USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 945 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 Single : A 5 GLN : amide:sc= -2.46 K(o=-2.5,f=-4.2!) USER MOD Single : A 13 ASN : amide:sc= -9.11! C(o=-9.1!,f=-9.4!) USER MOD Single : A 15 ASN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 16 ASN : amide:sc= -4.79! C(o=-4.8!,f=-6.5!) USER MOD Single : A 21 THR OG1 : rot 59:sc= -3.95! USER MOD Single : A 31 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 48 GLN : amide:sc= -3.03! C(o=-3!,f=-11!) USER MOD Single : A 55 GLN :FLIP amide:sc= -3.05! C(o=-3.7!,f=-3.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -2.99! USER MOD Single : A 63 GLN : amide:sc= -3.66! C(o=-3.7!,f=-3.3!) USER MOD Single : A 64 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 66 SER OG : rot -19:sc= 0.773 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0927) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.298 F(o=-0.99,f=-0.3) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 105 MET CE :methyl -133:sc= -0.0479 (180deg=-2.52!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 119 ASN : amide:sc= -9.29! C(o=-9.3!,f=-13!) USER MOD Single : A 125 LYS NZ :NH3+ 158:sc= -0.0502 (180deg=-0.384) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 13.596 8.796 5.270 1.00 0.00 N ATOM 65 CA LEU A 4 12.674 7.764 5.825 1.00 0.00 C ATOM 66 C LEU A 4 11.736 7.270 4.717 1.00 0.00 C ATOM 67 O LEU A 4 11.003 8.038 4.125 1.00 0.00 O ATOM 68 CB LEU A 4 11.849 8.378 6.961 1.00 0.00 C ATOM 69 CG LEU A 4 10.882 9.414 6.387 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.494 8.790 6.241 1.00 0.00 C ATOM 71 CD2 LEU A 4 10.802 10.616 7.332 1.00 0.00 C ATOM 0 HA LEU A 4 13.253 6.925 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.295 7.599 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.509 8.846 7.692 1.00 0.00 H new ATOM 0 HG LEU A 4 11.239 9.741 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.804 9.528 5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.549 7.933 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.138 8.463 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.113 11.355 6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.445 10.288 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.791 11.062 7.438 1.00 0.00 H new ATOM 83 N GLN A 5 11.758 5.996 4.427 1.00 0.00 N ATOM 84 CA GLN A 5 10.871 5.458 3.353 1.00 0.00 C ATOM 85 C GLN A 5 10.163 4.194 3.848 1.00 0.00 C ATOM 86 O GLN A 5 10.677 3.467 4.675 1.00 0.00 O ATOM 87 CB GLN A 5 11.717 5.118 2.125 1.00 0.00 C ATOM 88 CG GLN A 5 12.468 6.368 1.667 1.00 0.00 C ATOM 89 CD GLN A 5 13.508 5.983 0.614 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.483 6.482 -0.494 1.00 0.00 O ATOM 91 NE2 GLN A 5 14.432 5.111 0.916 1.00 0.00 N ATOM 0 H GLN A 5 12.351 5.305 4.887 1.00 0.00 H new ATOM 0 HA GLN A 5 10.124 6.208 3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.423 4.323 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.080 4.748 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.768 7.094 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.956 6.844 2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.453 4.692 1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.132 4.849 0.222 1.00 0.00 H new ATOM 100 N ILE A 6 8.986 3.929 3.348 1.00 0.00 N ATOM 101 CA ILE A 6 8.242 2.720 3.783 1.00 0.00 C ATOM 102 C ILE A 6 7.943 1.839 2.567 1.00 0.00 C ATOM 103 O ILE A 6 8.085 2.259 1.437 1.00 0.00 O ATOM 104 CB ILE A 6 6.930 3.155 4.436 1.00 0.00 C ATOM 105 CG1 ILE A 6 7.218 3.725 5.826 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.998 1.954 4.559 1.00 0.00 C ATOM 107 CD1 ILE A 6 5.899 3.940 6.571 1.00 0.00 C ATOM 0 H ILE A 6 8.508 4.503 2.653 1.00 0.00 H new ATOM 0 HA ILE A 6 8.840 2.154 4.497 1.00 0.00 H new ATOM 0 HB ILE A 6 6.454 3.919 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.857 3.042 6.386 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.757 4.668 5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.063 2.265 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.793 1.550 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.471 1.187 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.103 4.346 7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.276 4.639 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.377 2.988 6.669 1.00 0.00 H new ATOM 119 N ALA A 7 7.526 0.623 2.788 1.00 0.00 N ATOM 120 CA ALA A 7 7.215 -0.279 1.642 1.00 0.00 C ATOM 121 C ALA A 7 5.864 -0.958 1.877 1.00 0.00 C ATOM 122 O ALA A 7 5.741 -1.855 2.687 1.00 0.00 O ATOM 123 CB ALA A 7 8.302 -1.347 1.517 1.00 0.00 C ATOM 0 H ALA A 7 7.387 0.214 3.712 1.00 0.00 H new ATOM 0 HA ALA A 7 7.175 0.308 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.072 -2.004 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.266 -0.867 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.345 -1.932 2.436 1.00 0.00 H new ATOM 129 N VAL A 8 4.849 -0.541 1.170 1.00 0.00 N ATOM 130 CA VAL A 8 3.507 -1.169 1.351 1.00 0.00 C ATOM 131 C VAL A 8 3.021 -1.734 0.027 1.00 0.00 C ATOM 132 O VAL A 8 2.253 -1.114 -0.681 1.00 0.00 O ATOM 133 CB VAL A 8 2.498 -0.128 1.822 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.391 0.992 0.785 1.00 0.00 C ATOM 135 CG2 VAL A 8 1.138 -0.806 1.966 1.00 0.00 C ATOM 0 H VAL A 8 4.890 0.206 0.476 1.00 0.00 H new ATOM 0 HA VAL A 8 3.597 -1.963 2.093 1.00 0.00 H new ATOM 0 HB VAL A 8 2.817 0.294 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.669 1.735 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.365 1.465 0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.063 0.576 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.402 -0.076 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.831 -1.214 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.209 -1.613 2.695 1.00 0.00 H new ATOM 145 N GLY A 9 3.433 -2.915 -0.304 1.00 0.00 N ATOM 146 CA GLY A 9 2.956 -3.517 -1.570 1.00 0.00 C ATOM 147 C GLY A 9 1.475 -3.827 -1.400 1.00 0.00 C ATOM 148 O GLY A 9 1.092 -4.611 -0.556 1.00 0.00 O ATOM 0 H GLY A 9 4.076 -3.489 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.111 -2.831 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.514 -4.425 -1.797 1.00 0.00 H new ATOM 152 N ILE A 10 0.632 -3.211 -2.176 1.00 0.00 N ATOM 153 CA ILE A 10 -0.814 -3.471 -2.027 1.00 0.00 C ATOM 154 C ILE A 10 -1.109 -4.823 -2.663 1.00 0.00 C ATOM 155 O ILE A 10 -0.199 -5.557 -2.993 1.00 0.00 O ATOM 156 CB ILE A 10 -1.595 -2.352 -2.711 1.00 0.00 C ATOM 157 CG1 ILE A 10 -0.828 -1.033 -2.537 1.00 0.00 C ATOM 158 CG2 ILE A 10 -2.979 -2.228 -2.076 1.00 0.00 C ATOM 159 CD1 ILE A 10 -0.300 -0.555 -3.891 1.00 0.00 C ATOM 0 H ILE A 10 0.885 -2.542 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.111 -3.494 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.709 -2.577 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.482 -0.276 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.000 -1.173 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.534 -1.428 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.518 -3.168 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.874 -1.999 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.243 0.381 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.370 -1.308 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.136 -0.397 -4.572 1.00 0.00 H new ATOM 171 N ILE A 11 -2.343 -5.205 -2.792 1.00 0.00 N ATOM 172 CA ILE A 11 -2.597 -6.562 -3.353 1.00 0.00 C ATOM 173 C ILE A 11 -3.860 -6.581 -4.216 1.00 0.00 C ATOM 174 O ILE A 11 -4.806 -5.854 -3.988 1.00 0.00 O ATOM 175 CB ILE A 11 -2.746 -7.557 -2.188 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.421 -6.854 -0.867 1.00 0.00 C ATOM 177 CG2 ILE A 11 -1.782 -8.738 -2.363 1.00 0.00 C ATOM 178 CD1 ILE A 11 -2.348 -7.879 0.253 1.00 0.00 C ATOM 0 H ILE A 11 -3.168 -4.659 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.757 -6.843 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.772 -7.925 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.473 -6.323 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.185 -6.109 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.901 -9.431 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.003 -9.253 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.756 -8.370 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.117 -7.376 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.307 -8.390 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.568 -8.607 0.030 1.00 0.00 H new ATOM 190 N ARG A 12 -3.865 -7.435 -5.203 1.00 0.00 N ATOM 191 CA ARG A 12 -5.038 -7.568 -6.113 1.00 0.00 C ATOM 192 C ARG A 12 -5.110 -9.025 -6.578 1.00 0.00 C ATOM 193 O ARG A 12 -4.132 -9.581 -7.037 1.00 0.00 O ATOM 194 CB ARG A 12 -4.856 -6.647 -7.321 1.00 0.00 C ATOM 195 CG ARG A 12 -6.067 -6.773 -8.246 1.00 0.00 C ATOM 196 CD ARG A 12 -6.135 -5.560 -9.175 1.00 0.00 C ATOM 197 NE ARG A 12 -5.559 -5.915 -10.503 1.00 0.00 N ATOM 198 CZ ARG A 12 -5.792 -5.157 -11.538 1.00 0.00 C ATOM 199 NH1 ARG A 12 -5.551 -3.875 -11.478 1.00 0.00 N ATOM 200 NH2 ARG A 12 -6.268 -5.679 -12.637 1.00 0.00 N ATOM 0 H ARG A 12 -3.088 -8.059 -5.421 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.957 -7.290 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.743 -5.614 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.945 -6.911 -7.859 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.995 -7.689 -8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.981 -6.843 -7.657 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.169 -5.235 -9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.586 -4.725 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.983 -6.751 -10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.180 -3.465 -10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.734 -3.283 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.458 -6.680 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.450 -5.085 -13.446 1.00 0.00 H new ATOM 214 N ASN A 13 -6.243 -9.663 -6.447 1.00 0.00 N ATOM 215 CA ASN A 13 -6.332 -11.094 -6.862 1.00 0.00 C ATOM 216 C ASN A 13 -6.933 -11.215 -8.259 1.00 0.00 C ATOM 217 O ASN A 13 -6.955 -10.275 -9.030 1.00 0.00 O ATOM 218 CB ASN A 13 -7.214 -11.862 -5.878 1.00 0.00 C ATOM 219 CG ASN A 13 -6.394 -12.967 -5.206 1.00 0.00 C ATOM 220 OD1 ASN A 13 -5.506 -13.535 -5.812 1.00 0.00 O ATOM 221 ND2 ASN A 13 -6.657 -13.301 -3.971 1.00 0.00 N ATOM 0 H ASN A 13 -7.103 -9.260 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.325 -11.511 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.613 -11.182 -5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.067 -12.295 -6.400 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.118 -14.038 -3.516 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.402 -12.825 -3.462 1.00 0.00 H new ATOM 228 N GLU A 14 -7.421 -12.380 -8.582 1.00 0.00 N ATOM 229 CA GLU A 14 -8.032 -12.602 -9.922 1.00 0.00 C ATOM 230 C GLU A 14 -9.527 -12.322 -9.848 1.00 0.00 C ATOM 231 O GLU A 14 -10.217 -12.302 -10.847 1.00 0.00 O ATOM 232 CB GLU A 14 -7.799 -14.044 -10.350 1.00 0.00 C ATOM 233 CG GLU A 14 -8.540 -14.322 -11.659 1.00 0.00 C ATOM 234 CD GLU A 14 -8.147 -15.706 -12.179 1.00 0.00 C ATOM 235 OE1 GLU A 14 -7.409 -16.389 -11.489 1.00 0.00 O ATOM 236 OE2 GLU A 14 -8.592 -16.059 -13.260 1.00 0.00 O ATOM 0 H GLU A 14 -7.423 -13.195 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.575 -11.931 -10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.732 -14.227 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.147 -14.724 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.617 -14.274 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.294 -13.560 -12.398 1.00 0.00 H new ATOM 243 N ASN A 15 -10.028 -12.073 -8.672 1.00 0.00 N ATOM 244 CA ASN A 15 -11.470 -11.758 -8.539 1.00 0.00 C ATOM 245 C ASN A 15 -11.650 -10.260 -8.791 1.00 0.00 C ATOM 246 O ASN A 15 -12.683 -9.686 -8.505 1.00 0.00 O ATOM 247 CB ASN A 15 -11.947 -12.118 -7.131 1.00 0.00 C ATOM 248 CG ASN A 15 -13.450 -12.404 -7.155 1.00 0.00 C ATOM 249 OD1 ASN A 15 -14.234 -11.641 -6.628 1.00 0.00 O ATOM 250 ND2 ASN A 15 -13.887 -13.481 -7.749 1.00 0.00 N ATOM 0 H ASN A 15 -9.499 -12.075 -7.800 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.056 -12.331 -9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.406 -12.991 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.733 -11.300 -6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.887 -13.682 -7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.229 -14.122 -8.192 1.00 0.00 H new ATOM 257 N ASN A 16 -10.643 -9.627 -9.341 1.00 0.00 N ATOM 258 CA ASN A 16 -10.736 -8.174 -9.633 1.00 0.00 C ATOM 259 C ASN A 16 -11.020 -7.399 -8.341 1.00 0.00 C ATOM 260 O ASN A 16 -11.890 -6.554 -8.286 1.00 0.00 O ATOM 261 CB ASN A 16 -11.856 -7.957 -10.650 1.00 0.00 C ATOM 262 CG ASN A 16 -12.133 -6.463 -10.824 1.00 0.00 C ATOM 263 OD1 ASN A 16 -11.372 -5.763 -11.464 1.00 0.00 O ATOM 264 ND2 ASN A 16 -13.198 -5.941 -10.282 1.00 0.00 N ATOM 0 H ASN A 16 -9.758 -10.062 -9.600 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.795 -7.810 -10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.577 -8.396 -11.608 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.761 -8.465 -10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.392 -4.946 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.837 -6.528 -9.745 1.00 0.00 H new ATOM 271 N GLU A 17 -10.280 -7.678 -7.302 1.00 0.00 N ATOM 272 CA GLU A 17 -10.493 -6.952 -6.016 1.00 0.00 C ATOM 273 C GLU A 17 -9.136 -6.574 -5.420 1.00 0.00 C ATOM 274 O GLU A 17 -8.100 -6.991 -5.898 1.00 0.00 O ATOM 275 CB GLU A 17 -11.245 -7.844 -5.022 1.00 0.00 C ATOM 276 CG GLU A 17 -11.023 -9.315 -5.372 1.00 0.00 C ATOM 277 CD GLU A 17 -11.817 -10.196 -4.404 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.833 -9.733 -3.911 1.00 0.00 O ATOM 279 OE2 GLU A 17 -11.396 -11.317 -4.173 1.00 0.00 O ATOM 0 H GLU A 17 -9.537 -8.377 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.082 -6.055 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.898 -7.646 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.310 -7.612 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.338 -9.507 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.962 -9.557 -5.314 1.00 0.00 H new ATOM 286 N ILE A 18 -9.132 -5.792 -4.378 1.00 0.00 N ATOM 287 CA ILE A 18 -7.836 -5.398 -3.754 1.00 0.00 C ATOM 288 C ILE A 18 -7.859 -5.752 -2.269 1.00 0.00 C ATOM 289 O ILE A 18 -8.902 -5.878 -1.665 1.00 0.00 O ATOM 290 CB ILE A 18 -7.614 -3.888 -3.900 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.338 -3.376 -5.147 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.114 -3.595 -4.023 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.184 -1.855 -5.239 1.00 0.00 C ATOM 0 H ILE A 18 -9.965 -5.409 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.029 -5.932 -4.255 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.011 -3.383 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.927 -3.848 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.394 -3.643 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.960 -2.521 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.599 -3.951 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.714 -4.105 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.700 -1.490 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.616 -1.391 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.126 -1.600 -5.303 1.00 0.00 H new ATOM 305 N PHE A 19 -6.714 -5.899 -1.677 1.00 0.00 N ATOM 306 CA PHE A 19 -6.659 -6.226 -0.228 1.00 0.00 C ATOM 307 C PHE A 19 -6.204 -4.973 0.516 1.00 0.00 C ATOM 308 O PHE A 19 -5.037 -4.793 0.798 1.00 0.00 O ATOM 309 CB PHE A 19 -5.661 -7.365 -0.008 1.00 0.00 C ATOM 310 CG PHE A 19 -5.365 -7.525 1.464 1.00 0.00 C ATOM 311 CD1 PHE A 19 -6.185 -8.332 2.261 1.00 0.00 C ATOM 312 CD2 PHE A 19 -4.261 -6.877 2.028 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.899 -8.489 3.621 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.973 -7.037 3.385 1.00 0.00 C ATOM 315 CZ PHE A 19 -4.791 -7.842 4.183 1.00 0.00 C ATOM 0 H PHE A 19 -5.807 -5.807 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.635 -6.543 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.066 -8.295 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.739 -7.159 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.037 -8.833 1.826 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.630 -6.252 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.532 -9.109 4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.118 -6.539 3.818 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.569 -7.965 5.233 1.00 0.00 H new ATOM 325 N ILE A 20 -7.111 -4.080 0.806 1.00 0.00 N ATOM 326 CA ILE A 20 -6.724 -2.829 1.492 1.00 0.00 C ATOM 327 C ILE A 20 -6.556 -3.079 2.983 1.00 0.00 C ATOM 328 O ILE A 20 -6.620 -4.195 3.456 1.00 0.00 O ATOM 329 CB ILE A 20 -7.824 -1.782 1.253 1.00 0.00 C ATOM 330 CG1 ILE A 20 -7.303 -0.354 1.434 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.987 -2.007 2.223 1.00 0.00 C ATOM 332 CD1 ILE A 20 -5.822 -0.266 1.060 1.00 0.00 C ATOM 0 H ILE A 20 -8.105 -4.169 0.594 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.774 -2.468 1.097 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.160 -1.901 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.881 0.331 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.441 -0.040 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.760 -1.259 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.403 -3.003 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.628 -1.919 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.473 0.757 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.245 -0.934 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.692 -0.558 0.018 1.00 0.00 H new ATOM 344 N THR A 21 -6.341 -2.035 3.718 1.00 0.00 N ATOM 345 CA THR A 21 -6.166 -2.178 5.186 1.00 0.00 C ATOM 346 C THR A 21 -7.064 -1.175 5.916 1.00 0.00 C ATOM 347 O THR A 21 -7.251 -0.059 5.472 1.00 0.00 O ATOM 348 CB THR A 21 -4.709 -1.907 5.554 1.00 0.00 C ATOM 349 OG1 THR A 21 -3.972 -1.618 4.376 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.117 -3.138 6.243 1.00 0.00 C ATOM 0 H THR A 21 -6.278 -1.080 3.366 1.00 0.00 H new ATOM 0 HA THR A 21 -6.439 -3.191 5.481 1.00 0.00 H new ATOM 0 HB THR A 21 -4.657 -1.056 6.233 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.359 -0.835 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.077 -2.943 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.684 -3.357 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.167 -3.992 5.568 1.00 0.00 H new ATOM 358 N ARG A 22 -7.623 -1.563 7.030 1.00 0.00 N ATOM 359 CA ARG A 22 -8.505 -0.639 7.783 1.00 0.00 C ATOM 360 C ARG A 22 -8.293 -0.826 9.287 1.00 0.00 C ATOM 361 O ARG A 22 -7.765 -1.825 9.731 1.00 0.00 O ATOM 362 CB ARG A 22 -9.957 -0.944 7.437 1.00 0.00 C ATOM 363 CG ARG A 22 -10.630 0.349 7.005 1.00 0.00 C ATOM 364 CD ARG A 22 -12.007 0.050 6.409 1.00 0.00 C ATOM 365 NE ARG A 22 -11.844 -0.501 5.034 1.00 0.00 N ATOM 366 CZ ARG A 22 -12.849 -1.086 4.441 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.054 -0.965 4.929 1.00 0.00 N ATOM 368 NH2 ARG A 22 -12.651 -1.790 3.361 1.00 0.00 N ATOM 0 H ARG A 22 -7.504 -2.485 7.449 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.266 0.390 7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.009 -1.684 6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.471 -1.369 8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.732 1.018 7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.011 0.863 6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.540 -0.664 7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.607 0.959 6.379 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.947 -0.421 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.209 -0.414 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.840 -1.422 4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.710 -1.884 2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.437 -2.247 2.899 1.00 0.00 H new ATOM 492 N ASN A 31 -14.787 8.197 6.710 1.00 0.00 N ATOM 493 CA ASN A 31 -13.722 7.493 7.484 1.00 0.00 C ATOM 494 C ASN A 31 -12.389 7.603 6.739 1.00 0.00 C ATOM 495 O ASN A 31 -12.228 8.420 5.854 1.00 0.00 O ATOM 496 CB ASN A 31 -14.097 6.019 7.652 1.00 0.00 C ATOM 497 CG ASN A 31 -14.214 5.691 9.142 1.00 0.00 C ATOM 498 OD1 ASN A 31 -13.599 4.760 9.623 1.00 0.00 O ATOM 499 ND2 ASN A 31 -14.984 6.424 9.900 1.00 0.00 N ATOM 0 HA ASN A 31 -13.626 7.954 8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.041 5.813 7.148 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.342 5.385 7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.069 6.215 10.895 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.501 7.206 9.497 1.00 0.00 H new ATOM 506 N LYS A 32 -11.430 6.791 7.092 1.00 0.00 N ATOM 507 CA LYS A 32 -10.109 6.858 6.404 1.00 0.00 C ATOM 508 C LYS A 32 -9.561 5.443 6.189 1.00 0.00 C ATOM 509 O LYS A 32 -9.665 4.587 7.046 1.00 0.00 O ATOM 510 CB LYS A 32 -9.129 7.660 7.263 1.00 0.00 C ATOM 511 CG LYS A 32 -8.823 6.888 8.548 1.00 0.00 C ATOM 512 CD LYS A 32 -7.466 6.194 8.414 1.00 0.00 C ATOM 513 CE LYS A 32 -7.231 5.298 9.631 1.00 0.00 C ATOM 514 NZ LYS A 32 -6.313 4.183 9.259 1.00 0.00 N ATOM 0 H LYS A 32 -11.504 6.086 7.825 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.232 7.345 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.209 7.842 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.554 8.634 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.813 7.568 9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.604 6.151 8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.438 5.600 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.672 6.936 8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.802 5.880 10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.179 4.898 9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.153 3.574 10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.740 3.623 8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.405 4.574 8.937 1.00 0.00 H new ATOM 528 N LEU A 33 -8.980 5.194 5.046 1.00 0.00 N ATOM 529 CA LEU A 33 -8.422 3.853 4.755 1.00 0.00 C ATOM 530 C LEU A 33 -6.899 3.921 4.839 1.00 0.00 C ATOM 531 O LEU A 33 -6.341 4.933 5.205 1.00 0.00 O ATOM 532 CB LEU A 33 -8.834 3.464 3.345 1.00 0.00 C ATOM 533 CG LEU A 33 -10.318 3.097 3.324 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.688 2.555 1.945 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.592 2.032 4.383 1.00 0.00 C ATOM 0 H LEU A 33 -8.870 5.876 4.295 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.792 3.119 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.644 4.290 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.236 2.620 3.001 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.916 3.983 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.746 2.293 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.491 3.316 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.091 1.668 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.650 1.769 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.995 1.145 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.327 2.420 5.366 1.00 0.00 H new ATOM 547 N GLU A 34 -6.209 2.868 4.505 1.00 0.00 N ATOM 548 CA GLU A 34 -4.728 2.927 4.577 1.00 0.00 C ATOM 549 C GLU A 34 -4.102 1.816 3.740 1.00 0.00 C ATOM 550 O GLU A 34 -4.701 1.280 2.830 1.00 0.00 O ATOM 551 CB GLU A 34 -4.279 2.763 6.026 1.00 0.00 C ATOM 552 CG GLU A 34 -3.116 3.714 6.316 1.00 0.00 C ATOM 553 CD GLU A 34 -2.460 3.327 7.642 1.00 0.00 C ATOM 554 OE1 GLU A 34 -3.062 3.575 8.673 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.366 2.787 7.604 1.00 0.00 O ATOM 0 H GLU A 34 -6.602 1.981 4.190 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.404 3.893 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.110 2.972 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.973 1.733 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.385 3.668 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.476 4.742 6.362 1.00 0.00 H new ATOM 562 N PHE A 35 -2.892 1.475 4.064 1.00 0.00 N ATOM 563 CA PHE A 35 -2.176 0.398 3.324 1.00 0.00 C ATOM 564 C PHE A 35 -1.148 -0.254 4.257 1.00 0.00 C ATOM 565 O PHE A 35 -0.653 0.381 5.167 1.00 0.00 O ATOM 566 CB PHE A 35 -1.448 0.998 2.117 1.00 0.00 C ATOM 567 CG PHE A 35 -2.437 1.693 1.211 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.771 3.033 1.438 1.00 0.00 C ATOM 569 CD2 PHE A 35 -3.013 0.999 0.139 1.00 0.00 C ATOM 570 CE1 PHE A 35 -3.681 3.680 0.595 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.926 1.647 -0.703 1.00 0.00 C ATOM 572 CZ PHE A 35 -4.259 2.988 -0.476 1.00 0.00 C ATOM 0 H PHE A 35 -2.358 1.901 4.821 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.894 -0.347 2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.691 1.706 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.929 0.213 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.326 3.568 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.753 -0.034 -0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.938 4.714 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.373 1.112 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.961 3.488 -1.127 1.00 0.00 H new ATOM 582 N PRO A 36 -0.851 -1.502 3.996 1.00 0.00 N ATOM 583 CA PRO A 36 0.126 -2.262 4.800 1.00 0.00 C ATOM 584 C PRO A 36 1.513 -1.618 4.680 1.00 0.00 C ATOM 585 O PRO A 36 1.638 -0.430 4.455 1.00 0.00 O ATOM 586 CB PRO A 36 0.126 -3.670 4.185 1.00 0.00 C ATOM 587 CG PRO A 36 -0.858 -3.662 2.986 1.00 0.00 C ATOM 588 CD PRO A 36 -1.466 -2.255 2.888 1.00 0.00 C ATOM 0 HA PRO A 36 -0.125 -2.281 5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.128 -3.943 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.179 -4.410 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.338 -3.919 2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.640 -4.407 3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.244 -1.794 1.925 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.551 -2.285 2.984 1.00 0.00 H new ATOM 596 N GLY A 37 2.558 -2.390 4.822 1.00 0.00 N ATOM 597 CA GLY A 37 3.930 -1.818 4.707 1.00 0.00 C ATOM 598 C GLY A 37 4.435 -1.390 6.085 1.00 0.00 C ATOM 599 O GLY A 37 3.748 -1.520 7.078 1.00 0.00 O ATOM 0 H GLY A 37 2.520 -3.391 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.606 -2.557 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.921 -0.962 4.032 1.00 0.00 H new ATOM 603 N GLY A 38 5.636 -0.881 6.153 1.00 0.00 N ATOM 604 CA GLY A 38 6.190 -0.444 7.465 1.00 0.00 C ATOM 605 C GLY A 38 7.545 0.237 7.252 1.00 0.00 C ATOM 606 O GLY A 38 7.854 1.233 7.876 1.00 0.00 O ATOM 0 H GLY A 38 6.257 -0.749 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.499 0.244 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.304 -1.303 8.127 1.00 0.00 H new ATOM 610 N LYS A 39 8.359 -0.293 6.376 1.00 0.00 N ATOM 611 CA LYS A 39 9.690 0.329 6.130 1.00 0.00 C ATOM 612 C LYS A 39 10.313 -0.265 4.864 1.00 0.00 C ATOM 613 O LYS A 39 9.828 -1.235 4.316 1.00 0.00 O ATOM 614 CB LYS A 39 10.609 0.058 7.323 1.00 0.00 C ATOM 615 CG LYS A 39 11.571 1.234 7.503 1.00 0.00 C ATOM 616 CD LYS A 39 11.868 1.429 8.992 1.00 0.00 C ATOM 617 CE LYS A 39 11.405 2.821 9.426 1.00 0.00 C ATOM 618 NZ LYS A 39 12.342 3.850 8.887 1.00 0.00 N ATOM 0 H LYS A 39 8.159 -1.127 5.823 1.00 0.00 H new ATOM 0 HA LYS A 39 9.565 1.404 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.017 -0.083 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.169 -0.863 7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.496 1.047 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.134 2.142 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.358 0.665 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.936 1.314 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.394 3.009 9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.369 2.881 10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.026 4.796 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.299 3.674 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.354 3.798 7.848 1.00 0.00 H new ATOM 632 N ILE A 40 11.385 0.315 4.396 1.00 0.00 N ATOM 633 CA ILE A 40 12.044 -0.209 3.167 1.00 0.00 C ATOM 634 C ILE A 40 13.554 -0.295 3.406 1.00 0.00 C ATOM 635 O ILE A 40 14.191 0.677 3.757 1.00 0.00 O ATOM 636 CB ILE A 40 11.756 0.735 1.996 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.110 0.045 0.678 1.00 0.00 C ATOM 638 CG2 ILE A 40 12.592 2.009 2.138 1.00 0.00 C ATOM 639 CD1 ILE A 40 11.729 0.956 -0.490 1.00 0.00 C ATOM 0 H ILE A 40 11.833 1.131 4.813 1.00 0.00 H new ATOM 0 HA ILE A 40 11.657 -1.201 2.932 1.00 0.00 H new ATOM 0 HB ILE A 40 10.697 0.993 2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.176 -0.178 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.583 -0.906 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.383 2.677 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.339 2.508 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.651 1.751 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.981 0.466 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.658 1.157 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.277 1.895 -0.412 1.00 0.00 H new ATOM 651 N GLU A 41 14.130 -1.452 3.229 1.00 0.00 N ATOM 652 CA GLU A 41 15.595 -1.596 3.459 1.00 0.00 C ATOM 653 C GLU A 41 16.369 -1.082 2.244 1.00 0.00 C ATOM 654 O GLU A 41 16.089 -1.439 1.116 1.00 0.00 O ATOM 655 CB GLU A 41 15.932 -3.070 3.691 1.00 0.00 C ATOM 656 CG GLU A 41 14.915 -3.674 4.661 1.00 0.00 C ATOM 657 CD GLU A 41 14.939 -5.199 4.542 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.066 -5.685 3.431 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.832 -5.855 5.566 1.00 0.00 O ATOM 0 H GLU A 41 13.650 -2.303 2.935 1.00 0.00 H new ATOM 0 HA GLU A 41 15.877 -1.012 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.916 -3.612 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.939 -3.165 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.149 -3.375 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.917 -3.297 4.439 1.00 0.00 H new ATOM 666 N MET A 42 17.349 -0.251 2.471 1.00 0.00 N ATOM 667 CA MET A 42 18.155 0.287 1.338 1.00 0.00 C ATOM 668 C MET A 42 19.606 -0.171 1.494 1.00 0.00 C ATOM 669 O MET A 42 20.479 0.604 1.828 1.00 0.00 O ATOM 670 CB MET A 42 18.101 1.816 1.350 1.00 0.00 C ATOM 671 CG MET A 42 18.986 2.371 0.230 1.00 0.00 C ATOM 672 SD MET A 42 18.855 4.176 0.193 1.00 0.00 S ATOM 673 CE MET A 42 20.346 4.533 1.155 1.00 0.00 C ATOM 0 H MET A 42 17.627 0.080 3.395 1.00 0.00 H new ATOM 0 HA MET A 42 17.751 -0.081 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 42 17.074 2.155 1.217 1.00 0.00 H new ATOM 0 HB3 MET A 42 18.439 2.194 2.315 1.00 0.00 H new ATOM 0 HG2 MET A 42 20.023 2.074 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 42 18.680 1.954 -0.730 1.00 0.00 H new ATOM 0 HE1 MET A 42 20.463 5.612 1.258 1.00 0.00 H new ATOM 0 HE2 MET A 42 20.258 4.082 2.143 1.00 0.00 H new ATOM 0 HE3 MET A 42 21.216 4.121 0.644 1.00 0.00 H new ATOM 683 N GLY A 43 19.868 -1.428 1.264 1.00 0.00 N ATOM 684 CA GLY A 43 21.261 -1.934 1.409 1.00 0.00 C ATOM 685 C GLY A 43 21.647 -2.759 0.179 1.00 0.00 C ATOM 686 O GLY A 43 22.734 -3.294 0.097 1.00 0.00 O ATOM 0 H GLY A 43 19.179 -2.125 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.950 -1.098 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.343 -2.545 2.308 1.00 0.00 H new ATOM 690 N GLU A 44 20.767 -2.869 -0.779 1.00 0.00 N ATOM 691 CA GLU A 44 21.099 -3.661 -1.995 1.00 0.00 C ATOM 692 C GLU A 44 20.328 -3.118 -3.201 1.00 0.00 C ATOM 693 O GLU A 44 20.899 -2.515 -4.088 1.00 0.00 O ATOM 694 CB GLU A 44 20.732 -5.129 -1.767 1.00 0.00 C ATOM 695 CG GLU A 44 21.993 -5.916 -1.405 1.00 0.00 C ATOM 696 CD GLU A 44 21.604 -7.319 -0.935 1.00 0.00 C ATOM 697 OE1 GLU A 44 20.890 -7.415 0.048 1.00 0.00 O ATOM 698 OE2 GLU A 44 22.028 -8.271 -1.567 1.00 0.00 O ATOM 0 H GLU A 44 19.838 -2.447 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 44 22.168 -3.581 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.996 -5.212 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.275 -5.545 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 44 22.654 -5.981 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 44 22.544 -5.398 -0.620 1.00 0.00 H new ATOM 705 N THR A 45 19.038 -3.321 -3.250 1.00 0.00 N ATOM 706 CA THR A 45 18.260 -2.807 -4.410 1.00 0.00 C ATOM 707 C THR A 45 16.793 -2.581 -3.995 1.00 0.00 C ATOM 708 O THR A 45 16.384 -2.987 -2.925 1.00 0.00 O ATOM 709 CB THR A 45 18.398 -3.805 -5.584 1.00 0.00 C ATOM 710 OG1 THR A 45 18.728 -3.093 -6.773 1.00 0.00 O ATOM 711 CG2 THR A 45 17.109 -4.601 -5.821 1.00 0.00 C ATOM 0 H THR A 45 18.495 -3.816 -2.543 1.00 0.00 H new ATOM 0 HA THR A 45 18.648 -1.844 -4.741 1.00 0.00 H new ATOM 0 HB THR A 45 19.186 -4.512 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.818 -3.724 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.254 -5.288 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.860 -5.167 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.295 -3.914 -6.054 1.00 0.00 H new ATOM 719 N PRO A 46 16.059 -1.907 -4.848 1.00 0.00 N ATOM 720 CA PRO A 46 14.641 -1.567 -4.592 1.00 0.00 C ATOM 721 C PRO A 46 13.740 -2.811 -4.588 1.00 0.00 C ATOM 722 O PRO A 46 12.709 -2.832 -3.946 1.00 0.00 O ATOM 723 CB PRO A 46 14.251 -0.644 -5.752 1.00 0.00 C ATOM 724 CG PRO A 46 15.448 -0.589 -6.735 1.00 0.00 C ATOM 725 CD PRO A 46 16.585 -1.424 -6.134 1.00 0.00 C ATOM 0 HA PRO A 46 14.518 -1.105 -3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 46 13.360 -1.019 -6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.013 0.354 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.160 -0.981 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.770 0.441 -6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 46 16.854 -2.254 -6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 46 17.484 -0.824 -5.993 1.00 0.00 H new ATOM 733 N GLU A 47 14.103 -3.839 -5.303 1.00 0.00 N ATOM 734 CA GLU A 47 13.248 -5.058 -5.340 1.00 0.00 C ATOM 735 C GLU A 47 13.474 -5.870 -4.063 1.00 0.00 C ATOM 736 O GLU A 47 12.620 -5.938 -3.206 1.00 0.00 O ATOM 737 CB GLU A 47 13.629 -5.900 -6.561 1.00 0.00 C ATOM 738 CG GLU A 47 12.513 -5.826 -7.608 1.00 0.00 C ATOM 739 CD GLU A 47 12.438 -4.407 -8.173 1.00 0.00 C ATOM 740 OE1 GLU A 47 11.965 -3.533 -7.465 1.00 0.00 O ATOM 741 OE2 GLU A 47 12.854 -4.218 -9.304 1.00 0.00 O ATOM 0 H GLU A 47 14.954 -3.888 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 47 12.198 -4.774 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.565 -5.538 -6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.794 -6.936 -6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.704 -6.539 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.559 -6.101 -7.158 1.00 0.00 H new ATOM 748 N GLN A 48 14.633 -6.461 -3.931 1.00 0.00 N ATOM 749 CA GLN A 48 14.979 -7.258 -2.737 1.00 0.00 C ATOM 750 C GLN A 48 14.400 -6.594 -1.518 1.00 0.00 C ATOM 751 O GLN A 48 14.002 -7.215 -0.555 1.00 0.00 O ATOM 752 CB GLN A 48 16.491 -7.251 -2.610 1.00 0.00 C ATOM 753 CG GLN A 48 16.918 -8.567 -2.011 1.00 0.00 C ATOM 754 CD GLN A 48 18.419 -8.545 -1.720 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.975 -7.509 -1.415 1.00 0.00 O ATOM 756 NE2 GLN A 48 19.102 -9.652 -1.802 1.00 0.00 N ATOM 0 H GLN A 48 15.373 -6.417 -4.632 1.00 0.00 H new ATOM 0 HA GLN A 48 14.591 -8.273 -2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.954 -7.109 -3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.816 -6.423 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.363 -8.755 -1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.684 -9.381 -2.697 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.635 -10.522 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.104 -9.649 -1.610 1.00 0.00 H new ATOM 765 N ALA A 49 14.390 -5.320 -1.571 1.00 0.00 N ATOM 766 CA ALA A 49 13.882 -4.527 -0.440 1.00 0.00 C ATOM 767 C ALA A 49 12.477 -4.985 -0.026 1.00 0.00 C ATOM 768 O ALA A 49 12.280 -5.503 1.054 1.00 0.00 O ATOM 769 CB ALA A 49 13.848 -3.047 -0.826 1.00 0.00 C ATOM 0 H ALA A 49 14.719 -4.772 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 49 14.551 -4.674 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.472 -2.461 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.855 -2.714 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.194 -2.910 -1.687 1.00 0.00 H new ATOM 775 N VAL A 50 11.496 -4.771 -0.860 1.00 0.00 N ATOM 776 CA VAL A 50 10.102 -5.161 -0.498 1.00 0.00 C ATOM 777 C VAL A 50 9.864 -6.649 -0.736 1.00 0.00 C ATOM 778 O VAL A 50 9.267 -7.326 0.077 1.00 0.00 O ATOM 779 CB VAL A 50 9.131 -4.351 -1.344 1.00 0.00 C ATOM 780 CG1 VAL A 50 9.368 -4.637 -2.828 1.00 0.00 C ATOM 781 CG2 VAL A 50 7.700 -4.730 -0.975 1.00 0.00 C ATOM 0 H VAL A 50 11.600 -4.342 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 50 9.947 -4.959 0.562 1.00 0.00 H new ATOM 0 HB VAL A 50 9.290 -3.289 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.669 -4.053 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.389 -4.363 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.215 -5.698 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.003 -4.151 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.546 -5.793 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.528 -4.518 0.080 1.00 0.00 H new ATOM 791 N VAL A 51 10.315 -7.159 -1.842 1.00 0.00 N ATOM 792 CA VAL A 51 10.107 -8.599 -2.135 1.00 0.00 C ATOM 793 C VAL A 51 10.394 -9.415 -0.873 1.00 0.00 C ATOM 794 O VAL A 51 9.618 -10.263 -0.481 1.00 0.00 O ATOM 795 CB VAL A 51 11.056 -9.006 -3.261 1.00 0.00 C ATOM 796 CG1 VAL A 51 12.448 -8.483 -2.960 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.128 -10.519 -3.372 1.00 0.00 C ATOM 0 H VAL A 51 10.821 -6.639 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 51 9.078 -8.784 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 51 10.683 -8.588 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.127 -8.772 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.420 -7.396 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.799 -8.904 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.808 -10.793 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.492 -10.936 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.135 -10.916 -3.584 1.00 0.00 H new ATOM 807 N ARG A 52 11.507 -9.167 -0.236 1.00 0.00 N ATOM 808 CA ARG A 52 11.866 -9.902 0.980 1.00 0.00 C ATOM 809 C ARG A 52 11.144 -9.306 2.204 1.00 0.00 C ATOM 810 O ARG A 52 10.932 -9.983 3.190 1.00 0.00 O ATOM 811 CB ARG A 52 13.386 -9.781 1.103 1.00 0.00 C ATOM 812 CG ARG A 52 13.798 -9.335 2.505 1.00 0.00 C ATOM 813 CD ARG A 52 15.319 -9.193 2.568 1.00 0.00 C ATOM 814 NE ARG A 52 15.726 -8.787 3.942 1.00 0.00 N ATOM 815 CZ ARG A 52 16.972 -8.899 4.311 1.00 0.00 C ATOM 816 NH1 ARG A 52 17.915 -8.345 3.599 1.00 0.00 N ATOM 817 NH2 ARG A 52 17.277 -9.562 5.392 1.00 0.00 N ATOM 0 H ARG A 52 12.189 -8.466 -0.526 1.00 0.00 H new ATOM 0 HA ARG A 52 11.563 -10.948 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.849 -10.741 0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.756 -9.066 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.323 -8.385 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.459 -10.061 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.794 -10.137 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.655 -8.451 1.844 1.00 0.00 H new ATOM 0 HE ARG A 52 15.031 -8.422 4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 52 17.677 -7.825 2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.890 -8.432 3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.541 -9.994 5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.252 -9.649 5.679 1.00 0.00 H new ATOM 831 N GLU A 53 10.789 -8.046 2.168 1.00 0.00 N ATOM 832 CA GLU A 53 10.117 -7.443 3.357 1.00 0.00 C ATOM 833 C GLU A 53 8.680 -7.952 3.481 1.00 0.00 C ATOM 834 O GLU A 53 8.337 -8.649 4.416 1.00 0.00 O ATOM 835 CB GLU A 53 10.097 -5.922 3.214 1.00 0.00 C ATOM 836 CG GLU A 53 11.491 -5.363 3.499 1.00 0.00 C ATOM 837 CD GLU A 53 11.551 -4.844 4.937 1.00 0.00 C ATOM 838 OE1 GLU A 53 11.625 -5.663 5.839 1.00 0.00 O ATOM 839 OE2 GLU A 53 11.522 -3.637 5.113 1.00 0.00 O ATOM 0 H GLU A 53 10.933 -7.417 1.378 1.00 0.00 H new ATOM 0 HA GLU A 53 10.672 -7.729 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.782 -5.645 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.373 -5.491 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.242 -6.138 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.721 -4.558 2.801 1.00 0.00 H new ATOM 846 N LEU A 54 7.834 -7.591 2.561 1.00 0.00 N ATOM 847 CA LEU A 54 6.412 -8.028 2.634 1.00 0.00 C ATOM 848 C LEU A 54 6.319 -9.551 2.761 1.00 0.00 C ATOM 849 O LEU A 54 5.471 -10.070 3.462 1.00 0.00 O ATOM 850 CB LEU A 54 5.689 -7.585 1.365 1.00 0.00 C ATOM 851 CG LEU A 54 5.205 -6.144 1.523 1.00 0.00 C ATOM 852 CD1 LEU A 54 4.908 -5.561 0.141 1.00 0.00 C ATOM 853 CD2 LEU A 54 3.932 -6.121 2.371 1.00 0.00 C ATOM 0 H LEU A 54 8.066 -7.009 1.756 1.00 0.00 H new ATOM 0 HA LEU A 54 5.950 -7.576 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.358 -7.662 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.843 -8.243 1.169 1.00 0.00 H new ATOM 0 HG LEU A 54 5.976 -5.550 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.562 -4.533 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.815 -5.579 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.135 -6.156 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.588 -5.093 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.158 -6.711 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.142 -6.542 3.354 1.00 0.00 H new ATOM 865 N GLN A 55 7.166 -10.276 2.084 1.00 0.00 N ATOM 866 CA GLN A 55 7.098 -11.763 2.167 1.00 0.00 C ATOM 867 C GLN A 55 7.497 -12.230 3.570 1.00 0.00 C ATOM 868 O GLN A 55 7.004 -13.224 4.062 1.00 0.00 O ATOM 869 CB GLN A 55 8.043 -12.379 1.131 1.00 0.00 C ATOM 870 CG GLN A 55 9.493 -12.122 1.540 1.00 0.00 C ATOM 871 CD GLN A 55 10.426 -12.916 0.624 1.00 0.00 C ATOM 872 OE1 GLN A 55 10.019 -13.246 -0.572 1.00 0.00 O flip ATOM 873 NE2 GLN A 55 11.536 -13.238 0.998 1.00 0.00 N flip ATOM 0 H GLN A 55 7.899 -9.906 1.479 1.00 0.00 H new ATOM 0 HA GLN A 55 6.076 -12.084 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.862 -13.451 1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.851 -11.949 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.718 -11.058 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.647 -12.416 2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.854 -12.980 1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.150 -13.766 0.378 1.00 0.00 H new ATOM 882 N GLU A 56 8.381 -11.528 4.223 1.00 0.00 N ATOM 883 CA GLU A 56 8.792 -11.954 5.591 1.00 0.00 C ATOM 884 C GLU A 56 7.721 -11.537 6.602 1.00 0.00 C ATOM 885 O GLU A 56 7.803 -11.856 7.772 1.00 0.00 O ATOM 886 CB GLU A 56 10.129 -11.305 5.955 1.00 0.00 C ATOM 887 CG GLU A 56 9.949 -9.793 6.103 1.00 0.00 C ATOM 888 CD GLU A 56 10.788 -9.296 7.282 1.00 0.00 C ATOM 889 OE1 GLU A 56 11.805 -9.908 7.558 1.00 0.00 O ATOM 890 OE2 GLU A 56 10.396 -8.312 7.888 1.00 0.00 O ATOM 0 H GLU A 56 8.834 -10.684 3.872 1.00 0.00 H new ATOM 0 HA GLU A 56 8.904 -13.038 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.507 -11.728 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.869 -11.518 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.254 -9.288 5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.898 -9.555 6.264 1.00 0.00 H new ATOM 897 N GLU A 57 6.717 -10.828 6.164 1.00 0.00 N ATOM 898 CA GLU A 57 5.645 -10.397 7.104 1.00 0.00 C ATOM 899 C GLU A 57 4.484 -11.392 7.047 1.00 0.00 C ATOM 900 O GLU A 57 4.007 -11.864 8.060 1.00 0.00 O ATOM 901 CB GLU A 57 5.145 -9.009 6.707 1.00 0.00 C ATOM 902 CG GLU A 57 4.786 -8.221 7.967 1.00 0.00 C ATOM 903 CD GLU A 57 3.305 -7.844 7.928 1.00 0.00 C ATOM 904 OE1 GLU A 57 2.948 -7.009 7.113 1.00 0.00 O ATOM 905 OE2 GLU A 57 2.551 -8.396 8.713 1.00 0.00 O ATOM 0 H GLU A 57 6.593 -10.529 5.197 1.00 0.00 H new ATOM 0 HA GLU A 57 6.045 -10.363 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.913 -8.482 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.274 -9.096 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.997 -8.818 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.399 -7.322 8.034 1.00 0.00 H new ATOM 912 N VAL A 58 4.029 -11.721 5.869 1.00 0.00 N ATOM 913 CA VAL A 58 2.905 -12.689 5.746 1.00 0.00 C ATOM 914 C VAL A 58 3.428 -13.957 5.060 1.00 0.00 C ATOM 915 O VAL A 58 2.968 -15.051 5.318 1.00 0.00 O ATOM 916 CB VAL A 58 1.760 -12.038 4.943 1.00 0.00 C ATOM 917 CG1 VAL A 58 2.324 -10.999 3.975 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.978 -13.093 4.152 1.00 0.00 C ATOM 0 H VAL A 58 4.389 -11.360 4.985 1.00 0.00 H new ATOM 0 HA VAL A 58 2.513 -12.961 6.726 1.00 0.00 H new ATOM 0 HB VAL A 58 1.085 -11.555 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.508 -10.545 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.851 -10.228 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.015 -11.482 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.176 -12.609 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.649 -13.599 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.552 -13.822 4.841 1.00 0.00 H new ATOM 928 N GLY A 59 4.410 -13.814 4.211 1.00 0.00 N ATOM 929 CA GLY A 59 4.998 -15.001 3.530 1.00 0.00 C ATOM 930 C GLY A 59 4.067 -15.539 2.439 1.00 0.00 C ATOM 931 O GLY A 59 3.243 -16.398 2.677 1.00 0.00 O ATOM 0 H GLY A 59 4.832 -12.920 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.958 -14.731 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.192 -15.784 4.263 1.00 0.00 H new ATOM 935 N ILE A 60 4.215 -15.054 1.236 1.00 0.00 N ATOM 936 CA ILE A 60 3.370 -15.543 0.114 1.00 0.00 C ATOM 937 C ILE A 60 4.274 -16.262 -0.899 1.00 0.00 C ATOM 938 O ILE A 60 5.484 -16.207 -0.801 1.00 0.00 O ATOM 939 CB ILE A 60 2.666 -14.367 -0.580 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.862 -13.055 0.210 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.178 -14.668 -0.677 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.837 -12.950 1.352 1.00 0.00 C ATOM 0 H ILE A 60 4.891 -14.334 0.982 1.00 0.00 H new ATOM 0 HA ILE A 60 2.612 -16.223 0.501 1.00 0.00 H new ATOM 0 HB ILE A 60 3.099 -14.242 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.872 -13.017 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.756 -12.202 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.670 -13.838 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.028 -15.579 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.768 -14.803 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.993 -12.018 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.829 -12.965 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.962 -13.793 2.032 1.00 0.00 H new ATOM 954 N THR A 61 3.710 -16.933 -1.871 1.00 0.00 N ATOM 955 CA THR A 61 4.567 -17.638 -2.872 1.00 0.00 C ATOM 956 C THR A 61 4.312 -17.052 -4.275 1.00 0.00 C ATOM 957 O THR A 61 5.170 -16.365 -4.793 1.00 0.00 O ATOM 958 CB THR A 61 4.286 -19.141 -2.828 1.00 0.00 C ATOM 959 OG1 THR A 61 3.056 -19.371 -2.151 1.00 0.00 O ATOM 960 CG2 THR A 61 5.405 -19.848 -2.079 1.00 0.00 C ATOM 0 H THR A 61 2.704 -17.023 -2.014 1.00 0.00 H new ATOM 0 HA THR A 61 5.619 -17.489 -2.631 1.00 0.00 H new ATOM 0 HB THR A 61 4.227 -19.527 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.873 -20.333 -2.123 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.203 -20.919 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.352 -19.672 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.463 -19.461 -1.062 1.00 0.00 H new ATOM 968 N PRO A 62 3.146 -17.307 -4.852 1.00 0.00 N ATOM 969 CA PRO A 62 2.786 -16.748 -6.179 1.00 0.00 C ATOM 970 C PRO A 62 2.436 -15.249 -6.080 1.00 0.00 C ATOM 971 O PRO A 62 1.495 -14.794 -6.697 1.00 0.00 O ATOM 972 CB PRO A 62 1.530 -17.519 -6.593 1.00 0.00 C ATOM 973 CG PRO A 62 1.035 -18.294 -5.350 1.00 0.00 C ATOM 974 CD PRO A 62 2.116 -18.194 -4.274 1.00 0.00 C ATOM 0 HA PRO A 62 3.612 -16.842 -6.884 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.760 -16.835 -6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.752 -18.205 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.096 -17.875 -4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.843 -19.337 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.715 -17.783 -3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.528 -19.175 -4.035 1.00 0.00 H new ATOM 982 N GLN A 63 3.165 -14.494 -5.302 1.00 0.00 N ATOM 983 CA GLN A 63 2.886 -13.041 -5.135 1.00 0.00 C ATOM 984 C GLN A 63 3.492 -12.261 -6.300 1.00 0.00 C ATOM 985 O GLN A 63 4.314 -11.386 -6.114 1.00 0.00 O ATOM 986 CB GLN A 63 3.513 -12.557 -3.827 1.00 0.00 C ATOM 987 CG GLN A 63 4.938 -13.105 -3.711 1.00 0.00 C ATOM 988 CD GLN A 63 5.841 -12.053 -3.066 1.00 0.00 C ATOM 989 OE1 GLN A 63 5.543 -11.550 -2.001 1.00 0.00 O ATOM 990 NE2 GLN A 63 6.942 -11.698 -3.670 1.00 0.00 N ATOM 0 H GLN A 63 3.961 -14.834 -4.763 1.00 0.00 H new ATOM 0 HA GLN A 63 1.808 -12.880 -5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.528 -11.467 -3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.914 -12.889 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.940 -14.017 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.318 -13.370 -4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.192 -12.120 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.552 -10.998 -3.248 1.00 0.00 H new ATOM 999 N HIS A 64 3.088 -12.566 -7.498 1.00 0.00 N ATOM 1000 CA HIS A 64 3.637 -11.831 -8.674 1.00 0.00 C ATOM 1001 C HIS A 64 3.185 -10.374 -8.591 1.00 0.00 C ATOM 1002 O HIS A 64 2.012 -10.093 -8.452 1.00 0.00 O ATOM 1003 CB HIS A 64 3.109 -12.461 -9.967 1.00 0.00 C ATOM 1004 CG HIS A 64 3.970 -12.034 -11.125 1.00 0.00 C ATOM 1005 ND1 HIS A 64 4.615 -12.949 -11.941 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.304 -10.794 -11.614 1.00 0.00 C ATOM 1007 CE1 HIS A 64 5.298 -12.254 -12.869 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.142 -10.937 -12.715 1.00 0.00 N ATOM 0 H HIS A 64 2.403 -13.290 -7.717 1.00 0.00 H new ATOM 0 HA HIS A 64 4.726 -11.885 -8.673 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.110 -13.548 -9.881 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.076 -12.156 -10.137 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.967 -9.852 -11.206 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.899 -12.706 -13.644 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.550 -10.195 -13.283 1.00 0.00 H new ATOM 1016 N PHE A 65 4.094 -9.436 -8.655 1.00 0.00 N ATOM 1017 CA PHE A 65 3.663 -8.014 -8.554 1.00 0.00 C ATOM 1018 C PHE A 65 4.537 -7.099 -9.397 1.00 0.00 C ATOM 1019 O PHE A 65 5.446 -7.516 -10.087 1.00 0.00 O ATOM 1020 CB PHE A 65 3.748 -7.550 -7.103 1.00 0.00 C ATOM 1021 CG PHE A 65 5.186 -7.574 -6.640 1.00 0.00 C ATOM 1022 CD1 PHE A 65 5.876 -8.789 -6.557 1.00 0.00 C ATOM 1023 CD2 PHE A 65 5.829 -6.378 -6.294 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.209 -8.808 -6.127 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.161 -6.399 -5.863 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.851 -7.614 -5.779 1.00 0.00 C ATOM 0 H PHE A 65 5.096 -9.589 -8.770 1.00 0.00 H new ATOM 0 HA PHE A 65 2.638 -7.960 -8.920 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.343 -6.542 -7.010 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.142 -8.197 -6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.381 -9.711 -6.824 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.297 -5.440 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.742 -9.745 -6.064 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.656 -5.477 -5.595 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.878 -7.630 -5.446 1.00 0.00 H new ATOM 1036 N SER A 66 4.248 -5.837 -9.313 1.00 0.00 N ATOM 1037 CA SER A 66 5.020 -4.811 -10.065 1.00 0.00 C ATOM 1038 C SER A 66 4.750 -3.453 -9.419 1.00 0.00 C ATOM 1039 O SER A 66 3.652 -3.186 -8.971 1.00 0.00 O ATOM 1040 CB SER A 66 4.566 -4.788 -11.525 1.00 0.00 C ATOM 1041 OG SER A 66 4.711 -6.087 -12.080 1.00 0.00 O ATOM 0 H SER A 66 3.491 -5.462 -8.741 1.00 0.00 H new ATOM 0 HA SER A 66 6.085 -5.041 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.527 -4.466 -11.590 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.159 -4.069 -12.091 1.00 0.00 H new ATOM 0 HG SER A 66 5.334 -6.609 -11.532 1.00 0.00 H new ATOM 1047 N LEU A 67 5.722 -2.588 -9.352 1.00 0.00 N ATOM 1048 CA LEU A 67 5.467 -1.266 -8.718 1.00 0.00 C ATOM 1049 C LEU A 67 4.579 -0.422 -9.624 1.00 0.00 C ATOM 1050 O LEU A 67 5.049 0.233 -10.534 1.00 0.00 O ATOM 1051 CB LEU A 67 6.779 -0.518 -8.481 1.00 0.00 C ATOM 1052 CG LEU A 67 6.462 0.912 -8.024 1.00 0.00 C ATOM 1053 CD1 LEU A 67 5.861 0.881 -6.616 1.00 0.00 C ATOM 1054 CD2 LEU A 67 7.750 1.739 -8.011 1.00 0.00 C ATOM 0 H LEU A 67 6.668 -2.735 -9.703 1.00 0.00 H new ATOM 0 HA LEU A 67 4.973 -1.437 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.374 -1.031 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.372 -0.499 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 67 5.746 1.362 -8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.637 1.898 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.944 0.292 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.574 0.431 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.527 2.755 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.465 1.288 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.177 1.764 -9.014 1.00 0.00 H new ATOM 1066 N PHE A 68 3.304 -0.412 -9.367 1.00 0.00 N ATOM 1067 CA PHE A 68 2.388 0.414 -10.194 1.00 0.00 C ATOM 1068 C PHE A 68 3.028 1.791 -10.388 1.00 0.00 C ATOM 1069 O PHE A 68 3.587 2.100 -11.420 1.00 0.00 O ATOM 1070 CB PHE A 68 1.047 0.549 -9.448 1.00 0.00 C ATOM 1071 CG PHE A 68 0.424 1.906 -9.690 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.138 2.328 -10.994 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.152 2.746 -8.605 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -0.420 3.592 -11.210 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.410 4.007 -8.821 1.00 0.00 C ATOM 1076 CZ PHE A 68 -0.694 4.431 -10.122 1.00 0.00 C ATOM 0 H PHE A 68 2.856 -0.941 -8.619 1.00 0.00 H new ATOM 0 HA PHE A 68 2.213 -0.045 -11.167 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.363 -0.233 -9.778 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.205 0.403 -8.379 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.348 1.679 -11.831 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.376 2.420 -7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.640 3.921 -12.215 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.625 4.654 -7.983 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.125 5.407 -10.289 1.00 0.00 H new ATOM 1086 N GLU A 69 2.942 2.609 -9.383 1.00 0.00 N ATOM 1087 CA GLU A 69 3.532 3.975 -9.464 1.00 0.00 C ATOM 1088 C GLU A 69 3.759 4.506 -8.049 1.00 0.00 C ATOM 1089 O GLU A 69 2.855 4.541 -7.238 1.00 0.00 O ATOM 1090 CB GLU A 69 2.572 4.904 -10.209 1.00 0.00 C ATOM 1091 CG GLU A 69 3.331 6.142 -10.692 1.00 0.00 C ATOM 1092 CD GLU A 69 3.263 6.219 -12.219 1.00 0.00 C ATOM 1093 OE1 GLU A 69 3.505 5.207 -12.856 1.00 0.00 O ATOM 1094 OE2 GLU A 69 2.972 7.291 -12.727 1.00 0.00 O ATOM 0 H GLU A 69 2.484 2.391 -8.498 1.00 0.00 H new ATOM 0 HA GLU A 69 4.481 3.934 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.129 4.382 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.753 5.199 -9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.899 7.041 -10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.370 6.095 -10.366 1.00 0.00 H new ATOM 1101 N LYS A 70 4.960 4.908 -7.738 1.00 0.00 N ATOM 1102 CA LYS A 70 5.250 5.418 -6.383 1.00 0.00 C ATOM 1103 C LYS A 70 5.033 6.932 -6.333 1.00 0.00 C ATOM 1104 O LYS A 70 5.186 7.627 -7.317 1.00 0.00 O ATOM 1105 CB LYS A 70 6.706 5.111 -6.064 1.00 0.00 C ATOM 1106 CG LYS A 70 7.599 5.677 -7.168 1.00 0.00 C ATOM 1107 CD LYS A 70 9.038 5.783 -6.659 1.00 0.00 C ATOM 1108 CE LYS A 70 9.722 4.422 -6.781 1.00 0.00 C ATOM 1109 NZ LYS A 70 10.133 4.200 -8.195 1.00 0.00 N ATOM 0 H LYS A 70 5.756 4.902 -8.376 1.00 0.00 H new ATOM 0 HA LYS A 70 4.587 4.944 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.978 5.546 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.852 4.034 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.560 5.034 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.238 6.659 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.585 6.530 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.044 6.114 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.593 4.380 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.044 3.632 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.823 3.423 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.298 3.953 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.565 5.068 -8.571 1.00 0.00 H new ATOM 1123 N LEU A 71 4.695 7.448 -5.183 1.00 0.00 N ATOM 1124 CA LEU A 71 4.489 8.918 -5.052 1.00 0.00 C ATOM 1125 C LEU A 71 5.533 9.473 -4.083 1.00 0.00 C ATOM 1126 O LEU A 71 6.487 8.801 -3.740 1.00 0.00 O ATOM 1127 CB LEU A 71 3.084 9.204 -4.515 1.00 0.00 C ATOM 1128 CG LEU A 71 2.711 8.161 -3.460 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.638 8.301 -2.253 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.263 8.384 -3.014 1.00 0.00 C ATOM 0 H LEU A 71 4.552 6.913 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 71 4.594 9.393 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.047 10.203 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.362 9.184 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 71 2.814 7.163 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.372 7.558 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.670 8.146 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.534 9.299 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.995 7.642 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.163 9.383 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.599 8.286 -3.873 1.00 0.00 H new ATOM 1142 N GLU A 72 5.373 10.688 -3.634 1.00 0.00 N ATOM 1143 CA GLU A 72 6.375 11.257 -2.689 1.00 0.00 C ATOM 1144 C GLU A 72 5.772 12.437 -1.924 1.00 0.00 C ATOM 1145 O GLU A 72 4.777 13.010 -2.322 1.00 0.00 O ATOM 1146 CB GLU A 72 7.601 11.733 -3.472 1.00 0.00 C ATOM 1147 CG GLU A 72 7.180 12.792 -4.495 1.00 0.00 C ATOM 1148 CD GLU A 72 6.599 12.105 -5.733 1.00 0.00 C ATOM 1149 OE1 GLU A 72 7.171 11.117 -6.162 1.00 0.00 O ATOM 1150 OE2 GLU A 72 5.592 12.581 -6.231 1.00 0.00 O ATOM 0 H GLU A 72 4.599 11.306 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 72 6.668 10.485 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.342 12.148 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.071 10.890 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.440 13.462 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.038 13.404 -4.775 1.00 0.00 H new ATOM 1157 N TYR A 73 6.378 12.804 -0.825 1.00 0.00 N ATOM 1158 CA TYR A 73 5.861 13.950 -0.024 1.00 0.00 C ATOM 1159 C TYR A 73 7.011 14.563 0.778 1.00 0.00 C ATOM 1160 O TYR A 73 7.717 13.879 1.491 1.00 0.00 O ATOM 1161 CB TYR A 73 4.776 13.458 0.938 1.00 0.00 C ATOM 1162 CG TYR A 73 3.765 14.559 1.158 1.00 0.00 C ATOM 1163 CD1 TYR A 73 4.180 15.799 1.660 1.00 0.00 C ATOM 1164 CD2 TYR A 73 2.415 14.341 0.858 1.00 0.00 C ATOM 1165 CE1 TYR A 73 3.243 16.820 1.863 1.00 0.00 C ATOM 1166 CE2 TYR A 73 1.479 15.362 1.061 1.00 0.00 C ATOM 1167 CZ TYR A 73 1.893 16.602 1.564 1.00 0.00 C ATOM 1168 OH TYR A 73 0.971 17.609 1.762 1.00 0.00 O ATOM 0 H TYR A 73 7.213 12.356 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 73 5.437 14.699 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.285 12.575 0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.223 13.164 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.222 15.968 1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.096 13.385 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.562 17.776 2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.438 15.194 0.830 1.00 0.00 H new ATOM 0 HH TYR A 73 0.080 17.293 1.503 1.00 0.00 H new ATOM 1178 N GLU A 74 7.207 15.849 0.665 1.00 0.00 N ATOM 1179 CA GLU A 74 8.313 16.502 1.421 1.00 0.00 C ATOM 1180 C GLU A 74 7.755 17.175 2.672 1.00 0.00 C ATOM 1181 O GLU A 74 6.893 18.027 2.603 1.00 0.00 O ATOM 1182 CB GLU A 74 8.988 17.555 0.541 1.00 0.00 C ATOM 1183 CG GLU A 74 10.189 18.143 1.283 1.00 0.00 C ATOM 1184 CD GLU A 74 9.841 19.542 1.796 1.00 0.00 C ATOM 1185 OE1 GLU A 74 8.667 19.873 1.808 1.00 0.00 O ATOM 1186 OE2 GLU A 74 10.755 20.258 2.168 1.00 0.00 O ATOM 0 H GLU A 74 6.650 16.474 0.083 1.00 0.00 H new ATOM 0 HA GLU A 74 9.043 15.745 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.311 17.107 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.279 18.344 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.466 17.498 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.051 18.193 0.618 1.00 0.00 H new ATOM 1193 N PHE A 75 8.249 16.799 3.815 1.00 0.00 N ATOM 1194 CA PHE A 75 7.766 17.413 5.078 1.00 0.00 C ATOM 1195 C PHE A 75 8.531 18.722 5.310 1.00 0.00 C ATOM 1196 O PHE A 75 9.387 19.075 4.524 1.00 0.00 O ATOM 1197 CB PHE A 75 8.015 16.434 6.225 1.00 0.00 C ATOM 1198 CG PHE A 75 6.691 16.001 6.810 1.00 0.00 C ATOM 1199 CD1 PHE A 75 5.585 15.821 5.972 1.00 0.00 C ATOM 1200 CD2 PHE A 75 6.571 15.780 8.185 1.00 0.00 C ATOM 1201 CE1 PHE A 75 4.357 15.418 6.509 1.00 0.00 C ATOM 1202 CE2 PHE A 75 5.343 15.376 8.725 1.00 0.00 C ATOM 1203 CZ PHE A 75 4.236 15.195 7.886 1.00 0.00 C ATOM 0 H PHE A 75 8.971 16.088 3.929 1.00 0.00 H new ATOM 0 HA PHE A 75 6.699 17.630 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.567 15.566 5.864 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.628 16.905 6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.679 15.993 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.425 15.921 8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.504 15.279 5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.250 15.204 9.787 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.289 14.883 8.301 1.00 0.00 H new ATOM 1213 N PRO A 76 8.193 19.414 6.369 1.00 0.00 N ATOM 1214 CA PRO A 76 8.837 20.700 6.696 1.00 0.00 C ATOM 1215 C PRO A 76 10.357 20.557 6.824 1.00 0.00 C ATOM 1216 O PRO A 76 11.070 21.537 6.903 1.00 0.00 O ATOM 1217 CB PRO A 76 8.213 21.126 8.029 1.00 0.00 C ATOM 1218 CG PRO A 76 7.111 20.095 8.383 1.00 0.00 C ATOM 1219 CD PRO A 76 7.151 18.984 7.319 1.00 0.00 C ATOM 0 HA PRO A 76 8.678 21.438 5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.970 21.161 8.812 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.789 22.127 7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.281 19.680 9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.131 20.573 8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.394 18.019 7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.186 18.874 6.825 1.00 0.00 H new ATOM 1227 N ASP A 77 10.868 19.358 6.846 1.00 0.00 N ATOM 1228 CA ASP A 77 12.347 19.204 6.971 1.00 0.00 C ATOM 1229 C ASP A 77 12.832 17.809 6.539 1.00 0.00 C ATOM 1230 O ASP A 77 14.017 17.545 6.544 1.00 0.00 O ATOM 1231 CB ASP A 77 12.757 19.448 8.423 1.00 0.00 C ATOM 1232 CG ASP A 77 14.085 20.203 8.460 1.00 0.00 C ATOM 1233 OD1 ASP A 77 14.977 19.832 7.714 1.00 0.00 O ATOM 1234 OD2 ASP A 77 14.190 21.141 9.234 1.00 0.00 O ATOM 0 H ASP A 77 10.337 18.489 6.784 1.00 0.00 H new ATOM 0 HA ASP A 77 12.809 19.934 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.986 20.022 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.852 18.498 8.949 1.00 0.00 H new ATOM 1239 N ARG A 78 11.959 16.905 6.185 1.00 0.00 N ATOM 1240 CA ARG A 78 12.419 15.560 5.789 1.00 0.00 C ATOM 1241 C ARG A 78 11.822 15.180 4.433 1.00 0.00 C ATOM 1242 O ARG A 78 11.200 15.984 3.768 1.00 0.00 O ATOM 1243 CB ARG A 78 11.964 14.554 6.842 1.00 0.00 C ATOM 1244 CG ARG A 78 10.715 15.054 7.578 1.00 0.00 C ATOM 1245 CD ARG A 78 10.536 14.252 8.868 1.00 0.00 C ATOM 1246 NE ARG A 78 11.306 14.903 9.965 1.00 0.00 N ATOM 1247 CZ ARG A 78 11.081 14.579 11.210 1.00 0.00 C ATOM 1248 NH1 ARG A 78 9.879 14.249 11.597 1.00 0.00 N ATOM 1249 NH2 ARG A 78 12.062 14.588 12.071 1.00 0.00 N ATOM 0 H ARG A 78 10.949 17.047 6.156 1.00 0.00 H new ATOM 0 HA ARG A 78 13.506 15.556 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.751 13.596 6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.768 14.383 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.813 16.115 7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.836 14.945 6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.480 14.198 9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.881 13.228 8.724 1.00 0.00 H new ATOM 0 HE ARG A 78 12.012 15.605 9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.111 14.243 10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.708 13.997 12.570 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.002 14.848 11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.889 14.335 13.044 1.00 0.00 H new ATOM 1263 N HIS A 79 12.013 13.957 4.018 1.00 0.00 N ATOM 1264 CA HIS A 79 11.464 13.516 2.707 1.00 0.00 C ATOM 1265 C HIS A 79 10.740 12.180 2.877 1.00 0.00 C ATOM 1266 O HIS A 79 11.331 11.123 2.781 1.00 0.00 O ATOM 1267 CB HIS A 79 12.613 13.354 1.712 1.00 0.00 C ATOM 1268 CG HIS A 79 13.590 14.477 1.912 1.00 0.00 C ATOM 1269 ND1 HIS A 79 13.441 15.839 1.844 1.00 0.00 N flip ATOM 1270 CD2 HIS A 79 14.917 14.257 2.243 1.00 0.00 C flip ATOM 1271 CE1 HIS A 79 14.655 16.458 2.127 1.00 0.00 C flip ATOM 1272 NE2 HIS A 79 15.510 15.458 2.361 1.00 0.00 N flip ATOM 0 H HIS A 79 12.528 13.243 4.533 1.00 0.00 H new ATOM 0 HA HIS A 79 10.759 14.260 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.107 12.394 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.232 13.363 0.691 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.389 13.296 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 79 14.861 17.518 2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 79 16.493 15.590 2.600 1.00 0.00 H new ATOM 1280 N ILE A 80 9.461 12.220 3.129 1.00 0.00 N ATOM 1281 CA ILE A 80 8.694 10.954 3.307 1.00 0.00 C ATOM 1282 C ILE A 80 8.326 10.384 1.936 1.00 0.00 C ATOM 1283 O ILE A 80 7.412 10.849 1.285 1.00 0.00 O ATOM 1284 CB ILE A 80 7.417 11.235 4.099 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.784 11.832 5.460 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.646 9.929 4.303 1.00 0.00 C ATOM 1287 CD1 ILE A 80 6.556 11.823 6.373 1.00 0.00 C ATOM 0 H ILE A 80 8.913 13.075 3.220 1.00 0.00 H new ATOM 0 HA ILE A 80 9.306 10.234 3.850 1.00 0.00 H new ATOM 0 HB ILE A 80 6.794 11.941 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.592 11.258 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.149 12.851 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.735 10.129 4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.386 9.505 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.267 9.222 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.819 12.248 7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.762 12.416 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.211 10.798 6.509 1.00 0.00 H new ATOM 1299 N THR A 81 9.030 9.381 1.492 1.00 0.00 N ATOM 1300 CA THR A 81 8.721 8.785 0.162 1.00 0.00 C ATOM 1301 C THR A 81 8.079 7.409 0.349 1.00 0.00 C ATOM 1302 O THR A 81 8.619 6.545 1.011 1.00 0.00 O ATOM 1303 CB THR A 81 10.015 8.637 -0.642 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.924 9.665 -0.267 1.00 0.00 O ATOM 1305 CG2 THR A 81 9.708 8.744 -2.136 1.00 0.00 C ATOM 0 H THR A 81 9.806 8.948 1.992 1.00 0.00 H new ATOM 0 HA THR A 81 8.029 9.436 -0.373 1.00 0.00 H new ATOM 0 HB THR A 81 10.461 7.664 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.754 9.571 -0.780 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.631 8.638 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.013 7.955 -2.422 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.261 9.715 -2.347 1.00 0.00 H new ATOM 1313 N LEU A 82 6.931 7.197 -0.236 1.00 0.00 N ATOM 1314 CA LEU A 82 6.255 5.877 -0.101 1.00 0.00 C ATOM 1315 C LEU A 82 6.073 5.264 -1.491 1.00 0.00 C ATOM 1316 O LEU A 82 5.938 5.964 -2.475 1.00 0.00 O ATOM 1317 CB LEU A 82 4.888 6.066 0.560 1.00 0.00 C ATOM 1318 CG LEU A 82 4.647 4.938 1.567 1.00 0.00 C ATOM 1319 CD1 LEU A 82 4.206 5.529 2.908 1.00 0.00 C ATOM 1320 CD2 LEU A 82 3.553 4.009 1.038 1.00 0.00 C ATOM 0 H LEU A 82 6.432 7.883 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 82 6.862 5.214 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.846 7.032 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.103 6.066 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 82 5.570 4.375 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.035 4.723 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.984 6.191 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.284 6.094 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.380 3.205 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.632 4.574 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.866 3.584 0.084 1.00 0.00 H new ATOM 1332 N TRP A 83 6.075 3.961 -1.586 1.00 0.00 N ATOM 1333 CA TRP A 83 5.910 3.312 -2.920 1.00 0.00 C ATOM 1334 C TRP A 83 4.664 2.426 -2.908 1.00 0.00 C ATOM 1335 O TRP A 83 4.293 1.870 -1.892 1.00 0.00 O ATOM 1336 CB TRP A 83 7.139 2.450 -3.251 1.00 0.00 C ATOM 1337 CG TRP A 83 8.269 2.776 -2.326 1.00 0.00 C ATOM 1338 CD1 TRP A 83 8.454 2.231 -1.101 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.368 3.706 -2.532 1.00 0.00 C ATOM 1340 NE1 TRP A 83 9.600 2.771 -0.542 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.198 3.686 -1.386 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.721 4.560 -3.592 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.339 4.484 -1.296 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 10.869 5.364 -3.504 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.675 5.325 -2.359 1.00 0.00 C ATOM 0 H TRP A 83 6.183 3.319 -0.800 1.00 0.00 H new ATOM 0 HA TRP A 83 5.805 4.090 -3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.884 1.394 -3.166 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.444 2.622 -4.283 1.00 0.00 H new ATOM 0 HD1 TRP A 83 7.813 1.496 -0.636 1.00 0.00 H new ATOM 0 HE1 TRP A 83 9.959 2.523 0.380 1.00 0.00 H new ATOM 0 HE3 TRP A 83 9.106 4.598 -4.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 11.957 4.452 -0.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.132 6.016 -4.324 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.557 5.946 -2.298 1.00 0.00 H new ATOM 1356 N PHE A 84 4.016 2.285 -4.031 1.00 0.00 N ATOM 1357 CA PHE A 84 2.797 1.432 -4.087 1.00 0.00 C ATOM 1358 C PHE A 84 3.077 0.211 -4.963 1.00 0.00 C ATOM 1359 O PHE A 84 2.936 0.257 -6.168 1.00 0.00 O ATOM 1360 CB PHE A 84 1.642 2.232 -4.693 1.00 0.00 C ATOM 1361 CG PHE A 84 1.013 3.097 -3.628 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.805 3.984 -2.890 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.362 3.011 -3.378 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.223 4.786 -1.903 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.945 3.814 -2.389 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.153 4.702 -1.652 1.00 0.00 C ATOM 0 H PHE A 84 4.279 2.724 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 84 2.530 1.111 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.006 2.853 -5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.898 1.555 -5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.866 4.049 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.973 2.326 -3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.835 5.471 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.005 3.748 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.602 5.322 -0.890 1.00 0.00 H new ATOM 1376 N TRP A 85 3.470 -0.886 -4.372 1.00 0.00 N ATOM 1377 CA TRP A 85 3.749 -2.099 -5.189 1.00 0.00 C ATOM 1378 C TRP A 85 2.455 -2.900 -5.347 1.00 0.00 C ATOM 1379 O TRP A 85 2.134 -3.749 -4.540 1.00 0.00 O ATOM 1380 CB TRP A 85 4.812 -2.960 -4.502 1.00 0.00 C ATOM 1381 CG TRP A 85 6.160 -2.341 -4.693 1.00 0.00 C ATOM 1382 CD1 TRP A 85 6.715 -1.423 -3.869 1.00 0.00 C ATOM 1383 CD2 TRP A 85 7.130 -2.578 -5.755 1.00 0.00 C ATOM 1384 NE1 TRP A 85 7.965 -1.080 -4.357 1.00 0.00 N ATOM 1385 CE2 TRP A 85 8.265 -1.766 -5.518 1.00 0.00 C ATOM 1386 CE3 TRP A 85 7.135 -3.411 -6.888 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 9.367 -1.780 -6.376 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 8.241 -3.427 -7.754 1.00 0.00 C ATOM 1389 CH2 TRP A 85 9.354 -2.614 -7.498 1.00 0.00 C ATOM 0 H TRP A 85 3.609 -0.993 -3.367 1.00 0.00 H new ATOM 0 HA TRP A 85 4.120 -1.802 -6.170 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.590 -3.050 -3.439 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.802 -3.968 -4.917 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.258 -1.023 -2.976 1.00 0.00 H new ATOM 0 HE1 TRP A 85 8.587 -0.404 -3.914 1.00 0.00 H new ATOM 0 HE3 TRP A 85 6.283 -4.042 -7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 10.222 -1.152 -6.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 8.234 -4.069 -8.622 1.00 0.00 H new ATOM 0 HH2 TRP A 85 10.201 -2.632 -8.167 1.00 0.00 H new ATOM 1400 N LEU A 86 1.706 -2.623 -6.379 1.00 0.00 N ATOM 1401 CA LEU A 86 0.425 -3.350 -6.597 1.00 0.00 C ATOM 1402 C LEU A 86 0.716 -4.723 -7.210 1.00 0.00 C ATOM 1403 O LEU A 86 1.257 -4.826 -8.293 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.454 -2.527 -7.547 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.925 -2.936 -7.412 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.317 -2.997 -5.939 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.799 -1.893 -8.106 1.00 0.00 C ATOM 0 H LEU A 86 1.928 -1.920 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.093 -3.489 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.344 -1.466 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.123 -2.673 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.066 -3.916 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.364 -3.288 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.693 -3.729 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.175 -2.017 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.847 -2.177 -8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.645 -0.920 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.530 -1.836 -9.161 1.00 0.00 H new ATOM 1419 N VAL A 87 0.378 -5.780 -6.518 1.00 0.00 N ATOM 1420 CA VAL A 87 0.648 -7.138 -7.044 1.00 0.00 C ATOM 1421 C VAL A 87 -0.524 -7.618 -7.904 1.00 0.00 C ATOM 1422 O VAL A 87 -1.330 -6.834 -8.366 1.00 0.00 O ATOM 1423 CB VAL A 87 0.844 -8.072 -5.859 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.750 -7.403 -4.825 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.507 -8.380 -5.219 1.00 0.00 C ATOM 0 H VAL A 87 -0.076 -5.754 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 87 1.541 -7.127 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 87 1.303 -8.998 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.890 -8.073 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.717 -7.183 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.290 -6.476 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.364 -9.049 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.967 -7.453 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.156 -8.858 -5.952 1.00 0.00 H new ATOM 1435 N GLU A 88 -0.621 -8.903 -8.135 1.00 0.00 N ATOM 1436 CA GLU A 88 -1.737 -9.416 -8.979 1.00 0.00 C ATOM 1437 C GLU A 88 -2.179 -10.817 -8.526 1.00 0.00 C ATOM 1438 O GLU A 88 -3.343 -11.153 -8.615 1.00 0.00 O ATOM 1439 CB GLU A 88 -1.275 -9.478 -10.438 1.00 0.00 C ATOM 1440 CG GLU A 88 -1.446 -8.102 -11.088 1.00 0.00 C ATOM 1441 CD GLU A 88 -0.692 -8.066 -12.418 1.00 0.00 C ATOM 1442 OE1 GLU A 88 0.528 -8.070 -12.386 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -1.347 -8.033 -13.447 1.00 0.00 O ATOM 0 H GLU A 88 0.020 -9.612 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.586 -8.740 -8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.231 -9.788 -10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.854 -10.224 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.503 -7.895 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.069 -7.325 -10.423 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.278 -11.645 -8.053 1.00 0.00 N ATOM 1451 CA ARG A 89 -1.690 -13.017 -7.627 1.00 0.00 C ATOM 1452 C ARG A 89 -0.836 -13.491 -6.456 1.00 0.00 C ATOM 1453 O ARG A 89 0.210 -12.951 -6.190 1.00 0.00 O ATOM 1454 CB ARG A 89 -1.495 -13.997 -8.789 1.00 0.00 C ATOM 1455 CG ARG A 89 -2.620 -13.840 -9.817 1.00 0.00 C ATOM 1456 CD ARG A 89 -2.012 -13.708 -11.217 1.00 0.00 C ATOM 1457 NE ARG A 89 -2.259 -14.958 -11.993 1.00 0.00 N ATOM 1458 CZ ARG A 89 -2.245 -16.118 -11.393 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -1.216 -16.463 -10.668 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -3.259 -16.929 -11.515 1.00 0.00 N ATOM 0 H ARG A 89 -0.286 -11.432 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.737 -12.982 -7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.531 -13.818 -9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.479 -15.019 -8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.287 -14.701 -9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.221 -12.961 -9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.450 -12.855 -11.735 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.941 -13.521 -11.142 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.439 -14.907 -12.996 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.424 -15.827 -10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.203 -17.369 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.064 -16.658 -12.079 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.247 -17.835 -11.046 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.273 -14.522 -5.777 1.00 0.00 N ATOM 1475 CA TRP A 90 -0.486 -15.085 -4.640 1.00 0.00 C ATOM 1476 C TRP A 90 -1.237 -16.254 -4.029 1.00 0.00 C ATOM 1477 O TRP A 90 -2.362 -16.550 -4.378 1.00 0.00 O ATOM 1478 CB TRP A 90 -0.210 -14.046 -3.559 1.00 0.00 C ATOM 1479 CG TRP A 90 -1.454 -13.707 -2.799 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -1.741 -14.154 -1.553 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -2.565 -12.850 -3.193 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -2.954 -13.626 -1.153 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -3.506 -12.821 -2.132 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.850 -12.103 -4.353 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.683 -12.079 -2.221 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -4.036 -11.358 -4.442 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -4.950 -11.345 -3.380 1.00 0.00 C ATOM 0 H TRP A 90 -2.153 -15.003 -5.966 1.00 0.00 H new ATOM 0 HA TRP A 90 0.473 -15.414 -5.039 1.00 0.00 H new ATOM 0 HB2 TRP A 90 0.546 -14.425 -2.872 1.00 0.00 H new ATOM 0 HB3 TRP A 90 0.197 -13.144 -4.015 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.122 -14.816 -0.966 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.388 -13.808 -0.248 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.153 -12.104 -5.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.384 -12.071 -1.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.246 -10.790 -5.336 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.860 -10.768 -3.457 1.00 0.00 H new ATOM 1498 N GLU A 91 -0.591 -16.942 -3.146 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.221 -18.133 -2.522 1.00 0.00 C ATOM 1500 C GLU A 91 -1.417 -17.940 -1.015 1.00 0.00 C ATOM 1501 O GLU A 91 -2.431 -17.429 -0.585 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.318 -19.332 -2.767 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.921 -20.560 -2.092 1.00 0.00 C ATOM 1504 CD GLU A 91 -0.202 -21.819 -2.578 1.00 0.00 C ATOM 1505 OE1 GLU A 91 0.633 -21.698 -3.459 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -0.498 -22.884 -2.061 1.00 0.00 O ATOM 0 H GLU A 91 0.354 -16.733 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.204 -18.287 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.209 -19.507 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.679 -19.138 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.831 -20.473 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.985 -20.626 -2.319 1.00 0.00 H new ATOM 1513 N GLY A 92 -0.460 -18.374 -0.220 1.00 0.00 N ATOM 1514 CA GLY A 92 -0.561 -18.257 1.271 1.00 0.00 C ATOM 1515 C GLY A 92 -1.509 -17.136 1.671 1.00 0.00 C ATOM 1516 O GLY A 92 -2.699 -17.332 1.817 1.00 0.00 O ATOM 0 H GLY A 92 0.400 -18.811 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.912 -19.200 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.427 -18.069 1.692 1.00 0.00 H new ATOM 1520 N GLU A 93 -0.987 -15.969 1.854 1.00 0.00 N ATOM 1521 CA GLU A 93 -1.831 -14.828 2.250 1.00 0.00 C ATOM 1522 C GLU A 93 -1.514 -13.636 1.337 1.00 0.00 C ATOM 1523 O GLU A 93 -0.536 -13.624 0.662 1.00 0.00 O ATOM 1524 CB GLU A 93 -1.509 -14.477 3.700 1.00 0.00 C ATOM 1525 CG GLU A 93 -2.682 -14.875 4.601 1.00 0.00 C ATOM 1526 CD GLU A 93 -2.775 -13.904 5.778 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -2.081 -14.124 6.758 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -3.539 -12.958 5.681 1.00 0.00 O ATOM 0 H GLU A 93 0.004 -15.754 1.744 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.888 -15.076 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.603 -14.994 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.315 -13.408 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.612 -14.863 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.545 -15.893 4.966 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.346 -12.663 1.367 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.185 -11.441 0.559 1.00 0.00 C ATOM 1537 C PRO A 94 -0.716 -11.022 0.434 1.00 0.00 C ATOM 1538 O PRO A 94 -0.021 -11.496 -0.442 1.00 0.00 O ATOM 1539 CB PRO A 94 -3.036 -10.421 1.310 1.00 0.00 C ATOM 1540 CG PRO A 94 -3.685 -11.172 2.495 1.00 0.00 C ATOM 1541 CD PRO A 94 -3.511 -12.655 2.227 1.00 0.00 C ATOM 0 HA PRO A 94 -2.500 -11.563 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.423 -9.592 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.798 -9.996 0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.211 -10.892 3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.741 -10.917 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.347 -13.220 3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.384 -13.088 1.738 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.230 -10.160 1.292 1.00 0.00 N ATOM 1550 CA TRP A 95 1.207 -9.737 1.210 1.00 0.00 C ATOM 1551 C TRP A 95 1.498 -8.570 2.160 1.00 0.00 C ATOM 1552 O TRP A 95 2.632 -8.333 2.523 1.00 0.00 O ATOM 1553 CB TRP A 95 1.584 -9.300 -0.212 1.00 0.00 C ATOM 1554 CG TRP A 95 3.074 -9.387 -0.359 1.00 0.00 C ATOM 1555 CD1 TRP A 95 3.867 -10.256 0.312 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.964 -8.592 -1.203 1.00 0.00 C ATOM 1557 NE1 TRP A 95 5.179 -10.050 -0.066 1.00 0.00 N ATOM 1558 CE2 TRP A 95 5.291 -9.037 -0.994 1.00 0.00 C ATOM 1559 CE3 TRP A 95 3.753 -7.543 -2.117 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 6.371 -8.461 -1.665 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 4.841 -6.960 -2.794 1.00 0.00 C ATOM 1562 CH2 TRP A 95 6.147 -7.419 -2.567 1.00 0.00 C ATOM 0 H TRP A 95 -0.764 -9.729 2.047 1.00 0.00 H new ATOM 0 HA TRP A 95 1.800 -10.605 1.496 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.093 -9.938 -0.947 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.244 -8.281 -0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.528 -10.991 1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.969 -10.583 0.297 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.751 -7.183 -2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.374 -8.819 -1.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.669 -6.154 -3.492 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.978 -6.967 -3.089 1.00 0.00 H new ATOM 1573 N GLY A 96 0.503 -7.830 2.559 1.00 0.00 N ATOM 1574 CA GLY A 96 0.765 -6.675 3.474 1.00 0.00 C ATOM 1575 C GLY A 96 0.266 -7.004 4.879 1.00 0.00 C ATOM 1576 O GLY A 96 0.907 -7.719 5.625 1.00 0.00 O ATOM 0 H GLY A 96 -0.473 -7.969 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.832 -6.454 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.264 -5.782 3.100 1.00 0.00 H new ATOM 1580 N LYS A 97 -0.876 -6.495 5.240 1.00 0.00 N ATOM 1581 CA LYS A 97 -1.436 -6.770 6.583 1.00 0.00 C ATOM 1582 C LYS A 97 -0.327 -6.722 7.639 1.00 0.00 C ATOM 1583 O LYS A 97 0.351 -7.700 7.884 1.00 0.00 O ATOM 1584 CB LYS A 97 -2.072 -8.150 6.565 1.00 0.00 C ATOM 1585 CG LYS A 97 -2.732 -8.410 7.910 1.00 0.00 C ATOM 1586 CD LYS A 97 -2.314 -9.787 8.430 1.00 0.00 C ATOM 1587 CE LYS A 97 -3.547 -10.553 8.910 1.00 0.00 C ATOM 1588 NZ LYS A 97 -3.114 -11.750 9.684 1.00 0.00 N ATOM 0 H LYS A 97 -1.451 -5.892 4.651 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.182 -6.016 6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.810 -8.214 5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.317 -8.910 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.443 -7.638 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.816 -8.362 7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.811 -10.347 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.601 -9.677 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.170 -9.910 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.155 -10.857 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.951 -12.273 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.537 -12.366 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.551 -11.448 10.505 1.00 0.00 H new ATOM 1602 N GLU A 98 -0.137 -5.593 8.266 1.00 0.00 N ATOM 1603 CA GLU A 98 0.927 -5.488 9.304 1.00 0.00 C ATOM 1604 C GLU A 98 0.297 -5.195 10.667 1.00 0.00 C ATOM 1605 O GLU A 98 0.678 -4.263 11.348 1.00 0.00 O ATOM 1606 CB GLU A 98 1.887 -4.353 8.937 1.00 0.00 C ATOM 1607 CG GLU A 98 3.065 -4.350 9.912 1.00 0.00 C ATOM 1608 CD GLU A 98 4.250 -5.091 9.290 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.532 -4.847 8.128 1.00 0.00 O ATOM 1610 OE2 GLU A 98 4.857 -5.887 9.987 1.00 0.00 O ATOM 0 H GLU A 98 -0.672 -4.740 8.104 1.00 0.00 H new ATOM 0 HA GLU A 98 1.472 -6.431 9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.246 -4.481 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.367 -3.396 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.349 -3.325 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.776 -4.827 10.848 1.00 0.00 H new ATOM 1617 N GLY A 99 -0.660 -5.983 11.076 1.00 0.00 N ATOM 1618 CA GLY A 99 -1.303 -5.746 12.398 1.00 0.00 C ATOM 1619 C GLY A 99 -2.653 -5.052 12.202 1.00 0.00 C ATOM 1620 O GLY A 99 -3.333 -4.722 13.152 1.00 0.00 O ATOM 0 H GLY A 99 -1.023 -6.779 10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.443 -6.693 12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.655 -5.131 13.023 1.00 0.00 H new ATOM 1624 N GLN A 100 -3.046 -4.826 10.978 1.00 0.00 N ATOM 1625 CA GLN A 100 -4.350 -4.153 10.732 1.00 0.00 C ATOM 1626 C GLN A 100 -5.218 -5.026 9.816 1.00 0.00 C ATOM 1627 O GLN A 100 -4.806 -5.364 8.724 1.00 0.00 O ATOM 1628 CB GLN A 100 -4.099 -2.805 10.056 1.00 0.00 C ATOM 1629 CG GLN A 100 -4.638 -1.683 10.944 1.00 0.00 C ATOM 1630 CD GLN A 100 -4.463 -0.338 10.238 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -5.508 0.417 10.029 1.00 0.00 O flip ATOM 1632 NE2 GLN A 100 -3.364 0.032 9.874 1.00 0.00 N flip ATOM 0 H GLN A 100 -2.521 -5.078 10.141 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.865 -4.002 11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.032 -2.666 9.883 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.586 -2.778 9.081 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.692 -1.855 11.164 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.110 -1.675 11.898 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.548 -0.557 10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.258 0.932 9.406 1.00 0.00 H new ATOM 1641 N PRO A 101 -6.399 -5.364 10.280 1.00 0.00 N ATOM 1642 CA PRO A 101 -7.336 -6.191 9.499 1.00 0.00 C ATOM 1643 C PRO A 101 -7.698 -5.477 8.194 1.00 0.00 C ATOM 1644 O PRO A 101 -8.363 -4.460 8.197 1.00 0.00 O ATOM 1645 CB PRO A 101 -8.574 -6.337 10.395 1.00 0.00 C ATOM 1646 CG PRO A 101 -8.291 -5.578 11.717 1.00 0.00 C ATOM 1647 CD PRO A 101 -6.892 -4.952 11.606 1.00 0.00 C ATOM 0 HA PRO A 101 -6.914 -7.159 9.228 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.455 -5.928 9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.780 -7.389 10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.043 -4.807 11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.339 -6.259 12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.937 -3.866 11.692 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.235 -5.308 12.400 1.00 0.00 H new ATOM 1655 N GLY A 102 -7.260 -5.994 7.078 1.00 0.00 N ATOM 1656 CA GLY A 102 -7.577 -5.331 5.781 1.00 0.00 C ATOM 1657 C GLY A 102 -8.839 -5.942 5.181 1.00 0.00 C ATOM 1658 O GLY A 102 -9.444 -6.825 5.756 1.00 0.00 O ATOM 0 H GLY A 102 -6.699 -6.843 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.718 -4.261 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.742 -5.447 5.090 1.00 0.00 H new ATOM 1662 N GLU A 103 -9.257 -5.474 4.033 1.00 0.00 N ATOM 1663 CA GLU A 103 -10.500 -6.045 3.431 1.00 0.00 C ATOM 1664 C GLU A 103 -10.338 -6.253 1.926 1.00 0.00 C ATOM 1665 O GLU A 103 -9.484 -5.671 1.286 1.00 0.00 O ATOM 1666 CB GLU A 103 -11.678 -5.099 3.669 1.00 0.00 C ATOM 1667 CG GLU A 103 -11.453 -4.304 4.951 1.00 0.00 C ATOM 1668 CD GLU A 103 -11.544 -5.241 6.156 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -12.391 -6.119 6.135 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.764 -5.068 7.078 1.00 0.00 O ATOM 0 H GLU A 103 -8.803 -4.736 3.495 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.687 -7.008 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.787 -4.420 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.604 -5.669 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.476 -3.821 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.197 -3.512 5.036 1.00 0.00 H new ATOM 1677 N TRP A 104 -11.179 -7.076 1.360 1.00 0.00 N ATOM 1678 CA TRP A 104 -11.121 -7.338 -0.108 1.00 0.00 C ATOM 1679 C TRP A 104 -12.107 -6.409 -0.821 1.00 0.00 C ATOM 1680 O TRP A 104 -13.274 -6.718 -0.959 1.00 0.00 O ATOM 1681 CB TRP A 104 -11.522 -8.789 -0.395 1.00 0.00 C ATOM 1682 CG TRP A 104 -10.616 -9.730 0.331 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -9.566 -9.365 1.100 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -10.664 -11.187 0.368 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -8.965 -10.505 1.606 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -9.605 -11.653 1.183 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -11.514 -12.141 -0.223 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -9.399 -13.016 1.405 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -11.309 -13.513 -0.001 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -10.254 -13.949 0.810 1.00 0.00 C ATOM 0 H TRP A 104 -11.911 -7.583 1.857 1.00 0.00 H new ATOM 0 HA TRP A 104 -10.106 -7.161 -0.463 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.554 -8.956 -0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -11.474 -8.982 -1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -9.248 -8.350 1.289 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -8.148 -10.498 2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -12.330 -11.816 -0.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -8.585 -13.348 2.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -11.969 -14.235 -0.458 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -10.101 -15.005 0.976 1.00 0.00 H new ATOM 1701 N MET A 105 -11.655 -5.273 -1.273 1.00 0.00 N ATOM 1702 CA MET A 105 -12.574 -4.334 -1.974 1.00 0.00 C ATOM 1703 C MET A 105 -12.719 -4.752 -3.437 1.00 0.00 C ATOM 1704 O MET A 105 -12.218 -5.779 -3.851 1.00 0.00 O ATOM 1705 CB MET A 105 -12.001 -2.920 -1.907 1.00 0.00 C ATOM 1706 CG MET A 105 -13.003 -2.000 -1.211 1.00 0.00 C ATOM 1707 SD MET A 105 -12.306 -1.432 0.359 1.00 0.00 S ATOM 1708 CE MET A 105 -11.461 0.030 -0.292 1.00 0.00 C ATOM 0 H MET A 105 -10.690 -4.954 -1.187 1.00 0.00 H new ATOM 0 HA MET A 105 -13.551 -4.358 -1.492 1.00 0.00 H new ATOM 0 HB2 MET A 105 -11.056 -2.924 -1.364 1.00 0.00 H new ATOM 0 HB3 MET A 105 -11.790 -2.553 -2.911 1.00 0.00 H new ATOM 0 HG2 MET A 105 -13.234 -1.147 -1.849 1.00 0.00 H new ATOM 0 HG3 MET A 105 -13.939 -2.530 -1.036 1.00 0.00 H new ATOM 0 HE1 MET A 105 -10.443 0.065 0.096 1.00 0.00 H new ATOM 0 HE2 MET A 105 -11.433 -0.020 -1.380 1.00 0.00 H new ATOM 0 HE3 MET A 105 -11.997 0.928 0.016 1.00 0.00 H new ATOM 1718 N SER A 106 -13.396 -3.962 -4.226 1.00 0.00 N ATOM 1719 CA SER A 106 -13.567 -4.310 -5.663 1.00 0.00 C ATOM 1720 C SER A 106 -12.692 -3.385 -6.511 1.00 0.00 C ATOM 1721 O SER A 106 -12.272 -2.335 -6.066 1.00 0.00 O ATOM 1722 CB SER A 106 -15.032 -4.137 -6.065 1.00 0.00 C ATOM 1723 OG SER A 106 -15.454 -5.276 -6.803 1.00 0.00 O ATOM 0 H SER A 106 -13.838 -3.090 -3.936 1.00 0.00 H new ATOM 0 HA SER A 106 -13.271 -5.347 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.653 -4.014 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.152 -3.235 -6.665 1.00 0.00 H new ATOM 0 HG SER A 106 -16.393 -5.169 -7.061 1.00 0.00 H new ATOM 1729 N LEU A 107 -12.407 -3.765 -7.726 1.00 0.00 N ATOM 1730 CA LEU A 107 -11.554 -2.907 -8.592 1.00 0.00 C ATOM 1731 C LEU A 107 -12.405 -2.280 -9.700 1.00 0.00 C ATOM 1732 O LEU A 107 -12.023 -2.264 -10.854 1.00 0.00 O ATOM 1733 CB LEU A 107 -10.450 -3.763 -9.212 1.00 0.00 C ATOM 1734 CG LEU A 107 -9.525 -2.882 -10.049 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -8.244 -2.598 -9.264 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -9.175 -3.610 -11.349 1.00 0.00 C ATOM 0 H LEU A 107 -12.728 -4.633 -8.155 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.109 -2.112 -7.994 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.881 -4.263 -8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.888 -4.543 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.025 -1.941 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.583 -1.969 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.493 -2.084 -8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.741 -3.538 -9.035 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.515 -2.985 -11.950 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.673 -4.549 -11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.088 -3.816 -11.908 1.00 0.00 H new ATOM 1748 N VAL A 108 -13.553 -1.755 -9.362 1.00 0.00 N ATOM 1749 CA VAL A 108 -14.417 -1.121 -10.401 1.00 0.00 C ATOM 1750 C VAL A 108 -14.298 0.396 -10.282 1.00 0.00 C ATOM 1751 O VAL A 108 -15.141 1.137 -10.748 1.00 0.00 O ATOM 1752 CB VAL A 108 -15.875 -1.530 -10.189 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.708 -1.068 -11.386 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -15.968 -3.052 -10.061 1.00 0.00 C ATOM 0 H VAL A 108 -13.929 -1.738 -8.414 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.096 -1.448 -11.390 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.254 -1.067 -9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.748 -1.358 -11.239 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.643 0.016 -11.478 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -16.327 -1.533 -12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.008 -3.342 -9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -15.590 -3.517 -10.971 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -15.372 -3.383 -9.210 1.00 0.00 H new ATOM 1764 N GLY A 109 -13.262 0.859 -9.644 1.00 0.00 N ATOM 1765 CA GLY A 109 -13.081 2.324 -9.468 1.00 0.00 C ATOM 1766 C GLY A 109 -12.728 2.589 -8.009 1.00 0.00 C ATOM 1767 O GLY A 109 -13.540 3.057 -7.238 1.00 0.00 O ATOM 0 H GLY A 109 -12.528 0.281 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.291 2.691 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.993 2.855 -9.741 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.523 2.276 -7.619 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.121 2.490 -6.211 1.00 0.00 C ATOM 1773 C LEU A 110 -11.621 3.854 -5.736 1.00 0.00 C ATOM 1774 O LEU A 110 -11.567 4.833 -6.452 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.600 2.434 -6.115 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.184 1.168 -5.363 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -7.677 1.192 -5.109 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -9.924 1.104 -4.026 1.00 0.00 C ATOM 0 H LEU A 110 -10.801 1.880 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.556 1.714 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.161 2.438 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.225 3.317 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.435 0.293 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.384 0.289 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.148 1.237 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.423 2.067 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.628 0.202 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.673 1.981 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.999 1.083 -4.206 1.00 0.00 H new ATOM 1790 N ASN A 111 -12.114 3.919 -4.533 1.00 0.00 N ATOM 1791 CA ASN A 111 -12.631 5.212 -4.004 1.00 0.00 C ATOM 1792 C ASN A 111 -11.518 5.945 -3.248 1.00 0.00 C ATOM 1793 O ASN A 111 -11.249 5.664 -2.096 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.799 4.944 -3.055 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.994 5.811 -3.453 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -16.073 5.307 -3.695 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -14.846 7.106 -3.535 1.00 0.00 N ATOM 0 H ASN A 111 -12.182 3.130 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.970 5.831 -4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.074 3.890 -3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -13.504 5.163 -2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -15.636 7.694 -3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -13.941 7.530 -3.332 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.877 6.888 -3.883 1.00 0.00 N ATOM 1805 CA ALA A 112 -9.791 7.646 -3.199 1.00 0.00 C ATOM 1806 C ALA A 112 -10.393 8.439 -2.039 1.00 0.00 C ATOM 1807 O ALA A 112 -9.711 8.821 -1.108 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.151 8.616 -4.191 1.00 0.00 C ATOM 0 H ALA A 112 -11.059 7.167 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.037 6.954 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.356 9.172 -3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.734 8.057 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.906 9.311 -4.558 1.00 0.00 H new ATOM 1814 N ASP A 113 -11.671 8.692 -2.096 1.00 0.00 N ATOM 1815 CA ASP A 113 -12.338 9.460 -1.016 1.00 0.00 C ATOM 1816 C ASP A 113 -12.364 8.627 0.259 1.00 0.00 C ATOM 1817 O ASP A 113 -12.370 9.150 1.356 1.00 0.00 O ATOM 1818 CB ASP A 113 -13.763 9.764 -1.449 1.00 0.00 C ATOM 1819 CG ASP A 113 -14.218 11.090 -0.838 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -13.359 11.879 -0.478 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -15.416 11.295 -0.739 1.00 0.00 O ATOM 0 H ASP A 113 -12.285 8.395 -2.854 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.797 10.387 -0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.819 9.816 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.428 8.960 -1.133 1.00 0.00 H new ATOM 1826 N ASP A 114 -12.368 7.334 0.124 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.381 6.475 1.331 1.00 0.00 C ATOM 1828 C ASP A 114 -10.966 6.430 1.899 1.00 0.00 C ATOM 1829 O ASP A 114 -10.739 5.959 2.995 1.00 0.00 O ATOM 1830 CB ASP A 114 -12.834 5.063 0.952 1.00 0.00 C ATOM 1831 CG ASP A 114 -13.737 4.504 2.054 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -13.485 4.808 3.208 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -14.665 3.784 1.725 1.00 0.00 O ATOM 0 H ASP A 114 -12.363 6.838 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.071 6.876 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.370 5.084 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -11.968 4.416 0.814 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.010 6.938 1.168 1.00 0.00 N ATOM 1839 CA PHE A 115 -8.611 6.938 1.682 1.00 0.00 C ATOM 1840 C PHE A 115 -8.339 8.275 2.373 1.00 0.00 C ATOM 1841 O PHE A 115 -8.984 9.261 2.078 1.00 0.00 O ATOM 1842 CB PHE A 115 -7.629 6.738 0.527 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.400 5.261 0.325 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -6.765 4.504 1.320 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.828 4.645 -0.855 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -6.560 3.133 1.128 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -7.623 3.275 -1.045 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.990 2.518 -0.054 1.00 0.00 C ATOM 0 H PHE A 115 -10.136 7.350 0.244 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.481 6.122 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.025 7.185 -0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.686 7.239 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.435 4.978 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -8.318 5.228 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -6.070 2.549 1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -7.954 2.801 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.833 1.460 -0.200 1.00 0.00 H new ATOM 1858 N PRO A 116 -7.404 8.266 3.286 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.049 9.471 4.049 1.00 0.00 C ATOM 1860 C PRO A 116 -6.310 10.472 3.147 1.00 0.00 C ATOM 1861 O PRO A 116 -5.554 10.078 2.282 1.00 0.00 O ATOM 1862 CB PRO A 116 -6.122 8.963 5.159 1.00 0.00 C ATOM 1863 CG PRO A 116 -5.886 7.453 4.924 1.00 0.00 C ATOM 1864 CD PRO A 116 -6.630 7.063 3.640 1.00 0.00 C ATOM 0 HA PRO A 116 -7.923 9.989 4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.176 9.504 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.570 9.132 6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.821 7.242 4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.252 6.872 5.770 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.936 6.789 2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -7.282 6.205 3.803 1.00 0.00 H new ATOM 1872 N PRO A 117 -6.553 11.738 3.380 1.00 0.00 N ATOM 1873 CA PRO A 117 -5.923 12.820 2.598 1.00 0.00 C ATOM 1874 C PRO A 117 -4.406 12.829 2.823 1.00 0.00 C ATOM 1875 O PRO A 117 -3.936 13.130 3.903 1.00 0.00 O ATOM 1876 CB PRO A 117 -6.547 14.111 3.144 1.00 0.00 C ATOM 1877 CG PRO A 117 -7.490 13.723 4.312 1.00 0.00 C ATOM 1878 CD PRO A 117 -7.477 12.193 4.434 1.00 0.00 C ATOM 0 HA PRO A 117 -6.085 12.701 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.771 14.794 3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.101 14.629 2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.156 14.184 5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.501 14.083 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.137 11.878 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.474 11.777 4.292 1.00 0.00 H new ATOM 1886 N ALA A 118 -3.638 12.513 1.813 1.00 0.00 N ATOM 1887 CA ALA A 118 -2.154 12.513 1.976 1.00 0.00 C ATOM 1888 C ALA A 118 -1.507 11.711 0.844 1.00 0.00 C ATOM 1889 O ALA A 118 -0.346 11.890 0.531 1.00 0.00 O ATOM 1890 CB ALA A 118 -1.785 11.879 3.317 1.00 0.00 C ATOM 0 H ALA A 118 -3.973 12.256 0.885 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.793 13.541 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.701 11.880 3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.238 12.451 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.152 10.853 3.348 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.240 10.824 0.232 1.00 0.00 N ATOM 1897 CA ASN A 119 -1.666 10.011 -0.867 1.00 0.00 C ATOM 1898 C ASN A 119 -2.455 10.266 -2.149 1.00 0.00 C ATOM 1899 O ASN A 119 -2.807 9.360 -2.866 1.00 0.00 O ATOM 1900 CB ASN A 119 -1.755 8.536 -0.490 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.359 8.019 -0.147 1.00 0.00 C ATOM 1902 OD1 ASN A 119 0.218 7.249 -0.888 1.00 0.00 O ATOM 1903 ND2 ASN A 119 0.213 8.417 0.955 1.00 0.00 N ATOM 0 H ASN A 119 -3.217 10.629 0.450 1.00 0.00 H new ATOM 0 HA ASN A 119 -0.623 10.284 -1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.423 8.406 0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.175 7.962 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 119 1.146 8.082 1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.272 9.064 1.577 1.00 0.00 H new ATOM 1910 N GLU A 120 -2.731 11.505 -2.431 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.501 11.860 -3.657 1.00 0.00 C ATOM 1912 C GLU A 120 -2.709 11.603 -4.965 1.00 0.00 C ATOM 1913 O GLU A 120 -3.312 11.298 -5.972 1.00 0.00 O ATOM 1914 CB GLU A 120 -3.879 13.340 -3.591 1.00 0.00 C ATOM 1915 CG GLU A 120 -4.316 13.694 -2.169 1.00 0.00 C ATOM 1916 CD GLU A 120 -5.129 14.990 -2.193 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.040 15.079 -2.999 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -4.827 15.872 -1.406 1.00 0.00 O ATOM 0 H GLU A 120 -2.453 12.301 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.384 11.221 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.030 13.956 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.685 13.552 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.914 12.885 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.443 13.812 -1.527 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.399 11.762 -4.947 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.582 11.568 -6.165 1.00 0.00 C ATOM 1927 C PRO A 121 -0.734 10.152 -6.740 1.00 0.00 C ATOM 1928 O PRO A 121 -0.774 9.975 -7.942 1.00 0.00 O ATOM 1929 CB PRO A 121 0.863 11.825 -5.717 1.00 0.00 C ATOM 1930 CG PRO A 121 0.819 12.291 -4.242 1.00 0.00 C ATOM 1931 CD PRO A 121 -0.628 12.138 -3.752 1.00 0.00 C ATOM 0 HA PRO A 121 -0.895 12.240 -6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.461 10.919 -5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.329 12.584 -6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.496 11.694 -3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.145 13.328 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -0.703 11.375 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -0.998 13.068 -3.320 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.815 9.138 -5.918 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.959 7.766 -6.475 1.00 0.00 C ATOM 1941 C VAL A 122 -2.412 7.311 -6.297 1.00 0.00 C ATOM 1942 O VAL A 122 -2.984 6.674 -7.157 1.00 0.00 O ATOM 1943 CB VAL A 122 0.037 6.828 -5.758 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -0.678 5.638 -5.111 1.00 0.00 C ATOM 1945 CG2 VAL A 122 1.048 6.307 -6.779 1.00 0.00 C ATOM 0 H VAL A 122 -0.788 9.201 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.729 7.746 -7.540 1.00 0.00 H new ATOM 0 HB VAL A 122 0.536 7.394 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.054 4.999 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.398 6.001 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.199 5.065 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.757 5.643 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.524 5.759 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.585 7.147 -7.220 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.012 7.655 -5.193 1.00 0.00 N ATOM 1956 CA ILE A 123 -4.427 7.271 -4.959 1.00 0.00 C ATOM 1957 C ILE A 123 -5.272 7.778 -6.123 1.00 0.00 C ATOM 1958 O ILE A 123 -6.186 7.118 -6.579 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.910 7.924 -3.669 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -4.202 7.269 -2.476 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -6.422 7.756 -3.551 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.887 5.948 -2.118 1.00 0.00 C ATOM 0 H ILE A 123 -2.579 8.189 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.514 6.187 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.676 8.988 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.154 7.090 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.221 7.941 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.769 8.222 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.908 8.231 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.670 6.695 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.376 5.492 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.928 6.137 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.845 5.273 -2.973 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.971 8.950 -6.606 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.753 9.509 -7.741 1.00 0.00 C ATOM 1976 C ALA A 124 -5.737 8.515 -8.904 1.00 0.00 C ATOM 1977 O ALA A 124 -6.752 8.229 -9.505 1.00 0.00 O ATOM 1978 CB ALA A 124 -5.128 10.831 -8.192 1.00 0.00 C ATOM 0 H ALA A 124 -4.217 9.545 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.781 9.685 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.702 11.240 -9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.136 11.539 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.100 10.657 -8.511 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.587 7.988 -9.222 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.497 7.014 -10.342 1.00 0.00 C ATOM 1986 C LYS A 125 -5.246 5.732 -9.968 1.00 0.00 C ATOM 1987 O LYS A 125 -5.836 5.079 -10.806 1.00 0.00 O ATOM 1988 CB LYS A 125 -3.029 6.684 -10.612 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.556 7.430 -11.862 1.00 0.00 C ATOM 1990 CD LYS A 125 -2.652 6.502 -13.075 1.00 0.00 C ATOM 1991 CE LYS A 125 -1.899 7.123 -14.255 1.00 0.00 C ATOM 1992 NZ LYS A 125 -0.434 7.060 -13.997 1.00 0.00 N ATOM 0 H LYS A 125 -3.705 8.191 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.944 7.448 -11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.419 6.967 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.907 5.610 -10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.166 8.319 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.528 7.769 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.230 5.526 -12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.697 6.341 -13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.140 6.591 -15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.210 8.158 -14.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.080 7.121 -14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.155 7.853 -13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.203 6.162 -13.527 1.00 0.00 H new ATOM 2006 N LEU A 126 -5.228 5.366 -8.715 1.00 0.00 N ATOM 2007 CA LEU A 126 -5.932 4.136 -8.287 1.00 0.00 C ATOM 2008 C LEU A 126 -7.389 4.200 -8.734 1.00 0.00 C ATOM 2009 O LEU A 126 -8.036 3.190 -8.934 1.00 0.00 O ATOM 2010 CB LEU A 126 -5.867 4.052 -6.773 1.00 0.00 C ATOM 2011 CG LEU A 126 -4.712 3.142 -6.350 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.459 3.485 -7.160 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -4.425 3.353 -4.865 1.00 0.00 C ATOM 0 H LEU A 126 -4.751 5.873 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.463 3.259 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.730 5.047 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.808 3.666 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.985 2.102 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.639 2.834 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.661 3.341 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.183 4.524 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.603 2.707 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.153 4.394 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.314 3.109 -4.284 1.00 0.00 H new ATOM 2025 N LYS A 127 -7.912 5.380 -8.903 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.308 5.509 -9.350 1.00 0.00 C ATOM 2027 C LYS A 127 -9.446 4.788 -10.687 1.00 0.00 C ATOM 2028 O LYS A 127 -10.329 3.980 -10.887 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.616 6.991 -9.512 1.00 0.00 C ATOM 2030 CG LYS A 127 -9.685 7.645 -8.132 1.00 0.00 C ATOM 2031 CD LYS A 127 -10.259 9.057 -8.255 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.627 9.957 -7.190 1.00 0.00 C ATOM 2033 NZ LYS A 127 -9.685 11.376 -7.641 1.00 0.00 N ATOM 0 H LYS A 127 -7.423 6.261 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.002 5.072 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.846 7.470 -10.117 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.562 7.123 -10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -10.307 7.046 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -8.690 7.685 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.060 9.457 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -11.342 9.033 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.154 9.843 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.592 9.661 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.256 11.988 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.163 11.478 -8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.677 11.654 -7.786 1.00 0.00 H new ATOM 2047 N ARG A 128 -8.560 5.074 -11.599 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.604 4.417 -12.918 1.00 0.00 C ATOM 2049 C ARG A 128 -7.880 3.068 -12.843 1.00 0.00 C ATOM 2050 O ARG A 128 -7.812 2.340 -13.814 1.00 0.00 O ATOM 2051 CB ARG A 128 -7.906 5.318 -13.932 1.00 0.00 C ATOM 2052 CG ARG A 128 -8.950 6.158 -14.666 1.00 0.00 C ATOM 2053 CD ARG A 128 -8.400 7.566 -14.898 1.00 0.00 C ATOM 2054 NE ARG A 128 -6.995 7.476 -15.389 1.00 0.00 N ATOM 2055 CZ ARG A 128 -6.418 8.525 -15.904 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -6.787 8.963 -17.077 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -5.474 9.139 -15.244 1.00 0.00 N ATOM 0 H ARG A 128 -7.801 5.744 -11.477 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.638 4.249 -13.219 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.191 5.967 -13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.342 4.715 -14.644 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -9.202 5.693 -15.619 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -9.869 6.207 -14.082 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -9.017 8.094 -15.625 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -8.437 8.140 -13.972 1.00 0.00 H new ATOM 0 HE ARG A 128 -6.486 6.595 -15.322 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -7.527 8.484 -17.591 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.335 9.784 -17.480 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.189 8.798 -14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -5.022 9.960 -15.646 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.335 2.731 -11.698 1.00 0.00 N ATOM 2072 CA LEU A 129 -6.614 1.428 -11.565 1.00 0.00 C ATOM 2073 C LEU A 129 -7.381 0.332 -12.309 1.00 0.00 C ATOM 2074 O LEU A 129 -6.920 -0.076 -13.363 1.00 0.00 O ATOM 2075 CB LEU A 129 -6.509 1.054 -10.084 1.00 0.00 C ATOM 2076 CG LEU A 129 -5.245 0.228 -9.846 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -4.160 1.117 -9.236 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -5.562 -0.917 -8.881 1.00 0.00 C ATOM 2079 OXT LEU A 129 -8.416 -0.082 -11.812 1.00 0.00 O ATOM 0 H LEU A 129 -7.359 3.301 -10.853 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.616 1.525 -11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.485 1.956 -9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.388 0.486 -9.780 1.00 0.00 H new ATOM 0 HG LEU A 129 -4.893 -0.177 -10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.259 0.527 -9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.934 1.936 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.512 1.522 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.662 -1.508 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.914 -0.508 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.336 -1.552 -9.312 1.00 0.00 H new