOM 279 OE2 GLU A 17 6.296 17.643 2.414 1.00 0.00 O ATOM 0 H GLU A 17 6.487 14.515 3.501 1.00 0.00 H new ATOM 0 HA GLU A 17 4.201 13.389 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.944 15.014 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.037 15.735 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.045 15.221 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.941 16.558 2.193 1.00 0.00 H new ATOM 286 N ILE A 18 3.586 11.739 3.261 1.00 0.00 N ATOM 287 CA ILE A 18 3.342 10.697 2.271 1.00 0.00 C ATOM 288 C ILE A 18 1.956 10.760 1.638 1.00 0.00 C ATOM 289 O ILE A 18 0.924 10.683 2.302 1.00 0.00 O ATOM 290 CB ILE A 18 3.579 9.283 2.889 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.728 8.204 2.192 1.00 0.00 C ATOM 292 CG2 ILE A 18 3.314 9.284 4.387 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.290 8.165 2.647 1.00 0.00 C ATOM 0 H ILE A 18 3.175 11.568 4.179 1.00 0.00 H new ATOM 0 HA ILE A 18 4.058 10.879 1.470 1.00 0.00 H new ATOM 0 HB ILE A 18 4.628 9.037 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.753 8.376 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.181 7.229 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.488 8.285 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.984 9.992 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.280 9.575 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.759 7.379 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.252 7.961 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.818 9.126 2.444 1.00 0.00 H new ATOM 305 N PHE A 19 1.989 10.935 0.316 1.00 0.00 N ATOM 306 CA PHE A 19 0.797 11.043 -0.512 1.00 0.00 C ATOM 307 C PHE A 19 -0.062 9.774 -0.452 1.00 0.00 C ATOM 308 O PHE A 19 0.192 8.795 -1.153 1.00 0.00 O ATOM 309 CB PHE A 19 1.216 11.365 -1.962 1.00 0.00 C ATOM 310 CG PHE A 19 0.615 10.476 -3.018 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.674 10.692 -3.471 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.344 9.427 -3.555 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.227 9.881 -4.443 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.796 8.612 -4.526 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.491 8.840 -4.971 1.00 0.00 C ATOM 0 H PHE A 19 2.859 11.006 -0.212 1.00 0.00 H new ATOM 0 HA PHE A 19 0.178 11.852 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.943 12.397 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.302 11.301 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.255 11.504 -3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.351 9.245 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.234 10.061 -4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.374 7.797 -4.937 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.921 8.205 -5.731 1.00 0.00 H new ATOM 325 N ILE A 20 -1.089 9.816 0.384 1.00 0.00 N ATOM 326 CA ILE A 20 -2.006 8.693 0.524 1.00 0.00 C ATOM 327 C ILE A 20 -3.267 8.968 -0.292 1.00 0.00 C ATOM 328 O ILE A 20 -3.727 10.107 -0.361 1.00 0.00 O ATOM 329 CB ILE A 20 -2.409 8.426 1.994 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.885 9.519 2.926 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.905 7.064 2.443 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.366 9.374 4.353 1.00 0.00 C ATOM 0 H ILE A 20 -1.309 10.616 0.977 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.486 7.807 0.160 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.498 8.436 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.795 9.504 2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.194 10.492 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.197 6.892 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.338 6.289 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.818 7.033 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.956 10.182 4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.455 9.419 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.034 8.416 4.753 1.00 0.00 H new ATOM 344 N THR A 21 -3.826 7.933 -0.907 1.00 0.00 N ATOM 345 CA THR A 21 -5.037 8.102 -1.707 1.00 0.00 C ATOM 346 C THR A 21 -6.226 8.387 -0.798 1.00 0.00 C ATOM 347 O THR A 21 -6.644 7.526 -0.029 1.00 0.00 O ATOM 348 CB THR A 21 -5.313 6.858 -2.563 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.142 5.940 -1.871 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.062 6.117 -2.985 1.00 0.00 C ATOM 0 H THR A 21 -3.468 6.979 -0.870 1.00 0.00 H new ATOM 0 HA THR A 21 -4.887 8.948 -2.378 1.00 0.00 H new ATOM 0 HB THR A 21 -5.804 7.239 -3.458 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.946 5.982 -0.912 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.338 5.251 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.427 6.780 -3.573 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.519 5.786 -2.100 1.00 0.00 H new ATOM 358 N ARG A 22 -6.757 9.605 -0.881 1.00 0.00 N ATOM 359 CA ARG A 22 -7.888 10.000 -0.048 1.00 0.00 C ATOM 360 C ARG A 22 -8.958 10.714 -0.862 1.00 0.00 C ATOM 361 O ARG A 22 -8.658 11.376 -1.855 1.00 0.00 O ATOM 362 CB ARG A 22 -7.413 10.916 1.081 1.00 0.00 C ATOM 363 CG ARG A 22 -8.393 11.014 2.240 1.00 0.00 C ATOM 364 CD ARG A 22 -8.120 12.234 3.109 1.00 0.00 C ATOM 365 NE ARG A 22 -6.689 12.481 3.284 1.00 0.00 N ATOM 366 CZ ARG A 22 -5.974 13.303 2.516 1.00 0.00 C ATOM 367 NH1 ARG A 22 -6.544 13.953 1.507 1.00 0.00 N ATOM 368 NH2 ARG A 22 -4.681 13.472 2.754 1.00 0.00 N ATOM 0 H ARG A 22 -6.423 10.332 -1.514 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.324 9.093 0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.456 10.551 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.238 11.914 0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.411 11.064 1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.328 10.112 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.585 13.110 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.584 12.094 4.085 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.208 11.994 4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.537 13.825 1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.988 14.580 0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.235 12.973 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.132 14.101 2.167 1.00 0.00 H new ATOM 493 N ASN A 31 -13.590 7.340 2.910 1.00 0.00 N ATOM 494 CA ASN A 31 -13.330 6.026 3.489 1.00 0.00 C ATOM 495 C ASN A 31 -12.280 5.258 2.681 1.00 0.00 C ATOM 496 O ASN A 31 -11.851 4.176 3.082 1.00 0.00 O ATOM 497 CB ASN A 31 -14.628 5.217 3.562 1.00 0.00 C ATOM 498 CG ASN A 31 -14.929 4.730 4.966 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.699 3.567 5.294 1.00 0.00 O ATOM 500 ND2 ASN A 31 -15.447 5.622 5.802 1.00 0.00 N ATOM 0 HA ASN A 31 -12.939 6.175 4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.456 5.832 3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.557 4.361 2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.671 5.353 6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.621 6.576 5.486 1.00 0.00 H new ATOM 507 N LYS A 32 -11.876 5.818 1.544 1.00 0.00 N ATOM 508 CA LYS A 32 -10.885 5.178 0.684 1.00 0.00 C ATOM 509 C LYS A 32 -9.497 5.764 0.902 1.00 0.00 C ATOM 510 O LYS A 32 -8.657 5.747 0.002 1.00 0.00 O ATOM 511 CB LYS A 32 -11.288 5.301 -0.785 1.00 0.00 C ATOM 512 CG LYS A 32 -11.035 4.039 -1.595 1.00 0.00 C ATOM 513 CD LYS A 32 -11.907 2.886 -1.124 1.00 0.00 C ATOM 514 CE LYS A 32 -13.385 3.208 -1.269 1.00 0.00 C ATOM 515 NZ LYS A 32 -13.739 3.581 -2.667 1.00 0.00 N ATOM 0 H LYS A 32 -12.220 6.713 1.197 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.849 4.122 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.347 5.553 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.739 6.128 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.231 4.237 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.985 3.758 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.671 1.991 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.683 2.662 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.976 2.345 -0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.645 4.027 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.774 3.595 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.357 4.524 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.334 2.885 -3.325 1.00 0.00 H new ATOM 529 N LEU A 33 -9.270 6.284 2.098 1.00 0.00 N ATOM 530 CA LEU A 33 -7.983 6.885 2.453 1.00 0.00 C ATOM 531 C LEU A 33 -6.878 5.825 2.510 1.00 0.00 C ATOM 532 O LEU A 33 -6.247 5.629 3.545 1.00 0.00 O ATOM 533 CB LEU A 33 -8.102 7.605 3.802 1.00 0.00 C ATOM 534 CG LEU A 33 -6.798 8.179 4.367 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.109 9.074 3.351 1.00 0.00 C ATOM 536 CD2 LEU A 33 -7.072 8.945 5.652 1.00 0.00 C ATOM 0 H LEU A 33 -9.962 6.304 2.847 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.714 7.608 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.820 8.419 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.516 6.907 4.530 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.129 7.347 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.187 9.467 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.877 8.497 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.769 9.901 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.137 9.347 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.762 9.764 5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.514 8.274 6.389 1.00 0.00 H new ATOM 548 N GLU A 34 -6.650 5.141 1.389 1.00 0.00 N ATOM 549 CA GLU A 34 -5.628 4.100 1.322 1.00 0.00 C ATOM 550 C GLU A 34 -4.463 4.522 0.435 1.00 0.00 C ATOM 551 O GLU A 34 -4.471 5.603 -0.149 1.00 0.00 O ATOM 552 CB GLU A 34 -6.232 2.795 0.799 1.00 0.00 C ATOM 553 CG GLU A 34 -5.744 1.560 1.538 1.00 0.00 C ATOM 554 CD GLU A 34 -6.060 0.273 0.801 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.818 0.327 -0.191 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.551 -0.789 1.215 1.00 0.00 O ATOM 0 H GLU A 34 -7.159 5.289 0.517 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.248 3.943 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.318 2.850 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.994 2.693 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.667 1.633 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.201 1.529 2.527 1.00 0.00 H new ATOM 563 N PHE A 35 -3.457 3.660 0.354 1.00 0.00 N ATOM 564 CA PHE A 35 -2.269 3.930 -0.447 1.00 0.00 C ATOM 565 C PHE A 35 -2.077 2.871 -1.539 1.00 0.00 C ATOM 566 O PHE A 35 -2.733 1.830 -1.528 1.00 0.00 O ATOM 567 CB PHE A 35 -1.020 4.000 0.446 1.00 0.00 C ATOM 568 CG PHE A 35 -1.198 3.425 1.829 1.00 0.00 C ATOM 569 CD1 PHE A 35 -2.143 3.946 2.700 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.411 2.370 2.257 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.300 3.423 3.969 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.563 1.842 3.526 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.510 2.370 4.383 1.00 0.00 C ATOM 0 H PHE A 35 -3.441 2.762 0.837 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.412 4.895 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.206 3.471 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.714 5.042 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.764 4.771 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.331 1.954 1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.041 3.838 4.637 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.057 1.018 3.847 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.631 1.959 5.374 1.00 0.00 H new ATOM 583 N PRO A 36 -1.153 3.126 -2.487 1.00 0.00 N ATOM 584 CA PRO A 36 -0.841 2.201 -3.589 1.00 0.00 C ATOM 585 C PRO A 36 -0.652 0.769 -3.098 1.00 0.00 C ATOM 586 O PRO A 36 -0.535 0.533 -1.895 1.00 0.00 O ATOM 587 CB PRO A 36 0.489 2.736 -4.154 1.00 0.00 C ATOM 588 CG PRO A 36 0.928 3.811 -3.215 1.00 0.00 C ATOM 589 CD PRO A 36 -0.317 4.329 -2.563 1.00 0.00 C ATOM 0 HA PRO A 36 -1.648 2.163 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.234 1.943 -4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.356 3.128 -5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.623 3.419 -2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.448 4.606 -3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.116 4.747 -1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.788 5.115 -3.153 1.00 0.00 H new ATOM 597 N GLY A 37 -0.616 -0.189 -4.026 1.00 0.00 N ATOM 598 CA GLY A 37 -0.432 -1.572 -3.624 1.00 0.00 C ATOM 599 C GLY A 37 -1.696 -2.407 -3.626 1.00 0.00 C ATOM 600 O GLY A 37 -2.106 -2.954 -2.603 1.00 0.00 O ATOM 0 H GLY A 37 -0.709 -0.034 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.294 -2.036 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.002 -1.591 -2.622 1.00 0.00 H new ATOM 604 N GLY A 38 -2.297 -2.506 -4.790 1.00 0.00 N ATOM 605 CA GLY A 38 -3.510 -3.287 -4.958 1.00 0.00 C ATOM 606 C GLY A 38 -3.466 -4.160 -6.205 1.00 0.00 C ATOM 607 O GLY A 38 -3.225 -3.654 -7.300 1.00 0.00 O ATOM 0 H GLY A 38 -1.966 -2.054 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.658 -3.917 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.367 -2.616 -5.017 1.00 0.00 H new ATOM 611 N LYS A 39 -3.700 -5.472 -6.037 1.00 0.00 N ATOM 612 CA LYS A 39 -3.695 -6.428 -7.150 1.00 0.00 C ATOM 613 C LYS A 39 -2.305 -7.005 -7.399 1.00 0.00 C ATOM 614 O LYS A 39 -2.016 -7.501 -8.488 1.00 0.00 O ATOM 615 CB LYS A 39 -4.231 -5.802 -8.440 1.00 0.00 C ATOM 616 CG LYS A 39 -4.385 -6.806 -9.567 1.00 0.00 C ATOM 617 CD LYS A 39 -5.683 -6.598 -10.331 1.00 0.00 C ATOM 618 CE LYS A 39 -6.800 -7.472 -9.782 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.088 -6.732 -9.682 1.00 0.00 N ATOM 0 H LYS A 39 -3.897 -5.895 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.359 -7.241 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.197 -5.339 -8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.557 -5.007 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.541 -6.717 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.360 -7.817 -9.160 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.977 -5.550 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.526 -6.826 -11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.930 -8.341 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.518 -7.845 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.823 -7.363 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.972 -5.917 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.371 -6.398 -10.626 1.00 0.00 H new ATOM 633 N ILE A 40 -1.452 -6.964 -6.383 1.00 0.00 N ATOM 634 CA ILE A 40 -0.106 -7.517 -6.509 1.00 0.00 C ATOM 635 C ILE A 40 -0.182 -9.031 -6.549 1.00 0.00 C ATOM 636 O ILE A 40 0.616 -9.704 -7.202 1.00 0.00 O ATOM 637 CB ILE A 40 0.838 -7.060 -5.365 1.00 0.00 C ATOM 638 CG1 ILE A 40 0.966 -8.127 -4.260 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.352 -5.744 -4.779 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.392 -8.367 -3.818 1.00 0.00 C ATOM 0 H ILE A 40 -1.663 -6.559 -5.471 1.00 0.00 H new ATOM 0 HA ILE A 40 0.318 -7.137 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 40 1.830 -6.918 -5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.373 -7.820 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.543 -9.065 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.022 -5.433 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.340 -4.981 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.655 -5.873 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.408 -9.129 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.985 -8.705 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.813 -7.440 -3.428 1.00 0.00 H new ATOM 652 N GLU A 41 -1.163 -9.545 -5.824 1.00 0.00 N ATOM 653 CA GLU A 41 -1.408 -10.974 -5.722 1.00 0.00 C ATOM 654 C GLU A 41 -1.281 -11.656 -7.081 1.00 0.00 C ATOM 655 O GLU A 41 -0.226 -12.193 -7.412 1.00 0.00 O ATOM 656 CB GLU A 41 -2.798 -11.222 -5.123 1.00 0.00 C ATOM 657 CG GLU A 41 -3.843 -10.181 -5.527 1.00 0.00 C ATOM 658 CD GLU A 41 -5.099 -10.800 -6.115 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.051 -11.986 -6.505 1.00 0.00 O ATOM 660 OE2 GLU A 41 -6.128 -10.097 -6.187 1.00 0.00 O ATOM 0 H GLU A 41 -1.817 -8.977 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.653 -11.406 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.145 -12.208 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.717 -11.238 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.112 -9.586 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.405 -9.498 -6.255 1.00 0.00 H new ATOM 667 N MET A 42 -2.360 -11.622 -7.862 1.00 0.00 N ATOM 668 CA MET A 42 -2.376 -12.230 -9.194 1.00 0.00 C ATOM 669 C MET A 42 -1.676 -13.594 -9.199 1.00 0.00 C ATOM 670 O MET A 42 -2.312 -14.626 -8.983 1.00 0.00 O ATOM 671 CB MET A 42 -1.719 -11.294 -10.212 1.00 0.00 C ATOM 672 CG MET A 42 -2.563 -10.077 -10.552 1.00 0.00 C ATOM 673 SD MET A 42 -3.473 -10.273 -12.095 1.00 0.00 S ATOM 674 CE MET A 42 -2.138 -10.643 -13.230 1.00 0.00 C ATOM 0 H MET A 42 -3.239 -11.178 -7.595 1.00 0.00 H new ATOM 0 HA MET A 42 -3.417 -12.389 -9.474 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.758 -10.961 -9.820 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.515 -11.851 -11.126 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.267 -9.890 -9.741 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.918 -9.201 -10.624 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.372 -10.233 -14.213 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.214 -10.198 -12.862 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.015 -11.723 -13.307 1.00 0.00 H new ATOM 684 N GLY A 43 -0.367 -13.593 -9.447 1.00 0.00 N ATOM 685 CA GLY A 43 0.384 -14.834 -9.474 1.00 0.00 C ATOM 686 C GLY A 43 1.869 -14.617 -9.668 1.00 0.00 C ATOM 687 O GLY A 43 2.557 -15.447 -10.262 1.00 0.00 O ATOM 0 H GLY A 43 0.184 -12.755 -9.629 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.219 -15.373 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.006 -15.465 -10.278 1.00 0.00 H new ATOM 691 N GLU A 44 2.358 -13.497 -9.168 1.00 0.00 N ATOM 692 CA GLU A 44 3.772 -13.155 -9.284 1.00 0.00 C ATOM 693 C GLU A 44 4.566 -13.713 -8.104 1.00 0.00 C ATOM 694 O GLU A 44 4.092 -14.601 -7.395 1.00 0.00 O ATOM 695 CB GLU A 44 3.940 -11.637 -9.369 1.00 0.00 C ATOM 696 CG GLU A 44 4.615 -11.171 -10.650 1.00 0.00 C ATOM 697 CD GLU A 44 3.874 -10.028 -11.317 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.632 -10.105 -11.419 1.00 0.00 O ATOM 699 OE2 GLU A 44 4.537 -9.056 -11.737 1.00 0.00 O ATOM 0 H GLU A 44 1.797 -12.803 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 44 4.161 -13.605 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.960 -11.166 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.525 -11.296 -8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.634 -10.857 -10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.685 -12.008 -11.345 1.00 0.00 H new ATOM 706 N THR A 45 5.770 -13.186 -7.890 1.00 0.00 N ATOM 707 CA THR A 45 6.612 -13.634 -6.791 1.00 0.00 C ATOM 708 C THR A 45 6.531 -12.641 -5.635 1.00 0.00 C ATOM 709 O THR A 45 6.089 -11.507 -5.818 1.00 0.00 O ATOM 710 CB THR A 45 8.064 -13.790 -7.259 1.00 0.00 C ATOM 711 OG1 THR A 45 8.184 -13.479 -8.636 1.00 0.00 O ATOM 712 CG2 THR A 45 8.613 -15.186 -7.057 1.00 0.00 C ATOM 0 H THR A 45 6.181 -12.450 -8.464 1.00 0.00 H new ATOM 0 HA THR A 45 6.255 -14.605 -6.448 1.00 0.00 H new ATOM 0 HB THR A 45 8.639 -13.098 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.802 -14.110 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.644 -15.226 -7.409 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.582 -15.440 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.010 -15.899 -7.619 1.00 0.00 H new ATOM 720 N PRO A 46 6.956 -13.046 -4.427 1.00 0.00 N ATOM 721 CA PRO A 46 6.926 -12.184 -3.249 1.00 0.00 C ATOM 722 C PRO A 46 7.422 -10.772 -3.552 1.00 0.00 C ATOM 723 O PRO A 46 6.997 -9.807 -2.918 1.00 0.00 O ATOM 724 CB PRO A 46 7.869 -12.888 -2.256 1.00 0.00 C ATOM 725 CG PRO A 46 8.464 -14.041 -2.999 1.00 0.00 C ATOM 726 CD PRO A 46 7.499 -14.365 -4.099 1.00 0.00 C ATOM 0 HA PRO A 46 5.913 -12.054 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.645 -12.207 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.324 -13.230 -1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.443 -13.782 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.607 -14.898 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.994 -14.826 -4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.722 -15.055 -3.770 1.00 0.00 H new ATOM 734 N GLU A 47 8.329 -10.659 -4.516 1.00 0.00 N ATOM 735 CA GLU A 47 8.884 -9.364 -4.889 1.00 0.00 C ATOM 736 C GLU A 47 8.309 -8.847 -6.210 1.00 0.00 C ATOM 737 O GLU A 47 7.950 -7.676 -6.317 1.00 0.00 O ATOM 738 CB GLU A 47 10.408 -9.456 -4.990 1.00 0.00 C ATOM 739 CG GLU A 47 11.124 -9.144 -3.686 1.00 0.00 C ATOM 740 CD GLU A 47 11.403 -10.385 -2.861 1.00 0.00 C ATOM 741 OE1 GLU A 47 11.553 -11.472 -3.457 1.00 0.00 O ATOM 742 OE2 GLU A 47 11.472 -10.269 -1.619 1.00 0.00 O ATOM 0 H GLU A 47 8.694 -11.446 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 47 8.606 -8.656 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.682 -10.460 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.755 -8.766 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.065 -8.639 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.519 -8.452 -3.101 1.00 0.00 H new ATOM 749 N GLN A 48 8.243 -9.714 -7.219 1.00 0.00 N ATOM 750 CA GLN A 48 7.741 -9.321 -8.536 1.00 0.00 C ATOM 751 C GLN A 48 6.231 -9.093 -8.544 1.00 0.00 C ATOM 752 O GLN A 48 5.674 -8.663 -9.554 1.00 0.00 O ATOM 753 CB GLN A 48 8.114 -10.376 -9.579 1.00 0.00 C ATOM 754 CG GLN A 48 9.573 -10.318 -10.005 1.00 0.00 C ATOM 755 CD GLN A 48 10.271 -11.660 -9.888 1.00 0.00 C ATOM 756 OE1 GLN A 48 11.062 -11.883 -8.971 1.00 0.00 O ATOM 757 NE2 GLN A 48 9.981 -12.561 -10.819 1.00 0.00 N ATOM 0 H GLN A 48 8.530 -10.691 -7.151 1.00 0.00 H new ATOM 0 HA GLN A 48 8.213 -8.371 -8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.901 -11.366 -9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.482 -10.247 -10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.632 -9.971 -11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.098 -9.586 -9.391 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.319 -12.333 -11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.420 -13.481 -10.792 1.00 0.00 H new ATOM 766 N ALA A 49 5.570 -9.361 -7.425 1.00 0.00 N ATOM 767 CA ALA A 49 4.130 -9.157 -7.339 1.00 0.00 C ATOM 768 C ALA A 49 3.817 -7.683 -7.117 1.00 0.00 C ATOM 769 O ALA A 49 3.025 -7.086 -7.845 1.00 0.00 O ATOM 770 CB ALA A 49 3.540 -10.005 -6.224 1.00 0.00 C ATOM 0 H ALA A 49 6.003 -9.717 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 49 3.677 -9.467 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.464 -9.841 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.738 -11.058 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.995 -9.725 -5.274 1.00 0.00 H new ATOM 776 N VAL A 50 4.468 -7.100 -6.120 1.00 0.00 N ATOM 777 CA VAL A 50 4.285 -5.686 -5.818 1.00 0.00 C ATOM 778 C VAL A 50 5.098 -4.809 -6.763 1.00 0.00 C ATOM 779 O VAL A 50 4.650 -3.740 -7.164 1.00 0.00 O ATOM 780 CB VAL A 50 4.665 -5.327 -4.368 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.950 -6.019 -3.948 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.791 -3.814 -4.223 1.00 0.00 C ATOM 0 H VAL A 50 5.126 -7.582 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 50 3.220 -5.496 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 50 3.873 -5.679 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.191 -5.746 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.820 -7.099 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.762 -5.709 -4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.060 -3.568 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.564 -3.447 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.839 -3.344 -4.471 1.00 0.00 H new ATOM 792 N VAL A 51 6.304 -5.257 -7.095 1.00 0.00 N ATOM 793 CA VAL A 51 7.184 -4.493 -7.971 1.00 0.00 C ATOM 794 C VAL A 51 6.466 -4.095 -9.252 1.00 0.00 C ATOM 795 O VAL A 51 6.685 -3.003 -9.776 1.00 0.00 O ATOM 796 CB VAL A 51 8.474 -5.271 -8.312 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.313 -4.518 -9.338 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.284 -5.529 -7.050 1.00 0.00 C ATOM 0 H VAL A 51 6.693 -6.143 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 51 7.467 -3.591 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 51 8.188 -6.228 -8.748 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.215 -5.088 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.735 -4.383 -10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.590 -3.543 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.190 -6.078 -7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.553 -4.578 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.689 -6.116 -6.350 1.00 0.00 H new ATOM 808 N ARG A 52 5.600 -4.969 -9.753 1.00 0.00 N ATOM 809 CA ARG A 52 4.858 -4.671 -10.969 1.00 0.00 C ATOM 810 C ARG A 52 3.717 -3.705 -10.672 1.00 0.00 C ATOM 811 O ARG A 52 3.322 -2.910 -11.524 1.00 0.00 O ATOM 812 CB ARG A 52 4.318 -5.957 -11.598 1.00 0.00 C ATOM 813 CG ARG A 52 3.548 -5.727 -12.888 1.00 0.00 C ATOM 814 CD ARG A 52 4.468 -5.755 -14.098 1.00 0.00 C ATOM 815 NE ARG A 52 4.806 -7.119 -14.497 1.00 0.00 N ATOM 816 CZ ARG A 52 3.930 -7.979 -15.012 1.00 0.00 C ATOM 817 NH1 ARG A 52 2.664 -7.622 -15.190 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.321 -9.201 -15.348 1.00 0.00 N ATOM 0 H ARG A 52 5.397 -5.879 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 52 5.537 -4.199 -11.679 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.151 -6.632 -11.797 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.667 -6.457 -10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.780 -6.493 -12.996 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.036 -4.766 -12.841 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.987 -5.242 -14.931 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.382 -5.207 -13.871 1.00 0.00 H new ATOM 0 HE ARG A 52 5.769 -7.431 -14.374 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.357 -6.684 -14.932 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.998 -8.286 -15.585 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.292 -9.481 -15.212 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.650 -9.861 -15.743 1.00 0.00 H new ATOM 832 N GLU A 53 3.233 -3.751 -9.440 1.00 0.00 N ATOM 833 CA GLU A 53 2.180 -2.848 -9.002 1.00 0.00 C ATOM 834 C GLU A 53 2.805 -1.490 -8.698 1.00 0.00 C ATOM 835 O GLU A 53 2.197 -0.448 -8.889 1.00 0.00 O ATOM 836 CB GLU A 53 1.476 -3.406 -7.762 1.00 0.00 C ATOM 837 CG GLU A 53 0.021 -3.770 -8.002 1.00 0.00 C ATOM 838 CD GLU A 53 -0.139 -4.974 -8.909 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.841 -5.731 -9.071 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.246 -5.161 -9.455 1.00 0.00 O ATOM 0 H GLU A 53 3.553 -4.405 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 53 1.432 -2.743 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.011 -4.291 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.530 -2.669 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.461 -3.974 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.495 -2.917 -8.443 1.00 0.00 H new ATOM 847 N LEU A 54 4.023 -1.549 -8.173 1.00 0.00 N ATOM 848 CA LEU A 54 4.734 -0.338 -7.789 1.00 0.00 C ATOM 849 C LEU A 54 4.657 0.652 -8.942 1.00 0.00 C ATOM 850 O LEU A 54 4.318 1.820 -8.755 1.00 0.00 O ATOM 851 CB LEU A 54 6.195 -0.642 -7.460 1.00 0.00 C ATOM 852 CG LEU A 54 6.873 0.410 -6.587 1.00 0.00 C ATOM 853 CD1 LEU A 54 7.043 -0.110 -5.171 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.212 0.840 -7.181 1.00 0.00 C ATOM 0 H LEU A 54 4.535 -2.415 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 54 4.272 0.083 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.249 -1.606 -6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.753 -0.739 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 54 6.233 1.292 -6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.528 0.651 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.065 -0.345 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.658 -1.010 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.672 1.590 -6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.871 -0.025 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.051 1.263 -8.173 1.00 0.00 H new ATOM 866 N GLN A 55 4.972 0.169 -10.133 1.00 0.00 N ATOM 867 CA GLN A 55 4.938 1.005 -11.331 1.00 0.00 C ATOM 868 C GLN A 55 3.503 1.203 -11.819 1.00 0.00 C ATOM 869 O GLN A 55 3.186 2.210 -12.453 1.00 0.00 O ATOM 870 CB GLN A 55 5.784 0.377 -12.440 1.00 0.00 C ATOM 871 CG GLN A 55 5.830 1.205 -13.714 1.00 0.00 C ATOM 872 CD GLN A 55 6.542 0.493 -14.847 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.382 -0.377 -14.619 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.207 0.861 -16.079 1.00 0.00 N ATOM 0 H GLN A 55 5.255 -0.797 -10.300 1.00 0.00 H new ATOM 0 HA GLN A 55 5.352 1.980 -11.075 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.800 0.234 -12.073 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.387 -0.611 -12.673 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.813 1.446 -14.023 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.333 2.150 -13.511 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.505 1.587 -16.221 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.652 0.417 -16.883 1.00 0.00 H new ATOM 883 N GLU A 56 2.645 0.236 -11.518 1.00 0.00 N ATOM 884 CA GLU A 56 1.243 0.296 -11.925 1.00 0.00 C ATOM 885 C GLU A 56 0.450 1.248 -11.034 1.00 0.00 C ATOM 886 O GLU A 56 -0.567 1.797 -11.450 1.00 0.00 O ATOM 887 CB GLU A 56 0.615 -1.096 -11.867 1.00 0.00 C ATOM 888 CG GLU A 56 -0.360 -1.375 -13.000 1.00 0.00 C ATOM 889 CD GLU A 56 -1.755 -1.703 -12.505 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.887 -2.123 -11.335 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.716 -1.541 -13.286 1.00 0.00 O ATOM 0 H GLU A 56 2.894 -0.602 -10.992 1.00 0.00 H new ATOM 0 HA GLU A 56 1.210 0.669 -12.949 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.408 -1.844 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.095 -1.211 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.407 -0.506 -13.656 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.013 -2.206 -13.599 1.00 0.00 H new ATOM 898 N GLU A 57 0.915 1.418 -9.802 1.00 0.00 N ATOM 899 CA GLU A 57 0.250 2.280 -8.836 1.00 0.00 C ATOM 900 C GLU A 57 1.048 3.562 -8.577 1.00 0.00 C ATOM 901 O GLU A 57 0.660 4.384 -7.747 1.00 0.00 O ATOM 902 CB GLU A 57 0.045 1.525 -7.524 1.00 0.00 C ATOM 903 CG GLU A 57 -1.291 0.807 -7.441 1.00 0.00 C ATOM 904 CD GLU A 57 -1.160 -0.692 -7.614 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.346 -1.306 -6.892 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.874 -1.255 -8.471 1.00 0.00 O ATOM 0 H GLU A 57 1.758 0.965 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.716 2.566 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.848 0.797 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.124 2.227 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.753 1.018 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.959 1.200 -8.208 1.00 0.00 H new ATOM 913 N VAL A 58 2.151 3.731 -9.299 1.00 0.00 N ATOM 914 CA VAL A 58 2.987 4.915 -9.157 1.00 0.00 C ATOM 915 C VAL A 58 3.360 5.454 -10.528 1.00 0.00 C ATOM 916 O VAL A 58 3.298 6.657 -10.779 1.00 0.00 O ATOM 917 CB VAL A 58 4.269 4.617 -8.358 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.047 5.898 -8.098 1.00 0.00 C ATOM 919 CG2 VAL A 58 3.930 3.915 -7.051 1.00 0.00 C ATOM 0 H VAL A 58 2.486 3.060 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 58 2.411 5.660 -8.608 1.00 0.00 H new ATOM 0 HB VAL A 58 4.899 3.952 -8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.950 5.667 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.322 6.356 -9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.428 6.590 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.847 3.712 -6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.280 4.554 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.419 2.976 -7.264 1.00 0.00 H new ATOM 929 N GLY A 59 3.728 4.540 -11.422 1.00 0.00 N ATOM 930 CA GLY A 59 4.084 4.906 -12.779 1.00 0.00 C ATOM 931 C GLY A 59 5.389 5.659 -12.898 1.00 0.00 C ATOM 932 O GLY A 59 6.165 5.428 -13.825 1.00 0.00 O ATOM 0 H GLY A 59 3.786 3.541 -11.225 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.144 4.001 -13.383 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.286 5.517 -13.199 1.00 0.00 H new ATOM 936 N ILE A 60 5.625 6.564 -11.975 1.00 0.00 N ATOM 937 CA ILE A 60 6.841 7.365 -11.993 1.00 0.00 C ATOM 938 C ILE A 60 8.027 6.560 -11.473 1.00 0.00 C ATOM 939 O ILE A 60 7.919 5.355 -11.247 1.00 0.00 O ATOM 940 CB ILE A 60 6.680 8.676 -11.166 1.00 0.00 C ATOM 941 CG1 ILE A 60 7.569 9.813 -11.708 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.977 8.435 -9.691 1.00 0.00 C ATOM 943 CD1 ILE A 60 8.108 9.588 -13.108 1.00 0.00 C ATOM 0 H ILE A 60 4.994 6.768 -11.200 1.00 0.00 H new ATOM 0 HA ILE A 60 7.029 7.643 -13.030 1.00 0.00 H new ATOM 0 HB ILE A 60 5.640 8.987 -11.268 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.995 10.739 -11.700 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.410 9.953 -11.029 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.857 9.367 -9.139 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.287 7.689 -9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.000 8.077 -9.580 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.721 10.440 -13.403 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.714 8.682 -13.123 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.277 9.481 -13.805 1.00 0.00 H new ATOM 955 N THR A 61 9.155 7.233 -11.287 1.00 0.00 N ATOM 956 CA THR A 61 10.352 6.604 -10.796 1.00 0.00 C ATOM 957 C THR A 61 10.679 7.169 -9.425 1.00 0.00 C ATOM 958 O THR A 61 11.383 8.173 -9.310 1.00 0.00 O ATOM 959 CB THR A 61 11.483 6.901 -11.762 1.00 0.00 C ATOM 960 OG1 THR A 61 11.283 8.156 -12.390 1.00 0.00 O ATOM 961 CG2 THR A 61 11.625 5.864 -12.852 1.00 0.00 C ATOM 0 H THR A 61 9.255 8.230 -11.475 1.00 0.00 H new ATOM 0 HA THR A 61 10.214 5.526 -10.715 1.00 0.00 H new ATOM 0 HB THR A 61 12.391 6.897 -11.158 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.022 8.334 -13.009 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.452 6.137 -13.508 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.823 4.890 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.703 5.816 -13.431 1.00 0.00 H new ATOM 969 N PRO A 62 10.130 6.567 -8.367 1.00 0.00 N ATOM 970 CA PRO A 62 10.307 7.035 -7.013 1.00 0.00 C ATOM 971 C PRO A 62 11.213 6.163 -6.168 1.00 0.00 C ATOM 972 O PRO A 62 11.233 4.942 -6.328 1.00 0.00 O ATOM 973 CB PRO A 62 8.877 6.894 -6.511 1.00 0.00 C ATOM 974 CG PRO A 62 8.421 5.599 -7.108 1.00 0.00 C ATOM 975 CD PRO A 62 9.216 5.414 -8.384 1.00 0.00 C ATOM 0 HA PRO A 62 10.768 8.021 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.835 6.870 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.254 7.727 -6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.593 4.772 -6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.351 5.623 -7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.758 4.468 -8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.574 5.419 -9.265 1.00 0.00 H new ATOM 983 N GLN A 63 11.904 6.778 -5.212 1.00 0.00 N ATOM 984 CA GLN A 63 12.722 6.005 -4.305 1.00 0.00 C ATOM 985 C GLN A 63 11.755 5.330 -3.354 1.00 0.00 C ATOM 986 O GLN A 63 11.516 5.793 -2.240 1.00 0.00 O ATOM 987 CB GLN A 63 13.696 6.904 -3.541 1.00 0.00 C ATOM 988 CG GLN A 63 14.804 7.478 -4.408 1.00 0.00 C ATOM 989 CD GLN A 63 15.658 8.491 -3.668 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.399 8.807 -2.507 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.681 9.006 -4.339 1.00 0.00 N ATOM 0 H GLN A 63 11.910 7.786 -5.053 1.00 0.00 H new ATOM 0 HA GLN A 63 13.332 5.278 -4.842 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.140 7.724 -3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.142 6.332 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.438 6.667 -4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.365 7.951 -5.286 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.859 8.715 -5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.289 9.693 -3.893 1.00 0.00 H new ATOM 1000 N HIS A 64 11.161 4.258 -3.847 1.00 0.00 N ATOM 1001 CA HIS A 64 10.156 3.512 -3.117 1.00 0.00 C ATOM 1002 C HIS A 64 10.563 2.057 -3.039 1.00 0.00 C ATOM 1003 O HIS A 64 10.876 1.438 -4.056 1.00 0.00 O ATOM 1004 CB HIS A 64 8.822 3.687 -3.856 1.00 0.00 C ATOM 1005 CG HIS A 64 7.698 2.781 -3.430 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.670 1.679 -2.639 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.398 2.972 -3.853 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 6.370 1.234 -2.606 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.623 2.032 -3.344 1.00 0.00 N flip ATOM 0 H HIS A 64 11.365 3.879 -4.772 1.00 0.00 H new ATOM 0 HA HIS A 64 10.054 3.876 -2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.495 4.719 -3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.999 3.535 -4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.065 3.769 -4.502 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.017 0.370 -2.063 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.619 1.939 -3.496 1.00 0.00 H new ATOM 1018 N PHE A 65 10.572 1.510 -1.829 1.00 0.00 N ATOM 1019 CA PHE A 65 10.962 0.131 -1.637 1.00 0.00 C ATOM 1020 C PHE A 65 10.973 -0.235 -0.156 1.00 0.00 C ATOM 1021 O PHE A 65 10.536 0.539 0.688 1.00 0.00 O ATOM 1022 CB PHE A 65 12.351 -0.062 -2.211 1.00 0.00 C ATOM 1023 CG PHE A 65 12.551 -1.385 -2.892 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.667 -1.809 -3.870 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.620 -2.202 -2.560 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.843 -3.023 -4.506 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.803 -3.418 -3.193 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.912 -3.828 -4.167 1.00 0.00 C ATOM 0 H PHE A 65 10.314 2.003 -0.974 1.00 0.00 H new ATOM 0 HA PHE A 65 10.243 -0.514 -2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.552 0.737 -2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.082 0.036 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.829 -1.183 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.318 -1.886 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.146 -3.341 -5.267 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.640 -4.046 -2.927 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.052 -4.777 -4.662 1.00 0.00 H new ATOM 1038 N SER A 66 11.476 -1.425 0.140 1.00 0.00 N ATOM 1039 CA SER A 66 11.556 -1.916 1.511 1.00 0.00 C ATOM 1040 C SER A 66 10.164 -2.137 2.067 1.00 0.00 C ATOM 1041 O SER A 66 9.190 -1.654 1.501 1.00 0.00 O ATOM 1042 CB SER A 66 12.327 -0.932 2.395 1.00 0.00 C ATOM 1043 OG SER A 66 12.414 -1.405 3.727 1.00 0.00 O ATOM 0 H SER A 66 11.838 -2.075 -0.558 1.00 0.00 H new ATOM 0 HA SER A 66 12.091 -2.865 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.329 -0.784 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.832 0.039 2.382 1.00 0.00 H new ATOM 0 HG SER A 66 12.912 -0.760 4.271 1.00 0.00 H new ATOM 1049 N LEU A 67 10.071 -2.876 3.167 1.00 0.00 N ATOM 1050 CA LEU A 67 8.779 -3.162 3.781 1.00 0.00 C ATOM 1051 C LEU A 67 8.773 -2.783 5.258 1.00 0.00 C ATOM 1052 O LEU A 67 9.607 -3.249 6.034 1.00 0.00 O ATOM 1053 CB LEU A 67 8.426 -4.647 3.584 1.00 0.00 C ATOM 1054 CG LEU A 67 7.984 -5.416 4.838 1.00 0.00 C ATOM 1055 CD1 LEU A 67 7.098 -6.590 4.454 1.00 0.00 C ATOM 1056 CD2 LEU A 67 9.198 -5.897 5.622 1.00 0.00 C ATOM 0 H LEU A 67 10.870 -3.286 3.650 1.00 0.00 H new ATOM 0 HA LEU A 67 8.018 -2.555 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.629 -4.713 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.295 -5.152 3.162 1.00 0.00 H new ATOM 0 HG LEU A 67 7.409 -4.743 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.793 -7.125 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.214 -6.223 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.651 -7.265 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.868 -6.440 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.798 -6.556 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.798 -5.039 5.925 1.00 0.00 H new ATOM 1068 N PHE A 68 7.827 -1.927 5.643 1.00 0.00 N ATOM 1069 CA PHE A 68 7.720 -1.486 7.024 1.00 0.00 C ATOM 1070 C PHE A 68 7.099 -2.591 7.885 1.00 0.00 C ATOM 1071 O PHE A 68 7.511 -2.812 9.023 1.00 0.00 O ATOM 1072 CB PHE A 68 6.892 -0.189 7.102 1.00 0.00 C ATOM 1073 CG PHE A 68 5.639 -0.285 7.936 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.538 -0.986 7.475 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.566 0.329 9.177 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.387 -1.076 8.233 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.416 0.243 9.941 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.325 -0.460 9.468 1.00 0.00 C ATOM 0 H PHE A 68 7.128 -1.529 5.016 1.00 0.00 H new ATOM 0 HA PHE A 68 8.717 -1.276 7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.521 0.603 7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.616 0.110 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.580 -1.469 6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.416 0.880 9.551 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.536 -1.627 7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.371 0.725 10.906 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.426 -0.528 10.062 1.00 0.00 H new ATOM 1088 N GLU A 69 6.107 -3.280 7.322 1.00 0.00 N ATOM 1089 CA GLU A 69 5.430 -4.363 8.032 1.00 0.00 C ATOM 1090 C GLU A 69 4.483 -5.135 7.119 1.00 0.00 C ATOM 1091 O GLU A 69 3.755 -4.559 6.320 1.00 0.00 O ATOM 1092 CB GLU A 69 4.664 -3.809 9.235 1.00 0.00 C ATOM 1093 CG GLU A 69 5.038 -4.474 10.550 1.00 0.00 C ATOM 1094 CD GLU A 69 4.635 -3.648 11.755 1.00 0.00 C ATOM 1095 OE1 GLU A 69 5.108 -2.498 11.873 1.00 0.00 O ATOM 1096 OE2 GLU A 69 3.846 -4.152 12.582 1.00 0.00 O ATOM 0 H GLU A 69 5.756 -3.108 6.380 1.00 0.00 H new ATOM 0 HA GLU A 69 6.195 -5.057 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.850 -2.738 9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.595 -3.935 9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.560 -5.452 10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.114 -4.644 10.574 1.00 0.00 H new ATOM 1103 N LYS A 70 4.487 -6.448 7.266 1.00 0.00 N ATOM 1104 CA LYS A 70 3.622 -7.312 6.477 1.00 0.00 C ATOM 1105 C LYS A 70 2.718 -8.113 7.412 1.00 0.00 C ATOM 1106 O LYS A 70 3.191 -8.676 8.400 1.00 0.00 O ATOM 1107 CB LYS A 70 4.471 -8.243 5.600 1.00 0.00 C ATOM 1108 CG LYS A 70 3.852 -9.610 5.359 1.00 0.00 C ATOM 1109 CD LYS A 70 4.690 -10.440 4.399 1.00 0.00 C ATOM 1110 CE LYS A 70 4.682 -11.910 4.782 1.00 0.00 C ATOM 1111 NZ LYS A 70 5.919 -12.607 4.335 1.00 0.00 N ATOM 0 H LYS A 70 5.083 -6.943 7.929 1.00 0.00 H new ATOM 0 HA LYS A 70 2.996 -6.707 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.643 -7.760 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.446 -8.376 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.753 -10.138 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.847 -9.489 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.306 -10.325 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.715 -10.069 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.584 -12.003 5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.812 -12.396 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.874 -13.607 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.000 -12.541 3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.748 -12.160 4.777 1.00 0.00 H new ATOM 1125 N LEU A 71 1.419 -8.158 7.121 1.00 0.00 N ATOM 1126 CA LEU A 71 0.497 -8.885 7.974 1.00 0.00 C ATOM 1127 C LEU A 71 0.086 -10.229 7.370 1.00 0.00 C ATOM 1128 O LEU A 71 -0.541 -10.301 6.312 1.00 0.00 O ATOM 1129 CB LEU A 71 -0.745 -8.030 8.238 1.00 0.00 C ATOM 1130 CG LEU A 71 -1.896 -8.761 8.928 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.170 -8.164 10.300 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.148 -8.725 8.065 1.00 0.00 C ATOM 0 H LEU A 71 0.992 -7.706 6.313 1.00 0.00 H new ATOM 0 HA LEU A 71 1.012 -9.094 8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.457 -7.176 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.104 -7.633 7.288 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.605 -9.803 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.993 -8.700 10.772 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.277 -8.251 10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.436 -7.112 10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.956 -9.251 8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.441 -7.689 7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.945 -9.209 7.110 1.00 0.00 H new ATOM 1144 N GLU A 72 0.471 -11.282 8.074 1.00 0.00 N ATOM 1145 CA GLU A 72 0.180 -12.635 7.646 1.00 0.00 C ATOM 1146 C GLU A 72 -0.756 -13.338 8.626 1.00 0.00 C ATOM 1147 O GLU A 72 -0.360 -13.713 9.729 1.00 0.00 O ATOM 1148 CB GLU A 72 1.484 -13.411 7.491 1.00 0.00 C ATOM 1149 CG GLU A 72 1.271 -14.873 7.189 1.00 0.00 C ATOM 1150 CD GLU A 72 2.567 -15.656 7.118 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.395 -15.354 6.234 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.755 -16.570 7.947 1.00 0.00 O ATOM 0 H GLU A 72 0.989 -11.221 8.950 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.330 -12.594 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.073 -12.963 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.067 -13.317 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.631 -15.308 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.742 -14.970 6.241 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.003 -13.520 8.193 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.020 -14.187 8.998 1.00 0.00 C ATOM 1161 C TYR A 73 -3.935 -15.042 8.119 1.00 0.00 C ATOM 1162 O TYR A 73 -4.474 -14.558 7.126 1.00 0.00 O ATOM 1163 CB TYR A 73 -3.847 -13.156 9.768 1.00 0.00 C ATOM 1164 CG TYR A 73 -4.283 -13.628 11.137 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -3.389 -14.259 11.992 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -5.588 -13.440 11.575 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -3.783 -14.691 13.244 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -5.990 -13.867 12.825 1.00 0.00 C ATOM 1169 CZ TYR A 73 -5.084 -14.492 13.656 1.00 0.00 C ATOM 1170 OH TYR A 73 -5.480 -14.920 14.903 1.00 0.00 O ATOM 0 H TYR A 73 -2.333 -13.210 7.279 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.516 -14.841 9.710 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.263 -12.242 9.877 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.730 -12.901 9.183 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.369 -14.415 11.673 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.300 -12.951 10.927 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.076 -15.182 13.896 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.008 -13.712 13.150 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.426 -14.703 15.038 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.126 -16.303 8.493 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.002 -17.191 7.729 1.00 0.00 C ATOM 1182 C GLU A 74 -6.128 -17.729 8.604 1.00 0.00 C ATOM 1183 O GLU A 74 -5.889 -18.387 9.616 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.218 -18.344 7.098 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.188 -18.970 8.023 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.028 -19.588 7.268 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.057 -18.861 6.973 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -2.090 -20.801 6.975 1.00 0.00 O ATOM 0 H GLU A 74 -3.692 -16.732 9.311 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.441 -16.603 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.919 -19.114 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.714 -17.980 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.809 -18.210 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.669 -19.735 8.632 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.357 -17.430 8.203 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.541 -17.853 8.924 1.00 0.00 C ATOM 1197 C PHE A 75 -8.948 -19.278 8.536 1.00 0.00 C ATOM 1198 O PHE A 75 -8.506 -19.799 7.517 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.678 -16.877 8.629 1.00 0.00 C ATOM 1200 CG PHE A 75 -9.696 -15.676 9.531 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -8.949 -14.550 9.218 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.459 -15.669 10.688 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -8.963 -13.441 10.042 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -10.476 -14.563 11.516 1.00 0.00 C ATOM 1205 CZ PHE A 75 -9.727 -13.448 11.194 1.00 0.00 C ATOM 0 H PHE A 75 -7.557 -16.885 7.364 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.322 -17.854 9.992 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.597 -16.542 7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.628 -17.403 8.721 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.349 -14.540 8.320 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.047 -16.538 10.945 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.378 -12.570 9.786 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.075 -14.570 12.415 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.738 -12.583 11.841 1.00 0.00 H new ATOM 1215 N PRO A 76 -9.803 -19.923 9.354 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.290 -21.284 9.110 1.00 0.00 C ATOM 1217 C PRO A 76 -10.815 -21.457 7.690 1.00 0.00 C ATOM 1218 O PRO A 76 -12.006 -21.293 7.430 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.430 -21.455 10.127 1.00 0.00 C ATOM 1220 CG PRO A 76 -11.689 -20.084 10.658 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.377 -19.368 10.572 1.00 0.00 C ATOM 0 HA PRO A 76 -9.497 -22.024 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.321 -21.869 9.654 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.146 -22.140 10.926 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.454 -19.574 10.072 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.048 -20.123 11.686 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.506 -18.288 10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.750 -19.561 11.442 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.896 -21.773 6.784 1.00 0.00 N ATOM 1230 CA ASP A 77 -10.201 -21.967 5.359 1.00 0.00 C ATOM 1231 C ASP A 77 -10.025 -20.655 4.600 1.00 0.00 C ATOM 1232 O ASP A 77 -10.663 -20.418 3.576 1.00 0.00 O ATOM 1233 CB ASP A 77 -11.619 -22.516 5.148 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.936 -23.676 6.072 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -11.005 -24.439 6.408 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -13.114 -23.822 6.460 1.00 0.00 O ATOM 0 H ASP A 77 -8.911 -21.904 7.013 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.501 -22.706 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.342 -21.717 5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.730 -22.839 4.113 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.147 -19.813 5.129 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.850 -18.512 4.549 1.00 0.00 C ATOM 1243 C ARG A 78 -7.349 -18.254 4.576 1.00 0.00 C ATOM 1244 O ARG A 78 -6.642 -18.751 5.452 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.585 -17.401 5.292 1.00 0.00 C ATOM 1246 CG ARG A 78 -9.881 -16.190 4.419 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.373 -15.919 4.319 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.755 -14.694 5.019 1.00 0.00 N ATOM 1249 CZ ARG A 78 -11.606 -13.473 4.511 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -11.084 -13.308 3.302 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -11.981 -12.414 5.215 1.00 0.00 N ATOM 0 H ARG A 78 -8.618 -20.016 5.977 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.193 -18.516 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.522 -17.794 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.986 -17.087 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.379 -15.314 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.473 -16.352 3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.658 -15.841 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.923 -16.762 4.737 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.159 -14.780 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.794 -14.120 2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.973 -12.369 2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.383 -12.536 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.867 -11.477 4.827 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.876 -17.444 3.643 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.473 -17.080 3.585 1.00 0.00 C ATOM 1267 C HIS A 79 -5.334 -15.657 3.054 1.00 0.00 C ATOM 1268 O HIS A 79 -5.557 -15.411 1.870 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.690 -18.068 2.718 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.641 -19.452 3.287 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -5.723 -20.310 3.275 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -3.633 -20.130 3.885 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -5.381 -21.453 3.843 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -4.120 -21.370 4.220 1.00 0.00 N ATOM 0 H HIS A 79 -7.449 -17.024 2.911 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.054 -17.122 4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.142 -18.107 1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.672 -17.700 2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.633 -19.764 4.065 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.025 -22.310 3.976 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.591 -22.108 4.685 1.00 0.00 H new ATOM 1283 N ILE A 80 -4.955 -14.720 3.915 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.783 -13.344 3.503 1.00 0.00 C ATOM 1285 C ILE A 80 -3.356 -12.905 3.797 1.00 0.00 C ATOM 1286 O ILE A 80 -2.797 -13.245 4.840 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.772 -12.405 4.221 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.470 -10.958 3.860 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -5.699 -12.601 5.725 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.700 -10.080 3.769 1.00 0.00 C ATOM 0 H ILE A 80 -4.762 -14.894 4.901 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.984 -13.283 2.433 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.783 -12.647 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.792 -10.541 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.946 -10.934 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.404 -11.929 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.951 -13.633 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.689 -12.382 6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.403 -9.064 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.370 -10.471 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.213 -10.072 4.730 1.00 0.00 H new ATOM 1302 N THR A 81 -2.765 -12.159 2.879 1.00 0.00 N ATOM 1303 CA THR A 81 -1.402 -11.694 3.053 1.00 0.00 C ATOM 1304 C THR A 81 -1.273 -10.220 2.685 1.00 0.00 C ATOM 1305 O THR A 81 -1.509 -9.837 1.541 1.00 0.00 O ATOM 1306 CB THR A 81 -0.464 -12.533 2.187 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.190 -13.520 1.477 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.612 -13.244 2.970 1.00 0.00 C ATOM 0 H THR A 81 -3.207 -11.864 2.009 1.00 0.00 H new ATOM 0 HA THR A 81 -1.129 -11.804 4.103 1.00 0.00 H new ATOM 0 HB THR A 81 0.012 -11.820 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.586 -14.246 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.238 -13.819 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.225 -12.511 3.495 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.151 -13.916 3.694 1.00 0.00 H new ATOM 1316 N LEU A 82 -0.892 -9.399 3.653 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.726 -7.971 3.411 1.00 0.00 C ATOM 1318 C LEU A 82 0.729 -7.561 3.601 1.00 0.00 C ATOM 1319 O LEU A 82 1.257 -7.619 4.707 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.619 -7.160 4.354 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.123 -7.309 4.120 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -3.896 -6.950 5.379 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.572 -6.440 2.954 1.00 0.00 C ATOM 0 H LEU A 82 -0.693 -9.694 4.609 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.019 -7.766 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.397 -7.454 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.356 -6.106 4.260 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.330 -8.350 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.964 -7.062 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.597 -7.613 6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.682 -5.918 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.645 -6.560 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.351 -5.395 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.043 -6.742 2.050 1.00 0.00 H new ATOM 1335 N TRP A 83 1.376 -7.142 2.521 1.00 0.00 N ATOM 1336 CA TRP A 83 2.770 -6.723 2.596 1.00 0.00 C ATOM 1337 C TRP A 83 2.876 -5.207 2.477 1.00 0.00 C ATOM 1338 O TRP A 83 2.446 -4.632 1.481 1.00 0.00 O ATOM 1339 CB TRP A 83 3.605 -7.377 1.486 1.00 0.00 C ATOM 1340 CG TRP A 83 3.190 -8.775 1.121 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.460 -9.651 1.875 1.00 0.00 C ATOM 1342 CD2 TRP A 83 3.494 -9.460 -0.100 1.00 0.00 C ATOM 1343 NE1 TRP A 83 2.301 -10.836 1.199 1.00 0.00 N ATOM 1344 CE2 TRP A 83 2.922 -10.743 -0.015 1.00 0.00 C ATOM 1345 CE3 TRP A 83 4.195 -9.112 -1.258 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 3.028 -11.677 -1.042 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 4.300 -10.040 -2.277 1.00 0.00 C ATOM 1348 CH2 TRP A 83 3.718 -11.309 -2.164 1.00 0.00 C ATOM 0 H TRP A 83 0.963 -7.083 1.590 1.00 0.00 H new ATOM 0 HA TRP A 83 3.159 -7.042 3.563 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.549 -6.753 0.594 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.649 -7.394 1.799 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.066 -9.442 2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.800 -11.654 1.547 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.646 -8.136 -1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.582 -12.657 -0.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 4.840 -9.782 -3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.816 -12.011 -2.979 1.00 0.00 H new ATOM 1359 N PHE A 84 3.472 -4.561 3.477 1.00 0.00 N ATOM 1360 CA PHE A 84 3.638 -3.112 3.430 1.00 0.00 C ATOM 1361 C PHE A 84 5.075 -2.763 3.052 1.00 0.00 C ATOM 1362 O PHE A 84 6.020 -3.262 3.662 1.00 0.00 O ATOM 1363 CB PHE A 84 3.270 -2.442 4.764 1.00 0.00 C ATOM 1364 CG PHE A 84 1.789 -2.402 5.062 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.953 -3.437 4.669 1.00 0.00 C ATOM 1366 CD2 PHE A 84 1.232 -1.323 5.741 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.400 -3.398 4.944 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.121 -1.282 6.017 1.00 0.00 C ATOM 1369 CZ PHE A 84 -0.937 -2.320 5.619 1.00 0.00 C ATOM 0 H PHE A 84 3.842 -5.009 4.315 1.00 0.00 H new ATOM 0 HA PHE A 84 2.954 -2.730 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.775 -2.971 5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.654 -1.422 4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.365 -4.284 4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.865 -0.507 6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.038 -4.211 4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.539 -0.437 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.995 -2.290 5.835 1.00 0.00 H new ATOM 1379 N TRP A 85 5.237 -1.905 2.048 1.00 0.00 N ATOM 1380 CA TRP A 85 6.566 -1.494 1.600 1.00 0.00 C ATOM 1381 C TRP A 85 6.870 -0.071 2.057 1.00 0.00 C ATOM 1382 O TRP A 85 6.108 0.849 1.763 1.00 0.00 O ATOM 1383 CB TRP A 85 6.664 -1.598 0.078 1.00 0.00 C ATOM 1384 CG TRP A 85 6.470 -2.996 -0.419 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.283 -3.598 -0.722 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.490 -3.970 -0.660 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.503 -4.887 -1.139 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.850 -5.140 -1.110 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.883 -3.967 -0.541 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.555 -6.295 -1.440 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.582 -5.115 -0.869 1.00 0.00 C ATOM 1392 CH2 TRP A 85 8.917 -6.264 -1.314 1.00 0.00 C ATOM 0 H TRP A 85 4.467 -1.481 1.530 1.00 0.00 H new ATOM 0 HA TRP A 85 7.304 -2.161 2.045 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.915 -0.948 -0.375 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.639 -1.234 -0.245 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.313 -3.129 -0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.781 -5.549 -1.424 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.404 -3.085 -0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.045 -7.183 -1.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.658 -5.125 -0.780 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.491 -7.144 -1.563 1.00 0.00 H new ATOM 1403 N LEU A 86 7.959 0.113 2.815 1.00 0.00 N ATOM 1404 CA LEU A 86 8.270 1.447 3.320 1.00 0.00 C ATOM 1405 C LEU A 86 8.951 2.329 2.269 1.00 0.00 C ATOM 1406 O LEU A 86 10.160 2.266 2.060 1.00 0.00 O ATOM 1407 CB LEU A 86 9.175 1.337 4.548 1.00 0.00 C ATOM 1408 CG LEU A 86 9.577 2.672 5.177 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.493 3.163 6.126 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.906 2.540 5.907 1.00 0.00 C ATOM 0 H LEU A 86 8.616 -0.620 3.082 1.00 0.00 H new ATOM 0 HA LEU A 86 7.323 1.918 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.667 0.736 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.080 0.798 4.267 1.00 0.00 H new ATOM 0 HG LEU A 86 9.694 3.406 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.796 4.114 6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.562 3.298 5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.344 2.430 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.176 3.500 6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.816 1.791 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.679 2.234 5.202 1.00 0.00 H new ATOM 1422 N VAL A 87 8.136 3.151 1.620 1.00 0.00 N ATOM 1423 CA VAL A 87 8.582 4.069 0.568 1.00 0.00 C ATOM 1424 C VAL A 87 9.323 5.258 1.126 1.00 0.00 C ATOM 1425 O VAL A 87 9.018 5.728 2.220 1.00 0.00 O ATOM 1426 CB VAL A 87 7.405 4.594 -0.240 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.872 5.335 -1.482 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.472 3.448 -0.595 1.00 0.00 C ATOM 0 H VAL A 87 7.135 3.203 1.808 1.00 0.00 H new ATOM 0 HA VAL A 87 9.252 3.490 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 87 6.857 5.312 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.006 5.697 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.495 6.180 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.450 4.660 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.631 3.830 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.013 2.708 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.102 2.983 0.319 1.00 0.00 H new ATOM 1438 N GLU A 88 10.312 5.735 0.380 1.00 0.00 N ATOM 1439 CA GLU A 88 11.087 6.870 0.846 1.00 0.00 C ATOM 1440 C GLU A 88 10.908 8.155 0.014 1.00 0.00 C ATOM 1441 O GLU A 88 10.965 9.249 0.575 1.00 0.00 O ATOM 1442 CB GLU A 88 12.570 6.503 0.917 1.00 0.00 C ATOM 1443 CG GLU A 88 13.447 7.616 1.469 1.00 0.00 C ATOM 1444 CD GLU A 88 14.395 7.133 2.548 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.679 5.917 2.588 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.854 7.970 3.354 1.00 0.00 O ATOM 0 H GLU A 88 10.589 5.362 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 88 10.698 7.099 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.687 5.617 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.918 6.239 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.023 8.056 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.814 8.405 1.874 1.00 0.00 H new ATOM 1453 N ARG A 89 10.729 8.054 -1.306 1.00 0.00 N ATOM 1454 CA ARG A 89 10.592 9.263 -2.126 1.00 0.00 C ATOM 1455 C ARG A 89 10.009 8.960 -3.506 1.00 0.00 C ATOM 1456 O ARG A 89 9.977 7.807 -3.931 1.00 0.00 O ATOM 1457 CB ARG A 89 11.960 9.958 -2.246 1.00 0.00 C ATOM 1458 CG ARG A 89 12.299 10.473 -3.641 1.00 0.00 C ATOM 1459 CD ARG A 89 13.713 11.030 -3.704 1.00 0.00 C ATOM 1460 NE ARG A 89 13.722 12.476 -3.922 1.00 0.00 N ATOM 1461 CZ ARG A 89 13.628 13.378 -2.946 1.00 0.00 C ATOM 1462 NH1 ARG A 89 13.526 12.991 -1.681 1.00 0.00 N ATOM 1463 NH2 ARG A 89 13.640 14.672 -3.238 1.00 0.00 N ATOM 0 H ARG A 89 10.676 7.174 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 89 9.888 9.932 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.988 10.795 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.735 9.258 -1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.194 9.664 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.589 11.249 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.235 10.800 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.261 10.539 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 89 13.805 12.815 -4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.519 11.997 -1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.454 13.687 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.721 14.975 -4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.568 15.364 -2.492 1.00 0.00 H new ATOM 1477 N TRP A 90 9.579 10.009 -4.214 1.00 0.00 N ATOM 1478 CA TRP A 90 9.036 9.844 -5.560 1.00 0.00 C ATOM 1479 C TRP A 90 9.470 10.978 -6.486 1.00 0.00 C ATOM 1480 O TRP A 90 9.620 12.120 -6.053 1.00 0.00 O ATOM 1481 CB TRP A 90 7.511 9.717 -5.535 1.00 0.00 C ATOM 1482 CG TRP A 90 6.780 11.011 -5.347 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.509 11.952 -6.297 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.207 11.489 -4.132 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.794 12.988 -5.742 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.596 12.725 -4.411 1.00 0.00 C ATOM 1487 CE3 TRP A 90 6.151 10.986 -2.834 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.931 13.463 -3.435 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.493 11.717 -1.865 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.887 12.943 -2.169 1.00 0.00 C ATOM 0 H TRP A 90 9.597 10.972 -3.879 1.00 0.00 H new ATOM 0 HA TRP A 90 9.445 8.916 -5.958 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.182 9.262 -6.469 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.229 9.036 -4.732 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.811 11.892 -7.332 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.465 13.816 -6.239 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.614 10.041 -2.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.467 14.410 -3.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.445 11.337 -0.855 1.00 0.00 H new ATOM 0 HH2 TRP A 90 4.375 13.488 -1.390 1.00 0.00 H new ATOM 1501 N GLU A 91 9.676 10.653 -7.766 1.00 0.00 N ATOM 1502 CA GLU A 91 10.099 11.649 -8.744 1.00 0.00 C ATOM 1503 C GLU A 91 8.890 12.313 -9.391 1.00 0.00 C ATOM 1504 O GLU A 91 7.886 11.658 -9.669 1.00 0.00 O ATOM 1505 CB GLU A 91 10.978 11.001 -9.818 1.00 0.00 C ATOM 1506 CG GLU A 91 11.718 12.006 -10.684 1.00 0.00 C ATOM 1507 CD GLU A 91 11.108 12.149 -12.065 1.00 0.00 C ATOM 1508 OE1 GLU A 91 9.904 12.467 -12.152 1.00 0.00 O ATOM 1509 OE2 GLU A 91 11.835 11.943 -13.061 1.00 0.00 O ATOM 0 H GLU A 91 9.557 9.713 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 91 10.679 12.412 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.703 10.346 -9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.355 10.373 -10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.717 12.977 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.759 11.699 -10.781 1.00 0.00 H new ATOM 1516 N GLY A 92 8.989 13.618 -9.622 1.00 0.00 N ATOM 1517 CA GLY A 92 7.887 14.342 -10.228 1.00 0.00 C ATOM 1518 C GLY A 92 6.603 14.182 -9.444 1.00 0.00 C ATOM 1519 O GLY A 92 6.464 14.722 -8.347 1.00 0.00 O ATOM 0 H GLY A 92 9.808 14.185 -9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.141 15.400 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.736 13.986 -11.247 1.00 0.00 H new ATOM 1523 N GLU A 93 5.668 13.431 -10.005 1.00 0.00 N ATOM 1524 CA GLU A 93 4.390 13.189 -9.352 1.00 0.00 C ATOM 1525 C GLU A 93 4.002 11.714 -9.439 1.00 0.00 C ATOM 1526 O GLU A 93 4.208 11.074 -10.470 1.00 0.00 O ATOM 1527 CB GLU A 93 3.298 14.052 -9.986 1.00 0.00 C ATOM 1528 CG GLU A 93 1.937 13.880 -9.332 1.00 0.00 C ATOM 1529 CD GLU A 93 0.975 14.999 -9.679 1.00 0.00 C ATOM 1530 OE1 GLU A 93 0.955 16.013 -8.950 1.00 0.00 O ATOM 1531 OE2 GLU A 93 0.242 14.863 -10.681 1.00 0.00 O ATOM 0 H GLU A 93 5.770 12.978 -10.913 1.00 0.00 H new ATOM 0 HA GLU A 93 4.493 13.458 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.592 15.100 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.218 13.804 -11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.507 12.928 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.061 13.836 -8.250 1.00 0.00 H new ATOM 1538 N PRO A 94 3.421 11.152 -8.362 1.00 0.00 N ATOM 1539 CA PRO A 94 2.990 9.755 -8.332 1.00 0.00 C ATOM 1540 C PRO A 94 1.700 9.570 -9.115 1.00 0.00 C ATOM 1541 O PRO A 94 0.735 10.303 -8.899 1.00 0.00 O ATOM 1542 CB PRO A 94 2.750 9.475 -6.836 1.00 0.00 C ATOM 1543 CG PRO A 94 3.195 10.703 -6.110 1.00 0.00 C ATOM 1544 CD PRO A 94 3.111 11.827 -7.099 1.00 0.00 C ATOM 0 HA PRO A 94 3.721 9.083 -8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.698 9.267 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.313 8.602 -6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.559 10.896 -5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.213 10.588 -5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.121 12.283 -7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.824 12.620 -6.875 1.00 0.00 H new ATOM 1552 N TRP A 95 1.670 8.604 -10.030 1.00 0.00 N ATOM 1553 CA TRP A 95 0.466 8.386 -10.818 1.00 0.00 C ATOM 1554 C TRP A 95 0.087 6.916 -10.929 1.00 0.00 C ATOM 1555 O TRP A 95 -0.954 6.494 -10.427 1.00 0.00 O ATOM 1556 CB TRP A 95 0.614 8.984 -12.223 1.00 0.00 C ATOM 1557 CG TRP A 95 1.887 8.618 -12.944 1.00 0.00 C ATOM 1558 CD1 TRP A 95 3.083 9.268 -12.869 1.00 0.00 C ATOM 1559 CD2 TRP A 95 2.086 7.528 -13.862 1.00 0.00 C ATOM 1560 NE1 TRP A 95 4.008 8.665 -13.692 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.418 7.597 -14.311 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.267 6.501 -14.347 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.946 6.689 -15.227 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.794 5.598 -15.251 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.120 5.700 -15.686 1.00 0.00 C ATOM 0 H TRP A 95 2.446 7.976 -10.239 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.338 8.894 -10.285 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.233 8.663 -12.829 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.558 10.070 -12.146 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.277 10.133 -12.252 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.974 8.965 -13.819 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.241 6.416 -14.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.970 6.764 -15.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.172 4.800 -15.628 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.499 4.983 -16.399 1.00 0.00 H new ATOM 1576 N GLY A 96 0.927 6.148 -11.606 1.00 0.00 N ATOM 1577 CA GLY A 96 0.660 4.733 -11.800 1.00 0.00 C ATOM 1578 C GLY A 96 -0.786 4.449 -12.168 1.00 0.00 C ATOM 1579 O GLY A 96 -1.181 4.596 -13.326 1.00 0.00 O ATOM 0 H GLY A 96 1.795 6.479 -12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.311 4.350 -12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.910 4.193 -10.887 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.569 4.041 -11.175 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.982 3.724 -11.370 1.00 0.00 C ATOM 1585 C LYS A 97 -3.585 3.163 -10.086 1.00 0.00 C ATOM 1586 O LYS A 97 -4.402 2.242 -10.120 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.158 2.713 -12.509 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.351 3.007 -13.403 1.00 0.00 C ATOM 1589 CD LYS A 97 -5.538 2.121 -13.057 1.00 0.00 C ATOM 1590 CE LYS A 97 -6.423 1.879 -14.269 1.00 0.00 C ATOM 1591 NZ LYS A 97 -7.630 2.751 -14.259 1.00 0.00 N ATOM 0 H LYS A 97 -1.245 3.921 -10.215 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.501 4.645 -11.634 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.253 2.701 -13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.270 1.715 -12.084 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.635 4.054 -13.300 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.072 2.853 -14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.181 1.167 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.123 2.588 -12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.851 2.062 -15.179 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.731 0.834 -14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.207 2.555 -15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.190 2.559 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.337 3.749 -14.264 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.173 3.724 -8.953 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.664 3.286 -7.652 1.00 0.00 C ATOM 1607 C GLU A 98 -5.176 3.460 -7.551 1.00 0.00 C ATOM 1608 O GLU A 98 -5.880 2.572 -7.068 1.00 0.00 O ATOM 1609 CB GLU A 98 -2.963 4.076 -6.546 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.228 5.571 -6.621 1.00 0.00 C ATOM 1611 CD GLU A 98 -2.481 6.351 -5.560 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -1.398 5.895 -5.139 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -2.978 7.422 -5.152 1.00 0.00 O ATOM 0 H GLU A 98 -2.497 4.487 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.441 2.226 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.293 3.703 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.889 3.900 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.940 5.938 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.297 5.752 -6.514 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.676 4.604 -8.015 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.105 4.855 -7.968 1.00 0.00 C ATOM 1622 C GLY A 99 -7.448 6.316 -7.741 1.00 0.00 C ATOM 1623 O GLY A 99 -7.280 7.147 -8.633 1.00 0.00 O ATOM 0 H GLY A 99 -5.120 5.357 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.557 4.523 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.546 4.257 -7.171 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.942 6.623 -6.546 1.00 0.00 N ATOM 1628 CA GLN A 100 -8.328 7.987 -6.195 1.00 0.00 C ATOM 1629 C GLN A 100 -7.113 8.860 -5.912 1.00 0.00 C ATOM 1630 O GLN A 100 -6.358 8.611 -4.974 1.00 0.00 O ATOM 1631 CB GLN A 100 -9.258 7.974 -4.979 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.698 8.330 -5.309 1.00 0.00 C ATOM 1633 CD GLN A 100 -11.320 7.377 -6.311 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -11.236 7.587 -7.521 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -11.952 6.322 -5.810 1.00 0.00 N ATOM 0 H GLN A 100 -8.085 5.942 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.853 8.413 -7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.233 6.984 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.880 8.676 -4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.289 8.324 -4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.736 9.344 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.997 6.187 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.392 5.647 -6.435 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.921 9.912 -6.723 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.805 10.846 -6.562 1.00 0.00 C ATOM 1646 C PRO A 101 -5.577 11.238 -5.105 1.00 0.00 C ATOM 1647 O PRO A 101 -6.522 11.335 -4.322 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.278 12.049 -7.370 1.00 0.00 C ATOM 1649 CG PRO A 101 -7.067 11.454 -8.477 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.786 10.285 -7.865 1.00 0.00 C ATOM 0 HA PRO A 101 -4.853 10.425 -6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.885 12.722 -6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.437 12.631 -7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.771 12.176 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.420 11.134 -9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.789 10.557 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.893 9.463 -8.573 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.315 11.456 -4.743 1.00 0.00 N ATOM 1659 CA GLY A 102 -3.987 11.828 -3.378 1.00 0.00 C ATOM 1660 C GLY A 102 -3.048 13.019 -3.305 1.00 0.00 C ATOM 1661 O GLY A 102 -2.601 13.530 -4.331 1.00 0.00 O ATOM 0 H GLY A 102 -3.514 11.382 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.905 12.061 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.528 10.977 -2.874 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.742 13.454 -2.084 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.843 14.587 -1.874 1.00 0.00 C ATOM 1667 C GLU A 103 -0.853 14.288 -0.749 1.00 0.00 C ATOM 1668 O GLU A 103 -1.157 13.530 0.170 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.644 15.850 -1.548 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.832 16.775 -2.738 1.00 0.00 C ATOM 1671 CD GLU A 103 -1.551 17.484 -3.133 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -0.806 17.911 -2.227 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -1.295 17.614 -4.349 1.00 0.00 O ATOM 0 H GLU A 103 -3.103 13.039 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.283 14.754 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.623 15.561 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.138 16.395 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.201 16.199 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.595 17.516 -2.500 1.00 0.00 H new ATOM 1680 N TRP A 104 0.335 14.888 -0.829 1.00 0.00 N ATOM 1681 CA TRP A 104 1.369 14.675 0.190 1.00 0.00 C ATOM 1682 C TRP A 104 0.856 15.088 1.567 1.00 0.00 C ATOM 1683 O TRP A 104 0.715 16.276 1.858 1.00 0.00 O ATOM 1684 CB TRP A 104 2.661 15.455 -0.141 1.00 0.00 C ATOM 1685 CG TRP A 104 2.534 16.414 -1.288 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.615 16.114 -2.619 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.306 17.824 -1.208 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.449 17.252 -3.369 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.258 18.316 -2.526 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.136 18.721 -0.149 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.049 19.663 -2.812 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 1.929 20.057 -0.433 1.00 0.00 C ATOM 1693 CH2 TRP A 104 1.885 20.517 -1.756 1.00 0.00 C ATOM 0 H TRP A 104 0.606 15.521 -1.582 1.00 0.00 H new ATOM 0 HA TRP A 104 1.605 13.611 0.198 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.973 16.008 0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.453 14.741 -0.367 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.785 15.126 -3.022 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.465 17.298 -4.388 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.166 18.375 0.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.018 20.020 -3.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.799 20.758 0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.718 21.567 -1.946 1.00 0.00 H new ATOM 1704 N MET A 105 0.574 14.097 2.410 1.00 0.00 N ATOM 1705 CA MET A 105 0.071 14.360 3.760 1.00 0.00 C ATOM 1706 C MET A 105 0.985 13.785 4.840 1.00 0.00 C ATOM 1707 O MET A 105 1.831 12.937 4.567 1.00 0.00 O ATOM 1708 CB MET A 105 -1.359 13.829 3.918 1.00 0.00 C ATOM 1709 CG MET A 105 -1.445 12.341 4.219 1.00 0.00 C ATOM 1710 SD MET A 105 -1.697 12.002 5.971 1.00 0.00 S ATOM 1711 CE MET A 105 -3.481 12.107 6.084 1.00 0.00 C ATOM 0 H MET A 105 0.684 13.108 2.185 1.00 0.00 H new ATOM 0 HA MET A 105 0.060 15.442 3.894 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.852 14.379 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.914 14.035 3.003 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.264 11.905 3.647 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.529 11.853 3.886 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.815 11.635 7.008 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.785 13.154 6.080 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.930 11.596 5.233 1.00 0.00 H new ATOM 1721 N SER A 106 0.803 14.258 6.072 1.00 0.00 N ATOM 1722 CA SER A 106 1.608 13.796 7.200 1.00 0.00 C ATOM 1723 C SER A 106 1.088 12.466 7.746 1.00 0.00 C ATOM 1724 O SER A 106 -0.020 12.386 8.275 1.00 0.00 O ATOM 1725 CB SER A 106 1.611 14.847 8.311 1.00 0.00 C ATOM 1726 OG SER A 106 2.070 14.297 9.534 1.00 0.00 O ATOM 0 H SER A 106 0.105 14.961 6.314 1.00 0.00 H new ATOM 0 HA SER A 106 2.627 13.643 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.248 15.683 8.023 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.604 15.244 8.443 1.00 0.00 H new ATOM 0 HG SER A 106 2.064 14.990 10.227 1.00 0.00 H new ATOM 1732 N LEU A 107 1.907 11.428 7.614 1.00 0.00 N ATOM 1733 CA LEU A 107 1.556 10.087 8.086 1.00 0.00 C ATOM 1734 C LEU A 107 1.541 10.007 9.614 1.00 0.00 C ATOM 1735 O LEU A 107 0.980 9.075 10.188 1.00 0.00 O ATOM 1736 CB LEU A 107 2.538 9.055 7.524 1.00 0.00 C ATOM 1737 CG LEU A 107 1.898 7.808 6.905 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.382 6.878 7.992 1.00 0.00 C ATOM 1739 CD2 LEU A 107 0.773 8.194 5.953 1.00 0.00 C ATOM 0 H LEU A 107 2.828 11.488 7.180 1.00 0.00 H new ATOM 0 HA LEU A 107 0.550 9.868 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.155 9.540 6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.206 8.740 8.326 1.00 0.00 H new ATOM 0 HG LEU A 107 2.662 7.281 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.931 5.998 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.210 6.570 8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.635 7.398 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.333 7.293 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.009 8.747 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.171 8.818 5.153 1.00 0.00 H new ATOM 1751 N VAL A 108 2.171 10.980 10.265 1.00 0.00 N ATOM 1752 CA VAL A 108 2.247 11.013 11.725 1.00 0.00 C ATOM 1753 C VAL A 108 0.896 10.725 12.380 1.00 0.00 C ATOM 1754 O VAL A 108 0.838 10.336 13.546 1.00 0.00 O ATOM 1755 CB VAL A 108 2.761 12.378 12.224 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.978 12.352 13.731 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.044 12.766 11.499 1.00 0.00 C ATOM 0 H VAL A 108 2.639 11.760 9.804 1.00 0.00 H new ATOM 0 HA VAL A 108 2.947 10.229 12.011 1.00 0.00 H new ATOM 0 HB VAL A 108 2.004 13.131 12.003 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.341 13.325 14.063 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.036 12.126 14.230 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.713 11.586 13.980 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.391 13.732 11.865 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.809 12.012 11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.851 12.832 10.428 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.185 10.916 11.631 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.507 10.668 12.177 1.00 0.00 C ATOM 1769 C GLY A 109 -2.447 10.003 11.188 1.00 0.00 C ATOM 1770 O GLY A 109 -3.563 10.473 10.972 1.00 0.00 O ATOM 0 H GLY A 109 -0.171 11.236 10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.415 10.038 13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.942 11.613 12.503 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.999 8.901 10.595 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.816 8.165 9.633 1.00 0.00 C ATOM 1776 C LEU A 110 -4.078 7.631 10.308 1.00 0.00 C ATOM 1777 O LEU A 110 -4.079 7.367 11.511 1.00 0.00 O ATOM 1778 CB LEU A 110 -2.017 7.011 9.026 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.747 6.221 7.939 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.750 5.503 7.042 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.723 5.232 8.560 1.00 0.00 C ATOM 0 H LEU A 110 -1.077 8.498 10.762 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.106 8.847 8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.093 7.410 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.734 6.325 9.825 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.316 6.921 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.287 4.946 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.095 6.234 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.153 4.814 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.233 4.679 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.179 4.535 9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.458 5.772 9.157 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.158 7.496 9.541 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.422 7.020 10.094 1.00 0.00 C ATOM 1795 C ASN A 111 -6.897 5.724 9.446 1.00 0.00 C ATOM 1796 O ASN A 111 -7.266 5.700 8.271 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.493 8.102 9.944 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.976 8.630 11.281 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.350 8.399 12.316 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -9.096 9.344 11.267 1.00 0.00 N ATOM 0 H ASN A 111 -5.183 7.708 8.544 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.252 6.805 11.149 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.092 8.927 9.355 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.339 7.697 9.390 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -9.469 9.725 12.137 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.583 9.511 10.387 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.912 4.651 10.235 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.373 3.353 9.758 1.00 0.00 C ATOM 1809 C ALA A 112 -8.892 3.354 9.587 1.00 0.00 C ATOM 1810 O ALA A 112 -9.453 2.504 8.899 1.00 0.00 O ATOM 1811 CB ALA A 112 -6.954 2.247 10.715 1.00 0.00 C ATOM 0 H ALA A 112 -6.609 4.657 11.209 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.911 3.165 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.309 1.287 10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.867 2.227 10.794 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.386 2.434 11.698 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.557 4.314 10.225 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.007 4.425 10.137 1.00 0.00 C ATOM 1819 C ASP A 113 -11.410 5.077 8.818 1.00 0.00 C ATOM 1820 O ASP A 113 -12.436 4.736 8.232 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.584 5.227 11.318 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.529 5.888 12.188 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.563 6.446 11.629 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.674 5.848 13.428 1.00 0.00 O ATOM 0 H ASP A 113 -9.114 5.024 10.807 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.419 3.417 10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.254 5.994 10.930 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.186 4.561 11.937 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.590 6.020 8.359 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.856 6.724 7.111 1.00 0.00 C ATOM 1831 C ASP A 114 -10.386 5.914 5.905 1.00 0.00 C ATOM 1832 O ASP A 114 -10.791 6.181 4.774 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.178 8.093 7.118 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.172 9.231 6.996 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.499 9.614 5.854 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.625 9.739 8.044 1.00 0.00 O ATOM 0 H ASP A 114 -9.736 6.313 8.834 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.934 6.860 7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.609 8.209 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.466 8.147 6.295 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.533 4.921 6.146 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.025 4.082 5.066 1.00 0.00 C ATOM 1843 C PHE A 115 -9.790 2.756 5.020 1.00 0.00 C ATOM 1844 O PHE A 115 -10.494 2.410 5.969 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.499 3.897 5.215 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.031 2.612 5.847 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.746 2.011 6.863 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.844 2.023 5.434 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.294 0.850 7.459 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.389 0.861 6.020 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.113 0.276 7.034 1.00 0.00 C ATOM 0 H PHE A 115 -9.182 4.680 7.073 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.192 4.570 4.106 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.049 3.973 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.112 4.727 5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.672 2.455 7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.269 2.481 4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.863 0.393 8.255 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.467 0.411 5.684 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.757 -0.632 7.497 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.688 2.005 3.911 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.400 0.732 3.756 1.00 0.00 C ATOM 1863 C PRO A 116 -10.112 -0.241 4.897 1.00 0.00 C ATOM 1864 O PRO A 116 -8.965 -0.408 5.308 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.875 0.173 2.425 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.666 0.984 2.105 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.899 2.333 2.718 1.00 0.00 C ATOM 0 HA PRO A 116 -11.481 0.874 3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.627 -0.885 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.625 0.259 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.767 0.521 2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.524 1.064 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.963 2.830 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.439 2.998 2.044 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.162 -0.898 5.430 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.018 -1.857 6.531 1.00 0.00 C ATOM 1877 C PRO A 117 -10.279 -3.124 6.113 1.00 0.00 C ATOM 1878 O PRO A 117 -9.839 -3.903 6.958 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.465 -2.185 6.912 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.252 -1.910 5.680 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.567 -0.758 5.001 1.00 0.00 C ATOM 0 HA PRO A 117 -10.429 -1.444 7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.567 -3.225 7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.805 -1.569 7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.280 -2.785 5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.285 -1.661 5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.664 -0.815 3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.988 0.199 5.309 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.147 -3.328 4.806 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.462 -4.503 4.283 1.00 0.00 C ATOM 1891 C ALA A 118 -8.002 -4.523 4.704 1.00 0.00 C ATOM 1892 O ALA A 118 -7.388 -5.586 4.802 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.579 -4.554 2.768 1.00 0.00 C ATOM 0 H ALA A 118 -10.505 -2.695 4.091 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.943 -5.387 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.062 -5.437 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.631 -4.602 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.128 -3.660 2.338 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.449 -3.346 4.947 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.059 -3.224 5.351 1.00 0.00 C ATOM 1901 C ASN A 119 -5.940 -2.806 6.817 1.00 0.00 C ATOM 1902 O ASN A 119 -4.835 -2.658 7.342 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.366 -2.208 4.451 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.330 -2.844 3.547 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.345 -3.503 4.146 1.00 0.00 O flip ATOM 1906 ND2 ASN A 119 -4.415 -2.746 2.323 1.00 0.00 N flip ATOM 0 H ASN A 119 -7.945 -2.458 4.871 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.577 -4.196 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.112 -1.699 3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.887 -1.448 5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -5.189 -2.230 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.711 -3.181 1.726 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.084 -2.615 7.476 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.113 -2.212 8.879 1.00 0.00 C ATOM 1915 C GLU A 120 -6.296 -3.150 9.774 1.00 0.00 C ATOM 1916 O GLU A 120 -5.700 -2.703 10.747 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.557 -2.150 9.383 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.899 -0.852 10.094 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.777 -1.070 11.311 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.429 -2.132 11.389 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.813 -0.179 12.184 1.00 0.00 O ATOM 0 H GLU A 120 -8.006 -2.734 7.056 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.658 -1.223 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.233 -2.281 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.731 -2.984 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.978 -0.355 10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.407 -0.184 9.399 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.268 -4.465 9.490 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.532 -5.427 10.317 1.00 0.00 C ATOM 1930 C PRO A 121 -4.137 -4.964 10.731 1.00 0.00 C ATOM 1931 O PRO A 121 -3.785 -5.030 11.909 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.414 -6.630 9.393 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.671 -6.597 8.599 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.973 -5.140 8.374 1.00 0.00 C ATOM 0 HA PRO A 121 -6.046 -5.604 11.262 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.535 -6.557 8.753 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.322 -7.559 9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.550 -7.122 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.485 -7.087 9.133 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.609 -4.800 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.045 -4.944 8.399 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.341 -4.504 9.772 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.985 -4.048 10.068 1.00 0.00 C ATOM 1944 C VAL A 122 -1.982 -2.644 10.659 1.00 0.00 C ATOM 1945 O VAL A 122 -1.411 -2.407 11.722 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.081 -4.053 8.808 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.212 -4.806 9.078 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.799 -4.637 7.597 1.00 0.00 C ATOM 0 H VAL A 122 -3.607 -4.437 8.790 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.586 -4.753 10.797 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.840 -3.016 8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.832 -4.798 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.749 -4.325 9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.017 -5.836 9.351 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.131 -4.622 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.094 -5.665 7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.686 -4.043 7.378 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.615 -1.714 9.951 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.682 -0.326 10.387 1.00 0.00 C ATOM 1960 C ILE A 123 -3.376 -0.203 11.735 1.00 0.00 C ATOM 1961 O ILE A 123 -3.087 0.699 12.503 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.406 0.553 9.346 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.561 0.664 8.071 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.697 1.936 9.915 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.782 1.961 7.966 1.00 0.00 C ATOM 0 H ILE A 123 -3.091 -1.899 9.068 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.656 0.027 10.490 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.357 0.082 9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.863 -0.172 8.034 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.215 0.572 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.208 2.538 9.164 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.331 1.841 10.796 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.760 2.420 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.209 1.967 7.039 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.475 2.803 7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.102 2.047 8.814 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.279 -1.124 12.016 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.993 -1.113 13.286 1.00 0.00 C ATOM 1979 C ALA A 124 -3.994 -1.136 14.436 1.00 0.00 C ATOM 1980 O ALA A 124 -4.076 -0.337 15.369 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.946 -2.295 13.383 1.00 0.00 C ATOM 0 H ALA A 124 -4.537 -1.886 11.389 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.586 -0.200 13.347 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.467 -2.265 14.340 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.673 -2.244 12.572 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.382 -3.224 13.307 1.00 0.00 H new ATOM 1987 N LYS A 125 -3.073 -2.090 14.370 1.00 0.00 N ATOM 1988 CA LYS A 125 -2.073 -2.265 15.417 1.00 0.00 C ATOM 1989 C LYS A 125 -1.308 -0.972 15.675 1.00 0.00 C ATOM 1990 O LYS A 125 -1.147 -0.560 16.824 1.00 0.00 O ATOM 1991 CB LYS A 125 -1.096 -3.380 15.036 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.518 -4.116 16.233 1.00 0.00 C ATOM 1993 CD LYS A 125 0.933 -4.506 16.000 1.00 0.00 C ATOM 1994 CE LYS A 125 1.767 -4.327 17.259 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.074 -2.893 17.523 1.00 0.00 N ATOM 0 H LYS A 125 -2.998 -2.756 13.601 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.595 -2.540 16.333 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.607 -4.096 14.392 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.280 -2.953 14.453 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.588 -3.484 17.118 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.109 -5.010 16.432 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.984 -5.545 15.673 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.350 -3.898 15.197 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.232 -4.747 18.111 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.698 -4.885 17.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.672 -2.816 18.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.577 -2.490 16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.188 -2.371 17.677 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.837 -0.335 14.614 1.00 0.00 N ATOM 2010 CA LEU A 126 -0.087 0.914 14.744 1.00 0.00 C ATOM 2011 C LEU A 126 -1.030 2.089 14.985 1.00 0.00 C ATOM 2012 O LEU A 126 -0.818 2.898 15.885 1.00 0.00 O ATOM 2013 CB LEU A 126 0.754 1.163 13.489 1.00 0.00 C ATOM 2014 CG LEU A 126 2.227 1.478 13.750 1.00 0.00 C ATOM 2015 CD1 LEU A 126 2.361 2.641 14.720 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.946 0.249 14.288 1.00 0.00 C ATOM 0 H LEU A 126 -0.958 -0.658 13.654 1.00 0.00 H new ATOM 0 HA LEU A 126 0.578 0.824 15.603 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.694 0.282 12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.314 1.991 12.933 1.00 0.00 H new ATOM 0 HG LEU A 126 2.691 1.764 12.806 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.417 2.850 14.893 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.880 3.524 14.298 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.882 2.384 15.665 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.994 0.490 14.468 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.480 -0.065 15.222 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.880 -0.559 13.559 1.00 0.00 H new ATOM 2028 N LYS A 127 -2.056 2.182 14.149 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.039 3.259 14.227 1.00 0.00 C ATOM 2030 C LYS A 127 -3.577 3.402 15.637 1.00 0.00 C ATOM 2031 O LYS A 127 -3.803 4.511 16.119 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.196 2.982 13.279 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.352 3.962 13.416 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.693 3.247 13.504 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.346 3.451 14.863 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.951 4.805 14.990 1.00 0.00 N ATOM 0 H LYS A 127 -2.232 1.515 13.398 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.542 4.186 13.942 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.828 3.010 12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.565 1.972 13.457 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.207 4.573 14.307 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.357 4.640 12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.356 3.617 12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.551 2.181 13.324 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.116 2.694 15.013 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -6.603 3.310 15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.234 4.968 15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.255 5.524 14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.787 4.871 14.375 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.759 2.274 16.304 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.245 2.284 17.672 1.00 0.00 C ATOM 2052 C ARG A 128 -3.226 2.980 18.570 1.00 0.00 C ATOM 2053 O ARG A 128 -3.500 3.271 19.735 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.501 0.853 18.150 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.698 0.727 19.653 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.926 -0.719 20.065 1.00 0.00 C ATOM 2057 NE ARG A 128 -6.302 -1.147 19.825 1.00 0.00 N ATOM 2058 CZ ARG A 128 -7.324 -0.834 20.618 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -7.131 -0.090 21.700 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -8.544 -1.264 20.327 1.00 0.00 N ATOM 0 H ARG A 128 -3.579 1.345 15.922 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.186 2.832 17.719 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.385 0.465 17.645 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.662 0.225 17.850 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.823 1.120 20.170 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.550 1.333 19.962 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.244 -1.365 19.512 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.689 -0.836 21.123 1.00 0.00 H new ATOM 0 HE ARG A 128 -6.490 -1.719 19.002 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -6.195 0.245 21.928 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -7.919 0.146 22.304 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -8.699 -1.834 19.496 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -9.328 -1.024 20.934 1.00 0.00 H new ATOM 2074 N LEU A 129 -2.045 3.252 18.007 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.972 3.922 18.738 1.00 0.00 C ATOM 2076 C LEU A 129 -0.799 3.334 20.137 1.00 0.00 C ATOM 2077 O LEU A 129 0.215 3.564 20.796 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.255 5.424 18.833 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.807 6.067 17.554 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.225 6.568 17.778 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.907 7.206 17.089 1.00 0.00 C ATOM 0 H LEU A 129 -1.810 3.016 17.043 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.044 3.764 18.188 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.966 5.593 19.642 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.332 5.935 19.108 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.827 5.307 16.773 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.600 7.021 16.860 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.866 5.732 18.059 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.227 7.310 18.576 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.318 7.647 16.181 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.850 7.966 17.868 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.092 6.820 16.885 1.00 0.00 H new