USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc= -5.06! C(o=-6!,f=-7.1!) USER MOD Set 1.2: A 81 THR OG1 : rot -140:sc= -0.95 USER MOD Single : A 2 LYS NZ :NH3+ -155:sc= -0.0914 (180deg=-0.506) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 13 ASN : amide:sc= -7.87! C(o=-7.9!,f=-12!) USER MOD Single : A 15 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.46) USER MOD Single : A 16 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3.2!) USER MOD Single : A 21 THR OG1 : rot 23:sc= 1.63 USER MOD Single : A 31 ASN : amide:sc= -2.25 K(o=-2.2,f=-2.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= -0.245 (180deg=-1.07) USER MOD Single : A 42 MET CE :methyl 141:sc= -0.543 (180deg=-2.35!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.055) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0115 F(o=-1.8,f=-0.012) USER MOD Single : A 64 HIS : no HE2:sc= -18.8! C(o=-19!,f=-26!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.836 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 105 MET CE :methyl -161:sc= -0.299 (180deg=-1.07) USER MOD Single : A 106 SER OG : rot 42:sc= 0.0459 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.6!) USER MOD Single : A 125 LYS NZ :NH3+ 139:sc= 1.08 (180deg=-0.889) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.962 -5.711 -3.444 1.00 0.00 N ATOM 21 CA LYS A 2 -20.832 -5.006 -4.038 1.00 0.00 C ATOM 22 C LYS A 2 -19.512 -5.522 -3.477 1.00 0.00 C ATOM 23 O LYS A 2 -19.395 -5.785 -2.281 1.00 0.00 O ATOM 24 CB LYS A 2 -20.953 -3.501 -3.787 1.00 0.00 C ATOM 25 CG LYS A 2 -20.295 -2.650 -4.860 1.00 0.00 C ATOM 26 CD LYS A 2 -21.222 -2.431 -6.045 1.00 0.00 C ATOM 27 CE LYS A 2 -20.926 -1.117 -6.749 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.231 0.057 -5.886 1.00 0.00 N ATOM 0 HA LYS A 2 -20.846 -5.190 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.008 -3.236 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.504 -3.265 -2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.010 -1.687 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.379 -3.134 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.114 -3.255 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -22.257 -2.437 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.876 -1.090 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.513 -1.056 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -21.429 0.885 -6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.062 -0.152 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.415 0.259 -5.274 1.00 0.00 H new ATOM 42 N LYS A 3 -18.520 -5.666 -4.350 1.00 0.00 N ATOM 43 CA LYS A 3 -17.206 -6.152 -3.942 1.00 0.00 C ATOM 44 C LYS A 3 -16.097 -5.390 -4.657 1.00 0.00 C ATOM 45 O LYS A 3 -16.187 -5.117 -5.853 1.00 0.00 O ATOM 46 CB LYS A 3 -17.080 -7.650 -4.232 1.00 0.00 C ATOM 47 CG LYS A 3 -18.195 -8.483 -3.621 1.00 0.00 C ATOM 48 CD LYS A 3 -18.236 -9.880 -4.220 1.00 0.00 C ATOM 49 CE LYS A 3 -17.029 -10.702 -3.799 1.00 0.00 C ATOM 50 NZ LYS A 3 -16.981 -12.016 -4.498 1.00 0.00 N ATOM 0 H LYS A 3 -18.601 -5.453 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.103 -5.986 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.072 -7.803 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.122 -8.006 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.051 -8.552 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.152 -7.988 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.149 -10.385 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.269 -9.810 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.117 -10.144 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.058 -10.865 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.143 -12.546 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.839 -12.560 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.927 -11.861 -5.525 1.00 0.00 H new ATOM 64 N LEU A 4 -15.053 -5.048 -3.911 1.00 0.00 N ATOM 65 CA LEU A 4 -13.922 -4.316 -4.464 1.00 0.00 C ATOM 66 C LEU A 4 -12.621 -4.743 -3.791 1.00 0.00 C ATOM 67 O LEU A 4 -12.542 -4.826 -2.566 1.00 0.00 O ATOM 68 CB LEU A 4 -14.138 -2.811 -4.293 1.00 0.00 C ATOM 69 CG LEU A 4 -14.094 -2.311 -2.846 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.898 -1.398 -2.633 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.387 -1.591 -2.489 1.00 0.00 C ATOM 0 H LEU A 4 -14.967 -5.267 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.848 -4.545 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.377 -2.282 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.104 -2.547 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.989 -3.174 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.883 -1.053 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.980 -1.946 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.972 -0.540 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.337 -1.243 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.524 -0.738 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.228 -2.276 -2.600 1.00 0.00 H new ATOM 83 N GLN A 5 -11.604 -5.027 -4.601 1.00 0.00 N ATOM 84 CA GLN A 5 -10.313 -5.461 -4.082 1.00 0.00 C ATOM 85 C GLN A 5 -9.286 -4.334 -4.113 1.00 0.00 C ATOM 86 O GLN A 5 -9.393 -3.399 -4.907 1.00 0.00 O ATOM 87 CB GLN A 5 -9.792 -6.650 -4.888 1.00 0.00 C ATOM 88 CG GLN A 5 -10.871 -7.656 -5.240 1.00 0.00 C ATOM 89 CD GLN A 5 -10.334 -8.845 -6.012 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.126 -8.986 -6.197 1.00 0.00 O ATOM 91 NE2 GLN A 5 -11.234 -9.708 -6.470 1.00 0.00 N ATOM 0 H GLN A 5 -11.650 -4.964 -5.618 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.461 -5.758 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.333 -6.284 -5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.010 -7.151 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.347 -8.007 -4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.643 -7.163 -5.831 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.226 -9.552 -6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.933 -10.527 -6.998 1.00 0.00 H new ATOM 100 N ILE A 6 -8.291 -4.440 -3.241 1.00 0.00 N ATOM 101 CA ILE A 6 -7.232 -3.452 -3.148 1.00 0.00 C ATOM 102 C ILE A 6 -5.904 -4.127 -2.814 1.00 0.00 C ATOM 103 O ILE A 6 -5.847 -5.024 -1.974 1.00 0.00 O ATOM 104 CB ILE A 6 -7.554 -2.395 -2.078 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.888 -1.719 -2.391 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.438 -1.368 -1.992 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.071 -2.379 -1.717 1.00 0.00 C ATOM 0 H ILE A 6 -8.199 -5.213 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.153 -2.956 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.635 -2.890 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.839 -0.675 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.045 -1.724 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.683 -0.628 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.505 -1.866 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.325 -0.872 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.985 -1.847 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.145 -3.416 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.936 -2.350 -0.636 1.00 0.00 H new ATOM 119 N ALA A 7 -4.839 -3.689 -3.475 1.00 0.00 N ATOM 120 CA ALA A 7 -3.514 -4.248 -3.247 1.00 0.00 C ATOM 121 C ALA A 7 -2.534 -3.151 -2.899 1.00 0.00 C ATOM 122 O ALA A 7 -2.393 -2.198 -3.651 1.00 0.00 O ATOM 123 CB ALA A 7 -3.036 -4.999 -4.479 1.00 0.00 C ATOM 0 H ALA A 7 -4.868 -2.947 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.574 -4.946 -2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.044 -5.411 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.729 -5.810 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.991 -4.316 -5.327 1.00 0.00 H new ATOM 129 N VAL A 8 -1.851 -3.281 -1.774 1.00 0.00 N ATOM 130 CA VAL A 8 -0.885 -2.271 -1.369 1.00 0.00 C ATOM 131 C VAL A 8 0.460 -2.897 -1.032 1.00 0.00 C ATOM 132 O VAL A 8 0.542 -4.071 -0.676 1.00 0.00 O ATOM 133 CB VAL A 8 -1.385 -1.436 -0.161 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.834 -1.765 0.173 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.494 -1.644 1.058 1.00 0.00 C ATOM 0 H VAL A 8 -1.945 -4.067 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.765 -1.602 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.332 -0.385 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.157 -1.165 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.465 -1.544 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.919 -2.823 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.869 -1.046 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.500 -2.698 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.525 -1.337 0.821 1.00 0.00 H new ATOM 145 N GLY A 9 1.508 -2.094 -1.140 1.00 0.00 N ATOM 146 CA GLY A 9 2.839 -2.567 -0.835 1.00 0.00 C ATOM 147 C GLY A 9 3.743 -1.453 -0.355 1.00 0.00 C ATOM 148 O GLY A 9 3.881 -0.429 -1.024 1.00 0.00 O ATOM 0 H GLY A 9 1.458 -1.119 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.782 -3.342 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.272 -3.027 -1.723 1.00 0.00 H new ATOM 152 N ILE A 10 4.372 -1.650 0.797 1.00 0.00 N ATOM 153 CA ILE A 10 5.278 -0.644 1.341 1.00 0.00 C ATOM 154 C ILE A 10 6.635 -0.761 0.660 1.00 0.00 C ATOM 155 O ILE A 10 7.375 -1.712 0.903 1.00 0.00 O ATOM 156 CB ILE A 10 5.464 -0.763 2.877 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.698 -1.963 3.447 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.017 0.520 3.562 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.810 -2.095 4.951 1.00 0.00 C ATOM 0 H ILE A 10 4.274 -2.489 1.369 1.00 0.00 H new ATOM 0 HA ILE A 10 4.828 0.329 1.145 1.00 0.00 H new ATOM 0 HB ILE A 10 6.524 -0.923 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.646 -1.874 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.071 -2.876 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.153 0.424 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.613 1.355 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.965 0.701 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.244 -2.965 5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.857 -2.216 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.410 -1.199 5.426 1.00 0.00 H new ATOM 171 N ILE A 11 6.951 0.201 -0.202 1.00 0.00 N ATOM 172 CA ILE A 11 8.209 0.183 -0.927 1.00 0.00 C ATOM 173 C ILE A 11 9.382 0.481 -0.006 1.00 0.00 C ATOM 174 O ILE A 11 9.418 1.514 0.658 1.00 0.00 O ATOM 175 CB ILE A 11 8.229 1.181 -2.102 1.00 0.00 C ATOM 176 CG1 ILE A 11 7.168 2.271 -1.945 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.052 0.451 -3.425 1.00 0.00 C ATOM 178 CD1 ILE A 11 7.524 3.538 -2.683 1.00 0.00 C ATOM 0 H ILE A 11 6.352 0.999 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 11 8.306 -0.825 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 11 9.203 1.671 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.212 1.898 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.037 2.496 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.069 1.171 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.862 -0.266 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.098 -0.076 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.737 4.277 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.466 3.930 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.627 3.323 -3.747 1.00 0.00 H new ATOM 190 N ARG A 12 10.335 -0.442 0.026 1.00 0.00 N ATOM 191 CA ARG A 12 11.517 -0.304 0.863 1.00 0.00 C ATOM 192 C ARG A 12 12.576 0.556 0.189 1.00 0.00 C ATOM 193 O ARG A 12 13.074 0.218 -0.888 1.00 0.00 O ATOM 194 CB ARG A 12 12.102 -1.678 1.190 1.00 0.00 C ATOM 195 CG ARG A 12 11.778 -2.152 2.596 1.00 0.00 C ATOM 196 CD ARG A 12 12.977 -2.025 3.524 1.00 0.00 C ATOM 197 NE ARG A 12 13.301 -3.292 4.175 1.00 0.00 N ATOM 198 CZ ARG A 12 12.634 -3.781 5.219 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.609 -3.112 5.732 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.994 -4.942 5.750 1.00 0.00 N ATOM 0 H ARG A 12 10.310 -1.301 -0.524 1.00 0.00 H new ATOM 0 HA ARG A 12 11.211 0.188 1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.723 -2.406 0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.184 -1.643 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.947 -1.570 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.452 -3.192 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.840 -1.678 2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.770 -1.270 4.282 1.00 0.00 H new ATOM 0 HE ARG A 12 14.084 -3.834 3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.329 -2.219 5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.102 -3.491 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.781 -5.460 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.484 -5.317 6.550 1.00 0.00 H new ATOM 214 N ASN A 13 12.904 1.664 0.846 1.00 0.00 N ATOM 215 CA ASN A 13 13.905 2.608 0.354 1.00 0.00 C ATOM 216 C ASN A 13 15.320 2.079 0.531 1.00 0.00 C ATOM 217 O ASN A 13 15.539 0.924 0.896 1.00 0.00 O ATOM 218 CB ASN A 13 13.789 3.951 1.062 1.00 0.00 C ATOM 219 CG ASN A 13 14.330 5.107 0.241 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.678 4.943 -0.929 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.408 6.282 0.853 1.00 0.00 N ATOM 0 H ASN A 13 12.484 1.934 1.735 1.00 0.00 H new ATOM 0 HA ASN A 13 13.709 2.738 -0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.742 4.140 1.299 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.327 3.903 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.768 7.095 0.353 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.108 6.372 1.824 1.00 0.00 H new ATOM 228 N GLU A 14 16.266 2.956 0.248 1.00 0.00 N ATOM 229 CA GLU A 14 17.688 2.649 0.339 1.00 0.00 C ATOM 230 C GLU A 14 18.218 2.783 1.772 1.00 0.00 C ATOM 231 O GLU A 14 19.418 2.638 2.007 1.00 0.00 O ATOM 232 CB GLU A 14 18.454 3.593 -0.592 1.00 0.00 C ATOM 233 CG GLU A 14 19.967 3.486 -0.479 1.00 0.00 C ATOM 234 CD GLU A 14 20.685 4.114 -1.658 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.248 5.193 -2.112 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.682 3.528 -2.127 1.00 0.00 O ATOM 0 H GLU A 14 16.071 3.910 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 14 17.835 1.611 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.162 3.386 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.156 4.619 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.294 3.970 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.249 2.436 -0.404 1.00 0.00 H new ATOM 243 N ASN A 15 17.335 3.065 2.727 1.00 0.00 N ATOM 244 CA ASN A 15 17.755 3.219 4.118 1.00 0.00 C ATOM 245 C ASN A 15 16.750 2.587 5.078 1.00 0.00 C ATOM 246 O ASN A 15 16.288 3.231 6.020 1.00 0.00 O ATOM 247 CB ASN A 15 17.936 4.701 4.450 1.00 0.00 C ATOM 248 CG ASN A 15 18.443 4.922 5.863 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.674 5.249 6.767 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.744 4.744 6.058 1.00 0.00 N ATOM 0 H ASN A 15 16.336 3.190 2.567 1.00 0.00 H new ATOM 0 HA ASN A 15 18.707 2.702 4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.636 5.146 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.984 5.217 4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.144 4.878 6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.344 4.473 5.279 1.00 0.00 H new ATOM 257 N ASN A 16 16.414 1.323 4.830 1.00 0.00 N ATOM 258 CA ASN A 16 15.463 0.591 5.668 1.00 0.00 C ATOM 259 C ASN A 16 14.223 1.432 5.977 1.00 0.00 C ATOM 260 O ASN A 16 13.539 1.206 6.975 1.00 0.00 O ATOM 261 CB ASN A 16 16.131 0.139 6.971 1.00 0.00 C ATOM 262 CG ASN A 16 16.504 1.299 7.873 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.617 1.822 7.802 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.573 1.708 8.726 1.00 0.00 N ATOM 0 H ASN A 16 16.788 0.781 4.051 1.00 0.00 H new ATOM 0 HA ASN A 16 15.143 -0.288 5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.457 -0.530 7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.027 -0.434 6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.766 2.485 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.664 1.245 8.750 1.00 0.00 H new ATOM 271 N GLU A 17 13.931 2.385 5.101 1.00 0.00 N ATOM 272 CA GLU A 17 12.767 3.246 5.256 1.00 0.00 C ATOM 273 C GLU A 17 11.865 3.077 4.046 1.00 0.00 C ATOM 274 O GLU A 17 12.343 2.774 2.964 1.00 0.00 O ATOM 275 CB GLU A 17 13.191 4.710 5.403 1.00 0.00 C ATOM 276 CG GLU A 17 14.309 5.122 4.460 1.00 0.00 C ATOM 277 CD GLU A 17 14.892 6.479 4.805 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.393 6.639 5.938 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.847 7.381 3.943 1.00 0.00 O ATOM 0 H GLU A 17 14.489 2.581 4.270 1.00 0.00 H new ATOM 0 HA GLU A 17 12.227 2.962 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.326 5.349 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.512 4.884 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.100 4.372 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.929 5.143 3.439 1.00 0.00 H new ATOM 286 N ILE A 18 10.565 3.246 4.223 1.00 0.00 N ATOM 287 CA ILE A 18 9.633 3.075 3.116 1.00 0.00 C ATOM 288 C ILE A 18 8.966 4.395 2.731 1.00 0.00 C ATOM 289 O ILE A 18 8.611 5.203 3.589 1.00 0.00 O ATOM 290 CB ILE A 18 8.553 2.025 3.461 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.147 0.610 3.474 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.383 2.095 2.486 1.00 0.00 C ATOM 293 CD1 ILE A 18 10.400 0.468 4.313 1.00 0.00 C ATOM 0 H ILE A 18 10.133 3.499 5.112 1.00 0.00 H new ATOM 0 HA ILE A 18 10.212 2.723 2.262 1.00 0.00 H new ATOM 0 HB ILE A 18 8.181 2.255 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.394 -0.084 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.374 0.314 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.640 1.344 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.931 3.086 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.741 1.905 1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.754 -0.562 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.172 1.134 3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.177 0.729 5.347 1.00 0.00 H new ATOM 305 N PHE A 19 8.797 4.594 1.426 1.00 0.00 N ATOM 306 CA PHE A 19 8.169 5.800 0.901 1.00 0.00 C ATOM 307 C PHE A 19 6.663 5.585 0.754 1.00 0.00 C ATOM 308 O PHE A 19 6.204 4.928 -0.181 1.00 0.00 O ATOM 309 CB PHE A 19 8.818 6.176 -0.445 1.00 0.00 C ATOM 310 CG PHE A 19 8.043 7.144 -1.312 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.996 7.905 -0.809 1.00 0.00 C ATOM 312 CD2 PHE A 19 8.372 7.279 -2.651 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.300 8.774 -1.627 1.00 0.00 C ATOM 314 CE2 PHE A 19 7.676 8.145 -3.473 1.00 0.00 C ATOM 315 CZ PHE A 19 6.639 8.893 -2.959 1.00 0.00 C ATOM 0 H PHE A 19 9.089 3.929 0.710 1.00 0.00 H new ATOM 0 HA PHE A 19 8.321 6.626 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.799 6.606 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.981 5.261 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.723 7.817 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.186 6.698 -3.059 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.489 9.361 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.944 8.235 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.093 9.571 -3.598 1.00 0.00 H new ATOM 325 N ILE A 20 5.904 6.155 1.687 1.00 0.00 N ATOM 326 CA ILE A 20 4.455 6.048 1.676 1.00 0.00 C ATOM 327 C ILE A 20 3.831 7.390 1.308 1.00 0.00 C ATOM 328 O ILE A 20 4.486 8.429 1.391 1.00 0.00 O ATOM 329 CB ILE A 20 3.902 5.598 3.049 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.974 5.695 4.139 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.362 4.180 2.963 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.477 5.300 5.513 1.00 0.00 C ATOM 0 H ILE A 20 6.277 6.699 2.465 1.00 0.00 H new ATOM 0 HA ILE A 20 4.193 5.295 0.933 1.00 0.00 H new ATOM 0 HB ILE A 20 3.087 6.270 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.815 5.056 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.350 6.717 4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.977 3.878 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.559 4.140 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.162 3.503 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.289 5.393 6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.656 5.955 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.128 4.268 5.491 1.00 0.00 H new ATOM 344 N THR A 21 2.567 7.368 0.903 1.00 0.00 N ATOM 345 CA THR A 21 1.873 8.593 0.529 1.00 0.00 C ATOM 346 C THR A 21 1.126 9.181 1.723 1.00 0.00 C ATOM 347 O THR A 21 0.146 8.607 2.198 1.00 0.00 O ATOM 348 CB THR A 21 0.895 8.322 -0.613 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.045 7.328 -0.245 1.00 0.00 O ATOM 350 CG2 THR A 21 1.574 7.867 -1.887 1.00 0.00 C ATOM 0 H THR A 21 2.005 6.520 0.826 1.00 0.00 H new ATOM 0 HA THR A 21 2.618 9.315 0.196 1.00 0.00 H new ATOM 0 HB THR A 21 0.403 9.276 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.115 7.289 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.823 7.692 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.267 8.637 -2.225 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.121 6.944 -1.698 1.00 0.00 H new ATOM 358 N ARG A 22 1.591 10.330 2.202 1.00 0.00 N ATOM 359 CA ARG A 22 0.959 10.987 3.340 1.00 0.00 C ATOM 360 C ARG A 22 -0.102 11.978 2.874 1.00 0.00 C ATOM 361 O ARG A 22 0.160 13.176 2.768 1.00 0.00 O ATOM 362 CB ARG A 22 2.009 11.707 4.187 1.00 0.00 C ATOM 363 CG ARG A 22 1.482 12.193 5.527 1.00 0.00 C ATOM 364 CD ARG A 22 2.511 12.011 6.631 1.00 0.00 C ATOM 365 NE ARG A 22 3.710 12.812 6.398 1.00 0.00 N ATOM 366 CZ ARG A 22 3.793 14.115 6.655 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.748 14.769 7.149 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.922 14.768 6.415 1.00 0.00 N ATOM 0 H ARG A 22 2.399 10.823 1.822 1.00 0.00 H new ATOM 0 HA ARG A 22 0.475 10.222 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.849 11.034 4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.393 12.559 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.210 13.246 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.574 11.647 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.069 12.289 7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.786 10.959 6.701 1.00 0.00 H new ATOM 0 HE ARG A 22 4.532 12.345 6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.876 14.273 7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.817 15.768 7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.727 14.271 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.985 15.767 6.612 1.00 0.00 H new ATOM 493 N ASN A 31 -4.139 12.641 8.840 1.00 0.00 N ATOM 494 CA ASN A 31 -4.006 11.391 9.580 1.00 0.00 C ATOM 495 C ASN A 31 -4.430 10.186 8.738 1.00 0.00 C ATOM 496 O ASN A 31 -4.791 9.141 9.279 1.00 0.00 O ATOM 497 CB ASN A 31 -4.843 11.454 10.860 1.00 0.00 C ATOM 498 CG ASN A 31 -3.989 11.565 12.109 1.00 0.00 C ATOM 499 OD1 ASN A 31 -4.286 10.952 13.133 1.00 0.00 O ATOM 500 ND2 ASN A 31 -2.921 12.352 12.029 1.00 0.00 N ATOM 0 HA ASN A 31 -2.954 11.264 9.835 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.517 12.309 10.808 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.465 10.562 10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.310 12.466 12.838 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.712 12.842 11.159 1.00 0.00 H new ATOM 507 N LYS A 32 -4.385 10.332 7.416 1.00 0.00 N ATOM 508 CA LYS A 32 -4.762 9.246 6.515 1.00 0.00 C ATOM 509 C LYS A 32 -3.569 8.752 5.708 1.00 0.00 C ATOM 510 O LYS A 32 -3.724 8.219 4.609 1.00 0.00 O ATOM 511 CB LYS A 32 -5.889 9.684 5.580 1.00 0.00 C ATOM 512 CG LYS A 32 -7.243 9.102 5.950 1.00 0.00 C ATOM 513 CD LYS A 32 -8.364 10.102 5.714 1.00 0.00 C ATOM 514 CE LYS A 32 -9.604 9.427 5.153 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.531 8.983 6.231 1.00 0.00 N ATOM 0 H LYS A 32 -4.092 11.189 6.946 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.118 8.419 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.955 10.772 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.641 9.388 4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.427 8.203 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.237 8.802 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.612 10.600 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.025 10.874 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.124 10.117 4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.309 8.567 4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.364 8.528 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.043 8.305 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.834 9.806 6.790 1.00 0.00 H new ATOM 529 N LEU A 33 -2.383 8.930 6.267 1.00 0.00 N ATOM 530 CA LEU A 33 -1.145 8.506 5.620 1.00 0.00 C ATOM 531 C LEU A 33 -1.285 7.089 5.063 1.00 0.00 C ATOM 532 O LEU A 33 -1.141 6.112 5.793 1.00 0.00 O ATOM 533 CB LEU A 33 0.000 8.566 6.633 1.00 0.00 C ATOM 534 CG LEU A 33 1.406 8.696 6.041 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.457 8.524 7.127 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.621 7.682 4.927 1.00 0.00 C ATOM 0 H LEU A 33 -2.248 9.370 7.177 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.930 9.177 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.173 9.411 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.034 7.665 7.246 1.00 0.00 H new ATOM 0 HG LEU A 33 1.505 9.694 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.451 8.619 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.321 9.291 7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.353 7.538 7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.627 7.794 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.500 6.674 5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.891 7.851 4.136 1.00 0.00 H new ATOM 548 N GLU A 34 -1.579 6.983 3.770 1.00 0.00 N ATOM 549 CA GLU A 34 -1.751 5.677 3.136 1.00 0.00 C ATOM 550 C GLU A 34 -0.620 5.370 2.161 1.00 0.00 C ATOM 551 O GLU A 34 0.275 6.187 1.946 1.00 0.00 O ATOM 552 CB GLU A 34 -3.100 5.610 2.418 1.00 0.00 C ATOM 553 CG GLU A 34 -3.704 4.215 2.387 1.00 0.00 C ATOM 554 CD GLU A 34 -3.755 3.632 0.988 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.304 4.298 0.086 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.245 2.508 0.794 1.00 0.00 O ATOM 0 H GLU A 34 -1.703 7.779 3.144 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.725 4.922 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.798 6.288 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.976 5.966 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.120 3.556 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.713 4.251 2.799 1.00 0.00 H new ATOM 563 N PHE A 35 -0.663 4.172 1.585 1.00 0.00 N ATOM 564 CA PHE A 35 0.362 3.732 0.643 1.00 0.00 C ATOM 565 C PHE A 35 -0.226 3.416 -0.734 1.00 0.00 C ATOM 566 O PHE A 35 -1.426 3.179 -0.874 1.00 0.00 O ATOM 567 CB PHE A 35 1.094 2.492 1.182 1.00 0.00 C ATOM 568 CG PHE A 35 0.441 1.862 2.386 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.830 1.319 2.296 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.099 1.817 3.604 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.433 0.744 3.398 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.501 1.243 4.710 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.767 0.705 4.607 1.00 0.00 C ATOM 0 H PHE A 35 -1.399 3.487 1.755 1.00 0.00 H new ATOM 0 HA PHE A 35 1.068 4.555 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.159 1.749 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.115 2.771 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.356 1.345 1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.091 2.235 3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.425 0.325 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.025 1.215 5.654 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.236 0.255 5.470 1.00 0.00 H new ATOM 583 N PRO A 36 0.639 3.379 -1.764 1.00 0.00 N ATOM 584 CA PRO A 36 0.250 3.055 -3.143 1.00 0.00 C ATOM 585 C PRO A 36 -0.456 1.707 -3.225 1.00 0.00 C ATOM 586 O PRO A 36 -0.458 0.946 -2.257 1.00 0.00 O ATOM 587 CB PRO A 36 1.578 3.013 -3.909 1.00 0.00 C ATOM 588 CG PRO A 36 2.632 2.901 -2.862 1.00 0.00 C ATOM 589 CD PRO A 36 2.088 3.615 -1.658 1.00 0.00 C ATOM 0 HA PRO A 36 -0.453 3.783 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.611 2.165 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.714 3.912 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.847 1.857 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.566 3.353 -3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.496 3.213 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.327 4.678 -1.677 1.00 0.00 H new ATOM 597 N GLY A 37 -1.061 1.410 -4.372 1.00 0.00 N ATOM 598 CA GLY A 37 -1.759 0.144 -4.514 1.00 0.00 C ATOM 599 C GLY A 37 -3.265 0.257 -4.409 1.00 0.00 C ATOM 600 O GLY A 37 -3.900 -0.357 -3.552 1.00 0.00 O ATOM 0 H GLY A 37 -1.081 2.013 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.504 -0.294 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.402 -0.544 -3.748 1.00 0.00 H new ATOM 604 N GLY A 38 -3.818 1.044 -5.305 1.00 0.00 N ATOM 605 CA GLY A 38 -5.252 1.256 -5.361 1.00 0.00 C ATOM 606 C GLY A 38 -5.786 1.183 -6.784 1.00 0.00 C ATOM 607 O GLY A 38 -5.346 1.946 -7.645 1.00 0.00 O ATOM 0 H GLY A 38 -3.291 1.554 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.753 0.507 -4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.491 2.230 -4.934 1.00 0.00 H new ATOM 611 N LYS A 39 -6.733 0.262 -7.025 1.00 0.00 N ATOM 612 CA LYS A 39 -7.352 0.064 -8.347 1.00 0.00 C ATOM 613 C LYS A 39 -6.967 -1.286 -8.951 1.00 0.00 C ATOM 614 O LYS A 39 -7.491 -1.673 -9.996 1.00 0.00 O ATOM 615 CB LYS A 39 -6.993 1.183 -9.330 1.00 0.00 C ATOM 616 CG LYS A 39 -7.771 1.112 -10.634 1.00 0.00 C ATOM 617 CD LYS A 39 -8.576 2.380 -10.877 1.00 0.00 C ATOM 618 CE LYS A 39 -9.801 2.442 -9.979 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.521 3.165 -8.707 1.00 0.00 N ATOM 0 H LYS A 39 -7.092 -0.368 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.429 0.086 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.179 2.147 -8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.926 1.136 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.080 0.955 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.442 0.253 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.947 3.252 -10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.886 2.421 -11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.614 2.939 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.138 1.430 -9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.336 3.763 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.354 2.476 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.677 3.761 -8.825 1.00 0.00 H new ATOM 633 N ILE A 40 -6.055 -2.000 -8.292 1.00 0.00 N ATOM 634 CA ILE A 40 -5.610 -3.314 -8.769 1.00 0.00 C ATOM 635 C ILE A 40 -6.785 -4.155 -9.244 1.00 0.00 C ATOM 636 O ILE A 40 -6.823 -4.614 -10.386 1.00 0.00 O ATOM 637 CB ILE A 40 -4.850 -4.101 -7.677 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.057 -5.611 -7.846 1.00 0.00 C ATOM 639 CG2 ILE A 40 -5.293 -3.657 -6.298 1.00 0.00 C ATOM 640 CD1 ILE A 40 -4.179 -6.452 -6.951 1.00 0.00 C ATOM 0 H ILE A 40 -5.609 -1.693 -7.427 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.934 -3.121 -9.602 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.786 -3.890 -7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.101 -5.850 -7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.865 -5.880 -8.885 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.748 -4.221 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.088 -2.593 -6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.362 -3.836 -6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.384 -7.508 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.132 -6.244 -7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.387 -6.213 -5.908 1.00 0.00 H new ATOM 652 N GLU A 41 -7.722 -4.347 -8.331 1.00 0.00 N ATOM 653 CA GLU A 41 -8.934 -5.135 -8.566 1.00 0.00 C ATOM 654 C GLU A 41 -9.235 -5.306 -10.054 1.00 0.00 C ATOM 655 O GLU A 41 -8.955 -6.357 -10.630 1.00 0.00 O ATOM 656 CB GLU A 41 -10.123 -4.482 -7.852 1.00 0.00 C ATOM 657 CG GLU A 41 -10.106 -2.957 -7.881 1.00 0.00 C ATOM 658 CD GLU A 41 -11.359 -2.366 -8.498 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.400 -2.328 -7.808 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.299 -1.940 -9.671 1.00 0.00 O ATOM 0 H GLU A 41 -7.667 -3.957 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.764 -6.132 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.047 -4.833 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.137 -4.815 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.995 -2.580 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.236 -2.619 -8.443 1.00 0.00 H new ATOM 667 N MET A 42 -9.794 -4.267 -10.668 1.00 0.00 N ATOM 668 CA MET A 42 -10.128 -4.290 -12.094 1.00 0.00 C ATOM 669 C MET A 42 -10.708 -5.645 -12.521 1.00 0.00 C ATOM 670 O MET A 42 -11.914 -5.869 -12.418 1.00 0.00 O ATOM 671 CB MET A 42 -8.892 -3.948 -12.931 1.00 0.00 C ATOM 672 CG MET A 42 -8.493 -2.483 -12.859 1.00 0.00 C ATOM 673 SD MET A 42 -9.436 -1.450 -13.997 1.00 0.00 S ATOM 674 CE MET A 42 -10.806 -0.959 -12.954 1.00 0.00 C ATOM 0 H MET A 42 -10.028 -3.392 -10.199 1.00 0.00 H new ATOM 0 HA MET A 42 -10.897 -3.537 -12.268 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.055 -4.560 -12.595 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.083 -4.213 -13.971 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.637 -2.121 -11.841 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.431 -2.388 -13.084 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.058 0.083 -13.151 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.670 -1.588 -13.168 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.525 -1.073 -11.907 1.00 0.00 H new ATOM 684 N GLY A 43 -9.847 -6.546 -13.002 1.00 0.00 N ATOM 685 CA GLY A 43 -10.312 -7.853 -13.433 1.00 0.00 C ATOM 686 C GLY A 43 -9.184 -8.817 -13.756 1.00 0.00 C ATOM 687 O GLY A 43 -9.376 -9.783 -14.495 1.00 0.00 O ATOM 0 H GLY A 43 -8.843 -6.393 -13.099 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.936 -8.285 -12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.942 -7.734 -14.314 1.00 0.00 H new ATOM 691 N GLU A 44 -8.011 -8.554 -13.204 1.00 0.00 N ATOM 692 CA GLU A 44 -6.844 -9.401 -13.434 1.00 0.00 C ATOM 693 C GLU A 44 -6.908 -10.663 -12.571 1.00 0.00 C ATOM 694 O GLU A 44 -7.979 -11.045 -12.100 1.00 0.00 O ATOM 695 CB GLU A 44 -5.561 -8.619 -13.145 1.00 0.00 C ATOM 696 CG GLU A 44 -4.605 -8.560 -14.326 1.00 0.00 C ATOM 697 CD GLU A 44 -4.018 -7.178 -14.533 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.056 -6.368 -13.584 1.00 0.00 O ATOM 699 OE2 GLU A 44 -3.520 -6.905 -15.647 1.00 0.00 O ATOM 0 H GLU A 44 -7.838 -7.758 -12.590 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.841 -9.707 -14.480 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.823 -7.603 -12.850 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.050 -9.076 -12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.797 -9.274 -14.170 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.131 -8.866 -15.230 1.00 0.00 H new ATOM 706 N THR A 45 -5.759 -11.308 -12.363 1.00 0.00 N ATOM 707 CA THR A 45 -5.701 -12.517 -11.554 1.00 0.00 C ATOM 708 C THR A 45 -5.087 -12.214 -10.193 1.00 0.00 C ATOM 709 O THR A 45 -4.317 -11.267 -10.052 1.00 0.00 O ATOM 710 CB THR A 45 -4.879 -13.595 -12.273 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.525 -13.172 -13.578 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.604 -14.917 -12.403 1.00 0.00 C ATOM 0 H THR A 45 -4.861 -11.011 -12.744 1.00 0.00 H new ATOM 0 HA THR A 45 -6.716 -12.886 -11.406 1.00 0.00 H new ATOM 0 HB THR A 45 -3.996 -13.742 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.000 -13.873 -14.018 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.965 -15.633 -12.921 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.846 -15.298 -11.411 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.523 -14.774 -12.971 1.00 0.00 H new ATOM 720 N PRO A 46 -5.409 -13.016 -9.165 1.00 0.00 N ATOM 721 CA PRO A 46 -4.875 -12.828 -7.817 1.00 0.00 C ATOM 722 C PRO A 46 -3.375 -12.533 -7.819 1.00 0.00 C ATOM 723 O PRO A 46 -2.853 -11.925 -6.885 1.00 0.00 O ATOM 724 CB PRO A 46 -5.163 -14.170 -7.117 1.00 0.00 C ATOM 725 CG PRO A 46 -5.722 -15.072 -8.172 1.00 0.00 C ATOM 726 CD PRO A 46 -6.306 -14.172 -9.220 1.00 0.00 C ATOM 0 HA PRO A 46 -5.330 -11.972 -7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.253 -14.589 -6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.872 -14.040 -6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.944 -15.708 -8.594 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.483 -15.733 -7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.308 -14.640 -10.204 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.337 -13.899 -8.995 1.00 0.00 H new ATOM 734 N GLU A 47 -2.687 -12.975 -8.869 1.00 0.00 N ATOM 735 CA GLU A 47 -1.249 -12.762 -8.983 1.00 0.00 C ATOM 736 C GLU A 47 -0.917 -11.585 -9.903 1.00 0.00 C ATOM 737 O GLU A 47 -0.116 -10.721 -9.546 1.00 0.00 O ATOM 738 CB GLU A 47 -0.568 -14.030 -9.501 1.00 0.00 C ATOM 739 CG GLU A 47 -0.163 -14.996 -8.399 1.00 0.00 C ATOM 740 CD GLU A 47 1.201 -15.614 -8.639 1.00 0.00 C ATOM 741 OE1 GLU A 47 2.086 -14.912 -9.168 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.382 -16.802 -8.295 1.00 0.00 O ATOM 0 H GLU A 47 -3.102 -13.482 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.875 -12.524 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.242 -14.539 -10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.318 -13.750 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.157 -14.470 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.908 -15.788 -8.322 1.00 0.00 H new ATOM 749 N GLN A 48 -1.523 -11.556 -11.089 1.00 0.00 N ATOM 750 CA GLN A 48 -1.267 -10.483 -12.047 1.00 0.00 C ATOM 751 C GLN A 48 -2.065 -9.225 -11.715 1.00 0.00 C ATOM 752 O GLN A 48 -1.910 -8.194 -12.369 1.00 0.00 O ATOM 753 CB GLN A 48 -1.599 -10.949 -13.465 1.00 0.00 C ATOM 754 CG GLN A 48 -0.494 -11.765 -14.113 1.00 0.00 C ATOM 755 CD GLN A 48 -1.025 -12.788 -15.099 1.00 0.00 C ATOM 756 OE1 GLN A 48 -1.706 -12.441 -16.064 1.00 0.00 O ATOM 757 NE2 GLN A 48 -0.715 -14.056 -14.861 1.00 0.00 N ATOM 0 H GLN A 48 -2.190 -12.259 -11.408 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.208 -10.234 -11.984 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.511 -11.545 -13.438 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.807 -10.077 -14.085 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.194 -11.094 -14.627 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.078 -12.276 -13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.148 -14.299 -14.049 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.044 -14.788 -15.490 1.00 0.00 H new ATOM 766 N ALA A 49 -2.923 -9.311 -10.706 1.00 0.00 N ATOM 767 CA ALA A 49 -3.740 -8.178 -10.308 1.00 0.00 C ATOM 768 C ALA A 49 -2.875 -7.046 -9.765 1.00 0.00 C ATOM 769 O ALA A 49 -2.905 -5.930 -10.286 1.00 0.00 O ATOM 770 CB ALA A 49 -4.777 -8.617 -9.286 1.00 0.00 C ATOM 0 H ALA A 49 -3.069 -10.154 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.262 -7.798 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.385 -7.761 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.417 -9.384 -9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.274 -9.022 -8.408 1.00 0.00 H new ATOM 776 N VAL A 50 -2.092 -7.334 -8.730 1.00 0.00 N ATOM 777 CA VAL A 50 -1.213 -6.320 -8.151 1.00 0.00 C ATOM 778 C VAL A 50 0.040 -6.144 -9.001 1.00 0.00 C ATOM 779 O VAL A 50 0.472 -5.023 -9.253 1.00 0.00 O ATOM 780 CB VAL A 50 -0.795 -6.632 -6.691 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.734 -8.127 -6.428 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.542 -5.976 -6.367 1.00 0.00 C ATOM 0 H VAL A 50 -2.047 -8.248 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.793 -5.397 -8.137 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.560 -6.216 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.437 -8.303 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.715 -8.568 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.005 -8.585 -7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.820 -6.205 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.307 -6.357 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.456 -4.896 -6.487 1.00 0.00 H new ATOM 792 N VAL A 51 0.626 -7.255 -9.432 1.00 0.00 N ATOM 793 CA VAL A 51 1.836 -7.208 -10.243 1.00 0.00 C ATOM 794 C VAL A 51 1.660 -6.257 -11.419 1.00 0.00 C ATOM 795 O VAL A 51 2.593 -5.558 -11.813 1.00 0.00 O ATOM 796 CB VAL A 51 2.227 -8.607 -10.766 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.512 -8.540 -11.578 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.373 -9.587 -9.611 1.00 0.00 C ATOM 0 H VAL A 51 0.284 -8.196 -9.234 1.00 0.00 H new ATOM 0 HA VAL A 51 2.638 -6.845 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 51 1.430 -8.962 -11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.768 -9.537 -11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.370 -7.874 -12.429 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.319 -8.161 -10.951 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.649 -10.568 -9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.148 -9.235 -8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.427 -9.662 -9.075 1.00 0.00 H new ATOM 808 N ARG A 52 0.453 -6.228 -11.969 1.00 0.00 N ATOM 809 CA ARG A 52 0.155 -5.351 -13.091 1.00 0.00 C ATOM 810 C ARG A 52 -0.072 -3.920 -12.615 1.00 0.00 C ATOM 811 O ARG A 52 0.500 -2.976 -13.158 1.00 0.00 O ATOM 812 CB ARG A 52 -1.071 -5.854 -13.854 1.00 0.00 C ATOM 813 CG ARG A 52 -1.226 -5.234 -15.233 1.00 0.00 C ATOM 814 CD ARG A 52 -0.682 -6.149 -16.319 1.00 0.00 C ATOM 815 NE ARG A 52 -0.993 -5.654 -17.659 1.00 0.00 N ATOM 816 CZ ARG A 52 -0.966 -6.412 -18.754 1.00 0.00 C ATOM 817 NH1 ARG A 52 -0.641 -7.696 -18.673 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.263 -5.883 -19.932 1.00 0.00 N ATOM 0 H ARG A 52 -0.332 -6.800 -11.657 1.00 0.00 H new ATOM 0 HA ARG A 52 1.013 -5.359 -13.763 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.005 -6.937 -13.957 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.965 -5.643 -13.267 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.279 -5.027 -15.424 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.702 -4.279 -15.265 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.398 -6.241 -16.208 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.101 -7.148 -16.195 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.245 -4.671 -17.761 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.410 -8.108 -17.769 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.622 -8.271 -19.515 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.512 -4.896 -20.000 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.243 -6.463 -20.771 1.00 0.00 H new ATOM 832 N GLU A 53 -0.912 -3.769 -11.596 1.00 0.00 N ATOM 833 CA GLU A 53 -1.219 -2.457 -11.041 1.00 0.00 C ATOM 834 C GLU A 53 0.014 -1.838 -10.392 1.00 0.00 C ATOM 835 O GLU A 53 0.110 -0.618 -10.260 1.00 0.00 O ATOM 836 CB GLU A 53 -2.348 -2.568 -10.016 1.00 0.00 C ATOM 837 CG GLU A 53 -2.999 -1.236 -9.682 1.00 0.00 C ATOM 838 CD GLU A 53 -4.061 -0.837 -10.687 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.663 -1.742 -11.303 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.291 0.377 -10.857 1.00 0.00 O ATOM 0 H GLU A 53 -1.393 -4.542 -11.137 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.540 -1.810 -11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.109 -3.249 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.955 -3.010 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.447 -1.293 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.233 -0.462 -9.642 1.00 0.00 H new ATOM 847 N LEU A 54 0.959 -2.685 -9.989 1.00 0.00 N ATOM 848 CA LEU A 54 2.185 -2.214 -9.355 1.00 0.00 C ATOM 849 C LEU A 54 2.883 -1.193 -10.240 1.00 0.00 C ATOM 850 O LEU A 54 3.317 -0.142 -9.770 1.00 0.00 O ATOM 851 CB LEU A 54 3.119 -3.390 -9.067 1.00 0.00 C ATOM 852 CG LEU A 54 3.665 -3.449 -7.640 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.539 -3.291 -6.625 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.415 -4.752 -7.419 1.00 0.00 C ATOM 0 H LEU A 54 0.898 -3.698 -10.091 1.00 0.00 H new ATOM 0 HA LEU A 54 1.924 -1.735 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.585 -4.317 -9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.959 -3.345 -9.760 1.00 0.00 H new ATOM 0 HG LEU A 54 4.361 -2.622 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.949 -3.336 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.047 -2.330 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.814 -4.094 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.799 -4.782 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.739 -5.592 -7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.246 -4.817 -8.122 1.00 0.00 H new ATOM 866 N GLN A 55 2.962 -1.497 -11.530 1.00 0.00 N ATOM 867 CA GLN A 55 3.581 -0.585 -12.480 1.00 0.00 C ATOM 868 C GLN A 55 2.808 0.728 -12.496 1.00 0.00 C ATOM 869 O GLN A 55 3.374 1.799 -12.712 1.00 0.00 O ATOM 870 CB GLN A 55 3.609 -1.205 -13.880 1.00 0.00 C ATOM 871 CG GLN A 55 5.013 -1.456 -14.405 1.00 0.00 C ATOM 872 CD GLN A 55 5.801 -2.411 -13.529 1.00 0.00 C ATOM 873 OE1 GLN A 55 6.933 -2.125 -13.141 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.202 -3.554 -13.214 1.00 0.00 N ATOM 0 H GLN A 55 2.608 -2.362 -11.939 1.00 0.00 H new ATOM 0 HA GLN A 55 4.610 -0.394 -12.174 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.063 -2.148 -13.862 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.084 -0.546 -14.571 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.952 -1.861 -15.415 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.546 -0.508 -14.474 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.262 -3.749 -13.558 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.682 -4.237 -12.628 1.00 0.00 H new ATOM 883 N GLU A 56 1.504 0.627 -12.248 1.00 0.00 N ATOM 884 CA GLU A 56 0.633 1.793 -12.213 1.00 0.00 C ATOM 885 C GLU A 56 0.796 2.556 -10.904 1.00 0.00 C ATOM 886 O GLU A 56 0.499 3.747 -10.834 1.00 0.00 O ATOM 887 CB GLU A 56 -0.826 1.368 -12.382 1.00 0.00 C ATOM 888 CG GLU A 56 -1.644 2.322 -13.237 1.00 0.00 C ATOM 889 CD GLU A 56 -2.470 3.286 -12.409 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.804 2.945 -11.254 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.784 4.385 -12.915 1.00 0.00 O ATOM 0 H GLU A 56 1.028 -0.257 -12.068 1.00 0.00 H new ATOM 0 HA GLU A 56 0.916 2.450 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.857 0.375 -12.830 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.288 1.288 -11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.975 2.887 -13.885 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.305 1.747 -13.885 1.00 0.00 H new ATOM 898 N GLU A 57 1.252 1.862 -9.862 1.00 0.00 N ATOM 899 CA GLU A 57 1.431 2.489 -8.556 1.00 0.00 C ATOM 900 C GLU A 57 2.908 2.706 -8.224 1.00 0.00 C ATOM 901 O GLU A 57 3.243 3.190 -7.143 1.00 0.00 O ATOM 902 CB GLU A 57 0.770 1.638 -7.473 1.00 0.00 C ATOM 903 CG GLU A 57 -0.691 1.334 -7.756 1.00 0.00 C ATOM 904 CD GLU A 57 -1.596 2.522 -7.490 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.364 3.230 -6.488 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.533 2.744 -8.283 1.00 0.00 O ATOM 0 H GLU A 57 1.502 0.874 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 57 0.955 3.469 -8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.316 0.700 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.848 2.155 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.799 1.025 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.010 0.494 -7.139 1.00 0.00 H new ATOM 913 N VAL A 58 3.785 2.375 -9.167 1.00 0.00 N ATOM 914 CA VAL A 58 5.216 2.566 -8.981 1.00 0.00 C ATOM 915 C VAL A 58 5.819 3.185 -10.227 1.00 0.00 C ATOM 916 O VAL A 58 6.623 4.114 -10.154 1.00 0.00 O ATOM 917 CB VAL A 58 5.948 1.244 -8.678 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.397 1.509 -8.305 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.249 0.480 -7.570 1.00 0.00 C ATOM 0 H VAL A 58 3.527 1.973 -10.068 1.00 0.00 H new ATOM 0 HA VAL A 58 5.342 3.227 -8.124 1.00 0.00 H new ATOM 0 HB VAL A 58 5.927 0.632 -9.580 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.897 0.564 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.900 2.009 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.435 2.144 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.785 -0.449 -7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.232 1.086 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.227 0.253 -7.873 1.00 0.00 H new ATOM 929 N GLY A 59 5.410 2.658 -11.377 1.00 0.00 N ATOM 930 CA GLY A 59 5.893 3.155 -12.645 1.00 0.00 C ATOM 931 C GLY A 59 7.338 2.802 -12.915 1.00 0.00 C ATOM 932 O GLY A 59 7.696 2.398 -14.021 1.00 0.00 O ATOM 0 H GLY A 59 4.745 1.888 -11.449 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.272 2.752 -13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.780 4.239 -12.669 1.00 0.00 H new ATOM 936 N ILE A 60 8.160 2.961 -11.902 1.00 0.00 N ATOM 937 CA ILE A 60 9.577 2.669 -12.004 1.00 0.00 C ATOM 938 C ILE A 60 9.838 1.172 -11.934 1.00 0.00 C ATOM 939 O ILE A 60 8.909 0.366 -11.891 1.00 0.00 O ATOM 940 CB ILE A 60 10.399 3.356 -10.891 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.574 3.605 -9.631 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.005 4.656 -11.396 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.373 3.425 -8.356 1.00 0.00 C ATOM 0 H ILE A 60 7.868 3.296 -10.984 1.00 0.00 H new ATOM 0 HA ILE A 60 9.893 3.060 -12.971 1.00 0.00 H new ATOM 0 HB ILE A 60 11.203 2.672 -10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.171 4.617 -9.661 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.723 2.924 -9.620 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.580 5.124 -10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.661 4.447 -12.241 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.209 5.330 -11.713 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.732 3.616 -7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.754 2.405 -8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.209 4.125 -8.348 1.00 0.00 H new ATOM 955 N THR A 61 11.116 0.814 -11.929 1.00 0.00 N ATOM 956 CA THR A 61 11.533 -0.565 -11.868 1.00 0.00 C ATOM 957 C THR A 61 12.218 -0.849 -10.537 1.00 0.00 C ATOM 958 O THR A 61 13.430 -0.677 -10.410 1.00 0.00 O ATOM 959 CB THR A 61 12.507 -0.811 -13.002 1.00 0.00 C ATOM 960 OG1 THR A 61 13.284 0.350 -13.247 1.00 0.00 O ATOM 961 CG2 THR A 61 11.831 -1.188 -14.298 1.00 0.00 C ATOM 0 H THR A 61 11.888 1.480 -11.967 1.00 0.00 H new ATOM 0 HA THR A 61 10.667 -1.220 -11.957 1.00 0.00 H new ATOM 0 HB THR A 61 13.128 -1.647 -12.679 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.910 0.176 -13.981 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.585 -1.350 -15.068 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.255 -2.103 -14.156 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.163 -0.384 -14.608 1.00 0.00 H new ATOM 969 N PRO A 62 11.453 -1.244 -9.509 1.00 0.00 N ATOM 970 CA PRO A 62 11.978 -1.497 -8.187 1.00 0.00 C ATOM 971 C PRO A 62 12.013 -2.964 -7.804 1.00 0.00 C ATOM 972 O PRO A 62 11.124 -3.729 -8.179 1.00 0.00 O ATOM 973 CB PRO A 62 10.907 -0.802 -7.364 1.00 0.00 C ATOM 974 CG PRO A 62 9.634 -1.191 -8.050 1.00 0.00 C ATOM 975 CD PRO A 62 9.991 -1.422 -9.504 1.00 0.00 C ATOM 0 HA PRO A 62 13.010 -1.167 -8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.921 -1.133 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.045 0.279 -7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.212 -2.092 -7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.884 -0.406 -7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.703 -2.419 -9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.494 -0.709 -10.162 1.00 0.00 H new ATOM 983 N GLN A 63 12.994 -3.345 -6.991 1.00 0.00 N ATOM 984 CA GLN A 63 13.046 -4.708 -6.509 1.00 0.00 C ATOM 985 C GLN A 63 11.963 -4.819 -5.460 1.00 0.00 C ATOM 986 O GLN A 63 12.206 -4.698 -4.260 1.00 0.00 O ATOM 987 CB GLN A 63 14.413 -5.027 -5.917 1.00 0.00 C ATOM 988 CG GLN A 63 15.454 -5.343 -6.973 1.00 0.00 C ATOM 989 CD GLN A 63 16.767 -5.835 -6.388 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.147 -5.296 -5.235 1.00 0.00 O flip ATOM 991 NE2 GLN A 63 17.432 -6.692 -6.969 1.00 0.00 N flip ATOM 0 H GLN A 63 13.745 -2.739 -6.662 1.00 0.00 H new ATOM 0 HA GLN A 63 12.889 -5.421 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.752 -4.179 -5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.321 -5.876 -5.239 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.058 -6.101 -7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.641 -4.450 -7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.103 -7.080 -7.853 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.312 -7.014 -6.566 1.00 0.00 H new ATOM 1000 N HIS A 64 10.752 -4.982 -5.955 1.00 0.00 N ATOM 1001 CA HIS A 64 9.569 -5.035 -5.120 1.00 0.00 C ATOM 1002 C HIS A 64 8.801 -6.324 -5.359 1.00 0.00 C ATOM 1003 O HIS A 64 8.492 -6.669 -6.500 1.00 0.00 O ATOM 1004 CB HIS A 64 8.715 -3.810 -5.459 1.00 0.00 C ATOM 1005 CG HIS A 64 7.263 -3.905 -5.080 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.773 -4.792 -4.145 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.191 -3.212 -5.530 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.464 -4.643 -4.042 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.086 -3.689 -4.870 1.00 0.00 N ATOM 0 H HIS A 64 10.560 -5.082 -6.952 1.00 0.00 H new ATOM 0 HA HIS A 64 9.842 -5.022 -4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.146 -2.941 -4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.781 -3.629 -6.532 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.334 -5.459 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.203 -2.428 -6.272 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.814 -5.207 -3.390 1.00 0.00 H new ATOM 1018 N PHE A 65 8.509 -7.042 -4.281 1.00 0.00 N ATOM 1019 CA PHE A 65 7.797 -8.302 -4.391 1.00 0.00 C ATOM 1020 C PHE A 65 7.574 -8.939 -3.025 1.00 0.00 C ATOM 1021 O PHE A 65 8.127 -8.492 -2.027 1.00 0.00 O ATOM 1022 CB PHE A 65 8.614 -9.244 -5.249 1.00 0.00 C ATOM 1023 CG PHE A 65 7.795 -10.259 -5.995 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.683 -9.866 -6.722 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.138 -11.601 -5.972 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.927 -10.793 -7.413 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.384 -12.533 -6.662 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.278 -12.127 -7.383 1.00 0.00 C ATOM 0 H PHE A 65 8.754 -6.773 -3.328 1.00 0.00 H new ATOM 0 HA PHE A 65 6.821 -8.112 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.189 -8.659 -5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.331 -9.766 -4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.404 -8.823 -6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.002 -11.923 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.062 -10.474 -7.976 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.660 -13.577 -6.637 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.688 -12.853 -7.923 1.00 0.00 H new ATOM 1038 N SER A 66 6.770 -10.002 -2.996 1.00 0.00 N ATOM 1039 CA SER A 66 6.473 -10.725 -1.761 1.00 0.00 C ATOM 1040 C SER A 66 5.398 -10.005 -0.960 1.00 0.00 C ATOM 1041 O SER A 66 5.202 -8.799 -1.112 1.00 0.00 O ATOM 1042 CB SER A 66 7.735 -10.898 -0.908 1.00 0.00 C ATOM 1043 OG SER A 66 7.760 -12.172 -0.287 1.00 0.00 O ATOM 0 H SER A 66 6.309 -10.384 -3.822 1.00 0.00 H new ATOM 0 HA SER A 66 6.103 -11.713 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.620 -10.777 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.773 -10.118 -0.147 1.00 0.00 H new ATOM 0 HG SER A 66 8.575 -12.258 0.250 1.00 0.00 H new ATOM 1049 N LEU A 67 4.698 -10.751 -0.114 1.00 0.00 N ATOM 1050 CA LEU A 67 3.638 -10.175 0.700 1.00 0.00 C ATOM 1051 C LEU A 67 3.956 -10.284 2.188 1.00 0.00 C ATOM 1052 O LEU A 67 4.281 -11.361 2.688 1.00 0.00 O ATOM 1053 CB LEU A 67 2.299 -10.856 0.393 1.00 0.00 C ATOM 1054 CG LEU A 67 2.066 -12.194 1.101 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.290 -11.986 2.391 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.331 -13.161 0.184 1.00 0.00 C ATOM 0 H LEU A 67 4.845 -11.751 0.025 1.00 0.00 H new ATOM 0 HA LEU A 67 3.564 -9.117 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.493 -10.175 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.230 -11.017 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 67 3.035 -12.626 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.134 -12.947 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.854 -11.329 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.325 -11.532 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.174 -14.106 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.367 -12.736 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.925 -13.334 -0.713 1.00 0.00 H new ATOM 1068 N PHE A 68 3.847 -9.162 2.890 1.00 0.00 N ATOM 1069 CA PHE A 68 4.107 -9.134 4.322 1.00 0.00 C ATOM 1070 C PHE A 68 2.921 -9.732 5.073 1.00 0.00 C ATOM 1071 O PHE A 68 3.083 -10.590 5.942 1.00 0.00 O ATOM 1072 CB PHE A 68 4.387 -7.692 4.781 1.00 0.00 C ATOM 1073 CG PHE A 68 3.374 -7.127 5.744 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.216 -6.523 5.280 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.586 -7.195 7.111 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.290 -5.997 6.161 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.662 -6.673 7.997 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.514 -6.072 7.521 1.00 0.00 C ATOM 0 H PHE A 68 3.581 -8.262 2.491 1.00 0.00 H new ATOM 0 HA PHE A 68 4.990 -9.734 4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.371 -7.659 5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.431 -7.048 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.035 -6.463 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.484 -7.661 7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.392 -5.528 5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.838 -6.735 9.061 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.792 -5.661 8.212 1.00 0.00 H new ATOM 1088 N GLU A 69 1.727 -9.273 4.715 1.00 0.00 N ATOM 1089 CA GLU A 69 0.494 -9.751 5.327 1.00 0.00 C ATOM 1090 C GLU A 69 -0.714 -9.202 4.575 1.00 0.00 C ATOM 1091 O GLU A 69 -0.789 -8.009 4.300 1.00 0.00 O ATOM 1092 CB GLU A 69 0.434 -9.341 6.800 1.00 0.00 C ATOM 1093 CG GLU A 69 0.783 -10.470 7.756 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.306 -10.732 8.779 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -1.468 -10.352 8.523 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.004 -11.318 9.838 1.00 0.00 O ATOM 0 H GLU A 69 1.587 -8.563 3.996 1.00 0.00 H new ATOM 0 HA GLU A 69 0.477 -10.839 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.119 -8.510 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.568 -8.979 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.965 -11.380 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.711 -10.228 8.274 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.659 -10.072 4.244 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.856 -9.652 3.523 1.00 0.00 C ATOM 1105 C LYS A 70 -4.115 -10.035 4.297 1.00 0.00 C ATOM 1106 O LYS A 70 -4.250 -11.169 4.758 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.882 -10.276 2.121 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.218 -11.761 2.104 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.090 -12.597 2.686 1.00 0.00 C ATOM 1110 CE LYS A 70 -1.864 -13.866 1.882 1.00 0.00 C ATOM 1111 NZ LYS A 70 -1.240 -14.941 2.701 1.00 0.00 N ATOM 0 H LYS A 70 -1.622 -11.068 4.461 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.832 -8.567 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.612 -9.743 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.909 -10.130 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.131 -11.934 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.416 -12.078 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.172 -12.009 2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.324 -12.856 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.816 -14.219 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.225 -13.645 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.103 -15.789 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.319 -14.615 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.861 -15.171 3.503 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.036 -9.086 4.440 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.280 -9.339 5.160 1.00 0.00 C ATOM 1127 C LEU A 71 -7.494 -8.969 4.311 1.00 0.00 C ATOM 1128 O LEU A 71 -7.378 -8.241 3.325 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.296 -8.579 6.498 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.675 -7.092 6.434 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -5.935 -6.385 5.311 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -8.179 -6.927 6.274 1.00 0.00 C ATOM 0 H LEU A 71 -4.945 -8.140 4.069 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.335 -10.407 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.994 -9.081 7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.307 -8.660 6.949 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.376 -6.630 7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.224 -5.334 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.861 -6.463 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.189 -6.850 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.426 -5.866 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.502 -7.413 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.687 -7.384 7.123 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.656 -9.484 4.699 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.891 -9.219 3.977 1.00 0.00 C ATOM 1146 C GLU A 72 -11.051 -9.010 4.951 1.00 0.00 C ATOM 1147 O GLU A 72 -11.288 -9.835 5.834 1.00 0.00 O ATOM 1148 CB GLU A 72 -10.194 -10.377 3.018 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.665 -10.517 2.658 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.919 -11.631 1.662 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -11.006 -11.936 0.866 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -13.031 -12.199 1.678 1.00 0.00 O ATOM 0 H GLU A 72 -8.766 -10.089 5.513 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.768 -8.305 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.619 -10.236 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.851 -11.308 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.240 -10.707 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.025 -9.575 2.244 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.770 -7.908 4.778 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.907 -7.591 5.636 1.00 0.00 C ATOM 1161 C TYR A 73 -14.042 -6.983 4.821 1.00 0.00 C ATOM 1162 O TYR A 73 -14.008 -5.802 4.481 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.487 -6.625 6.744 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.962 -5.303 6.232 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.815 -5.244 5.452 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.617 -4.114 6.529 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.333 -4.036 4.982 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.141 -2.902 6.062 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.000 -2.869 5.290 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.523 -1.665 4.824 1.00 0.00 O ATOM 0 H TYR A 73 -11.586 -7.217 4.050 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.259 -8.518 6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.342 -6.439 7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.719 -7.099 7.355 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.291 -6.156 5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.512 -4.136 7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.439 -4.007 4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.661 -1.986 6.301 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.108 -0.941 5.129 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.044 -7.796 4.505 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.179 -7.329 3.721 1.00 0.00 C ATOM 1182 C GLU A 74 -17.112 -6.458 4.555 1.00 0.00 C ATOM 1183 O GLU A 74 -17.635 -6.888 5.583 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.958 -8.506 3.130 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.430 -9.514 4.166 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.835 -10.839 3.549 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.224 -11.232 2.533 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.764 -11.481 4.081 1.00 0.00 O ATOM 0 H GLU A 74 -15.093 -8.777 4.779 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.781 -6.725 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.824 -8.122 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.329 -9.016 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.634 -9.683 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.276 -9.098 4.713 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.321 -5.234 4.089 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.196 -4.286 4.762 1.00 0.00 C ATOM 1197 C PHE A 75 -19.656 -4.584 4.429 1.00 0.00 C ATOM 1198 O PHE A 75 -19.943 -5.292 3.466 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.841 -2.856 4.348 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.162 -2.068 5.431 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.994 -2.531 6.013 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.691 -0.863 5.864 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.365 -1.808 7.010 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.068 -0.135 6.860 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.903 -0.608 7.434 1.00 0.00 C ATOM 0 H PHE A 75 -16.891 -4.872 3.238 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.057 -4.385 5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.191 -2.890 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.751 -2.337 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.569 -3.468 5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.601 -0.488 5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.455 -2.181 7.456 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.491 0.802 7.189 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.414 -0.041 8.212 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.598 -4.046 5.224 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.033 -4.251 5.013 1.00 0.00 C ATOM 1217 C PRO A 76 -22.456 -3.947 3.580 1.00 0.00 C ATOM 1218 O PRO A 76 -22.956 -2.862 3.285 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.699 -3.271 5.992 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.602 -2.385 6.484 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.340 -3.190 6.381 1.00 0.00 C ATOM 0 HA PRO A 76 -22.319 -5.289 5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.478 -2.692 5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.173 -3.803 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.535 -1.477 5.884 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.783 -2.075 7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.467 -2.556 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.157 -3.773 7.283 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.240 -4.922 2.700 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.581 -4.808 1.277 1.00 0.00 C ATOM 1231 C ASP A 77 -21.407 -4.268 0.459 1.00 0.00 C ATOM 1232 O ASP A 77 -21.564 -3.936 -0.716 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.814 -3.921 1.070 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.649 -4.358 -0.118 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.022 -5.550 -0.174 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -24.930 -3.511 -0.990 1.00 0.00 O ATOM 0 H ASP A 77 -21.822 -5.818 2.951 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.811 -5.813 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.429 -3.943 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.495 -2.889 0.926 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.233 -4.186 1.079 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.042 -3.691 0.395 1.00 0.00 C ATOM 1243 C ARG A 78 -17.825 -4.549 0.733 1.00 0.00 C ATOM 1244 O ARG A 78 -17.152 -4.315 1.735 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.775 -2.234 0.778 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.562 -1.635 0.085 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.269 -0.231 0.589 1.00 0.00 C ATOM 1248 NE ARG A 78 -15.839 0.064 0.589 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.329 1.260 0.880 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.127 2.271 1.196 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.015 1.444 0.855 1.00 0.00 N ATOM 0 H ARG A 78 -20.081 -4.455 2.051 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.220 -3.750 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.654 -1.636 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.635 -2.171 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.694 -2.272 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.733 -1.608 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.789 0.494 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.662 -0.119 1.600 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.193 -0.689 0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.138 2.136 1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.730 3.184 1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.396 0.670 0.613 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.624 2.359 1.078 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.544 -5.539 -0.109 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.406 -6.424 0.109 1.00 0.00 C ATOM 1267 C HIS A 79 -15.100 -5.716 -0.231 1.00 0.00 C ATOM 1268 O HIS A 79 -14.747 -5.572 -1.401 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.548 -7.691 -0.738 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.593 -8.777 -0.353 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.227 -8.668 -0.508 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -15.812 -10.002 0.184 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -13.648 -9.777 -0.085 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.586 -10.601 0.340 1.00 0.00 N ATOM 0 H HIS A 79 -18.088 -5.748 -0.946 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.387 -6.701 1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.568 -8.066 -0.648 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.393 -7.437 -1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.771 -10.427 0.441 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.586 -9.976 -0.087 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.427 -11.533 0.723 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.384 -5.271 0.797 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.125 -4.578 0.603 1.00 0.00 C ATOM 1285 C ILE A 80 -11.944 -5.468 0.984 1.00 0.00 C ATOM 1286 O ILE A 80 -11.747 -5.789 2.156 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.077 -3.272 1.427 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.666 -2.695 1.433 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.554 -3.518 2.851 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.577 -1.309 2.036 1.00 0.00 C ATOM 0 H ILE A 80 -14.659 -5.381 1.773 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.051 -4.329 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.745 -2.549 0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.011 -3.366 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.293 -2.661 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.513 -2.586 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.580 -3.886 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.912 -4.259 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.543 -0.965 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.205 -0.624 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.919 -1.340 3.071 1.00 0.00 H new ATOM 1302 N THR A 81 -11.161 -5.860 -0.015 1.00 0.00 N ATOM 1303 CA THR A 81 -9.997 -6.709 0.205 1.00 0.00 C ATOM 1304 C THR A 81 -8.716 -5.883 0.140 1.00 0.00 C ATOM 1305 O THR A 81 -8.499 -5.140 -0.815 1.00 0.00 O ATOM 1306 CB THR A 81 -9.954 -7.827 -0.840 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.914 -7.601 -1.858 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.216 -9.199 -0.261 1.00 0.00 C ATOM 0 H THR A 81 -11.313 -5.601 -0.990 1.00 0.00 H new ATOM 0 HA THR A 81 -10.075 -7.155 1.197 1.00 0.00 H new ATOM 0 HB THR A 81 -8.940 -7.807 -1.241 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.333 -8.451 -2.107 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.171 -9.944 -1.055 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.462 -9.426 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.205 -9.218 0.198 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.870 -6.008 1.158 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.618 -5.259 1.193 1.00 0.00 C ATOM 1318 C LEU A 82 -5.422 -6.180 1.400 1.00 0.00 C ATOM 1319 O LEU A 82 -5.275 -6.800 2.452 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.662 -4.211 2.307 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.211 -2.846 1.891 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.980 -2.211 3.037 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.082 -1.935 1.434 1.00 0.00 C ATOM 0 H LEU A 82 -8.026 -6.615 1.963 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.501 -4.763 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.272 -4.597 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.653 -4.076 2.698 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.896 -2.989 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.364 -1.240 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.812 -2.856 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.317 -2.080 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.491 -0.968 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.373 -1.797 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.573 -2.386 0.582 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.560 -6.256 0.389 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.368 -7.091 0.466 1.00 0.00 C ATOM 1337 C TRP A 83 -2.124 -6.227 0.600 1.00 0.00 C ATOM 1338 O TRP A 83 -1.851 -5.380 -0.250 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.245 -7.976 -0.778 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.360 -8.962 -0.921 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.661 -8.779 -0.565 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.273 -10.286 -1.459 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.393 -9.904 -0.848 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.564 -10.846 -1.397 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.230 -11.054 -1.987 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.838 -12.136 -1.844 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.505 -12.335 -2.430 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.800 -12.864 -2.357 1.00 0.00 C ATOM 0 H TRP A 83 -4.666 -5.750 -0.490 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.459 -7.729 1.345 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.216 -7.342 -1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.298 -8.514 -0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.060 -7.878 -0.123 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.392 -10.020 -0.677 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.229 -10.654 -2.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.835 -12.547 -1.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.708 -12.938 -2.839 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.983 -13.867 -2.713 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.368 -6.446 1.666 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.146 -5.681 1.896 1.00 0.00 C ATOM 1361 C PHE A 84 1.085 -6.489 1.483 1.00 0.00 C ATOM 1362 O PHE A 84 1.395 -7.518 2.085 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.028 -5.250 3.367 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.884 -4.066 3.739 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.984 -3.714 2.971 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.589 -3.303 4.864 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.771 -2.631 3.313 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.374 -2.220 5.209 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.465 -1.884 4.433 1.00 0.00 C ATOM 0 H PHE A 84 -1.575 -7.142 2.382 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.198 -4.783 1.280 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.299 -6.093 4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.014 -5.011 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.229 -4.294 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.264 -3.560 5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.624 -2.369 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.134 -1.636 6.086 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.079 -1.037 4.702 1.00 0.00 H new ATOM 1379 N TRP A 85 1.776 -6.022 0.444 1.00 0.00 N ATOM 1380 CA TRP A 85 2.964 -6.705 -0.061 1.00 0.00 C ATOM 1381 C TRP A 85 4.237 -6.129 0.554 1.00 0.00 C ATOM 1382 O TRP A 85 4.296 -4.945 0.885 1.00 0.00 O ATOM 1383 CB TRP A 85 3.023 -6.610 -1.585 1.00 0.00 C ATOM 1384 CG TRP A 85 1.986 -7.451 -2.262 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.634 -7.268 -2.226 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.213 -8.612 -3.067 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.006 -8.244 -2.960 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.954 -9.081 -3.488 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.358 -9.301 -3.476 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.810 -10.208 -4.295 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.215 -10.418 -4.277 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.948 -10.861 -4.679 1.00 0.00 C ATOM 0 H TRP A 85 1.532 -5.172 -0.064 1.00 0.00 H new ATOM 0 HA TRP A 85 2.896 -7.754 0.227 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.892 -5.570 -1.884 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.012 -6.918 -1.925 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.131 -6.472 -1.697 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.002 -8.332 -3.091 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.338 -8.966 -3.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.165 -10.553 -4.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.094 -10.958 -4.598 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.869 -11.737 -5.306 1.00 0.00 H new ATOM 1403 N LEU A 86 5.252 -6.978 0.717 1.00 0.00 N ATOM 1404 CA LEU A 86 6.516 -6.549 1.312 1.00 0.00 C ATOM 1405 C LEU A 86 7.565 -6.238 0.243 1.00 0.00 C ATOM 1406 O LEU A 86 8.167 -7.135 -0.334 1.00 0.00 O ATOM 1407 CB LEU A 86 7.039 -7.624 2.264 1.00 0.00 C ATOM 1408 CG LEU A 86 8.435 -7.367 2.836 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.395 -6.235 3.851 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.993 -8.633 3.468 1.00 0.00 C ATOM 0 H LEU A 86 5.223 -7.961 0.447 1.00 0.00 H new ATOM 0 HA LEU A 86 6.328 -5.632 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.338 -7.725 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.050 -8.578 1.737 1.00 0.00 H new ATOM 0 HG LEU A 86 9.094 -7.072 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.396 -6.066 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.038 -5.326 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.722 -6.501 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.986 -8.432 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.335 -8.958 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.058 -9.418 2.714 1.00 0.00 H new ATOM 1422 N VAL A 87 7.781 -4.951 0.009 1.00 0.00 N ATOM 1423 CA VAL A 87 8.754 -4.470 -0.974 1.00 0.00 C ATOM 1424 C VAL A 87 10.124 -4.333 -0.362 1.00 0.00 C ATOM 1425 O VAL A 87 10.247 -4.011 0.820 1.00 0.00 O ATOM 1426 CB VAL A 87 8.358 -3.106 -1.511 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.271 -2.679 -2.647 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.904 -3.123 -1.943 1.00 0.00 C ATOM 0 H VAL A 87 7.286 -4.204 0.496 1.00 0.00 H new ATOM 0 HA VAL A 87 8.772 -5.205 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 87 8.471 -2.370 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.964 -1.699 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.299 -2.627 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.207 -3.405 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.627 -2.141 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.765 -3.871 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.273 -3.369 -1.089 1.00 0.00 H new ATOM 1438 N GLU A 88 11.162 -4.596 -1.146 1.00 0.00 N ATOM 1439 CA GLU A 88 12.507 -4.500 -0.598 1.00 0.00 C ATOM 1440 C GLU A 88 13.350 -3.351 -1.173 1.00 0.00 C ATOM 1441 O GLU A 88 14.265 -2.875 -0.500 1.00 0.00 O ATOM 1442 CB GLU A 88 13.254 -5.825 -0.778 1.00 0.00 C ATOM 1443 CG GLU A 88 12.352 -7.048 -0.743 1.00 0.00 C ATOM 1444 CD GLU A 88 13.124 -8.346 -0.879 1.00 0.00 C ATOM 1445 OE1 GLU A 88 13.815 -8.729 0.089 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.038 -8.979 -1.951 1.00 0.00 O ATOM 0 H GLU A 88 11.104 -4.868 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 88 12.370 -4.277 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.786 -5.805 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.006 -5.917 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.795 -7.057 0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.621 -6.979 -1.548 1.00 0.00 H new ATOM 1453 N ARG A 89 13.081 -2.910 -2.400 1.00 0.00 N ATOM 1454 CA ARG A 89 13.878 -1.832 -2.989 1.00 0.00 C ATOM 1455 C ARG A 89 13.175 -1.196 -4.185 1.00 0.00 C ATOM 1456 O ARG A 89 12.231 -1.762 -4.733 1.00 0.00 O ATOM 1457 CB ARG A 89 15.259 -2.377 -3.392 1.00 0.00 C ATOM 1458 CG ARG A 89 15.921 -1.639 -4.548 1.00 0.00 C ATOM 1459 CD ARG A 89 17.268 -2.249 -4.906 1.00 0.00 C ATOM 1460 NE ARG A 89 18.316 -1.237 -5.012 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.331 -0.278 -5.935 1.00 0.00 C ATOM 1462 NH1 ARG A 89 17.359 -0.198 -6.834 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.322 0.602 -5.959 1.00 0.00 N ATOM 0 H ARG A 89 12.336 -3.271 -2.995 1.00 0.00 H new ATOM 0 HA ARG A 89 14.003 -1.049 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.919 -2.334 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.155 -3.428 -3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.266 -1.665 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.055 -0.591 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.547 -2.982 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.184 -2.784 -5.852 1.00 0.00 H new ATOM 0 HE ARG A 89 19.082 -1.267 -4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.595 -0.873 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.376 0.539 -7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.072 0.544 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.334 1.337 -6.666 1.00 0.00 H new ATOM 1477 N TRP A 90 13.659 -0.022 -4.599 1.00 0.00 N ATOM 1478 CA TRP A 90 13.090 0.672 -5.747 1.00 0.00 C ATOM 1479 C TRP A 90 14.125 1.562 -6.433 1.00 0.00 C ATOM 1480 O TRP A 90 14.809 2.352 -5.781 1.00 0.00 O ATOM 1481 CB TRP A 90 11.853 1.483 -5.333 1.00 0.00 C ATOM 1482 CG TRP A 90 12.149 2.827 -4.737 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.657 3.919 -5.380 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.925 3.225 -3.384 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.766 4.971 -4.504 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.320 4.571 -3.273 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.428 2.573 -2.253 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.231 5.276 -2.077 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.340 3.274 -1.066 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.736 4.614 -0.988 1.00 0.00 C ATOM 0 H TRP A 90 14.440 0.462 -4.156 1.00 0.00 H new ATOM 0 HA TRP A 90 12.778 -0.082 -6.470 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.218 1.622 -6.208 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.279 0.901 -4.612 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.933 3.951 -6.424 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.121 5.899 -4.733 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.118 1.540 -2.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.542 6.308 -2.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.960 2.780 -0.184 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.649 5.137 -0.047 1.00 0.00 H new ATOM 1501 N GLU A 91 14.239 1.426 -7.758 1.00 0.00 N ATOM 1502 CA GLU A 91 15.192 2.220 -8.524 1.00 0.00 C ATOM 1503 C GLU A 91 14.687 3.649 -8.697 1.00 0.00 C ATOM 1504 O GLU A 91 13.498 3.875 -8.925 1.00 0.00 O ATOM 1505 CB GLU A 91 15.437 1.584 -9.893 1.00 0.00 C ATOM 1506 CG GLU A 91 16.808 1.896 -10.471 1.00 0.00 C ATOM 1507 CD GLU A 91 17.315 0.801 -11.388 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.901 -0.177 -10.879 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.127 0.921 -12.618 1.00 0.00 O ATOM 0 H GLU A 91 13.685 0.776 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 91 16.132 2.247 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.325 0.503 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.672 1.930 -10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.761 2.835 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.518 2.041 -9.656 1.00 0.00 H new ATOM 1516 N GLY A 92 15.596 4.613 -8.587 1.00 0.00 N ATOM 1517 CA GLY A 92 15.220 6.006 -8.733 1.00 0.00 C ATOM 1518 C GLY A 92 14.177 6.431 -7.718 1.00 0.00 C ATOM 1519 O GLY A 92 14.422 6.393 -6.512 1.00 0.00 O ATOM 0 H GLY A 92 16.586 4.454 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.106 6.632 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.834 6.172 -9.739 1.00 0.00 H new ATOM 1523 N GLU A 93 13.008 6.833 -8.206 1.00 0.00 N ATOM 1524 CA GLU A 93 11.924 7.263 -7.331 1.00 0.00 C ATOM 1525 C GLU A 93 10.593 6.651 -7.771 1.00 0.00 C ATOM 1526 O GLU A 93 10.314 6.560 -8.966 1.00 0.00 O ATOM 1527 CB GLU A 93 11.819 8.790 -7.327 1.00 0.00 C ATOM 1528 CG GLU A 93 12.823 9.466 -6.407 1.00 0.00 C ATOM 1529 CD GLU A 93 12.309 10.778 -5.846 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.141 10.819 -5.407 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.075 11.764 -5.848 1.00 0.00 O ATOM 0 H GLU A 93 12.788 6.870 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 93 12.147 6.918 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.964 9.159 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.812 9.076 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.066 8.794 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.748 9.647 -6.955 1.00 0.00 H new ATOM 1538 N PRO A 94 9.749 6.226 -6.813 1.00 0.00 N ATOM 1539 CA PRO A 94 8.447 5.628 -7.108 1.00 0.00 C ATOM 1540 C PRO A 94 7.435 6.680 -7.526 1.00 0.00 C ATOM 1541 O PRO A 94 7.252 7.685 -6.839 1.00 0.00 O ATOM 1542 CB PRO A 94 8.031 4.980 -5.773 1.00 0.00 C ATOM 1543 CG PRO A 94 9.234 5.076 -4.897 1.00 0.00 C ATOM 1544 CD PRO A 94 9.973 6.291 -5.370 1.00 0.00 C ATOM 0 HA PRO A 94 8.495 4.918 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.181 5.500 -5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.731 3.942 -5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.950 5.172 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.853 4.183 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.576 7.208 -4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.033 6.251 -5.117 1.00 0.00 H new ATOM 1552 N TRP A 95 6.780 6.451 -8.655 1.00 0.00 N ATOM 1553 CA TRP A 95 5.794 7.397 -9.147 1.00 0.00 C ATOM 1554 C TRP A 95 4.477 6.710 -9.463 1.00 0.00 C ATOM 1555 O TRP A 95 3.432 7.058 -8.912 1.00 0.00 O ATOM 1556 CB TRP A 95 6.304 8.122 -10.394 1.00 0.00 C ATOM 1557 CG TRP A 95 6.921 7.234 -11.446 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.230 6.864 -11.533 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.264 6.627 -12.568 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.436 6.088 -12.652 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.245 5.931 -13.304 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.943 6.606 -13.027 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.947 5.234 -14.474 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.648 5.910 -14.185 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.647 5.236 -14.900 1.00 0.00 C ATOM 0 H TRP A 95 6.912 5.627 -9.241 1.00 0.00 H new ATOM 0 HA TRP A 95 5.626 8.126 -8.355 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.474 8.667 -10.843 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.043 8.863 -10.088 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.997 7.140 -10.825 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.330 5.695 -12.946 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.166 7.125 -12.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.715 4.711 -15.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.630 5.885 -14.545 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.386 4.708 -15.805 1.00 0.00 H new ATOM 1576 N GLY A 96 4.539 5.739 -10.359 1.00 0.00 N ATOM 1577 CA GLY A 96 3.344 5.010 -10.753 1.00 0.00 C ATOM 1578 C GLY A 96 2.161 5.922 -11.033 1.00 0.00 C ATOM 1579 O GLY A 96 2.064 6.513 -12.108 1.00 0.00 O ATOM 0 H GLY A 96 5.396 5.439 -10.824 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.561 4.421 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.076 4.308 -9.964 1.00 0.00 H new ATOM 1583 N LYS A 97 1.260 6.033 -10.060 1.00 0.00 N ATOM 1584 CA LYS A 97 0.077 6.877 -10.201 1.00 0.00 C ATOM 1585 C LYS A 97 -0.804 6.811 -8.955 1.00 0.00 C ATOM 1586 O LYS A 97 -2.030 6.838 -9.049 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.735 6.456 -11.430 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.378 7.622 -12.163 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.778 7.275 -12.644 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.734 8.445 -12.470 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.564 8.308 -11.242 1.00 0.00 N ATOM 0 H LYS A 97 1.327 5.549 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 97 0.417 7.905 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.083 5.919 -12.119 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.513 5.759 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.423 8.488 -11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.759 7.903 -13.015 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.742 6.987 -13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.151 6.414 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.166 9.374 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.385 8.514 -13.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.202 9.126 -11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.126 7.435 -11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.945 8.268 -10.407 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.172 6.727 -7.787 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.905 6.663 -6.525 1.00 0.00 C ATOM 1607 C GLU A 98 -1.826 7.874 -6.377 1.00 0.00 C ATOM 1608 O GLU A 98 -3.006 7.731 -6.059 1.00 0.00 O ATOM 1609 CB GLU A 98 0.072 6.580 -5.347 1.00 0.00 C ATOM 1610 CG GLU A 98 1.202 7.595 -5.413 1.00 0.00 C ATOM 1611 CD GLU A 98 2.439 7.141 -4.662 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.688 5.918 -4.613 1.00 0.00 O ATOM 1613 OE2 GLU A 98 3.158 8.008 -4.122 1.00 0.00 O ATOM 0 H GLU A 98 0.843 6.702 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.522 5.764 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.480 6.725 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.498 5.578 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.461 7.777 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.858 8.543 -5.000 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.285 9.063 -6.634 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.082 10.277 -6.548 1.00 0.00 C ATOM 1622 C GLY A 99 -1.949 11.009 -5.223 1.00 0.00 C ATOM 1623 O GLY A 99 -2.728 11.918 -4.937 1.00 0.00 O ATOM 0 H GLY A 99 -0.311 9.208 -6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.790 10.950 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.130 10.024 -6.708 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.970 10.625 -4.412 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.764 11.270 -3.119 1.00 0.00 C ATOM 1629 C GLN A 100 0.718 11.454 -2.820 1.00 0.00 C ATOM 1630 O GLN A 100 1.364 10.577 -2.249 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.427 10.457 -2.006 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.921 10.705 -1.880 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.665 9.507 -1.320 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.594 8.407 -1.866 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.385 9.718 -0.224 1.00 0.00 N ATOM 0 H GLN A 100 -0.311 9.876 -4.624 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.225 12.257 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.257 9.396 -2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.946 10.695 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.090 11.567 -1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.328 10.956 -2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.415 10.647 0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.908 8.951 0.198 1.00 0.00 H new ATOM 1644 N PRO A 101 1.274 12.616 -3.199 1.00 0.00 N ATOM 1645 CA PRO A 101 2.685 12.934 -2.968 1.00 0.00 C ATOM 1646 C PRO A 101 3.153 12.558 -1.562 1.00 0.00 C ATOM 1647 O PRO A 101 2.565 12.982 -0.568 1.00 0.00 O ATOM 1648 CB PRO A 101 2.705 14.448 -3.144 1.00 0.00 C ATOM 1649 CG PRO A 101 1.664 14.707 -4.172 1.00 0.00 C ATOM 1650 CD PRO A 101 0.569 13.718 -3.887 1.00 0.00 C ATOM 0 HA PRO A 101 3.350 12.386 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.479 14.961 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.684 14.798 -3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.295 15.731 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.063 14.573 -5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.210 14.151 -3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.087 13.377 -4.803 1.00 0.00 H new ATOM 1658 N GLY A 102 4.216 11.765 -1.492 1.00 0.00 N ATOM 1659 CA GLY A 102 4.754 11.346 -0.209 1.00 0.00 C ATOM 1660 C GLY A 102 6.268 11.460 -0.149 1.00 0.00 C ATOM 1661 O GLY A 102 6.906 11.825 -1.137 1.00 0.00 O ATOM 0 H GLY A 102 4.717 11.403 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.315 11.954 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.462 10.314 -0.016 1.00 0.00 H new ATOM 1665 N GLU A 103 6.843 11.144 1.007 1.00 0.00 N ATOM 1666 CA GLU A 103 8.292 11.209 1.188 1.00 0.00 C ATOM 1667 C GLU A 103 8.823 9.905 1.779 1.00 0.00 C ATOM 1668 O GLU A 103 8.082 9.157 2.417 1.00 0.00 O ATOM 1669 CB GLU A 103 8.663 12.383 2.096 1.00 0.00 C ATOM 1670 CG GLU A 103 8.818 13.700 1.352 1.00 0.00 C ATOM 1671 CD GLU A 103 10.056 13.732 0.477 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.976 13.267 -0.680 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.103 14.223 0.946 1.00 0.00 O ATOM 0 H GLU A 103 6.329 10.840 1.834 1.00 0.00 H new ATOM 0 HA GLU A 103 8.750 11.359 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.896 12.496 2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.596 12.153 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.936 13.870 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.865 14.517 2.072 1.00 0.00 H new ATOM 1680 N TRP A 104 10.110 9.634 1.567 1.00 0.00 N ATOM 1681 CA TRP A 104 10.724 8.413 2.088 1.00 0.00 C ATOM 1682 C TRP A 104 10.845 8.484 3.608 1.00 0.00 C ATOM 1683 O TRP A 104 11.678 9.215 4.142 1.00 0.00 O ATOM 1684 CB TRP A 104 12.113 8.188 1.462 1.00 0.00 C ATOM 1685 CG TRP A 104 12.246 8.726 0.069 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.270 8.790 -0.884 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.426 9.279 -0.527 1.00 0.00 C ATOM 1688 NE1 TRP A 104 11.770 9.347 -2.036 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.091 9.656 -1.842 1.00 0.00 C ATOM 1690 CE3 TRP A 104 14.732 9.493 -0.078 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.016 10.233 -2.710 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.648 10.066 -0.940 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.287 10.430 -2.242 1.00 0.00 C ATOM 0 H TRP A 104 10.743 10.237 1.043 1.00 0.00 H new ATOM 0 HA TRP A 104 10.083 7.573 1.822 1.00 0.00 H new ATOM 0 HB2 TRP A 104 12.866 8.657 2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.327 7.119 1.450 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.253 8.452 -0.751 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.244 9.505 -2.895 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.021 9.215 0.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 13.740 10.515 -3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.660 10.236 -0.603 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.026 10.876 -2.891 1.00 0.00 H new ATOM 1704 N MET A 105 10.005 7.717 4.299 1.00 0.00 N ATOM 1705 CA MET A 105 10.016 7.690 5.760 1.00 0.00 C ATOM 1706 C MET A 105 10.319 6.288 6.279 1.00 0.00 C ATOM 1707 O MET A 105 10.122 5.302 5.573 1.00 0.00 O ATOM 1708 CB MET A 105 8.674 8.174 6.312 1.00 0.00 C ATOM 1709 CG MET A 105 7.495 7.315 5.889 1.00 0.00 C ATOM 1710 SD MET A 105 5.920 7.951 6.497 1.00 0.00 S ATOM 1711 CE MET A 105 6.345 8.338 8.193 1.00 0.00 C ATOM 0 H MET A 105 9.309 7.106 3.872 1.00 0.00 H new ATOM 0 HA MET A 105 10.804 8.361 6.103 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.725 8.195 7.401 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.503 9.198 5.981 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.464 7.258 4.801 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.639 6.299 6.258 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.435 8.416 8.787 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.977 7.548 8.599 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.882 9.286 8.226 1.00 0.00 H new ATOM 1721 N SER A 106 10.795 6.208 7.517 1.00 0.00 N ATOM 1722 CA SER A 106 11.124 4.924 8.129 1.00 0.00 C ATOM 1723 C SER A 106 9.861 4.137 8.467 1.00 0.00 C ATOM 1724 O SER A 106 9.012 4.604 9.227 1.00 0.00 O ATOM 1725 CB SER A 106 11.959 5.139 9.392 1.00 0.00 C ATOM 1726 OG SER A 106 11.452 6.215 10.162 1.00 0.00 O ATOM 0 H SER A 106 10.962 7.016 8.117 1.00 0.00 H new ATOM 0 HA SER A 106 11.705 4.346 7.410 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.960 4.228 9.991 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.994 5.341 9.117 1.00 0.00 H new ATOM 0 HG SER A 106 10.473 6.173 10.178 1.00 0.00 H new ATOM 1732 N LEU A 107 9.745 2.939 7.901 1.00 0.00 N ATOM 1733 CA LEU A 107 8.587 2.085 8.146 1.00 0.00 C ATOM 1734 C LEU A 107 8.718 1.355 9.479 1.00 0.00 C ATOM 1735 O LEU A 107 7.720 1.035 10.122 1.00 0.00 O ATOM 1736 CB LEU A 107 8.424 1.069 7.014 1.00 0.00 C ATOM 1737 CG LEU A 107 7.006 0.529 6.828 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.610 -0.350 8.004 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.018 1.674 6.659 1.00 0.00 C ATOM 0 H LEU A 107 10.439 2.538 7.270 1.00 0.00 H new ATOM 0 HA LEU A 107 7.704 2.722 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.745 1.533 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.094 0.230 7.200 1.00 0.00 H new ATOM 0 HG LEU A 107 6.985 -0.079 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.598 -0.725 7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.301 -1.190 8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.648 0.234 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.014 1.271 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.042 2.309 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.290 2.263 5.783 1.00 0.00 H new ATOM 1751 N VAL A 108 9.958 1.098 9.889 1.00 0.00 N ATOM 1752 CA VAL A 108 10.220 0.408 11.148 1.00 0.00 C ATOM 1753 C VAL A 108 9.460 1.057 12.303 1.00 0.00 C ATOM 1754 O VAL A 108 9.172 0.411 13.311 1.00 0.00 O ATOM 1755 CB VAL A 108 11.727 0.395 11.477 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.253 1.813 11.646 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.997 -0.434 12.725 1.00 0.00 C ATOM 0 H VAL A 108 10.796 1.357 9.368 1.00 0.00 H new ATOM 0 HA VAL A 108 9.874 -0.618 11.025 1.00 0.00 H new ATOM 0 HB VAL A 108 12.255 -0.065 10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.318 1.781 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.099 2.371 10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.719 2.304 12.460 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.066 -0.431 12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.456 -0.007 13.569 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.663 -1.459 12.560 1.00 0.00 H new ATOM 1767 N GLY A 109 9.135 2.336 12.146 1.00 0.00 N ATOM 1768 CA GLY A 109 8.410 3.051 13.177 1.00 0.00 C ATOM 1769 C GLY A 109 7.135 3.682 12.654 1.00 0.00 C ATOM 1770 O GLY A 109 6.823 4.827 12.978 1.00 0.00 O ATOM 0 H GLY A 109 9.362 2.890 11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.167 2.365 13.988 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.051 3.827 13.597 1.00 0.00 H new ATOM 1774 N LEU A 110 6.395 2.931 11.843 1.00 0.00 N ATOM 1775 CA LEU A 110 5.144 3.425 11.277 1.00 0.00 C ATOM 1776 C LEU A 110 4.143 3.720 12.387 1.00 0.00 C ATOM 1777 O LEU A 110 4.178 3.093 13.446 1.00 0.00 O ATOM 1778 CB LEU A 110 4.561 2.402 10.301 1.00 0.00 C ATOM 1779 CG LEU A 110 3.296 2.855 9.571 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.255 2.279 8.164 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.056 2.445 10.354 1.00 0.00 C ATOM 0 H LEU A 110 6.639 1.981 11.564 1.00 0.00 H new ATOM 0 HA LEU A 110 5.349 4.348 10.735 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.321 2.154 9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.339 1.486 10.848 1.00 0.00 H new ATOM 0 HG LEU A 110 3.312 3.942 9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.348 2.613 7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.126 2.621 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.262 1.190 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.164 2.775 9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.035 1.360 10.461 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.080 2.906 11.341 1.00 0.00 H new ATOM 1793 N ASN A 111 3.263 4.688 12.153 1.00 0.00 N ATOM 1794 CA ASN A 111 2.276 5.067 13.156 1.00 0.00 C ATOM 1795 C ASN A 111 0.849 4.863 12.668 1.00 0.00 C ATOM 1796 O ASN A 111 0.488 5.273 11.565 1.00 0.00 O ATOM 1797 CB ASN A 111 2.482 6.524 13.571 1.00 0.00 C ATOM 1798 CG ASN A 111 2.859 6.662 15.033 1.00 0.00 C ATOM 1799 OD1 ASN A 111 1.994 6.774 15.902 1.00 0.00 O ATOM 1800 ND2 ASN A 111 4.158 6.656 15.312 1.00 0.00 N ATOM 0 H ASN A 111 3.213 5.220 11.284 1.00 0.00 H new ATOM 0 HA ASN A 111 2.423 4.415 14.017 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.263 6.967 12.954 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.568 7.086 13.380 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.473 6.747 16.278 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.841 6.561 14.560 1.00 0.00 H new ATOM 1807 N ALA A 112 0.037 4.241 13.519 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.360 3.996 13.202 1.00 0.00 C ATOM 1809 C ALA A 112 -2.158 5.303 13.251 1.00 0.00 C ATOM 1810 O ALA A 112 -3.285 5.375 12.760 1.00 0.00 O ATOM 1811 CB ALA A 112 -1.956 2.972 14.161 1.00 0.00 C ATOM 0 H ALA A 112 0.327 3.898 14.435 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.417 3.594 12.191 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.002 2.802 13.907 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.406 2.034 14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.886 3.346 15.182 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.569 6.333 13.860 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.223 7.633 13.980 1.00 0.00 C ATOM 1819 C ASP A 113 -2.135 8.434 12.680 1.00 0.00 C ATOM 1820 O ASP A 113 -3.137 8.962 12.200 1.00 0.00 O ATOM 1821 CB ASP A 113 -1.598 8.434 15.124 1.00 0.00 C ATOM 1822 CG ASP A 113 -2.625 9.245 15.890 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.681 8.683 16.246 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -2.372 10.444 16.133 1.00 0.00 O ATOM 0 H ASP A 113 -0.639 6.290 14.278 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.277 7.452 14.193 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.094 7.752 15.808 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.837 9.103 14.722 1.00 0.00 H new ATOM 1829 N ASP A 114 -0.929 8.529 12.118 1.00 0.00 N ATOM 1830 CA ASP A 114 -0.721 9.279 10.878 1.00 0.00 C ATOM 1831 C ASP A 114 -1.426 8.606 9.708 1.00 0.00 C ATOM 1832 O ASP A 114 -1.893 9.273 8.786 1.00 0.00 O ATOM 1833 CB ASP A 114 0.774 9.439 10.552 1.00 0.00 C ATOM 1834 CG ASP A 114 1.696 8.726 11.525 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.793 9.172 12.687 1.00 0.00 O ATOM 1836 OD2 ASP A 114 2.321 7.723 11.121 1.00 0.00 O ATOM 0 H ASP A 114 -0.086 8.099 12.499 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.148 10.270 11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.959 9.060 9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 114 1.022 10.500 10.543 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.497 7.284 9.751 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.144 6.519 8.695 1.00 0.00 C ATOM 1843 C PHE A 115 -3.637 6.351 9.007 1.00 0.00 C ATOM 1844 O PHE A 115 -4.088 6.708 10.094 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.442 5.157 8.545 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.212 3.997 9.096 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -2.726 4.052 10.372 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.415 2.857 8.341 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.433 2.994 10.898 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.121 1.792 8.857 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.630 1.862 10.140 1.00 0.00 C ATOM 0 H PHE A 115 -1.114 6.717 10.508 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.061 7.053 7.748 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.247 4.978 7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.474 5.204 9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.572 4.938 10.969 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.017 2.801 7.339 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -3.831 3.052 11.900 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.276 0.905 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.182 1.028 10.548 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.423 5.800 8.066 1.00 0.00 N ATOM 1862 CA PRO A 116 -5.861 5.591 8.277 1.00 0.00 C ATOM 1863 C PRO A 116 -6.131 4.533 9.349 1.00 0.00 C ATOM 1864 O PRO A 116 -5.599 3.427 9.280 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.358 5.110 6.911 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.156 4.527 6.251 1.00 0.00 C ATOM 1867 CD PRO A 116 -3.984 5.333 6.739 1.00 0.00 C ATOM 0 HA PRO A 116 -6.361 6.494 8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.150 4.368 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.769 5.934 6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.041 3.474 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.242 4.581 5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.079 4.729 6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.763 6.166 6.072 1.00 0.00 H new ATOM 1875 N PRO A 117 -6.957 4.858 10.362 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.279 3.924 11.451 1.00 0.00 C ATOM 1877 C PRO A 117 -8.061 2.700 10.978 1.00 0.00 C ATOM 1878 O PRO A 117 -8.114 1.684 11.670 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.134 4.765 12.405 1.00 0.00 C ATOM 1880 CG PRO A 117 -8.687 5.860 11.562 1.00 0.00 C ATOM 1881 CD PRO A 117 -7.636 6.155 10.531 1.00 0.00 C ATOM 0 HA PRO A 117 -6.375 3.518 11.905 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -8.931 4.169 12.851 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.536 5.162 13.225 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.622 5.556 11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.904 6.743 12.162 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.075 6.504 9.597 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.947 6.929 10.868 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.668 2.802 9.802 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.450 1.703 9.245 1.00 0.00 C ATOM 1891 C ALA A 118 -8.563 0.555 8.773 1.00 0.00 C ATOM 1892 O ALA A 118 -9.057 -0.516 8.420 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.320 2.202 8.102 1.00 0.00 C ATOM 0 H ALA A 118 -8.634 3.635 9.214 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.088 1.318 10.040 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.898 1.372 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.999 2.971 8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.687 2.621 7.319 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.256 0.785 8.750 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.311 -0.225 8.298 1.00 0.00 C ATOM 1901 C ASN A 119 -5.324 -0.602 9.403 1.00 0.00 C ATOM 1902 O ASN A 119 -4.156 -0.883 9.135 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.566 0.314 7.078 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.113 -0.241 5.780 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.367 -0.746 4.941 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.427 -0.144 5.608 1.00 0.00 N ATOM 0 H ASN A 119 -6.827 1.664 9.040 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.858 -1.130 8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.636 1.402 7.064 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.508 0.063 7.161 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.857 -0.496 4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.006 0.283 6.331 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.796 -0.593 10.648 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.947 -0.917 11.795 1.00 0.00 C ATOM 1915 C GLU A 120 -4.679 -2.419 11.914 1.00 0.00 C ATOM 1916 O GLU A 120 -3.546 -2.824 12.166 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.572 -0.387 13.087 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.768 0.728 13.735 1.00 0.00 C ATOM 1919 CD GLU A 120 -3.911 0.236 14.885 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -3.025 -0.610 14.645 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.127 0.698 16.026 1.00 0.00 O ATOM 0 H GLU A 120 -6.761 -0.365 10.889 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.986 -0.429 11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.577 -0.023 12.873 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.675 -1.209 13.795 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.130 1.194 12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.449 1.498 14.098 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.706 -3.273 11.743 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.540 -4.727 11.847 1.00 0.00 C ATOM 1930 C PRO A 121 -4.300 -5.230 11.113 1.00 0.00 C ATOM 1931 O PRO A 121 -3.633 -6.159 11.565 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.812 -5.265 11.195 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.835 -4.215 11.457 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.101 -2.898 11.443 1.00 0.00 C ATOM 0 HA PRO A 121 -5.399 -5.053 12.878 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.673 -5.426 10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.105 -6.222 11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.615 -4.234 10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.323 -4.378 12.418 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.184 -2.404 10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.500 -2.209 12.188 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.989 -4.597 9.989 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.821 -4.964 9.205 1.00 0.00 C ATOM 1944 C VAL A 122 -1.562 -4.412 9.852 1.00 0.00 C ATOM 1945 O VAL A 122 -0.534 -5.085 9.920 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.913 -4.440 7.759 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.836 -5.074 6.893 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.293 -4.706 7.177 1.00 0.00 C ATOM 0 H VAL A 122 -4.532 -3.826 9.601 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.782 -6.053 9.175 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.752 -3.362 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.916 -4.692 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.854 -4.829 7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.965 -6.156 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.336 -4.328 6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.487 -5.779 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.046 -4.202 7.782 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.657 -3.177 10.338 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.533 -2.530 10.992 1.00 0.00 C ATOM 1960 C ILE A 123 -0.250 -3.176 12.338 1.00 0.00 C ATOM 1961 O ILE A 123 0.893 -3.242 12.769 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.777 -1.025 11.205 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.071 -0.338 9.873 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.429 -0.385 11.874 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.151 -0.180 8.996 1.00 0.00 C ATOM 0 H ILE A 123 -2.502 -2.608 10.289 1.00 0.00 H new ATOM 0 HA ILE A 123 0.325 -2.653 10.332 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.643 -0.903 11.856 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.824 -0.913 9.334 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.500 0.645 10.067 1.00 0.00 H new ATOM 0 HG21 ILE A 123 0.243 0.679 12.019 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.602 -0.858 12.841 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.308 -0.517 11.243 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.130 0.315 8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.897 0.421 9.516 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.568 -1.162 8.772 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.290 -3.661 13.000 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.120 -4.306 14.293 1.00 0.00 C ATOM 1979 C ALA A 124 -0.099 -5.431 14.190 1.00 0.00 C ATOM 1980 O ALA A 124 0.564 -5.779 15.167 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.451 -4.836 14.805 1.00 0.00 C ATOM 0 H ALA A 124 -2.253 -3.621 12.666 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.751 -3.567 15.004 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.304 -5.315 15.773 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.155 -4.010 14.912 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.850 -5.563 14.097 1.00 0.00 H new ATOM 1987 N LYS A 125 0.023 -5.995 12.990 1.00 0.00 N ATOM 1988 CA LYS A 125 0.968 -7.082 12.749 1.00 0.00 C ATOM 1989 C LYS A 125 2.395 -6.558 12.551 1.00 0.00 C ATOM 1990 O LYS A 125 3.334 -7.039 13.186 1.00 0.00 O ATOM 1991 CB LYS A 125 0.536 -7.895 11.527 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.244 -9.151 11.880 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.565 -9.221 11.130 1.00 0.00 C ATOM 1994 CE LYS A 125 -2.733 -8.827 12.020 1.00 0.00 C ATOM 1995 NZ LYS A 125 -4.003 -8.712 11.252 1.00 0.00 N ATOM 0 H LYS A 125 -0.519 -5.718 12.172 1.00 0.00 H new ATOM 0 HA LYS A 125 0.966 -7.723 13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.076 -7.266 10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.421 -8.175 10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.356 -10.030 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.433 -9.173 12.953 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.528 -8.561 10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.718 -10.233 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.853 -9.568 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.515 -7.876 12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.782 -9.123 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.204 -7.710 11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.911 -9.224 10.351 1.00 0.00 H new ATOM 2009 N LEU A 126 2.552 -5.580 11.659 1.00 0.00 N ATOM 2010 CA LEU A 126 3.866 -5.004 11.369 1.00 0.00 C ATOM 2011 C LEU A 126 4.302 -4.021 12.451 1.00 0.00 C ATOM 2012 O LEU A 126 5.490 -3.897 12.750 1.00 0.00 O ATOM 2013 CB LEU A 126 3.845 -4.296 10.012 1.00 0.00 C ATOM 2014 CG LEU A 126 5.152 -4.367 9.219 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.619 -5.808 9.081 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.977 -3.726 7.851 1.00 0.00 C ATOM 0 H LEU A 126 1.786 -5.170 11.125 1.00 0.00 H new ATOM 0 HA LEU A 126 4.585 -5.823 11.345 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.048 -4.728 9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.592 -3.248 10.171 1.00 0.00 H new ATOM 0 HG LEU A 126 5.916 -3.813 9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.550 -5.836 8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.784 -6.233 10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.858 -6.389 8.559 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.915 -3.784 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.198 -4.253 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.692 -2.681 7.973 1.00 0.00 H new ATOM 2028 N LYS A 127 3.336 -3.321 13.027 1.00 0.00 N ATOM 2029 CA LYS A 127 3.605 -2.339 14.074 1.00 0.00 C ATOM 2030 C LYS A 127 4.418 -2.950 15.202 1.00 0.00 C ATOM 2031 O LYS A 127 5.366 -2.343 15.700 1.00 0.00 O ATOM 2032 CB LYS A 127 2.292 -1.806 14.625 1.00 0.00 C ATOM 2033 CG LYS A 127 2.460 -0.632 15.572 1.00 0.00 C ATOM 2034 CD LYS A 127 1.202 0.220 15.634 1.00 0.00 C ATOM 2035 CE LYS A 127 0.062 -0.520 16.314 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.815 0.401 17.088 1.00 0.00 N ATOM 0 H LYS A 127 2.349 -3.414 12.786 1.00 0.00 H new ATOM 0 HA LYS A 127 4.182 -1.524 13.637 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.656 -1.503 13.794 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.773 -2.611 15.146 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.701 -1.000 16.569 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.300 -0.019 15.247 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.412 1.143 16.175 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.903 0.503 14.625 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.532 -1.041 15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.469 -1.280 16.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.580 -0.143 17.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.254 0.879 17.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.224 1.111 16.447 1.00 0.00 H new ATOM 2050 N ARG A 128 4.055 -4.167 15.584 1.00 0.00 N ATOM 2051 CA ARG A 128 4.766 -4.874 16.636 1.00 0.00 C ATOM 2052 C ARG A 128 6.135 -5.318 16.132 1.00 0.00 C ATOM 2053 O ARG A 128 6.953 -5.833 16.895 1.00 0.00 O ATOM 2054 CB ARG A 128 3.956 -6.084 17.105 1.00 0.00 C ATOM 2055 CG ARG A 128 4.654 -6.907 18.175 1.00 0.00 C ATOM 2056 CD ARG A 128 3.710 -7.917 18.806 1.00 0.00 C ATOM 2057 NE ARG A 128 2.608 -7.269 19.513 1.00 0.00 N ATOM 2058 CZ ARG A 128 1.483 -7.889 19.860 1.00 0.00 C ATOM 2059 NH1 ARG A 128 1.306 -9.171 19.569 1.00 0.00 N ATOM 2060 NH2 ARG A 128 0.531 -7.225 20.502 1.00 0.00 N ATOM 0 H ARG A 128 3.273 -4.683 15.181 1.00 0.00 H new ATOM 0 HA ARG A 128 4.903 -4.200 17.482 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.996 -5.740 17.491 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.744 -6.723 16.248 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.506 -7.428 17.737 1.00 0.00 H new ATOM 0 HG3 ARG A 128 5.048 -6.244 18.946 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.309 -8.571 18.032 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.265 -8.548 19.500 1.00 0.00 H new ATOM 0 HE ARG A 128 2.707 -6.283 19.755 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.035 -9.687 19.076 1.00 0.00 H new ATOM 0 HH12 ARG A 128 0.441 -9.640 19.838 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.661 -6.239 20.730 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.331 -7.700 20.768 1.00 0.00 H new ATOM 2074 N LEU A 129 6.378 -5.107 14.837 1.00 0.00 N ATOM 2075 CA LEU A 129 7.648 -5.478 14.223 1.00 0.00 C ATOM 2076 C LEU A 129 8.003 -6.931 14.525 1.00 0.00 C ATOM 2077 O LEU A 129 7.124 -7.784 14.644 1.00 0.00 O ATOM 2078 CB LEU A 129 8.759 -4.553 14.721 1.00 0.00 C ATOM 2079 CG LEU A 129 8.436 -3.059 14.656 1.00 0.00 C ATOM 2080 CD1 LEU A 129 9.097 -2.319 15.808 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.879 -2.474 13.323 1.00 0.00 C ATOM 0 H LEU A 129 5.710 -4.681 14.195 1.00 0.00 H new ATOM 0 HA LEU A 129 7.547 -5.372 13.143 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.993 -4.814 15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.658 -4.741 14.133 1.00 0.00 H new ATOM 0 HG LEU A 129 7.356 -2.938 14.743 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.856 -1.258 15.745 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.732 -2.718 16.754 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.178 -2.449 15.752 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.641 -1.411 13.295 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.954 -2.608 13.206 1.00 0.00 H new ATOM 0 HD23 LEU A 129 8.359 -2.983 12.511 1.00 0.00 H new