USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= -0.308 (180deg=-1.06) USER MOD Single : A 5 GLN : amide:sc= -0.465 K(o=-0.47,f=-1.3) USER MOD Single : A 13 ASN : amide:sc= -8.51! K(o=-8.5!,f=-5.1) USER MOD Single : A 15 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.2) USER MOD Single : A 16 ASN : amide:sc= -0.98 X(o=-0.98,f=-1.1) USER MOD Single : A 21 THR OG1 : rot -53:sc= 1.03 USER MOD Single : A 31 ASN : amide:sc= -0.899 K(o=-0.9,f=-3.1!) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00836) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -105:sc= -0.802 (180deg=-1.99) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00896 USER MOD Single : A 48 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.5!) USER MOD Single : A 55 GLN : amide:sc= -0.608 K(o=-0.61,f=-0.083) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 63 GLN : amide:sc= -3.56 K(o=-3.6,f=-10!) USER MOD Single : A 64 HIS : no HD1:sc= -8.54! C(o=-8.5!,f=-9!) 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 USER MOD Single : A 79 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.56) USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.2!) USER MOD Single : A 105 MET CE :methyl -156:sc= -1.66! (180deg=-2.27!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.402 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 119 ASN : amide:sc= -9.98! C(o=-10!,f=-17!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -135:sc= -0.0109 (180deg=-2.53!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -9.346 -20.328 -2.356 1.00 0.00 N ATOM 21 CA LYS A 2 -9.323 -18.989 -2.935 1.00 0.00 C ATOM 22 C LYS A 2 -8.377 -18.077 -2.160 1.00 0.00 C ATOM 23 O LYS A 2 -8.710 -17.597 -1.075 1.00 0.00 O ATOM 24 CB LYS A 2 -10.732 -18.392 -2.946 1.00 0.00 C ATOM 25 CG LYS A 2 -10.874 -17.190 -3.866 1.00 0.00 C ATOM 26 CD LYS A 2 -11.012 -17.613 -5.319 1.00 0.00 C ATOM 27 CE LYS A 2 -11.532 -16.475 -6.183 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.955 -16.513 -7.556 1.00 0.00 N ATOM 0 HA LYS A 2 -8.962 -19.069 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.441 -19.161 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.001 -18.097 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.746 -16.606 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.005 -16.542 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.045 -17.945 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.690 -18.464 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.619 -16.533 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.289 -15.522 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.334 -15.721 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.920 -16.433 -7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.208 -17.412 -8.014 1.00 0.00 H new ATOM 42 N LYS A 3 -7.199 -17.840 -2.726 1.00 0.00 N ATOM 43 CA LYS A 3 -6.203 -16.984 -2.090 1.00 0.00 C ATOM 44 C LYS A 3 -5.977 -15.719 -2.911 1.00 0.00 C ATOM 45 O LYS A 3 -6.032 -15.747 -4.141 1.00 0.00 O ATOM 46 CB LYS A 3 -4.883 -17.739 -1.921 1.00 0.00 C ATOM 47 CG LYS A 3 -4.234 -18.133 -3.238 1.00 0.00 C ATOM 48 CD LYS A 3 -3.536 -19.479 -3.134 1.00 0.00 C ATOM 49 CE LYS A 3 -2.166 -19.349 -2.488 1.00 0.00 C ATOM 50 NZ LYS A 3 -1.308 -18.365 -3.203 1.00 0.00 N ATOM 0 H LYS A 3 -6.910 -18.228 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.577 -16.699 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.189 -17.118 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.061 -18.638 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.992 -18.174 -4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.513 -17.370 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.151 -20.164 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.431 -19.913 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.282 -19.042 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.674 -20.322 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.307 -18.571 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.483 -18.431 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.534 -17.404 -2.875 1.00 0.00 H new ATOM 64 N LEU A 4 -5.724 -14.610 -2.225 1.00 0.00 N ATOM 65 CA LEU A 4 -5.494 -13.337 -2.895 1.00 0.00 C ATOM 66 C LEU A 4 -4.479 -12.491 -2.130 1.00 0.00 C ATOM 67 O LEU A 4 -4.670 -12.185 -0.953 1.00 0.00 O ATOM 68 CB LEU A 4 -6.810 -12.571 -3.043 1.00 0.00 C ATOM 69 CG LEU A 4 -7.435 -12.098 -1.729 1.00 0.00 C ATOM 70 CD1 LEU A 4 -7.083 -10.641 -1.464 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.945 -12.288 -1.757 1.00 0.00 C ATOM 0 H LEU A 4 -5.673 -14.567 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.089 -13.544 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.638 -11.703 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.527 -13.208 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.028 -12.702 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.536 -10.322 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.000 -10.534 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.460 -10.022 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.372 -11.946 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.369 -11.710 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.176 -13.344 -1.899 1.00 0.00 H new ATOM 83 N GLN A 5 -3.396 -12.125 -2.807 1.00 0.00 N ATOM 84 CA GLN A 5 -2.342 -11.323 -2.198 1.00 0.00 C ATOM 85 C GLN A 5 -2.420 -9.866 -2.626 1.00 0.00 C ATOM 86 O GLN A 5 -2.921 -9.541 -3.702 1.00 0.00 O ATOM 87 CB GLN A 5 -0.971 -11.877 -2.572 1.00 0.00 C ATOM 88 CG GLN A 5 -0.834 -13.357 -2.287 1.00 0.00 C ATOM 89 CD GLN A 5 0.606 -13.828 -2.295 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.438 -13.306 -3.038 1.00 0.00 O ATOM 91 NE2 GLN A 5 0.910 -14.821 -1.467 1.00 0.00 N ATOM 0 H GLN A 5 -3.225 -12.372 -3.782 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.484 -11.374 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.790 -11.698 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.203 -11.334 -2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.278 -13.578 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.399 -13.919 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.189 -15.225 -0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.864 -15.180 -1.430 1.00 0.00 H new ATOM 100 N ILE A 6 -1.901 -9.001 -1.768 1.00 0.00 N ATOM 101 CA ILE A 6 -1.876 -7.573 -2.017 1.00 0.00 C ATOM 102 C ILE A 6 -0.613 -6.967 -1.414 1.00 0.00 C ATOM 103 O ILE A 6 -0.298 -7.206 -0.249 1.00 0.00 O ATOM 104 CB ILE A 6 -3.111 -6.874 -1.412 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.394 -7.369 -2.083 1.00 0.00 C ATOM 106 CG2 ILE A 6 -2.987 -5.365 -1.546 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.178 -8.344 -1.233 1.00 0.00 C ATOM 0 H ILE A 6 -1.485 -9.273 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.888 -7.422 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.161 -7.123 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.026 -6.513 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.140 -7.846 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.867 -4.888 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.095 -5.025 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.910 -5.098 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.075 -8.654 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.562 -9.218 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.463 -7.864 -0.297 1.00 0.00 H new ATOM 119 N ALA A 7 0.097 -6.172 -2.199 1.00 0.00 N ATOM 120 CA ALA A 7 1.310 -5.527 -1.714 1.00 0.00 C ATOM 121 C ALA A 7 1.196 -4.031 -1.904 1.00 0.00 C ATOM 122 O ALA A 7 0.960 -3.565 -3.012 1.00 0.00 O ATOM 123 CB ALA A 7 2.533 -6.065 -2.439 1.00 0.00 C ATOM 0 H ALA A 7 -0.142 -5.958 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 7 1.427 -5.746 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.427 -5.569 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.614 -7.139 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.436 -5.873 -3.508 1.00 0.00 H new ATOM 129 N VAL A 8 1.358 -3.279 -0.827 1.00 0.00 N ATOM 130 CA VAL A 8 1.247 -1.831 -0.903 1.00 0.00 C ATOM 131 C VAL A 8 2.568 -1.145 -0.604 1.00 0.00 C ATOM 132 O VAL A 8 3.479 -1.733 -0.021 1.00 0.00 O ATOM 133 CB VAL A 8 0.145 -1.287 0.045 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.704 -2.418 0.610 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.744 -0.452 1.172 1.00 0.00 C ATOM 0 H VAL A 8 1.565 -3.643 0.103 1.00 0.00 H new ATOM 0 HA VAL A 8 0.965 -1.600 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.502 -0.640 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.467 -2.005 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.184 -2.956 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.070 -3.103 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.054 -0.086 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.430 -1.067 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.285 0.394 0.749 1.00 0.00 H new ATOM 145 N GLY A 9 2.650 0.115 -1.005 1.00 0.00 N ATOM 146 CA GLY A 9 3.843 0.891 -0.775 1.00 0.00 C ATOM 147 C GLY A 9 3.526 2.328 -0.435 1.00 0.00 C ATOM 148 O GLY A 9 3.152 3.115 -1.304 1.00 0.00 O ATOM 0 H GLY A 9 1.903 0.614 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.415 0.444 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.473 0.859 -1.664 1.00 0.00 H new ATOM 152 N ILE A 10 3.688 2.670 0.832 1.00 0.00 N ATOM 153 CA ILE A 10 3.430 4.023 1.298 1.00 0.00 C ATOM 154 C ILE A 10 4.508 4.950 0.751 1.00 0.00 C ATOM 155 O ILE A 10 5.620 4.996 1.274 1.00 0.00 O ATOM 156 CB ILE A 10 3.414 4.071 2.848 1.00 0.00 C ATOM 157 CG1 ILE A 10 2.126 3.439 3.380 1.00 0.00 C ATOM 158 CG2 ILE A 10 3.567 5.495 3.374 1.00 0.00 C ATOM 159 CD1 ILE A 10 2.271 1.975 3.732 1.00 0.00 C ATOM 0 H ILE A 10 3.998 2.026 1.560 1.00 0.00 H new ATOM 0 HA ILE A 10 2.453 4.348 0.941 1.00 0.00 H new ATOM 0 HB ILE A 10 4.269 3.499 3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.801 3.986 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.341 3.548 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.551 5.484 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.514 5.910 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.746 6.109 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.319 1.594 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.566 1.415 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.033 1.860 4.503 1.00 0.00 H new ATOM 171 N ILE A 11 4.175 5.674 -0.314 1.00 0.00 N ATOM 172 CA ILE A 11 5.132 6.581 -0.942 1.00 0.00 C ATOM 173 C ILE A 11 5.395 7.793 -0.067 1.00 0.00 C ATOM 174 O ILE A 11 4.472 8.488 0.343 1.00 0.00 O ATOM 175 CB ILE A 11 4.677 7.067 -2.335 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.695 6.083 -2.978 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.893 7.264 -3.229 1.00 0.00 C ATOM 178 CD1 ILE A 11 3.362 6.422 -4.414 1.00 0.00 C ATOM 0 H ILE A 11 3.257 5.651 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 11 6.047 6.001 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 11 4.157 8.018 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.118 5.079 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.775 6.064 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.570 7.607 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.555 8.007 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.426 6.319 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.662 5.686 -4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.910 7.413 -4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.274 6.412 -5.011 1.00 0.00 H new ATOM 190 N ARG A 12 6.666 8.039 0.205 1.00 0.00 N ATOM 191 CA ARG A 12 7.069 9.171 1.034 1.00 0.00 C ATOM 192 C ARG A 12 7.459 10.358 0.163 1.00 0.00 C ATOM 193 O ARG A 12 8.086 10.187 -0.884 1.00 0.00 O ATOM 194 CB ARG A 12 8.236 8.781 1.942 1.00 0.00 C ATOM 195 CG ARG A 12 7.810 8.423 3.357 1.00 0.00 C ATOM 196 CD ARG A 12 8.450 9.343 4.386 1.00 0.00 C ATOM 197 NE ARG A 12 7.957 9.082 5.736 1.00 0.00 N ATOM 198 CZ ARG A 12 8.321 8.032 6.469 1.00 0.00 C ATOM 199 NH1 ARG A 12 9.183 7.144 5.988 1.00 0.00 N ATOM 200 NH2 ARG A 12 7.824 7.869 7.687 1.00 0.00 N ATOM 0 H ARG A 12 7.441 7.470 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 12 6.221 9.457 1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.760 7.932 1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.946 9.607 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.725 8.486 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.086 7.390 3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.532 9.214 4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.247 10.381 4.120 1.00 0.00 H new ATOM 0 HE ARG A 12 7.295 9.743 6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.570 7.264 5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.458 6.342 6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.162 8.548 8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.103 7.064 8.248 1.00 0.00 H new ATOM 214 N ASN A 13 7.073 11.556 0.603 1.00 0.00 N ATOM 215 CA ASN A 13 7.364 12.782 -0.135 1.00 0.00 C ATOM 216 C ASN A 13 8.431 13.631 0.537 1.00 0.00 C ATOM 217 O ASN A 13 9.076 13.221 1.502 1.00 0.00 O ATOM 218 CB ASN A 13 6.107 13.623 -0.322 1.00 0.00 C ATOM 219 CG ASN A 13 6.065 14.355 -1.653 1.00 0.00 C ATOM 220 OD1 ASN A 13 5.591 15.490 -1.731 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.559 13.717 -2.709 1.00 0.00 N ATOM 0 H ASN A 13 6.556 11.702 1.470 1.00 0.00 H new ATOM 0 HA ASN A 13 7.743 12.463 -1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.232 12.978 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.042 14.351 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.554 14.167 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.943 12.778 -2.604 1.00 0.00 H new ATOM 228 N GLU A 14 8.602 14.818 -0.020 1.00 0.00 N ATOM 229 CA GLU A 14 9.583 15.790 0.450 1.00 0.00 C ATOM 230 C GLU A 14 9.215 16.370 1.811 1.00 0.00 C ATOM 231 O GLU A 14 10.061 16.942 2.501 1.00 0.00 O ATOM 232 CB GLU A 14 9.699 16.917 -0.578 1.00 0.00 C ATOM 233 CG GLU A 14 10.582 18.074 -0.133 1.00 0.00 C ATOM 234 CD GLU A 14 12.044 17.686 -0.023 1.00 0.00 C ATOM 235 OE1 GLU A 14 12.340 16.473 -0.036 1.00 0.00 O ATOM 236 OE2 GLU A 14 12.894 18.596 0.076 1.00 0.00 O ATOM 0 H GLU A 14 8.059 15.141 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 14 10.538 15.277 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.095 16.508 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.702 17.298 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.481 18.896 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.234 18.441 0.833 1.00 0.00 H new ATOM 243 N ASN A 15 7.958 16.231 2.187 1.00 0.00 N ATOM 244 CA ASN A 15 7.482 16.754 3.463 1.00 0.00 C ATOM 245 C ASN A 15 7.067 15.623 4.392 1.00 0.00 C ATOM 246 O ASN A 15 6.071 15.727 5.109 1.00 0.00 O ATOM 247 CB ASN A 15 6.305 17.706 3.240 1.00 0.00 C ATOM 248 CG ASN A 15 6.014 18.559 4.460 1.00 0.00 C ATOM 249 OD1 ASN A 15 4.921 18.505 5.023 1.00 0.00 O ATOM 250 ND2 ASN A 15 6.994 19.355 4.872 1.00 0.00 N ATOM 0 H ASN A 15 7.244 15.761 1.630 1.00 0.00 H new ATOM 0 HA ASN A 15 8.300 17.302 3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.521 18.353 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.417 17.128 2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.856 19.954 5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.884 19.367 4.374 1.00 0.00 H new ATOM 257 N ASN A 16 7.836 14.538 4.372 1.00 0.00 N ATOM 258 CA ASN A 16 7.549 13.375 5.210 1.00 0.00 C ATOM 259 C ASN A 16 6.073 12.997 5.115 1.00 0.00 C ATOM 260 O ASN A 16 5.498 12.449 6.055 1.00 0.00 O ATOM 261 CB ASN A 16 7.933 13.631 6.676 1.00 0.00 C ATOM 262 CG ASN A 16 8.411 15.050 6.934 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.511 15.430 6.529 1.00 0.00 O ATOM 264 ND2 ASN A 16 7.586 15.840 7.610 1.00 0.00 N ATOM 0 H ASN A 16 8.664 14.439 3.784 1.00 0.00 H new ATOM 0 HA ASN A 16 8.153 12.546 4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.072 13.424 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.718 12.932 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.854 16.803 7.813 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.684 15.484 7.927 1.00 0.00 H new ATOM 271 N GLU A 17 5.471 13.296 3.967 1.00 0.00 N ATOM 272 CA GLU A 17 4.066 12.990 3.738 1.00 0.00 C ATOM 273 C GLU A 17 3.930 11.815 2.779 1.00 0.00 C ATOM 274 O GLU A 17 4.744 11.645 1.872 1.00 0.00 O ATOM 275 CB GLU A 17 3.330 14.215 3.185 1.00 0.00 C ATOM 276 CG GLU A 17 4.121 14.988 2.141 1.00 0.00 C ATOM 277 CD GLU A 17 3.442 16.282 1.736 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.537 16.733 2.469 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.817 16.845 0.686 1.00 0.00 O ATOM 0 H GLU A 17 5.937 13.750 3.181 1.00 0.00 H new ATOM 0 HA GLU A 17 3.614 12.718 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.386 13.892 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.086 14.884 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.113 15.210 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.259 14.363 1.259 1.00 0.00 H new ATOM 286 N ILE A 18 2.910 10.996 2.997 1.00 0.00 N ATOM 287 CA ILE A 18 2.682 9.825 2.166 1.00 0.00 C ATOM 288 C ILE A 18 1.491 10.015 1.230 1.00 0.00 C ATOM 289 O ILE A 18 0.388 10.345 1.663 1.00 0.00 O ATOM 290 CB ILE A 18 2.494 8.552 3.038 1.00 0.00 C ATOM 291 CG1 ILE A 18 1.479 7.577 2.426 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.075 8.918 4.451 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.888 7.037 1.076 1.00 0.00 C ATOM 0 H ILE A 18 2.227 11.123 3.744 1.00 0.00 H new ATOM 0 HA ILE A 18 3.569 9.693 1.547 1.00 0.00 H new ATOM 0 HB ILE A 18 3.460 8.049 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.333 6.742 3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.518 8.082 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.950 8.010 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.842 9.544 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.132 9.463 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.120 6.356 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.006 7.863 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.833 6.502 1.169 1.00 0.00 H new ATOM 305 N PHE A 19 1.729 9.781 -0.058 1.00 0.00 N ATOM 306 CA PHE A 19 0.687 9.899 -1.070 1.00 0.00 C ATOM 307 C PHE A 19 -0.210 8.663 -1.034 1.00 0.00 C ATOM 308 O PHE A 19 0.032 7.686 -1.741 1.00 0.00 O ATOM 309 CB PHE A 19 1.333 10.055 -2.454 1.00 0.00 C ATOM 310 CG PHE A 19 0.368 9.995 -3.607 1.00 0.00 C ATOM 311 CD1 PHE A 19 0.063 8.785 -4.213 1.00 0.00 C ATOM 312 CD2 PHE A 19 -0.223 11.149 -4.094 1.00 0.00 C ATOM 313 CE1 PHE A 19 -0.813 8.729 -5.280 1.00 0.00 C ATOM 314 CE2 PHE A 19 -1.100 11.099 -5.161 1.00 0.00 C ATOM 315 CZ PHE A 19 -1.396 9.888 -5.754 1.00 0.00 C ATOM 0 H PHE A 19 2.640 9.507 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 19 0.076 10.778 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.861 11.008 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.080 9.272 -2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.516 7.876 -3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.004 12.100 -3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.042 7.780 -5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.553 12.007 -5.531 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.082 9.847 -6.587 1.00 0.00 H new ATOM 325 N ILE A 20 -1.235 8.705 -0.189 1.00 0.00 N ATOM 326 CA ILE A 20 -2.150 7.596 -0.041 1.00 0.00 C ATOM 327 C ILE A 20 -3.537 7.968 -0.555 1.00 0.00 C ATOM 328 O ILE A 20 -3.858 9.148 -0.697 1.00 0.00 O ATOM 329 CB ILE A 20 -2.277 7.176 1.432 1.00 0.00 C ATOM 330 CG1 ILE A 20 -2.106 8.379 2.368 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.271 6.085 1.760 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.203 8.022 3.837 1.00 0.00 C ATOM 0 H ILE A 20 -1.448 9.506 0.405 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.747 6.768 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.280 6.778 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.138 8.842 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.867 9.123 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.373 5.798 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.456 5.217 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.261 6.456 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.073 8.921 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.181 7.587 4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.425 7.301 4.088 1.00 0.00 H new ATOM 344 N THR A 21 -4.363 6.963 -0.816 1.00 0.00 N ATOM 345 CA THR A 21 -5.720 7.199 -1.291 1.00 0.00 C ATOM 346 C THR A 21 -6.643 7.502 -0.113 1.00 0.00 C ATOM 347 O THR A 21 -6.873 6.643 0.738 1.00 0.00 O ATOM 348 CB THR A 21 -6.236 5.986 -2.063 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.593 4.942 -1.175 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.230 5.428 -3.047 1.00 0.00 C ATOM 0 H THR A 21 -4.118 5.979 -0.707 1.00 0.00 H new ATOM 0 HA THR A 21 -5.708 8.058 -1.962 1.00 0.00 H new ATOM 0 HB THR A 21 -7.102 6.346 -2.619 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.840 4.747 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.661 4.569 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.971 6.195 -3.777 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.332 5.118 -2.513 1.00 0.00 H new ATOM 493 N ASN A 31 -14.538 5.529 3.233 1.00 0.00 N ATOM 494 CA ASN A 31 -13.958 5.153 4.518 1.00 0.00 C ATOM 495 C ASN A 31 -12.983 3.985 4.374 1.00 0.00 C ATOM 496 O ASN A 31 -12.741 3.249 5.332 1.00 0.00 O ATOM 497 CB ASN A 31 -15.064 4.786 5.509 1.00 0.00 C ATOM 498 CG ASN A 31 -14.775 5.287 6.911 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.162 6.339 7.092 1.00 0.00 O ATOM 500 ND2 ASN A 31 -15.215 4.534 7.912 1.00 0.00 N ATOM 0 HA ASN A 31 -13.403 6.012 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.010 5.204 5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.184 3.703 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.049 4.820 8.877 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.719 3.669 7.716 1.00 0.00 H new ATOM 507 N LYS A 32 -12.418 3.821 3.181 1.00 0.00 N ATOM 508 CA LYS A 32 -11.465 2.744 2.929 1.00 0.00 C ATOM 509 C LYS A 32 -10.077 3.292 2.635 1.00 0.00 C ATOM 510 O LYS A 32 -9.277 2.653 1.952 1.00 0.00 O ATOM 511 CB LYS A 32 -11.938 1.855 1.780 1.00 0.00 C ATOM 512 CG LYS A 32 -12.472 0.508 2.238 1.00 0.00 C ATOM 513 CD LYS A 32 -13.838 0.213 1.638 1.00 0.00 C ATOM 514 CE LYS A 32 -13.724 -0.637 0.382 1.00 0.00 C ATOM 515 NZ LYS A 32 -13.444 -2.064 0.701 1.00 0.00 N ATOM 0 H LYS A 32 -12.603 4.419 2.375 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.407 2.139 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.717 2.376 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.109 1.693 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.772 -0.277 1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.541 0.494 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.455 -0.303 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.342 1.150 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.650 -0.568 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.929 -0.244 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.967 -2.513 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.831 -2.118 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.338 -2.559 0.894 1.00 0.00 H new ATOM 529 N LEU A 33 -9.807 4.482 3.156 1.00 0.00 N ATOM 530 CA LEU A 33 -8.517 5.150 2.967 1.00 0.00 C ATOM 531 C LEU A 33 -7.360 4.155 3.044 1.00 0.00 C ATOM 532 O LEU A 33 -6.862 3.848 4.125 1.00 0.00 O ATOM 533 CB LEU A 33 -8.338 6.240 4.029 1.00 0.00 C ATOM 534 CG LEU A 33 -7.172 7.200 3.793 1.00 0.00 C ATOM 535 CD1 LEU A 33 -7.302 8.427 4.682 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.843 6.502 4.037 1.00 0.00 C ATOM 0 H LEU A 33 -10.470 5.013 3.720 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.510 5.600 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.258 6.821 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.201 5.760 4.998 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.202 7.524 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.463 9.099 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.235 8.943 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.301 8.120 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.027 7.203 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.803 6.146 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.746 5.656 3.356 1.00 0.00 H new ATOM 548 N GLU A 34 -6.937 3.647 1.889 1.00 0.00 N ATOM 549 CA GLU A 34 -5.845 2.683 1.836 1.00 0.00 C ATOM 550 C GLU A 34 -4.692 3.204 0.987 1.00 0.00 C ATOM 551 O GLU A 34 -4.654 4.381 0.625 1.00 0.00 O ATOM 552 CB GLU A 34 -6.343 1.343 1.288 1.00 0.00 C ATOM 553 CG GLU A 34 -5.875 0.143 2.095 1.00 0.00 C ATOM 554 CD GLU A 34 -6.668 -1.112 1.786 1.00 0.00 C ATOM 555 OE1 GLU A 34 -7.815 -0.987 1.309 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.140 -2.220 2.020 1.00 0.00 O ATOM 0 H GLU A 34 -7.334 3.887 0.980 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.478 2.535 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.433 1.352 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.003 1.232 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.820 -0.039 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.959 0.369 3.158 1.00 0.00 H new ATOM 563 N PHE A 35 -3.746 2.324 0.681 1.00 0.00 N ATOM 564 CA PHE A 35 -2.581 2.696 -0.115 1.00 0.00 C ATOM 565 C PHE A 35 -2.496 1.883 -1.408 1.00 0.00 C ATOM 566 O PHE A 35 -3.044 0.785 -1.504 1.00 0.00 O ATOM 567 CB PHE A 35 -1.282 2.516 0.691 1.00 0.00 C ATOM 568 CG PHE A 35 -1.488 2.174 2.145 1.00 0.00 C ATOM 569 CD1 PHE A 35 -2.074 0.974 2.514 1.00 0.00 C ATOM 570 CD2 PHE A 35 -1.090 3.054 3.139 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.261 0.658 3.845 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.275 2.743 4.473 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.861 1.544 4.826 1.00 0.00 C ATOM 0 H PHE A 35 -3.762 1.347 0.972 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.699 3.748 -0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.688 1.729 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.699 3.435 0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.388 0.277 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.630 3.993 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.719 -0.281 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.961 3.437 5.238 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.006 1.299 5.868 1.00 0.00 H new ATOM 583 N PRO A 36 -1.772 2.413 -2.410 1.00 0.00 N ATOM 584 CA PRO A 36 -1.566 1.746 -3.703 1.00 0.00 C ATOM 585 C PRO A 36 -0.911 0.380 -3.529 1.00 0.00 C ATOM 586 O PRO A 36 -0.426 0.058 -2.448 1.00 0.00 O ATOM 587 CB PRO A 36 -0.638 2.695 -4.470 1.00 0.00 C ATOM 588 CG PRO A 36 -0.031 3.571 -3.428 1.00 0.00 C ATOM 589 CD PRO A 36 -1.066 3.704 -2.351 1.00 0.00 C ATOM 0 HA PRO A 36 -2.506 1.560 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.127 2.143 -5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.192 3.281 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.887 3.133 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.231 4.545 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.613 3.872 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.739 4.541 -2.539 1.00 0.00 H new ATOM 597 N GLY A 37 -0.897 -0.426 -4.588 1.00 0.00 N ATOM 598 CA GLY A 37 -0.297 -1.743 -4.493 1.00 0.00 C ATOM 599 C GLY A 37 -1.307 -2.864 -4.365 1.00 0.00 C ATOM 600 O GLY A 37 -1.309 -3.629 -3.402 1.00 0.00 O ATOM 0 H GLY A 37 -1.287 -0.192 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.316 -1.918 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.371 -1.767 -3.632 1.00 0.00 H new ATOM 604 N GLY A 38 -2.157 -2.947 -5.364 1.00 0.00 N ATOM 605 CA GLY A 38 -3.183 -3.968 -5.417 1.00 0.00 C ATOM 606 C GLY A 38 -3.121 -4.773 -6.707 1.00 0.00 C ATOM 607 O GLY A 38 -3.243 -4.202 -7.791 1.00 0.00 O ATOM 0 H GLY A 38 -2.158 -2.311 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.071 -4.639 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.164 -3.501 -5.328 1.00 0.00 H new ATOM 611 N LYS A 39 -2.931 -6.098 -6.584 1.00 0.00 N ATOM 612 CA LYS A 39 -2.851 -7.014 -7.734 1.00 0.00 C ATOM 613 C LYS A 39 -1.463 -7.643 -7.862 1.00 0.00 C ATOM 614 O LYS A 39 -1.194 -8.364 -8.824 1.00 0.00 O ATOM 615 CB LYS A 39 -3.217 -6.322 -9.053 1.00 0.00 C ATOM 616 CG LYS A 39 -3.301 -7.277 -10.233 1.00 0.00 C ATOM 617 CD LYS A 39 -4.579 -7.070 -11.032 1.00 0.00 C ATOM 618 CE LYS A 39 -5.640 -8.095 -10.661 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.633 -7.543 -9.700 1.00 0.00 N ATOM 0 H LYS A 39 -2.828 -6.564 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.581 -7.800 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.175 -5.816 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.475 -5.553 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.438 -7.131 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.259 -8.305 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.963 -6.066 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.359 -7.141 -12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.154 -8.428 -11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.161 -8.972 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.339 -8.272 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.147 -7.248 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.109 -6.722 -10.126 1.00 0.00 H new ATOM 633 N ILE A 40 -0.583 -7.384 -6.896 1.00 0.00 N ATOM 634 CA ILE A 40 0.764 -7.951 -6.931 1.00 0.00 C ATOM 635 C ILE A 40 0.708 -9.469 -6.960 1.00 0.00 C ATOM 636 O ILE A 40 1.624 -10.137 -7.439 1.00 0.00 O ATOM 637 CB ILE A 40 1.619 -7.492 -5.732 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.317 -8.323 -4.474 1.00 0.00 C ATOM 639 CG2 ILE A 40 1.386 -6.013 -5.473 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.559 -8.798 -3.751 1.00 0.00 C ATOM 0 H ILE A 40 -0.775 -6.792 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 40 1.235 -7.585 -7.843 1.00 0.00 H new ATOM 0 HB ILE A 40 2.669 -7.649 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.714 -7.726 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.717 -9.188 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.992 -5.692 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.667 -5.440 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.332 -5.844 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.270 -9.377 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.153 -9.422 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.150 -7.937 -3.439 1.00 0.00 H new ATOM 652 N GLU A 41 -0.383 -9.995 -6.423 1.00 0.00 N ATOM 653 CA GLU A 41 -0.606 -11.432 -6.350 1.00 0.00 C ATOM 654 C GLU A 41 -0.198 -12.119 -7.647 1.00 0.00 C ATOM 655 O GLU A 41 0.909 -12.646 -7.744 1.00 0.00 O ATOM 656 CB GLU A 41 -2.076 -11.722 -6.027 1.00 0.00 C ATOM 657 CG GLU A 41 -3.059 -10.728 -6.640 1.00 0.00 C ATOM 658 CD GLU A 41 -4.107 -11.397 -7.510 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.150 -11.816 -6.966 1.00 0.00 O ATOM 660 OE2 GLU A 41 -3.883 -11.501 -8.734 1.00 0.00 O ATOM 0 H GLU A 41 -1.139 -9.438 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 41 0.017 -11.833 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.323 -12.724 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.205 -11.723 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.555 -10.175 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.508 -10.001 -7.237 1.00 0.00 H new ATOM 667 N MET A 42 -1.091 -12.097 -8.635 1.00 0.00 N ATOM 668 CA MET A 42 -0.835 -12.710 -9.943 1.00 0.00 C ATOM 669 C MET A 42 0.033 -13.966 -9.824 1.00 0.00 C ATOM 670 O MET A 42 -0.480 -15.081 -9.733 1.00 0.00 O ATOM 671 CB MET A 42 -0.173 -11.693 -10.880 1.00 0.00 C ATOM 672 CG MET A 42 -1.107 -11.158 -11.951 1.00 0.00 C ATOM 673 SD MET A 42 -0.736 -9.453 -12.408 1.00 0.00 S ATOM 674 CE MET A 42 1.005 -9.583 -12.812 1.00 0.00 C ATOM 0 H MET A 42 -2.008 -11.657 -8.555 1.00 0.00 H new ATOM 0 HA MET A 42 -1.795 -13.014 -10.360 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.205 -10.859 -10.289 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.688 -12.159 -11.360 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.039 -11.790 -12.836 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.135 -11.219 -11.594 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.599 -9.148 -12.008 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.273 -10.633 -12.934 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.204 -9.048 -13.740 1.00 0.00 H new ATOM 684 N GLY A 43 1.351 -13.775 -9.823 1.00 0.00 N ATOM 685 CA GLY A 43 2.266 -14.895 -9.712 1.00 0.00 C ATOM 686 C GLY A 43 3.703 -14.454 -9.542 1.00 0.00 C ATOM 687 O GLY A 43 4.627 -15.127 -9.999 1.00 0.00 O ATOM 0 H GLY A 43 1.800 -12.862 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.976 -15.514 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.183 -15.517 -10.603 1.00 0.00 H new ATOM 691 N GLU A 44 3.884 -13.320 -8.891 1.00 0.00 N ATOM 692 CA GLU A 44 5.218 -12.773 -8.661 1.00 0.00 C ATOM 693 C GLU A 44 5.804 -13.284 -7.348 1.00 0.00 C ATOM 694 O GLU A 44 5.203 -14.118 -6.672 1.00 0.00 O ATOM 695 CB GLU A 44 5.167 -11.247 -8.654 1.00 0.00 C ATOM 696 CG GLU A 44 5.301 -10.627 -10.036 1.00 0.00 C ATOM 697 CD GLU A 44 4.105 -9.776 -10.414 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.964 -10.267 -10.290 1.00 0.00 O ATOM 699 OE2 GLU A 44 4.310 -8.617 -10.833 1.00 0.00 O ATOM 0 H GLU A 44 3.125 -12.755 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 44 5.864 -13.106 -9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.225 -10.925 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.965 -10.868 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.202 -10.015 -10.069 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.426 -11.419 -10.774 1.00 0.00 H new ATOM 706 N THR A 45 6.983 -12.778 -6.993 1.00 0.00 N ATOM 707 CA THR A 45 7.649 -13.183 -5.761 1.00 0.00 C ATOM 708 C THR A 45 7.512 -12.097 -4.699 1.00 0.00 C ATOM 709 O THR A 45 7.258 -10.939 -5.018 1.00 0.00 O ATOM 710 CB THR A 45 9.131 -13.471 -6.030 1.00 0.00 C ATOM 711 OG1 THR A 45 9.437 -13.301 -7.403 1.00 0.00 O ATOM 712 CG2 THR A 45 9.551 -14.870 -5.638 1.00 0.00 C ATOM 0 H THR A 45 7.495 -12.087 -7.542 1.00 0.00 H new ATOM 0 HA THR A 45 7.173 -14.092 -5.394 1.00 0.00 H new ATOM 0 HB THR A 45 9.677 -12.758 -5.413 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.387 -13.488 -7.552 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.610 -15.006 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.377 -15.017 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.968 -15.597 -6.204 1.00 0.00 H new ATOM 720 N PRO A 46 7.684 -12.451 -3.417 1.00 0.00 N ATOM 721 CA PRO A 46 7.582 -11.494 -2.313 1.00 0.00 C ATOM 722 C PRO A 46 8.377 -10.216 -2.573 1.00 0.00 C ATOM 723 O PRO A 46 8.080 -9.165 -2.006 1.00 0.00 O ATOM 724 CB PRO A 46 8.165 -12.259 -1.111 1.00 0.00 C ATOM 725 CG PRO A 46 8.768 -13.503 -1.677 1.00 0.00 C ATOM 726 CD PRO A 46 7.997 -13.796 -2.927 1.00 0.00 C ATOM 0 HA PRO A 46 6.555 -11.162 -2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.915 -11.661 -0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.388 -12.496 -0.384 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.827 -13.361 -1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.696 -14.329 -0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.587 -14.365 -3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.097 -14.376 -2.724 1.00 0.00 H new ATOM 734 N GLU A 47 9.397 -10.315 -3.423 1.00 0.00 N ATOM 735 CA GLU A 47 10.242 -9.167 -3.739 1.00 0.00 C ATOM 736 C GLU A 47 9.828 -8.486 -5.046 1.00 0.00 C ATOM 737 O GLU A 47 9.721 -7.262 -5.105 1.00 0.00 O ATOM 738 CB GLU A 47 11.706 -9.604 -3.825 1.00 0.00 C ATOM 739 CG GLU A 47 12.547 -9.144 -2.646 1.00 0.00 C ATOM 740 CD GLU A 47 13.655 -10.122 -2.305 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.360 -11.327 -2.161 1.00 0.00 O ATOM 742 OE2 GLU A 47 14.817 -9.682 -2.181 1.00 0.00 O ATOM 0 H GLU A 47 9.657 -11.176 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 47 10.117 -8.441 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.749 -10.691 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.140 -9.213 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.983 -8.171 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.904 -9.010 -1.776 1.00 0.00 H new ATOM 749 N GLN A 48 9.617 -9.274 -6.099 1.00 0.00 N ATOM 750 CA GLN A 48 9.241 -8.721 -7.398 1.00 0.00 C ATOM 751 C GLN A 48 7.756 -8.385 -7.462 1.00 0.00 C ATOM 752 O GLN A 48 7.342 -7.523 -8.235 1.00 0.00 O ATOM 753 CB GLN A 48 9.601 -9.703 -8.515 1.00 0.00 C ATOM 754 CG GLN A 48 11.073 -9.684 -8.893 1.00 0.00 C ATOM 755 CD GLN A 48 11.334 -8.928 -10.181 1.00 0.00 C ATOM 756 OE1 GLN A 48 10.478 -8.870 -11.064 1.00 0.00 O ATOM 757 NE2 GLN A 48 12.521 -8.345 -10.296 1.00 0.00 N ATOM 0 H GLN A 48 9.699 -10.290 -6.079 1.00 0.00 H new ATOM 0 HA GLN A 48 9.799 -7.795 -7.534 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.328 -10.711 -8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.005 -9.470 -9.398 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.646 -9.228 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.431 -10.708 -8.998 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.201 -8.419 -9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.753 -7.823 -11.141 1.00 0.00 H new ATOM 766 N ALA A 49 6.957 -9.066 -6.654 1.00 0.00 N ATOM 767 CA ALA A 49 5.520 -8.830 -6.633 1.00 0.00 C ATOM 768 C ALA A 49 5.212 -7.364 -6.360 1.00 0.00 C ATOM 769 O ALA A 49 4.404 -6.752 -7.052 1.00 0.00 O ATOM 770 CB ALA A 49 4.849 -9.718 -5.597 1.00 0.00 C ATOM 0 H ALA A 49 7.278 -9.785 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 49 5.121 -9.082 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.776 -9.528 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.032 -10.764 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.258 -9.499 -4.611 1.00 0.00 H new ATOM 776 N VAL A 50 5.866 -6.807 -5.350 1.00 0.00 N ATOM 777 CA VAL A 50 5.661 -5.409 -4.991 1.00 0.00 C ATOM 778 C VAL A 50 6.412 -4.480 -5.940 1.00 0.00 C ATOM 779 O VAL A 50 5.870 -3.479 -6.403 1.00 0.00 O ATOM 780 CB VAL A 50 6.116 -5.125 -3.541 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.652 -6.232 -2.605 1.00 0.00 C ATOM 782 CG2 VAL A 50 7.629 -4.955 -3.468 1.00 0.00 C ATOM 0 H VAL A 50 6.541 -7.300 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 50 4.591 -5.217 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 50 5.656 -4.191 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.983 -6.013 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.564 -6.295 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.077 -7.183 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.923 -4.756 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.115 -5.867 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.932 -4.120 -4.100 1.00 0.00 H new ATOM 792 N VAL A 51 7.669 -4.817 -6.207 1.00 0.00 N ATOM 793 CA VAL A 51 8.513 -4.014 -7.077 1.00 0.00 C ATOM 794 C VAL A 51 7.956 -3.953 -8.490 1.00 0.00 C ATOM 795 O VAL A 51 8.066 -2.930 -9.166 1.00 0.00 O ATOM 796 CB VAL A 51 9.953 -4.565 -7.117 1.00 0.00 C ATOM 797 CG1 VAL A 51 10.845 -3.692 -7.986 1.00 0.00 C ATOM 798 CG2 VAL A 51 10.517 -4.676 -5.710 1.00 0.00 C ATOM 0 H VAL A 51 8.126 -5.647 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 51 8.528 -3.006 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 51 9.925 -5.561 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.855 -4.102 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.451 -3.668 -9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.869 -2.680 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.534 -5.066 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.527 -3.691 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.895 -5.350 -5.121 1.00 0.00 H new ATOM 808 N ARG A 52 7.366 -5.051 -8.939 1.00 0.00 N ATOM 809 CA ARG A 52 6.809 -5.109 -10.279 1.00 0.00 C ATOM 810 C ARG A 52 5.457 -4.403 -10.353 1.00 0.00 C ATOM 811 O ARG A 52 5.174 -3.690 -11.316 1.00 0.00 O ATOM 812 CB ARG A 52 6.672 -6.559 -10.745 1.00 0.00 C ATOM 813 CG ARG A 52 6.646 -6.710 -12.258 1.00 0.00 C ATOM 814 CD ARG A 52 5.224 -6.706 -12.799 1.00 0.00 C ATOM 815 NE ARG A 52 4.828 -8.019 -13.304 1.00 0.00 N ATOM 816 CZ ARG A 52 3.841 -8.212 -14.175 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.142 -7.183 -14.638 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.550 -9.440 -14.584 1.00 0.00 N ATOM 0 H ARG A 52 7.262 -5.909 -8.397 1.00 0.00 H new ATOM 0 HA ARG A 52 7.499 -4.589 -10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.502 -7.141 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.757 -6.981 -10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.211 -5.898 -12.715 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.140 -7.640 -12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.537 -6.398 -12.011 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.142 -5.970 -13.599 1.00 0.00 H new ATOM 0 HE ARG A 52 5.339 -8.836 -12.969 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.360 -6.237 -14.326 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.387 -7.339 -15.306 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.083 -10.235 -14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.794 -9.589 -15.252 1.00 0.00 H new ATOM 832 N GLU A 53 4.622 -4.606 -9.338 1.00 0.00 N ATOM 833 CA GLU A 53 3.300 -3.989 -9.307 1.00 0.00 C ATOM 834 C GLU A 53 3.382 -2.522 -8.895 1.00 0.00 C ATOM 835 O GLU A 53 2.517 -1.723 -9.254 1.00 0.00 O ATOM 836 CB GLU A 53 2.375 -4.749 -8.353 1.00 0.00 C ATOM 837 CG GLU A 53 1.115 -5.276 -9.020 1.00 0.00 C ATOM 838 CD GLU A 53 0.263 -4.173 -9.616 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.518 -3.554 -8.863 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.378 -3.928 -10.835 1.00 0.00 O ATOM 0 H GLU A 53 4.836 -5.190 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 53 2.889 -4.038 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.923 -5.585 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.093 -4.090 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.392 -5.980 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.526 -5.829 -8.289 1.00 0.00 H new ATOM 847 N LEU A 54 4.420 -2.166 -8.141 1.00 0.00 N ATOM 848 CA LEU A 54 4.587 -0.787 -7.692 1.00 0.00 C ATOM 849 C LEU A 54 4.641 0.160 -8.882 1.00 0.00 C ATOM 850 O LEU A 54 3.980 1.197 -8.892 1.00 0.00 O ATOM 851 CB LEU A 54 5.859 -0.647 -6.855 1.00 0.00 C ATOM 852 CG LEU A 54 5.636 -0.499 -5.347 1.00 0.00 C ATOM 853 CD1 LEU A 54 4.534 -1.432 -4.859 1.00 0.00 C ATOM 854 CD2 LEU A 54 6.933 -0.761 -4.600 1.00 0.00 C ATOM 0 H LEU A 54 5.151 -2.806 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 54 3.729 -0.524 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.487 -1.521 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.415 0.221 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 54 5.316 0.523 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.398 -1.304 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.602 -1.195 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.812 -2.465 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.764 -0.653 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.278 -1.773 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.689 -0.045 -4.922 1.00 0.00 H new ATOM 866 N GLN A 55 5.408 -0.216 -9.898 1.00 0.00 N ATOM 867 CA GLN A 55 5.513 0.597 -11.101 1.00 0.00 C ATOM 868 C GLN A 55 4.132 0.768 -11.721 1.00 0.00 C ATOM 869 O GLN A 55 3.855 1.754 -12.404 1.00 0.00 O ATOM 870 CB GLN A 55 6.472 -0.049 -12.105 1.00 0.00 C ATOM 871 CG GLN A 55 7.651 0.837 -12.474 1.00 0.00 C ATOM 872 CD GLN A 55 8.586 1.077 -11.305 1.00 0.00 C ATOM 873 OE1 GLN A 55 9.534 0.323 -11.088 1.00 0.00 O ATOM 874 NE2 GLN A 55 8.323 2.133 -10.544 1.00 0.00 N ATOM 0 H GLN A 55 5.962 -1.072 -9.913 1.00 0.00 H new ATOM 0 HA GLN A 55 5.911 1.576 -10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.847 -0.984 -11.688 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.921 -0.302 -13.011 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.207 0.375 -13.290 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.281 1.794 -12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.526 2.732 -10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.918 2.345 -9.743 1.00 0.00 H new ATOM 883 N GLU A 56 3.267 -0.210 -11.463 1.00 0.00 N ATOM 884 CA GLU A 56 1.908 -0.191 -11.973 1.00 0.00 C ATOM 885 C GLU A 56 1.035 0.762 -11.171 1.00 0.00 C ATOM 886 O GLU A 56 0.046 1.278 -11.684 1.00 0.00 O ATOM 887 CB GLU A 56 1.304 -1.593 -11.922 1.00 0.00 C ATOM 888 CG GLU A 56 0.321 -1.879 -13.045 1.00 0.00 C ATOM 889 CD GLU A 56 -1.122 -1.856 -12.579 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.383 -2.278 -11.432 1.00 0.00 O ATOM 891 OE2 GLU A 56 -1.991 -1.416 -13.360 1.00 0.00 O ATOM 0 H GLU A 56 3.491 -1.030 -10.899 1.00 0.00 H new ATOM 0 HA GLU A 56 1.946 0.154 -13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.109 -2.327 -11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.798 -1.726 -10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.455 -1.141 -13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.543 -2.854 -13.478 1.00 0.00 H new ATOM 898 N GLU A 57 1.386 0.985 -9.904 1.00 0.00 N ATOM 899 CA GLU A 57 0.594 1.873 -9.062 1.00 0.00 C ATOM 900 C GLU A 57 1.308 3.195 -8.779 1.00 0.00 C ATOM 901 O GLU A 57 0.806 4.030 -8.028 1.00 0.00 O ATOM 902 CB GLU A 57 0.222 1.179 -7.756 1.00 0.00 C ATOM 903 CG GLU A 57 -1.223 0.708 -7.729 1.00 0.00 C ATOM 904 CD GLU A 57 -1.350 -0.796 -7.857 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.407 -1.508 -7.451 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.393 -1.263 -8.360 1.00 0.00 O ATOM 0 H GLU A 57 2.198 0.570 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.316 2.110 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.881 0.324 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.392 1.864 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.688 1.030 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.772 1.185 -8.541 1.00 0.00 H new ATOM 913 N VAL A 58 2.465 3.395 -9.405 1.00 0.00 N ATOM 914 CA VAL A 58 3.220 4.630 -9.238 1.00 0.00 C ATOM 915 C VAL A 58 3.697 5.125 -10.597 1.00 0.00 C ATOM 916 O VAL A 58 3.592 6.308 -10.919 1.00 0.00 O ATOM 917 CB VAL A 58 4.443 4.467 -8.302 1.00 0.00 C ATOM 918 CG1 VAL A 58 4.740 5.777 -7.593 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.232 3.353 -7.281 1.00 0.00 C ATOM 0 H VAL A 58 2.898 2.717 -10.032 1.00 0.00 H new ATOM 0 HA VAL A 58 2.547 5.352 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 58 5.296 4.190 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.602 5.649 -6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.957 6.549 -8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.875 6.074 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.113 3.272 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.361 3.582 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.072 2.409 -7.801 1.00 0.00 H new ATOM 929 N GLY A 59 4.202 4.188 -11.395 1.00 0.00 N ATOM 930 CA GLY A 59 4.676 4.500 -12.729 1.00 0.00 C ATOM 931 C GLY A 59 5.805 5.521 -12.773 1.00 0.00 C ATOM 932 O GLY A 59 6.289 5.862 -13.851 1.00 0.00 O ATOM 0 H GLY A 59 4.291 3.206 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.016 3.580 -13.205 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.840 4.875 -13.320 1.00 0.00 H new ATOM 936 N ILE A 60 6.241 6.006 -11.617 1.00 0.00 N ATOM 937 CA ILE A 60 7.317 6.975 -11.563 1.00 0.00 C ATOM 938 C ILE A 60 8.599 6.316 -11.080 1.00 0.00 C ATOM 939 O ILE A 60 8.654 5.098 -10.917 1.00 0.00 O ATOM 940 CB ILE A 60 6.979 8.152 -10.627 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.963 7.740 -9.564 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.466 9.341 -11.426 1.00 0.00 C ATOM 943 CD1 ILE A 60 6.008 8.605 -8.323 1.00 0.00 C ATOM 0 H ILE A 60 5.863 5.741 -10.707 1.00 0.00 H new ATOM 0 HA ILE A 60 7.452 7.360 -12.574 1.00 0.00 H new ATOM 0 HB ILE A 60 7.896 8.447 -10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.962 7.784 -9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.144 6.703 -9.282 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.233 10.162 -10.748 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.231 9.661 -12.134 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.566 9.053 -11.970 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.261 8.257 -7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.998 8.542 -7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.798 9.640 -8.593 1.00 0.00 H new ATOM 955 N THR A 61 9.626 7.123 -10.857 1.00 0.00 N ATOM 956 CA THR A 61 10.896 6.623 -10.397 1.00 0.00 C ATOM 957 C THR A 61 11.195 7.143 -8.995 1.00 0.00 C ATOM 958 O THR A 61 11.802 8.202 -8.836 1.00 0.00 O ATOM 959 CB THR A 61 11.962 7.097 -11.365 1.00 0.00 C ATOM 960 OG1 THR A 61 11.645 8.388 -11.857 1.00 0.00 O ATOM 961 CG2 THR A 61 12.134 6.184 -12.557 1.00 0.00 C ATOM 0 H THR A 61 9.595 8.134 -10.991 1.00 0.00 H new ATOM 0 HA THR A 61 10.877 5.534 -10.355 1.00 0.00 H new ATOM 0 HB THR A 61 12.892 7.104 -10.796 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.343 8.681 -12.479 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.912 6.581 -13.210 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.420 5.189 -12.215 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.195 6.123 -13.107 1.00 0.00 H new ATOM 969 N PRO A 62 10.739 6.427 -7.955 1.00 0.00 N ATOM 970 CA PRO A 62 10.907 6.815 -6.573 1.00 0.00 C ATOM 971 C PRO A 62 11.837 5.902 -5.798 1.00 0.00 C ATOM 972 O PRO A 62 11.896 4.705 -6.074 1.00 0.00 O ATOM 973 CB PRO A 62 9.486 6.575 -6.057 1.00 0.00 C ATOM 974 CG PRO A 62 8.948 5.439 -6.895 1.00 0.00 C ATOM 975 CD PRO A 62 9.949 5.197 -8.001 1.00 0.00 C ATOM 0 HA PRO A 62 11.327 7.815 -6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.490 6.316 -4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.872 7.469 -6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.816 4.542 -6.290 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.971 5.692 -7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.558 4.312 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.466 5.056 -8.968 1.00 0.00 H new ATOM 983 N GLN A 63 12.481 6.431 -4.759 1.00 0.00 N ATOM 984 CA GLN A 63 13.280 5.570 -3.913 1.00 0.00 C ATOM 985 C GLN A 63 12.247 4.816 -3.103 1.00 0.00 C ATOM 986 O GLN A 63 11.910 5.178 -1.976 1.00 0.00 O ATOM 987 CB GLN A 63 14.219 6.372 -3.009 1.00 0.00 C ATOM 988 CG GLN A 63 15.195 7.248 -3.774 1.00 0.00 C ATOM 989 CD GLN A 63 16.046 8.111 -2.861 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.012 9.339 -2.938 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.817 7.469 -1.990 1.00 0.00 N ATOM 0 H GLN A 63 12.464 7.416 -4.495 1.00 0.00 H new ATOM 0 HA GLN A 63 13.936 4.914 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.624 6.999 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.780 5.682 -2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.845 6.617 -4.381 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.641 7.888 -4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.814 6.449 -1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.412 7.996 -1.351 1.00 0.00 H new ATOM 1000 N HIS A 64 11.680 3.823 -3.764 1.00 0.00 N ATOM 1001 CA HIS A 64 10.588 3.042 -3.224 1.00 0.00 C ATOM 1002 C HIS A 64 11.006 1.614 -2.912 1.00 0.00 C ATOM 1003 O HIS A 64 11.465 0.879 -3.786 1.00 0.00 O ATOM 1004 CB HIS A 64 9.448 3.108 -4.253 1.00 0.00 C ATOM 1005 CG HIS A 64 9.531 2.093 -5.354 1.00 0.00 C ATOM 1006 ND1 HIS A 64 10.708 1.757 -5.988 1.00 0.00 N ATOM 1007 CD2 HIS A 64 8.565 1.346 -5.941 1.00 0.00 C ATOM 1008 CE1 HIS A 64 10.464 0.849 -6.917 1.00 0.00 C ATOM 1009 NE2 HIS A 64 9.172 0.583 -6.908 1.00 0.00 N ATOM 0 H HIS A 64 11.969 3.535 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 64 10.259 3.449 -2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.500 2.980 -3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.436 4.104 -4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.514 1.350 -5.694 1.00 0.00 H new ATOM 0 HE1 HIS A 64 11.197 0.401 -7.572 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.700 -0.082 -7.521 1.00 0.00 H new ATOM 1018 N PHE A 65 10.873 1.240 -1.644 1.00 0.00 N ATOM 1019 CA PHE A 65 11.265 -0.083 -1.203 1.00 0.00 C ATOM 1020 C PHE A 65 10.973 -0.264 0.293 1.00 0.00 C ATOM 1021 O PHE A 65 10.028 0.317 0.823 1.00 0.00 O ATOM 1022 CB PHE A 65 12.757 -0.246 -1.474 1.00 0.00 C ATOM 1023 CG PHE A 65 13.148 -1.610 -1.966 1.00 0.00 C ATOM 1024 CD1 PHE A 65 12.650 -2.096 -3.164 1.00 0.00 C ATOM 1025 CD2 PHE A 65 14.017 -2.405 -1.235 1.00 0.00 C ATOM 1026 CE1 PHE A 65 13.009 -3.349 -3.623 1.00 0.00 C ATOM 1027 CE2 PHE A 65 14.379 -3.659 -1.689 1.00 0.00 C ATOM 1028 CZ PHE A 65 13.875 -4.131 -2.886 1.00 0.00 C ATOM 0 H PHE A 65 10.497 1.838 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 65 10.697 -0.839 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 65 13.064 0.496 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.307 -0.031 -0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.973 -1.488 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.416 -2.040 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 65 12.612 -3.716 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 65 15.055 -4.270 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 65 14.158 -5.110 -3.244 1.00 0.00 H new ATOM 1038 N SER A 66 11.802 -1.062 0.961 1.00 0.00 N ATOM 1039 CA SER A 66 11.671 -1.319 2.389 1.00 0.00 C ATOM 1040 C SER A 66 10.302 -1.882 2.744 1.00 0.00 C ATOM 1041 O SER A 66 9.347 -1.765 1.977 1.00 0.00 O ATOM 1042 CB SER A 66 11.931 -0.037 3.182 1.00 0.00 C ATOM 1043 OG SER A 66 13.253 -0.010 3.688 1.00 0.00 O ATOM 0 H SER A 66 12.585 -1.549 0.524 1.00 0.00 H new ATOM 0 HA SER A 66 12.415 -2.069 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.765 0.830 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.221 0.035 4.006 1.00 0.00 H new ATOM 0 HG SER A 66 13.394 0.820 4.189 1.00 0.00 H new ATOM 1049 N LEU A 67 10.222 -2.489 3.923 1.00 0.00 N ATOM 1050 CA LEU A 67 8.980 -3.070 4.405 1.00 0.00 C ATOM 1051 C LEU A 67 8.628 -2.507 5.777 1.00 0.00 C ATOM 1052 O LEU A 67 9.363 -2.701 6.744 1.00 0.00 O ATOM 1053 CB LEU A 67 9.096 -4.595 4.475 1.00 0.00 C ATOM 1054 CG LEU A 67 7.929 -5.304 5.167 1.00 0.00 C ATOM 1055 CD1 LEU A 67 7.644 -6.641 4.499 1.00 0.00 C ATOM 1056 CD2 LEU A 67 8.226 -5.493 6.647 1.00 0.00 C ATOM 0 H LEU A 67 11.009 -2.590 4.564 1.00 0.00 H new ATOM 0 HA LEU A 67 8.184 -2.812 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.187 -4.984 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.018 -4.850 4.998 1.00 0.00 H new ATOM 0 HG LEU A 67 7.040 -4.681 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.811 -7.130 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.387 -6.477 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.529 -7.275 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.387 -5.998 7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.127 -6.096 6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.378 -4.520 7.115 1.00 0.00 H new ATOM 1068 N PHE A 68 7.500 -1.810 5.856 1.00 0.00 N ATOM 1069 CA PHE A 68 7.058 -1.225 7.114 1.00 0.00 C ATOM 1070 C PHE A 68 6.468 -2.310 8.014 1.00 0.00 C ATOM 1071 O PHE A 68 6.926 -2.519 9.137 1.00 0.00 O ATOM 1072 CB PHE A 68 6.034 -0.111 6.838 1.00 0.00 C ATOM 1073 CG PHE A 68 4.860 -0.081 7.779 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.911 0.657 8.950 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.705 -0.787 7.486 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.830 0.691 9.810 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.621 -0.759 8.342 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.684 -0.018 9.507 1.00 0.00 C ATOM 0 H PHE A 68 6.878 -1.637 5.066 1.00 0.00 H new ATOM 0 HA PHE A 68 7.910 -0.784 7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.544 0.851 6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.662 -0.224 5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.805 1.212 9.193 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.651 -1.367 6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.881 1.272 10.719 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.727 -1.315 8.101 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.839 0.007 10.179 1.00 0.00 H new ATOM 1088 N GLU A 69 5.464 -3.008 7.498 1.00 0.00 N ATOM 1089 CA GLU A 69 4.818 -4.088 8.232 1.00 0.00 C ATOM 1090 C GLU A 69 3.842 -4.830 7.325 1.00 0.00 C ATOM 1091 O GLU A 69 3.033 -4.213 6.638 1.00 0.00 O ATOM 1092 CB GLU A 69 4.091 -3.546 9.463 1.00 0.00 C ATOM 1093 CG GLU A 69 4.785 -3.879 10.773 1.00 0.00 C ATOM 1094 CD GLU A 69 3.864 -3.744 11.971 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.976 -4.606 12.137 1.00 0.00 O ATOM 1096 OE2 GLU A 69 4.032 -2.776 12.742 1.00 0.00 O ATOM 0 H GLU A 69 5.078 -2.844 6.568 1.00 0.00 H new ATOM 0 HA GLU A 69 5.586 -4.785 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.000 -2.463 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.079 -3.950 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.169 -4.898 10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.643 -3.220 10.903 1.00 0.00 H new ATOM 1103 N LYS A 70 3.920 -6.153 7.321 1.00 0.00 N ATOM 1104 CA LYS A 70 3.036 -6.955 6.486 1.00 0.00 C ATOM 1105 C LYS A 70 2.146 -7.855 7.339 1.00 0.00 C ATOM 1106 O LYS A 70 2.624 -8.536 8.247 1.00 0.00 O ATOM 1107 CB LYS A 70 3.853 -7.806 5.511 1.00 0.00 C ATOM 1108 CG LYS A 70 4.887 -8.689 6.192 1.00 0.00 C ATOM 1109 CD LYS A 70 5.049 -10.015 5.467 1.00 0.00 C ATOM 1110 CE LYS A 70 4.211 -11.108 6.110 1.00 0.00 C ATOM 1111 NZ LYS A 70 4.880 -12.436 6.040 1.00 0.00 N ATOM 0 H LYS A 70 4.581 -6.691 7.882 1.00 0.00 H new ATOM 0 HA LYS A 70 2.399 -6.275 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.175 -8.434 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.358 -7.149 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.845 -8.171 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.589 -8.871 7.224 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.757 -9.898 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.099 -10.309 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.020 -10.853 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.243 -11.163 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.276 -13.153 6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.040 -12.692 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.793 -12.392 6.537 1.00 0.00 H new ATOM 1125 N LEU A 71 0.851 -7.853 7.042 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.104 -8.668 7.777 1.00 0.00 C ATOM 1127 C LEU A 71 -0.763 -9.686 6.850 1.00 0.00 C ATOM 1128 O LEU A 71 -1.178 -9.355 5.740 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.164 -7.774 8.427 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.362 -8.514 9.029 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.249 -8.571 10.544 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.666 -7.849 8.615 1.00 0.00 C ATOM 0 H LEU A 71 0.440 -7.294 6.295 1.00 0.00 H new ATOM 0 HA LEU A 71 0.427 -9.210 8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.689 -7.186 9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.530 -7.070 7.680 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.361 -9.535 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.109 -9.101 10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.335 -9.095 10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.222 -7.558 10.945 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.505 -8.390 9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.676 -6.817 8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.753 -7.863 7.529 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.855 -10.927 7.314 1.00 0.00 N ATOM 1145 CA GLU A 72 -1.459 -11.995 6.533 1.00 0.00 C ATOM 1146 C GLU A 72 -2.656 -12.594 7.269 1.00 0.00 C ATOM 1147 O GLU A 72 -2.498 -13.276 8.281 1.00 0.00 O ATOM 1148 CB GLU A 72 -0.415 -13.079 6.236 1.00 0.00 C ATOM 1149 CG GLU A 72 -1.010 -14.421 5.846 1.00 0.00 C ATOM 1150 CD GLU A 72 -0.004 -15.333 5.170 1.00 0.00 C ATOM 1151 OE1 GLU A 72 0.367 -15.052 4.011 1.00 0.00 O ATOM 1152 OE2 GLU A 72 0.412 -16.328 5.800 1.00 0.00 O ATOM 0 H GLU A 72 -0.517 -11.217 8.232 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.816 -11.579 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.234 -12.733 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.214 -13.214 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.400 -14.914 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.855 -14.259 5.176 1.00 0.00 H new ATOM 1159 N TYR A 73 -3.851 -12.336 6.748 1.00 0.00 N ATOM 1160 CA TYR A 73 -5.076 -12.852 7.348 1.00 0.00 C ATOM 1161 C TYR A 73 -5.899 -13.610 6.314 1.00 0.00 C ATOM 1162 O TYR A 73 -5.809 -13.339 5.117 1.00 0.00 O ATOM 1163 CB TYR A 73 -5.903 -11.708 7.938 1.00 0.00 C ATOM 1164 CG TYR A 73 -7.123 -12.171 8.700 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -6.995 -12.892 9.881 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -8.403 -11.888 8.241 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -8.108 -13.319 10.581 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -9.521 -12.311 8.935 1.00 0.00 C ATOM 1169 CZ TYR A 73 -9.368 -13.025 10.104 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.478 -13.448 10.798 1.00 0.00 O ATOM 0 H TYR A 73 -3.997 -11.772 5.911 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.802 -13.539 8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.271 -11.120 8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.219 -11.046 7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.010 -13.123 10.258 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.527 -11.328 7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.991 -13.880 11.497 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.509 -12.083 8.563 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.288 -13.158 10.328 1.00 0.00 H new ATOM 1180 N GLU A 74 -6.701 -14.565 6.774 1.00 0.00 N ATOM 1181 CA GLU A 74 -7.531 -15.354 5.872 1.00 0.00 C ATOM 1182 C GLU A 74 -9.009 -15.220 6.216 1.00 0.00 C ATOM 1183 O GLU A 74 -9.405 -15.319 7.378 1.00 0.00 O ATOM 1184 CB GLU A 74 -7.122 -16.828 5.904 1.00 0.00 C ATOM 1185 CG GLU A 74 -6.816 -17.350 7.297 1.00 0.00 C ATOM 1186 CD GLU A 74 -5.984 -18.617 7.276 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -4.748 -18.514 7.131 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -6.569 -19.714 7.405 1.00 0.00 O ATOM 0 H GLU A 74 -6.793 -14.810 7.760 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.376 -14.965 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.923 -17.427 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.243 -16.965 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.287 -16.582 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.751 -17.543 7.822 1.00 0.00 H new ATOM 1195 N PHE A 75 -9.817 -15.006 5.187 1.00 0.00 N ATOM 1196 CA PHE A 75 -11.258 -14.867 5.344 1.00 0.00 C ATOM 1197 C PHE A 75 -11.948 -16.200 5.067 1.00 0.00 C ATOM 1198 O PHE A 75 -11.351 -17.094 4.472 1.00 0.00 O ATOM 1199 CB PHE A 75 -11.792 -13.786 4.402 1.00 0.00 C ATOM 1200 CG PHE A 75 -12.248 -12.542 5.110 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -11.412 -11.889 6.001 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -13.515 -12.026 4.884 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -11.830 -10.745 6.654 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -13.938 -10.882 5.535 1.00 0.00 C ATOM 1205 CZ PHE A 75 -13.095 -10.241 6.421 1.00 0.00 C ATOM 0 H PHE A 75 -9.494 -14.924 4.223 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.472 -14.569 6.371 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -11.013 -13.522 3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -12.625 -14.194 3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.422 -12.278 6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -14.179 -12.523 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.168 -10.245 7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.927 -10.490 5.351 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.424 -9.347 6.931 1.00 0.00 H new ATOM 1215 N PRO A 76 -13.213 -16.351 5.498 1.00 0.00 N ATOM 1216 CA PRO A 76 -13.988 -17.578 5.295 1.00 0.00 C ATOM 1217 C PRO A 76 -13.910 -18.086 3.859 1.00 0.00 C ATOM 1218 O PRO A 76 -14.815 -17.858 3.056 1.00 0.00 O ATOM 1219 CB PRO A 76 -15.430 -17.174 5.650 1.00 0.00 C ATOM 1220 CG PRO A 76 -15.403 -15.691 5.834 1.00 0.00 C ATOM 1221 CD PRO A 76 -13.993 -15.339 6.208 1.00 0.00 C ATOM 0 HA PRO A 76 -13.607 -18.396 5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -16.122 -17.457 4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.764 -17.675 6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.702 -15.180 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.100 -15.383 6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.730 -14.329 5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.835 -15.388 7.285 1.00 0.00 H new ATOM 1229 N ASP A 77 -12.813 -18.774 3.554 1.00 0.00 N ATOM 1230 CA ASP A 77 -12.570 -19.336 2.221 1.00 0.00 C ATOM 1231 C ASP A 77 -11.908 -18.318 1.292 1.00 0.00 C ATOM 1232 O ASP A 77 -11.837 -18.530 0.082 1.00 0.00 O ATOM 1233 CB ASP A 77 -13.872 -19.846 1.592 1.00 0.00 C ATOM 1234 CG ASP A 77 -13.669 -21.119 0.794 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -12.528 -21.365 0.349 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -14.651 -21.869 0.613 1.00 0.00 O ATOM 0 H ASP A 77 -12.065 -18.960 4.222 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.888 -20.176 2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.606 -20.026 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.285 -19.075 0.942 1.00 0.00 H new ATOM 1241 N ARG A 78 -11.421 -17.219 1.861 1.00 0.00 N ATOM 1242 CA ARG A 78 -10.763 -16.181 1.075 1.00 0.00 C ATOM 1243 C ARG A 78 -9.507 -15.672 1.778 1.00 0.00 C ATOM 1244 O ARG A 78 -9.577 -14.781 2.623 1.00 0.00 O ATOM 1245 CB ARG A 78 -11.725 -15.020 0.815 1.00 0.00 C ATOM 1246 CG ARG A 78 -11.670 -14.492 -0.610 1.00 0.00 C ATOM 1247 CD ARG A 78 -12.730 -13.428 -0.854 1.00 0.00 C ATOM 1248 NE ARG A 78 -13.525 -13.712 -2.047 1.00 0.00 N ATOM 1249 CZ ARG A 78 -14.524 -14.591 -2.080 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -14.854 -15.274 -0.990 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.196 -14.788 -3.206 1.00 0.00 N ATOM 0 H ARG A 78 -11.470 -17.025 2.861 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.467 -16.619 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.742 -15.346 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.495 -14.207 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.682 -14.074 -0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.812 -15.316 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.387 -13.365 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.250 -12.455 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.301 -13.207 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.341 -15.126 -0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.621 -15.946 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.947 -14.266 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.962 -15.461 -3.232 1.00 0.00 H new ATOM 1265 N HIS A 79 -8.357 -16.238 1.423 1.00 0.00 N ATOM 1266 CA HIS A 79 -7.090 -15.834 2.021 1.00 0.00 C ATOM 1267 C HIS A 79 -6.635 -14.486 1.470 1.00 0.00 C ATOM 1268 O HIS A 79 -6.243 -14.381 0.308 1.00 0.00 O ATOM 1269 CB HIS A 79 -6.017 -16.894 1.761 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.952 -16.938 2.812 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -4.152 -18.040 3.027 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -4.555 -16.006 3.711 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -3.310 -17.785 4.014 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -3.533 -16.558 4.445 1.00 0.00 N ATOM 0 H HIS A 79 -8.277 -16.977 0.725 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.239 -15.736 3.096 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.493 -17.873 1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.554 -16.700 0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.965 -15.014 3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.566 -18.465 4.402 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.028 -16.094 5.201 1.00 0.00 H new ATOM 1283 N ILE A 80 -6.694 -13.455 2.309 1.00 0.00 N ATOM 1284 CA ILE A 80 -6.296 -12.116 1.906 1.00 0.00 C ATOM 1285 C ILE A 80 -4.961 -11.726 2.541 1.00 0.00 C ATOM 1286 O ILE A 80 -4.868 -11.536 3.754 1.00 0.00 O ATOM 1287 CB ILE A 80 -7.375 -11.081 2.292 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -6.836 -9.660 2.139 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -7.857 -11.316 3.715 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -7.893 -8.647 1.755 1.00 0.00 C ATOM 0 H ILE A 80 -7.015 -13.525 3.275 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.182 -12.121 0.822 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.222 -11.203 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.375 -9.353 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.051 -9.658 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.617 -10.577 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.283 -12.316 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.017 -11.224 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.437 -7.661 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.338 -8.930 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.667 -8.620 2.522 1.00 0.00 H new ATOM 1302 N THR A 81 -3.932 -11.602 1.709 1.00 0.00 N ATOM 1303 CA THR A 81 -2.602 -11.229 2.181 1.00 0.00 C ATOM 1304 C THR A 81 -2.287 -9.783 1.814 1.00 0.00 C ATOM 1305 O THR A 81 -2.377 -9.400 0.650 1.00 0.00 O ATOM 1306 CB THR A 81 -1.550 -12.162 1.577 1.00 0.00 C ATOM 1307 OG1 THR A 81 -2.149 -13.352 1.098 1.00 0.00 O ATOM 1308 CG2 THR A 81 -0.466 -12.557 2.555 1.00 0.00 C ATOM 0 H THR A 81 -3.993 -11.755 0.702 1.00 0.00 H new ATOM 0 HA THR A 81 -2.583 -11.323 3.267 1.00 0.00 H new ATOM 0 HB THR A 81 -1.095 -11.594 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.451 -13.998 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.246 -13.218 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.051 -11.664 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.913 -13.074 3.404 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.922 -8.979 2.807 1.00 0.00 N ATOM 1317 CA LEU A 82 -1.599 -7.574 2.565 1.00 0.00 C ATOM 1318 C LEU A 82 -0.223 -7.213 3.121 1.00 0.00 C ATOM 1319 O LEU A 82 -0.008 -7.241 4.332 1.00 0.00 O ATOM 1320 CB LEU A 82 -2.666 -6.667 3.182 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.040 -6.991 4.631 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -2.361 -6.023 5.587 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -4.550 -6.951 4.815 1.00 0.00 C ATOM 0 H LEU A 82 -1.842 -9.271 3.781 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.579 -7.421 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.314 -5.636 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.566 -6.724 2.570 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.692 -7.999 4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.639 -6.269 6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.279 -6.100 5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.677 -5.005 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.797 -7.184 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.920 -5.956 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.016 -7.685 4.157 1.00 0.00 H new ATOM 1335 N TRP A 83 0.705 -6.868 2.229 1.00 0.00 N ATOM 1336 CA TRP A 83 2.056 -6.495 2.642 1.00 0.00 C ATOM 1337 C TRP A 83 2.274 -4.997 2.455 1.00 0.00 C ATOM 1338 O TRP A 83 2.123 -4.475 1.351 1.00 0.00 O ATOM 1339 CB TRP A 83 3.129 -7.263 1.849 1.00 0.00 C ATOM 1340 CG TRP A 83 2.673 -8.564 1.251 1.00 0.00 C ATOM 1341 CD1 TRP A 83 1.658 -9.369 1.685 1.00 0.00 C ATOM 1342 CD2 TRP A 83 3.237 -9.217 0.108 1.00 0.00 C ATOM 1343 NE1 TRP A 83 1.553 -10.475 0.877 1.00 0.00 N ATOM 1344 CE2 TRP A 83 2.512 -10.405 -0.097 1.00 0.00 C ATOM 1345 CE3 TRP A 83 4.285 -8.908 -0.764 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 2.802 -11.284 -1.137 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 4.572 -9.781 -1.796 1.00 0.00 C ATOM 1348 CH2 TRP A 83 3.832 -10.957 -1.975 1.00 0.00 C ATOM 0 H TRP A 83 0.547 -6.839 1.222 1.00 0.00 H new ATOM 0 HA TRP A 83 2.153 -6.756 3.696 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.494 -6.621 1.047 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.974 -7.461 2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.029 -9.165 2.539 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.871 -11.226 0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.860 -8.003 -0.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.234 -12.192 -1.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 5.380 -9.553 -2.476 1.00 0.00 H new ATOM 0 HH2 TRP A 83 4.080 -11.619 -2.792 1.00 0.00 H new ATOM 1359 N PHE A 84 2.630 -4.307 3.534 1.00 0.00 N ATOM 1360 CA PHE A 84 2.867 -2.864 3.468 1.00 0.00 C ATOM 1361 C PHE A 84 4.366 -2.553 3.431 1.00 0.00 C ATOM 1362 O PHE A 84 5.111 -2.923 4.338 1.00 0.00 O ATOM 1363 CB PHE A 84 2.207 -2.143 4.654 1.00 0.00 C ATOM 1364 CG PHE A 84 0.703 -2.284 4.718 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.003 -2.952 3.721 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.012 -1.746 5.782 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -1.371 -3.081 3.784 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.387 -1.875 5.846 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.066 -2.543 4.848 1.00 0.00 C ATOM 0 H PHE A 84 2.761 -4.717 4.459 1.00 0.00 H new ATOM 0 HA PHE A 84 2.416 -2.499 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.635 -2.528 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.458 -1.083 4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.540 -3.376 2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.512 -1.222 6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.901 -3.603 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.930 -1.452 6.678 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.140 -2.645 4.899 1.00 0.00 H new ATOM 1379 N TRP A 85 4.799 -1.874 2.366 1.00 0.00 N ATOM 1380 CA TRP A 85 6.208 -1.515 2.190 1.00 0.00 C ATOM 1381 C TRP A 85 6.461 -0.049 2.549 1.00 0.00 C ATOM 1382 O TRP A 85 5.575 0.794 2.406 1.00 0.00 O ATOM 1383 CB TRP A 85 6.651 -1.808 0.759 1.00 0.00 C ATOM 1384 CG TRP A 85 6.701 -3.276 0.471 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.677 -4.168 0.608 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.831 -4.028 0.016 1.00 0.00 C ATOM 1387 NE1 TRP A 85 6.099 -5.427 0.264 1.00 0.00 N ATOM 1388 CE2 TRP A 85 7.418 -5.369 -0.104 1.00 0.00 C ATOM 1389 CE3 TRP A 85 9.150 -3.698 -0.306 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 8.279 -6.378 -0.529 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 10.003 -4.700 -0.728 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.565 -6.026 -0.837 1.00 0.00 C ATOM 0 H TRP A 85 4.191 -1.561 1.609 1.00 0.00 H new ATOM 0 HA TRP A 85 6.801 -2.125 2.872 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.965 -1.326 0.062 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.636 -1.373 0.589 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.680 -3.919 0.939 1.00 0.00 H new ATOM 0 HE1 TRP A 85 5.524 -6.270 0.280 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.497 -2.678 -0.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.944 -7.401 -0.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 11.025 -4.456 -0.978 1.00 0.00 H new ATOM 0 HH2 TRP A 85 10.256 -6.786 -1.171 1.00 0.00 H new ATOM 1403 N LEU A 86 7.669 0.245 3.041 1.00 0.00 N ATOM 1404 CA LEU A 86 8.014 1.607 3.447 1.00 0.00 C ATOM 1405 C LEU A 86 8.840 2.345 2.390 1.00 0.00 C ATOM 1406 O LEU A 86 10.044 2.131 2.262 1.00 0.00 O ATOM 1407 CB LEU A 86 8.781 1.581 4.770 1.00 0.00 C ATOM 1408 CG LEU A 86 9.099 2.955 5.361 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.840 3.601 5.917 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.162 2.836 6.445 1.00 0.00 C ATOM 0 H LEU A 86 8.417 -0.437 3.166 1.00 0.00 H new ATOM 0 HA LEU A 86 7.076 2.150 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.200 1.015 5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.716 1.042 4.620 1.00 0.00 H new ATOM 0 HG LEU A 86 9.488 3.590 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.086 4.578 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.109 3.721 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.421 2.968 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.376 3.823 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.800 2.184 7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.072 2.415 6.017 1.00 0.00 H new ATOM 1422 N VAL A 87 8.181 3.243 1.664 1.00 0.00 N ATOM 1423 CA VAL A 87 8.827 4.056 0.632 1.00 0.00 C ATOM 1424 C VAL A 87 9.430 5.300 1.242 1.00 0.00 C ATOM 1425 O VAL A 87 8.888 5.842 2.205 1.00 0.00 O ATOM 1426 CB VAL A 87 7.838 4.515 -0.432 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.562 5.087 -1.641 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.913 3.375 -0.829 1.00 0.00 C ATOM 0 H VAL A 87 7.184 3.430 1.772 1.00 0.00 H new ATOM 0 HA VAL A 87 9.592 3.426 0.178 1.00 0.00 H new ATOM 0 HB VAL A 87 7.227 5.313 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.832 5.407 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.165 5.942 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.209 4.323 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.214 3.722 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.503 2.550 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.358 3.035 0.046 1.00 0.00 H new ATOM 1438 N GLU A 88 10.560 5.747 0.714 1.00 0.00 N ATOM 1439 CA GLU A 88 11.198 6.928 1.281 1.00 0.00 C ATOM 1440 C GLU A 88 10.995 8.214 0.462 1.00 0.00 C ATOM 1441 O GLU A 88 10.932 9.300 1.039 1.00 0.00 O ATOM 1442 CB GLU A 88 12.692 6.674 1.489 1.00 0.00 C ATOM 1443 CG GLU A 88 13.418 7.827 2.161 1.00 0.00 C ATOM 1444 CD GLU A 88 13.119 7.918 3.645 1.00 0.00 C ATOM 1445 OE1 GLU A 88 12.082 7.371 4.076 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.921 8.536 4.376 1.00 0.00 O ATOM 0 H GLU A 88 11.042 5.327 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 88 10.703 7.099 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.818 5.775 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.156 6.477 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.492 7.709 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.133 8.762 1.679 1.00 0.00 H new ATOM 1453 N ARG A 89 10.907 8.116 -0.862 1.00 0.00 N ATOM 1454 CA ARG A 89 10.731 9.308 -1.692 1.00 0.00 C ATOM 1455 C ARG A 89 10.227 8.951 -3.088 1.00 0.00 C ATOM 1456 O ARG A 89 10.277 7.792 -3.497 1.00 0.00 O ATOM 1457 CB ARG A 89 12.046 10.091 -1.786 1.00 0.00 C ATOM 1458 CG ARG A 89 13.097 9.429 -2.661 1.00 0.00 C ATOM 1459 CD ARG A 89 13.544 10.343 -3.794 1.00 0.00 C ATOM 1460 NE ARG A 89 14.025 11.633 -3.303 1.00 0.00 N ATOM 1461 CZ ARG A 89 13.303 12.754 -3.310 1.00 0.00 C ATOM 1462 NH1 ARG A 89 12.056 12.753 -3.770 1.00 0.00 N ATOM 1463 NH2 ARG A 89 13.831 13.881 -2.852 1.00 0.00 N ATOM 0 H ARG A 89 10.954 7.238 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 89 9.977 9.935 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.837 11.087 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.452 10.221 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.959 9.157 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.695 8.505 -3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.335 9.854 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.712 10.504 -4.479 1.00 0.00 H new ATOM 0 HE ARG A 89 14.974 11.679 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.643 11.889 -4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.512 13.616 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.787 13.889 -2.496 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.281 14.740 -2.856 1.00 0.00 H new ATOM 1477 N TRP A 90 9.751 9.958 -3.820 1.00 0.00 N ATOM 1478 CA TRP A 90 9.252 9.738 -5.172 1.00 0.00 C ATOM 1479 C TRP A 90 9.406 10.987 -6.037 1.00 0.00 C ATOM 1480 O TRP A 90 8.992 12.079 -5.650 1.00 0.00 O ATOM 1481 CB TRP A 90 7.789 9.276 -5.134 1.00 0.00 C ATOM 1482 CG TRP A 90 6.780 10.380 -5.039 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.418 11.246 -6.030 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.989 10.720 -3.897 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.448 12.102 -5.574 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.166 11.800 -4.269 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.892 10.216 -2.596 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.259 12.382 -3.390 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 4.992 10.796 -1.723 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.184 11.868 -2.124 1.00 0.00 C ATOM 0 H TRP A 90 9.702 10.925 -3.501 1.00 0.00 H new ATOM 0 HA TRP A 90 9.853 8.951 -5.627 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.584 8.693 -6.032 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.656 8.608 -4.283 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.834 11.256 -7.027 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.008 12.843 -6.119 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.509 9.388 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.636 13.210 -3.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.910 10.417 -0.715 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.487 12.298 -1.419 1.00 0.00 H new ATOM 1501 N GLU A 91 10.008 10.814 -7.215 1.00 0.00 N ATOM 1502 CA GLU A 91 10.216 11.925 -8.136 1.00 0.00 C ATOM 1503 C GLU A 91 8.922 12.279 -8.862 1.00 0.00 C ATOM 1504 O GLU A 91 8.201 11.399 -9.330 1.00 0.00 O ATOM 1505 CB GLU A 91 11.306 11.575 -9.152 1.00 0.00 C ATOM 1506 CG GLU A 91 11.595 12.691 -10.143 1.00 0.00 C ATOM 1507 CD GLU A 91 12.989 12.601 -10.732 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.240 11.668 -11.524 1.00 0.00 O ATOM 1509 OE2 GLU A 91 13.830 13.463 -10.401 1.00 0.00 O ATOM 0 H GLU A 91 10.358 9.917 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 91 10.534 12.791 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.223 11.328 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.007 10.682 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.861 12.656 -10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.476 13.654 -9.645 1.00 0.00 H new ATOM 1516 N GLY A 92 8.633 13.574 -8.948 1.00 0.00 N ATOM 1517 CA GLY A 92 7.424 14.020 -9.617 1.00 0.00 C ATOM 1518 C GLY A 92 6.169 13.647 -8.853 1.00 0.00 C ATOM 1519 O GLY A 92 6.034 13.968 -7.673 1.00 0.00 O ATOM 0 H GLY A 92 9.213 14.321 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.461 15.102 -9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.382 13.583 -10.615 1.00 0.00 H new ATOM 1523 N GLU A 93 5.248 12.968 -9.528 1.00 0.00 N ATOM 1524 CA GLU A 93 3.997 12.550 -8.906 1.00 0.00 C ATOM 1525 C GLU A 93 3.699 11.084 -9.215 1.00 0.00 C ATOM 1526 O GLU A 93 3.970 10.610 -10.318 1.00 0.00 O ATOM 1527 CB GLU A 93 2.844 13.432 -9.391 1.00 0.00 C ATOM 1528 CG GLU A 93 1.888 13.847 -8.285 1.00 0.00 C ATOM 1529 CD GLU A 93 1.350 15.252 -8.475 1.00 0.00 C ATOM 1530 OE1 GLU A 93 2.131 16.213 -8.315 1.00 0.00 O ATOM 1531 OE2 GLU A 93 0.147 15.391 -8.784 1.00 0.00 O ATOM 0 H GLU A 93 5.344 12.695 -10.506 1.00 0.00 H new ATOM 0 HA GLU A 93 4.100 12.660 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.254 14.327 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.287 12.897 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.055 13.145 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.400 13.785 -7.325 1.00 0.00 H new ATOM 1538 N PRO A 94 3.128 10.341 -8.247 1.00 0.00 N ATOM 1539 CA PRO A 94 2.788 8.931 -8.427 1.00 0.00 C ATOM 1540 C PRO A 94 1.533 8.766 -9.268 1.00 0.00 C ATOM 1541 O PRO A 94 0.508 9.388 -8.987 1.00 0.00 O ATOM 1542 CB PRO A 94 2.547 8.419 -6.995 1.00 0.00 C ATOM 1543 CG PRO A 94 2.886 9.560 -6.088 1.00 0.00 C ATOM 1544 CD PRO A 94 2.752 10.806 -6.910 1.00 0.00 C ATOM 0 HA PRO A 94 3.572 8.383 -8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.511 8.108 -6.861 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.171 7.551 -6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.215 9.587 -5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.899 9.459 -5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.736 11.200 -6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.410 11.599 -6.556 1.00 0.00 H new ATOM 1552 N TRP A 95 1.606 7.936 -10.302 1.00 0.00 N ATOM 1553 CA TRP A 95 0.451 7.726 -11.162 1.00 0.00 C ATOM 1554 C TRP A 95 0.085 6.254 -11.283 1.00 0.00 C ATOM 1555 O TRP A 95 -1.019 5.849 -10.919 1.00 0.00 O ATOM 1556 CB TRP A 95 0.684 8.319 -12.555 1.00 0.00 C ATOM 1557 CG TRP A 95 1.979 7.922 -13.220 1.00 0.00 C ATOM 1558 CD1 TRP A 95 3.169 8.579 -13.141 1.00 0.00 C ATOM 1559 CD2 TRP A 95 2.204 6.796 -14.084 1.00 0.00 C ATOM 1560 NE1 TRP A 95 4.117 7.952 -13.919 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.546 6.856 -14.507 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.402 5.748 -14.542 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 4.096 5.911 -15.374 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.950 4.810 -15.395 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.284 4.899 -15.808 1.00 0.00 C ATOM 0 H TRP A 95 2.438 7.406 -10.561 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.385 8.243 -10.690 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.142 8.021 -13.201 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.653 9.406 -12.478 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.345 9.467 -12.551 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.084 8.254 -14.037 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.370 5.672 -14.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.126 5.976 -15.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.338 3.994 -15.749 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.680 4.154 -16.482 1.00 0.00 H new ATOM 1576 N GLY A 96 1.010 5.463 -11.809 1.00 0.00 N ATOM 1577 CA GLY A 96 0.760 4.040 -11.989 1.00 0.00 C ATOM 1578 C GLY A 96 -0.634 3.743 -12.520 1.00 0.00 C ATOM 1579 O GLY A 96 -0.907 3.924 -13.706 1.00 0.00 O ATOM 0 H GLY A 96 1.930 5.778 -12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.500 3.631 -12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.896 3.530 -11.036 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.517 3.284 -11.631 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.893 2.955 -12.003 1.00 0.00 C ATOM 1585 C LYS A 97 -3.637 2.298 -10.837 1.00 0.00 C ATOM 1586 O LYS A 97 -4.428 1.377 -11.039 1.00 0.00 O ATOM 1587 CB LYS A 97 -2.917 2.025 -13.221 1.00 0.00 C ATOM 1588 CG LYS A 97 -3.877 2.473 -14.310 1.00 0.00 C ATOM 1589 CD LYS A 97 -5.315 2.124 -13.962 1.00 0.00 C ATOM 1590 CE LYS A 97 -6.269 2.505 -15.083 1.00 0.00 C ATOM 1591 NZ LYS A 97 -6.466 1.388 -16.048 1.00 0.00 N ATOM 0 H LYS A 97 -1.302 3.132 -10.646 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.398 3.887 -12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.912 1.961 -13.638 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.192 1.022 -12.896 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.788 3.550 -14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.605 2.000 -15.254 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.393 1.055 -13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.604 2.640 -13.046 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.231 2.792 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.880 3.376 -15.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.123 1.688 -16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.552 1.130 -16.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.861 0.565 -15.550 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.383 2.778 -9.622 1.00 0.00 N ATOM 1606 CA GLU A 98 -4.036 2.234 -8.431 1.00 0.00 C ATOM 1607 C GLU A 98 -5.554 2.282 -8.576 1.00 0.00 C ATOM 1608 O GLU A 98 -6.251 1.333 -8.216 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.605 3.014 -7.186 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.693 4.524 -7.348 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.437 5.266 -6.052 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -3.462 4.621 -4.983 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.209 6.493 -6.105 1.00 0.00 O ATOM 0 H GLU A 98 -2.732 3.540 -9.435 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.731 1.193 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.228 2.711 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.579 2.744 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.970 4.848 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.681 4.788 -7.724 1.00 0.00 H new ATOM 1620 N GLY A 99 -6.060 3.389 -9.113 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.492 3.533 -9.302 1.00 0.00 C ATOM 1622 C GLY A 99 -8.113 4.571 -8.386 1.00 0.00 C ATOM 1623 O GLY A 99 -9.211 5.060 -8.651 1.00 0.00 O ATOM 0 H GLY A 99 -5.504 4.187 -9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.690 3.807 -10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.974 2.571 -9.129 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.419 4.906 -7.302 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.927 5.889 -6.349 1.00 0.00 C ATOM 1629 C GLN A 100 -6.914 7.000 -6.100 1.00 0.00 C ATOM 1630 O GLN A 100 -5.982 6.844 -5.311 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.291 5.209 -5.028 1.00 0.00 C ATOM 1632 CG GLN A 100 -9.719 4.686 -4.989 1.00 0.00 C ATOM 1633 CD GLN A 100 -9.791 3.200 -4.695 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -8.822 2.598 -4.234 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -10.946 2.600 -4.962 1.00 0.00 N ATOM 0 H GLN A 100 -6.508 4.514 -7.062 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.821 6.338 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.604 4.381 -4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.150 5.918 -4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.280 5.230 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.201 4.887 -5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.724 3.138 -5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.055 1.601 -4.785 1.00 0.00 H new ATOM 1644 N PRO A 101 -7.097 8.149 -6.771 1.00 0.00 N ATOM 1645 CA PRO A 101 -6.215 9.310 -6.628 1.00 0.00 C ATOM 1646 C PRO A 101 -5.850 9.596 -5.173 1.00 0.00 C ATOM 1647 O PRO A 101 -6.650 9.368 -4.266 1.00 0.00 O ATOM 1648 CB PRO A 101 -7.073 10.437 -7.191 1.00 0.00 C ATOM 1649 CG PRO A 101 -7.875 9.784 -8.255 1.00 0.00 C ATOM 1650 CD PRO A 101 -8.194 8.413 -7.729 1.00 0.00 C ATOM 0 HA PRO A 101 -5.258 9.171 -7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.711 10.874 -6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.459 11.243 -7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.785 10.347 -8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.316 9.726 -9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.168 8.387 -7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.217 7.672 -8.528 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.633 10.089 -4.957 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.181 10.391 -3.611 1.00 0.00 C ATOM 1660 C GLY A 102 -3.525 11.757 -3.504 1.00 0.00 C ATOM 1661 O GLY A 102 -3.380 12.463 -4.502 1.00 0.00 O ATOM 0 H GLY A 102 -3.952 10.284 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.030 10.346 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.473 9.627 -3.290 1.00 0.00 H new ATOM 1665 N GLU A 103 -3.133 12.127 -2.289 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.486 13.414 -2.044 1.00 0.00 C ATOM 1667 C GLU A 103 -1.403 13.272 -0.979 1.00 0.00 C ATOM 1668 O GLU A 103 -1.438 12.343 -0.172 1.00 0.00 O ATOM 1669 CB GLU A 103 -3.519 14.454 -1.606 1.00 0.00 C ATOM 1670 CG GLU A 103 -3.193 15.865 -2.066 1.00 0.00 C ATOM 1671 CD GLU A 103 -4.088 16.907 -1.426 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -3.822 17.290 -0.266 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -5.057 17.342 -2.084 1.00 0.00 O ATOM 0 H GLU A 103 -3.252 11.552 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.022 13.748 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.496 14.170 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.595 14.443 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.153 16.089 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.292 15.922 -3.150 1.00 0.00 H new ATOM 1680 N TRP A 104 -0.438 14.190 -0.976 1.00 0.00 N ATOM 1681 CA TRP A 104 0.647 14.137 0.003 1.00 0.00 C ATOM 1682 C TRP A 104 0.140 14.570 1.376 1.00 0.00 C ATOM 1683 O TRP A 104 -0.096 15.753 1.618 1.00 0.00 O ATOM 1684 CB TRP A 104 1.822 15.033 -0.430 1.00 0.00 C ATOM 1685 CG TRP A 104 1.962 15.176 -1.917 1.00 0.00 C ATOM 1686 CD1 TRP A 104 1.616 14.258 -2.865 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.486 16.306 -2.625 1.00 0.00 C ATOM 1688 NE1 TRP A 104 1.893 14.746 -4.119 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.428 16.002 -3.997 1.00 0.00 C ATOM 1690 CE3 TRP A 104 3.000 17.545 -2.230 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.863 16.892 -4.976 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 3.430 18.427 -3.203 1.00 0.00 C ATOM 1693 CH2 TRP A 104 3.360 18.097 -4.562 1.00 0.00 C ATOM 0 H TRP A 104 -0.384 14.970 -1.631 1.00 0.00 H new ATOM 0 HA TRP A 104 1.002 13.108 0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 104 1.693 16.022 0.010 1.00 0.00 H new ATOM 0 HB3 TRP A 104 2.747 14.623 -0.026 1.00 0.00 H new ATOM 0 HD1 TRP A 104 1.187 13.289 -2.660 1.00 0.00 H new ATOM 0 HE1 TRP A 104 1.728 14.254 -4.997 1.00 0.00 H new ATOM 0 HE3 TRP A 104 3.060 17.808 -1.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.810 16.640 -6.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 3.827 19.388 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 104 3.705 18.808 -5.298 1.00 0.00 H new ATOM 1704 N MET A 105 -0.018 13.600 2.273 1.00 0.00 N ATOM 1705 CA MET A 105 -0.491 13.876 3.627 1.00 0.00 C ATOM 1706 C MET A 105 0.536 13.433 4.664 1.00 0.00 C ATOM 1707 O MET A 105 1.434 12.649 4.364 1.00 0.00 O ATOM 1708 CB MET A 105 -1.830 13.178 3.878 1.00 0.00 C ATOM 1709 CG MET A 105 -1.739 11.660 3.898 1.00 0.00 C ATOM 1710 SD MET A 105 -3.101 10.899 4.801 1.00 0.00 S ATOM 1711 CE MET A 105 -2.253 10.325 6.272 1.00 0.00 C ATOM 0 H MET A 105 0.175 12.616 2.087 1.00 0.00 H new ATOM 0 HA MET A 105 -0.632 14.953 3.723 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.234 13.521 4.831 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.537 13.480 3.105 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.732 11.286 2.874 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.794 11.362 4.353 1.00 0.00 H new ATOM 0 HE1 MET A 105 -2.809 9.498 6.713 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.251 9.988 6.006 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.182 11.140 6.992 1.00 0.00 H new ATOM 1721 N SER A 106 0.392 13.934 5.886 1.00 0.00 N ATOM 1722 CA SER A 106 1.306 13.579 6.966 1.00 0.00 C ATOM 1723 C SER A 106 0.845 12.307 7.670 1.00 0.00 C ATOM 1724 O SER A 106 -0.213 12.282 8.299 1.00 0.00 O ATOM 1725 CB SER A 106 1.408 14.727 7.973 1.00 0.00 C ATOM 1726 OG SER A 106 2.733 14.861 8.460 1.00 0.00 O ATOM 0 H SER A 106 -0.346 14.585 6.153 1.00 0.00 H new ATOM 0 HA SER A 106 2.290 13.397 6.533 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.095 15.658 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.728 14.547 8.805 1.00 0.00 H new ATOM 0 HG SER A 106 2.773 15.602 9.100 1.00 0.00 H new ATOM 1732 N LEU A 107 1.646 11.251 7.561 1.00 0.00 N ATOM 1733 CA LEU A 107 1.320 9.973 8.188 1.00 0.00 C ATOM 1734 C LEU A 107 1.297 10.093 9.710 1.00 0.00 C ATOM 1735 O LEU A 107 0.724 9.249 10.397 1.00 0.00 O ATOM 1736 CB LEU A 107 2.330 8.902 7.771 1.00 0.00 C ATOM 1737 CG LEU A 107 1.782 7.473 7.724 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.553 6.944 9.132 1.00 0.00 C ATOM 1739 CD2 LEU A 107 0.495 7.417 6.916 1.00 0.00 C ATOM 0 H LEU A 107 2.526 11.255 7.044 1.00 0.00 H new ATOM 0 HA LEU A 107 0.325 9.682 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.720 9.157 6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.171 8.929 8.464 1.00 0.00 H new ATOM 0 HG LEU A 107 2.520 6.839 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.163 5.927 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.496 6.944 9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.835 7.582 9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.123 6.393 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.251 8.065 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.690 7.753 5.898 1.00 0.00 H new ATOM 1751 N VAL A 108 1.927 11.141 10.229 1.00 0.00 N ATOM 1752 CA VAL A 108 1.982 11.365 11.669 1.00 0.00 C ATOM 1753 C VAL A 108 0.586 11.380 12.292 1.00 0.00 C ATOM 1754 O VAL A 108 0.438 11.186 13.498 1.00 0.00 O ATOM 1755 CB VAL A 108 2.696 12.691 12.001 1.00 0.00 C ATOM 1756 CG1 VAL A 108 1.938 13.872 11.414 1.00 0.00 C ATOM 1757 CG2 VAL A 108 2.863 12.848 13.506 1.00 0.00 C ATOM 0 H VAL A 108 2.407 11.849 9.674 1.00 0.00 H new ATOM 0 HA VAL A 108 2.548 10.535 12.092 1.00 0.00 H new ATOM 0 HB VAL A 108 3.688 12.668 11.550 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.459 14.797 11.660 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.880 13.765 10.331 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.931 13.901 11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.369 13.790 13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.883 12.846 13.983 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.457 12.021 13.894 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.434 11.616 11.471 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.792 11.657 11.981 1.00 0.00 C ATOM 1769 C GLY A 109 -2.745 10.752 11.220 1.00 0.00 C ATOM 1770 O GLY A 109 -3.878 11.139 10.935 1.00 0.00 O ATOM 0 H GLY A 109 -0.345 11.779 10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.787 11.367 13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.160 12.682 11.935 1.00 0.00 H new ATOM 1774 N LEU A 110 -2.296 9.542 10.900 1.00 0.00 N ATOM 1775 CA LEU A 110 -3.135 8.587 10.182 1.00 0.00 C ATOM 1776 C LEU A 110 -4.355 8.223 11.021 1.00 0.00 C ATOM 1777 O LEU A 110 -4.301 8.258 12.251 1.00 0.00 O ATOM 1778 CB LEU A 110 -2.343 7.326 9.832 1.00 0.00 C ATOM 1779 CG LEU A 110 -3.060 6.361 8.889 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.069 5.696 7.947 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.829 5.316 9.683 1.00 0.00 C ATOM 0 H LEU A 110 -1.362 9.201 11.125 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.468 9.053 9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.398 7.622 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.101 6.798 10.754 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.770 6.930 8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.600 5.013 7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.563 6.458 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.333 5.140 8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.334 4.636 8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.137 4.752 10.308 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.568 5.810 10.314 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.464 7.896 10.361 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.690 7.556 11.074 1.00 0.00 C ATOM 1795 C ASN A 111 -7.215 6.172 10.712 1.00 0.00 C ATOM 1796 O ASN A 111 -7.357 5.831 9.537 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.762 8.608 10.790 1.00 0.00 C ATOM 1798 CG ASN A 111 -8.176 9.367 12.035 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.332 9.855 12.788 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -9.481 9.470 12.259 1.00 0.00 N ATOM 0 H ASN A 111 -5.538 7.860 9.344 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.451 7.541 12.137 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.387 9.312 10.047 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.637 8.123 10.357 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -9.819 9.969 13.082 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -10.145 9.050 11.608 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.529 5.392 11.743 1.00 0.00 N ATOM 1808 CA ALA A 112 -8.073 4.054 11.562 1.00 0.00 C ATOM 1809 C ALA A 112 -9.521 4.125 11.066 1.00 0.00 C ATOM 1810 O ALA A 112 -10.084 3.130 10.612 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.991 3.257 12.859 1.00 0.00 C ATOM 0 H ALA A 112 -7.414 5.668 12.718 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.474 3.542 10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.403 2.260 12.700 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.950 3.174 13.170 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.562 3.766 13.636 1.00 0.00 H new ATOM 1817 N ASP A 113 -10.127 5.306 11.177 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.508 5.503 10.749 1.00 0.00 C ATOM 1819 C ASP A 113 -11.606 5.651 9.229 1.00 0.00 C ATOM 1820 O ASP A 113 -12.424 4.996 8.585 1.00 0.00 O ATOM 1821 CB ASP A 113 -12.102 6.737 11.430 1.00 0.00 C ATOM 1822 CG ASP A 113 -13.542 6.526 11.854 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -13.784 5.672 12.732 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -14.430 7.215 11.307 1.00 0.00 O ATOM 0 H ASP A 113 -9.682 6.140 11.560 1.00 0.00 H new ATOM 0 HA ASP A 113 -12.076 4.620 11.042 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.502 6.990 12.304 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.047 7.586 10.749 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.769 6.519 8.660 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.772 6.752 7.215 1.00 0.00 C ATOM 1831 C ASP A 114 -10.296 5.517 6.460 1.00 0.00 C ATOM 1832 O ASP A 114 -10.819 5.186 5.400 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.896 7.955 6.827 1.00 0.00 C ATOM 1834 CG ASP A 114 -9.173 8.593 8.000 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -9.850 9.206 8.851 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -7.931 8.480 8.064 1.00 0.00 O ATOM 0 H ASP A 114 -10.083 7.071 9.175 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.803 6.971 6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.160 7.633 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -10.521 8.707 6.346 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.297 4.843 7.013 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.743 3.647 6.393 1.00 0.00 C ATOM 1843 C PHE A 115 -9.647 2.438 6.660 1.00 0.00 C ATOM 1844 O PHE A 115 -10.611 2.537 7.419 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.321 3.398 6.930 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.239 2.319 7.973 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -8.184 2.256 8.974 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.231 1.370 7.947 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -8.135 1.273 9.938 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -6.175 0.381 8.909 1.00 0.00 C ATOM 1851 CZ PHE A 115 -7.130 0.334 9.905 1.00 0.00 C ATOM 0 H PHE A 115 -8.852 5.105 7.893 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.690 3.794 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.671 3.133 6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.936 4.326 7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.976 2.989 9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.483 1.404 7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.883 1.240 10.717 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.385 -0.355 8.882 1.00 0.00 H new ATOM 0 HZ PHE A 115 -7.088 -0.439 10.658 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.338 1.276 6.059 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.124 0.059 6.265 1.00 0.00 C ATOM 1863 C PRO A 116 -9.844 -0.564 7.634 1.00 0.00 C ATOM 1864 O PRO A 116 -8.688 -0.789 7.992 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.643 -0.862 5.145 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.243 -0.430 4.877 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.196 1.052 5.151 1.00 0.00 C ATOM 0 HA PRO A 116 -11.198 0.244 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.684 -1.908 5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.265 -0.763 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.542 -0.966 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.961 -0.644 3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.253 1.344 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.294 1.632 4.233 1.00 0.00 H new ATOM 1875 N PRO A 117 -10.894 -0.844 8.428 1.00 0.00 N ATOM 1876 CA PRO A 117 -10.742 -1.432 9.766 1.00 0.00 C ATOM 1877 C PRO A 117 -10.087 -2.812 9.742 1.00 0.00 C ATOM 1878 O PRO A 117 -9.650 -3.317 10.776 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.181 -1.535 10.286 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.039 -1.479 9.069 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.308 -0.605 8.092 1.00 0.00 C ATOM 0 HA PRO A 117 -10.089 -0.824 10.392 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.336 -2.464 10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.413 -0.718 10.969 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.200 -2.476 8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.021 -1.068 9.302 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.530 -0.879 7.061 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.579 0.444 8.208 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.029 -3.421 8.564 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.435 -4.746 8.417 1.00 0.00 C ATOM 1891 C ALA A 118 -7.916 -4.715 8.592 1.00 0.00 C ATOM 1892 O ALA A 118 -7.276 -5.765 8.667 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.795 -5.334 7.060 1.00 0.00 C ATOM 0 H ALA A 118 -10.385 -3.020 7.697 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.843 -5.378 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.347 -6.323 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.879 -5.417 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.418 -4.684 6.270 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.337 -3.517 8.645 1.00 0.00 N ATOM 1900 CA ASN A 119 -5.892 -3.381 8.797 1.00 0.00 C ATOM 1901 C ASN A 119 -5.527 -2.557 10.033 1.00 0.00 C ATOM 1902 O ASN A 119 -4.484 -1.905 10.065 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.295 -2.739 7.541 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.208 -3.591 6.919 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -4.439 -4.290 5.932 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -3.012 -3.535 7.493 1.00 0.00 N ATOM 0 H ASN A 119 -7.843 -2.633 8.585 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.474 -4.379 8.931 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.086 -2.573 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.886 -1.761 7.795 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.240 -4.085 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.866 -2.942 8.310 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.385 -2.592 11.048 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.140 -1.844 12.279 1.00 0.00 C ATOM 1915 C GLU A 120 -4.992 -2.445 13.092 1.00 0.00 C ATOM 1916 O GLU A 120 -4.190 -1.713 13.660 1.00 0.00 O ATOM 1917 CB GLU A 120 -7.413 -1.767 13.127 1.00 0.00 C ATOM 1918 CG GLU A 120 -7.962 -0.356 13.269 1.00 0.00 C ATOM 1919 CD GLU A 120 -8.733 -0.158 14.560 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -8.187 -0.488 15.633 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.882 0.326 14.496 1.00 0.00 O ATOM 0 H GLU A 120 -7.253 -3.128 11.044 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.846 -0.834 11.992 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.177 -2.403 12.680 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.205 -2.169 14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.138 0.356 13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.614 -0.137 12.423 1.00 0.00 H new ATOM 1928 N PRO A 121 -4.890 -3.783 13.169 1.00 0.00 N ATOM 1929 CA PRO A 121 -3.817 -4.439 13.927 1.00 0.00 C ATOM 1930 C PRO A 121 -2.432 -3.950 13.512 1.00 0.00 C ATOM 1931 O PRO A 121 -1.566 -3.715 14.355 1.00 0.00 O ATOM 1932 CB PRO A 121 -3.985 -5.918 13.573 1.00 0.00 C ATOM 1933 CG PRO A 121 -5.417 -6.057 13.190 1.00 0.00 C ATOM 1934 CD PRO A 121 -5.798 -4.758 12.537 1.00 0.00 C ATOM 0 HA PRO A 121 -3.887 -4.230 14.994 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.327 -6.206 12.753 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.738 -6.558 14.420 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -5.559 -6.894 12.506 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -6.038 -6.251 14.065 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -5.660 -4.795 11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -6.844 -4.509 12.716 1.00 0.00 H new ATOM 1942 N VAL A 122 -2.234 -3.798 12.208 1.00 0.00 N ATOM 1943 CA VAL A 122 -0.960 -3.338 11.668 1.00 0.00 C ATOM 1944 C VAL A 122 -0.810 -1.834 11.841 1.00 0.00 C ATOM 1945 O VAL A 122 0.199 -1.351 12.354 1.00 0.00 O ATOM 1946 CB VAL A 122 -0.816 -3.673 10.169 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.650 -3.787 9.786 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.564 -4.949 9.815 1.00 0.00 C ATOM 0 H VAL A 122 -2.944 -3.988 11.501 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.181 -3.859 12.225 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.260 -2.857 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.732 -4.024 8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.153 -2.841 9.986 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.119 -4.578 10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.444 -5.158 8.752 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.163 -5.779 10.396 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.623 -4.825 10.043 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.826 -1.100 11.402 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.819 0.351 11.498 1.00 0.00 C ATOM 1960 C ILE A 123 -1.812 0.801 12.954 1.00 0.00 C ATOM 1961 O ILE A 123 -1.278 1.856 13.279 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.034 0.963 10.768 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.816 0.908 9.249 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.280 2.395 11.228 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.585 2.263 8.615 1.00 0.00 C ATOM 0 H ILE A 123 -2.667 -1.489 10.975 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.908 0.705 11.016 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.920 0.378 11.016 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.960 0.268 9.037 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.685 0.443 8.783 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.141 2.804 10.699 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.475 2.404 12.300 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.401 3.002 11.014 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.439 2.142 7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.450 2.901 8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.699 2.723 9.052 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.405 -0.005 13.825 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.459 0.317 15.245 1.00 0.00 C ATOM 1979 C ALA A 124 -1.059 0.555 15.789 1.00 0.00 C ATOM 1980 O ALA A 124 -0.854 1.391 16.669 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.146 -0.799 16.017 1.00 0.00 C ATOM 0 H ALA A 124 -2.855 -0.885 13.574 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.039 1.232 15.370 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.178 -0.543 17.076 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.162 -0.927 15.644 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.591 -1.728 15.885 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.097 -0.185 15.250 1.00 0.00 N ATOM 1988 CA LYS A 125 1.292 -0.055 15.674 1.00 0.00 C ATOM 1989 C LYS A 125 1.851 1.317 15.298 1.00 0.00 C ATOM 1990 O LYS A 125 2.442 2.007 16.129 1.00 0.00 O ATOM 1991 CB LYS A 125 2.145 -1.160 15.044 1.00 0.00 C ATOM 1992 CG LYS A 125 2.581 -2.228 16.035 1.00 0.00 C ATOM 1993 CD LYS A 125 2.467 -3.623 15.440 1.00 0.00 C ATOM 1994 CE LYS A 125 3.537 -4.553 15.989 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.989 -5.900 16.311 1.00 0.00 N ATOM 0 H LYS A 125 -0.253 -0.880 14.520 1.00 0.00 H new ATOM 0 HA LYS A 125 1.326 -0.155 16.759 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.580 -1.631 14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.030 -0.712 14.592 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.612 -2.044 16.339 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.967 -2.164 16.934 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.481 -4.033 15.658 1.00 0.00 H new ATOM 0 HD3 LYS A 125 2.556 -3.565 14.355 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.341 -4.653 15.259 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.974 -4.115 16.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.749 -6.504 16.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.239 -5.808 17.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.595 -6.329 15.450 1.00 0.00 H new ATOM 2009 N LEU A 126 1.661 1.704 14.040 1.00 0.00 N ATOM 2010 CA LEU A 126 2.146 2.991 13.547 1.00 0.00 C ATOM 2011 C LEU A 126 1.234 4.132 13.988 1.00 0.00 C ATOM 2012 O LEU A 126 1.676 5.270 14.146 1.00 0.00 O ATOM 2013 CB LEU A 126 2.241 2.971 12.021 1.00 0.00 C ATOM 2014 CG LEU A 126 3.366 3.823 11.431 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.713 3.392 11.990 1.00 0.00 C ATOM 2016 CD2 LEU A 126 3.362 3.734 9.911 1.00 0.00 C ATOM 0 H LEU A 126 1.173 1.144 13.341 1.00 0.00 H new ATOM 0 HA LEU A 126 3.136 3.158 13.971 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.377 1.940 11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.292 3.314 11.609 1.00 0.00 H new ATOM 0 HG LEU A 126 3.195 4.862 11.714 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.501 4.010 11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.712 3.510 13.074 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.893 2.347 11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.169 4.346 9.509 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.507 2.697 9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.407 4.095 9.528 1.00 0.00 H new ATOM 2028 N LYS A 127 -0.044 3.820 14.179 1.00 0.00 N ATOM 2029 CA LYS A 127 -1.026 4.814 14.595 1.00 0.00 C ATOM 2030 C LYS A 127 -0.612 5.476 15.897 1.00 0.00 C ATOM 2031 O LYS A 127 -0.710 6.693 16.050 1.00 0.00 O ATOM 2032 CB LYS A 127 -2.384 4.154 14.771 1.00 0.00 C ATOM 2033 CG LYS A 127 -3.518 5.141 14.989 1.00 0.00 C ATOM 2034 CD LYS A 127 -4.862 4.542 14.610 1.00 0.00 C ATOM 2035 CE LYS A 127 -6.007 5.245 15.322 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.045 4.285 15.789 1.00 0.00 N ATOM 0 H LYS A 127 -0.424 2.882 14.051 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.086 5.579 13.821 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -2.603 3.552 13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -2.339 3.472 15.620 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -3.538 5.448 16.035 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -3.339 6.038 14.397 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -5.003 4.616 13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -4.873 3.481 14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -5.617 5.801 16.175 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -6.462 5.972 14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -7.989 4.654 15.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -6.906 3.368 15.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -6.966 4.162 16.819 1.00 0.00 H new ATOM 2050 N ARG A 128 -0.129 4.663 16.826 1.00 0.00 N ATOM 2051 CA ARG A 128 0.326 5.167 18.110 1.00 0.00 C ATOM 2052 C ARG A 128 1.649 5.909 17.940 1.00 0.00 C ATOM 2053 O ARG A 128 2.167 6.504 18.884 1.00 0.00 O ATOM 2054 CB ARG A 128 0.487 4.016 19.104 1.00 0.00 C ATOM 2055 CG ARG A 128 0.967 4.459 20.477 1.00 0.00 C ATOM 2056 CD ARG A 128 2.343 3.895 20.798 1.00 0.00 C ATOM 2057 NE ARG A 128 2.607 3.880 22.234 1.00 0.00 N ATOM 2058 CZ ARG A 128 3.607 3.204 22.797 1.00 0.00 C ATOM 2059 NH1 ARG A 128 4.436 2.487 22.048 1.00 0.00 N ATOM 2060 NH2 ARG A 128 3.777 3.244 24.111 1.00 0.00 N ATOM 0 H ARG A 128 -0.043 3.653 16.713 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.419 5.861 18.500 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.469 3.503 19.211 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.194 3.292 18.698 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.001 5.548 20.517 1.00 0.00 H new ATOM 0 HG3 ARG A 128 0.254 4.134 21.235 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.420 2.881 20.405 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.105 4.491 20.296 1.00 0.00 H new ATOM 0 HE ARG A 128 1.990 4.419 22.841 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.309 2.452 21.037 1.00 0.00 H new ATOM 0 HH12 ARG A 128 5.200 1.971 22.484 1.00 0.00 H new ATOM 0 HH21 ARG A 128 3.142 3.792 24.691 1.00 0.00 H new ATOM 0 HH22 ARG A 128 4.543 2.726 24.542 1.00 0.00 H new ATOM 2074 N LEU A 129 2.188 5.873 16.719 1.00 0.00 N ATOM 2075 CA LEU A 129 3.445 6.545 16.417 1.00 0.00 C ATOM 2076 C LEU A 129 4.554 6.084 17.360 1.00 0.00 C ATOM 2077 O LEU A 129 5.301 5.157 17.049 1.00 0.00 O ATOM 2078 CB LEU A 129 3.269 8.060 16.517 1.00 0.00 C ATOM 2079 CG LEU A 129 2.175 8.647 15.620 1.00 0.00 C ATOM 2080 CD1 LEU A 129 0.902 8.887 16.418 1.00 0.00 C ATOM 2081 CD2 LEU A 129 2.649 9.940 14.969 1.00 0.00 C ATOM 0 H LEU A 129 1.771 5.385 15.927 1.00 0.00 H new ATOM 0 HA LEU A 129 3.733 6.284 15.399 1.00 0.00 H new ATOM 0 HB2 LEU A 129 3.045 8.317 17.552 1.00 0.00 H new ATOM 0 HB3 LEU A 129 4.217 8.538 16.268 1.00 0.00 H new ATOM 0 HG LEU A 129 1.957 7.927 14.831 1.00 0.00 H new ATOM 0 HD11 LEU A 129 0.136 9.304 15.764 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.550 7.943 16.833 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.107 9.586 17.229 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.857 10.340 14.336 1.00 0.00 H new ATOM 0 HD22 LEU A 129 2.898 10.667 15.742 1.00 0.00 H new ATOM 0 HD23 LEU A 129 3.532 9.739 14.362 1.00 0.00 H new