USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 LYS NZ :NH3+ 142:sc= 0.742 (180deg=0) USER MOD Set 1.2: A 53 SER OG : rot 75:sc= 1.73 USER MOD Set 2.1: A 5 THR OG1 : rot -162:sc= 0.871 USER MOD Set 2.2: A 8 GLN : amide:sc= 0.564 X(o=1.4,f=1.5) USER MOD Set 2.3: A 76 MET CE :methyl -175:sc= 0 (180deg=-0.0623) USER MOD Single : A 1 ARG N :NH3+ -179:sc= -0.0105 (180deg=-0.0111) USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= 0.55 (180deg=0.255) USER MOD Single : A 10 GLN : amide:sc= 0.982 K(o=0.98,f=-0.077) USER MOD Single : A 21 THR OG1 : rot -50:sc= 1.27 USER MOD Single : A 24 SER OG : rot -40:sc= 1.06 USER MOD Single : A 26 THR OG1 : rot -70:sc= 0.897 USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0397) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -171:sc= -0.965 (180deg=-1.45) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0302) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -123:sc= 0 (180deg=-0.154) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0159) USER MOD Single : A 60 SER OG : rot 48:sc= 0.0134 USER MOD Single : A 62 THR OG1 : rot -38:sc= 1.06 USER MOD Single : A 70 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 71 MET CE :methyl 172:sc= -0.023 (180deg=-0.19) USER MOD Single : A 72 MET CE :methyl -178:sc= -0.0252 (180deg=-0.0411) USER MOD Single : A 73 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0.348 (180deg=0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.760 15.340 -4.425 1.00 0.00 N ATOM 2 CA ARG A 1 17.951 14.487 -5.618 1.00 0.00 C ATOM 3 C ARG A 1 16.639 13.858 -6.101 1.00 0.00 C ATOM 4 O ARG A 1 16.443 13.692 -7.301 1.00 0.00 O ATOM 5 CB ARG A 1 19.055 13.440 -5.403 1.00 0.00 C ATOM 6 CG ARG A 1 18.755 12.438 -4.277 1.00 0.00 C ATOM 7 CD ARG A 1 19.936 11.487 -4.058 1.00 0.00 C ATOM 8 NE ARG A 1 20.189 10.658 -5.245 1.00 0.00 N ATOM 9 CZ ARG A 1 21.206 9.792 -5.367 1.00 0.00 C ATOM 10 NH1 ARG A 1 22.072 9.619 -4.363 1.00 0.00 N ATOM 11 NH2 ARG A 1 21.348 9.098 -6.500 1.00 0.00 N ATOM 0 H1 ARG A 1 18.671 15.756 -4.146 1.00 0.00 H new ATOM 0 H2 ARG A 1 17.085 16.100 -4.646 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.389 14.764 -3.642 1.00 0.00 H new ATOM 0 HA ARG A 1 18.290 15.142 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.207 12.891 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.990 13.954 -5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 1 18.541 12.977 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 1 17.862 11.864 -4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 1 20.829 12.064 -3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 1 19.733 10.845 -3.201 1.00 0.00 H new ATOM 0 HE ARG A 1 19.546 10.748 -6.032 1.00 0.00 H new ATOM 0 HH11 ARG A 1 21.962 10.147 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 1 22.843 8.959 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 1 20.686 9.229 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 1 22.119 8.438 -6.600 1.00 0.00 H new ATOM 25 N VAL A 2 15.739 13.528 -5.171 1.00 0.00 N ATOM 26 CA VAL A 2 14.382 13.117 -5.506 1.00 0.00 C ATOM 27 C VAL A 2 13.557 14.345 -5.906 1.00 0.00 C ATOM 28 O VAL A 2 13.959 15.480 -5.649 1.00 0.00 O ATOM 29 CB VAL A 2 13.743 12.349 -4.332 1.00 0.00 C ATOM 30 CG1 VAL A 2 14.528 11.066 -4.032 1.00 0.00 C ATOM 31 CG2 VAL A 2 13.627 13.191 -3.053 1.00 0.00 C ATOM 0 H VAL A 2 15.934 13.540 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 2 14.407 12.436 -6.356 1.00 0.00 H new ATOM 0 HB VAL A 2 12.731 12.099 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.060 10.539 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.528 10.425 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.555 11.321 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.170 12.594 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.620 13.511 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 2 13.009 14.067 -3.249 1.00 0.00 H new ATOM 41 N GLY A 3 12.389 14.121 -6.513 1.00 0.00 N ATOM 42 CA GLY A 3 11.534 15.200 -6.984 1.00 0.00 C ATOM 43 C GLY A 3 12.156 15.900 -8.192 1.00 0.00 C ATOM 44 O GLY A 3 13.089 15.379 -8.805 1.00 0.00 O ATOM 0 H GLY A 3 12.015 13.188 -6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.555 14.803 -7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.376 15.921 -6.182 1.00 0.00 H new ATOM 48 N LEU A 4 11.628 17.074 -8.551 1.00 0.00 N ATOM 49 CA LEU A 4 12.080 17.809 -9.722 1.00 0.00 C ATOM 50 C LEU A 4 13.406 18.518 -9.447 1.00 0.00 C ATOM 51 O LEU A 4 13.432 19.638 -8.941 1.00 0.00 O ATOM 52 CB LEU A 4 11.019 18.816 -10.180 1.00 0.00 C ATOM 53 CG LEU A 4 9.659 18.193 -10.523 1.00 0.00 C ATOM 54 CD1 LEU A 4 8.804 19.285 -11.169 1.00 0.00 C ATOM 55 CD2 LEU A 4 9.771 16.997 -11.477 1.00 0.00 C ATOM 0 H LEU A 4 10.878 17.535 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 4 12.238 17.089 -10.525 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.877 19.558 -9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.393 19.346 -11.056 1.00 0.00 H new ATOM 0 HG LEU A 4 9.211 17.813 -9.605 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.827 18.877 -11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.679 20.111 -10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.296 19.646 -12.072 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.777 16.600 -11.681 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.233 17.318 -12.411 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.384 16.221 -11.018 1.00 0.00 H new ATOM 67 N THR A 5 14.510 17.877 -9.822 1.00 0.00 N ATOM 68 CA THR A 5 15.823 18.491 -9.831 1.00 0.00 C ATOM 69 C THR A 5 15.853 19.614 -10.876 1.00 0.00 C ATOM 70 O THR A 5 15.036 19.642 -11.797 1.00 0.00 O ATOM 71 CB THR A 5 16.872 17.412 -10.145 1.00 0.00 C ATOM 72 OG1 THR A 5 16.554 16.744 -11.355 1.00 0.00 O ATOM 73 CG2 THR A 5 16.938 16.380 -9.014 1.00 0.00 C ATOM 0 H THR A 5 14.512 16.905 -10.131 1.00 0.00 H new ATOM 0 HA THR A 5 16.049 18.927 -8.858 1.00 0.00 H new ATOM 0 HB THR A 5 17.838 17.907 -10.245 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.043 15.896 -11.399 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.686 15.624 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 5 17.211 16.877 -8.083 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.965 15.903 -8.899 1.00 0.00 H new ATOM 81 N GLU A 6 16.817 20.535 -10.771 1.00 0.00 N ATOM 82 CA GLU A 6 16.968 21.615 -11.723 1.00 0.00 C ATOM 83 C GLU A 6 17.115 21.064 -13.148 1.00 0.00 C ATOM 84 O GLU A 6 16.559 21.622 -14.091 1.00 0.00 O ATOM 85 CB GLU A 6 18.170 22.454 -11.274 1.00 0.00 C ATOM 86 CG GLU A 6 18.264 23.786 -12.017 1.00 0.00 C ATOM 87 CD GLU A 6 17.074 24.717 -11.775 1.00 0.00 C ATOM 88 OE1 GLU A 6 16.560 24.711 -10.635 1.00 0.00 O ATOM 89 OE2 GLU A 6 16.693 25.421 -12.736 1.00 0.00 O ATOM 0 H GLU A 6 17.508 20.543 -10.021 1.00 0.00 H new ATOM 0 HA GLU A 6 16.083 22.251 -11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 6 18.097 22.643 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 6 19.086 21.886 -11.436 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.179 24.296 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.347 23.589 -13.086 1.00 0.00 H new ATOM 96 N GLU A 7 17.826 19.943 -13.299 1.00 0.00 N ATOM 97 CA GLU A 7 17.957 19.248 -14.572 1.00 0.00 C ATOM 98 C GLU A 7 16.575 18.891 -15.131 1.00 0.00 C ATOM 99 O GLU A 7 16.247 19.252 -16.261 1.00 0.00 O ATOM 100 CB GLU A 7 18.839 18.002 -14.402 1.00 0.00 C ATOM 101 CG GLU A 7 20.209 18.303 -13.771 1.00 0.00 C ATOM 102 CD GLU A 7 20.983 19.374 -14.535 1.00 0.00 C ATOM 103 OE1 GLU A 7 21.655 18.996 -15.518 1.00 0.00 O ATOM 104 OE2 GLU A 7 20.873 20.551 -14.125 1.00 0.00 O ATOM 0 H GLU A 7 18.328 19.494 -12.533 1.00 0.00 H new ATOM 0 HA GLU A 7 18.442 19.907 -15.293 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.313 17.276 -13.781 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.991 17.538 -15.377 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.067 18.628 -12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.799 17.387 -13.738 1.00 0.00 H new ATOM 111 N GLN A 8 15.750 18.207 -14.330 1.00 0.00 N ATOM 112 CA GLN A 8 14.380 17.913 -14.727 1.00 0.00 C ATOM 113 C GLN A 8 13.649 19.209 -15.077 1.00 0.00 C ATOM 114 O GLN A 8 12.984 19.272 -16.105 1.00 0.00 O ATOM 115 CB GLN A 8 13.644 17.137 -13.631 1.00 0.00 C ATOM 116 CG GLN A 8 14.103 15.676 -13.569 1.00 0.00 C ATOM 117 CD GLN A 8 13.534 15.004 -12.325 1.00 0.00 C ATOM 118 OE1 GLN A 8 12.425 14.484 -12.338 1.00 0.00 O ATOM 119 NE2 GLN A 8 14.283 15.057 -11.231 1.00 0.00 N ATOM 0 H GLN A 8 16.010 17.851 -13.410 1.00 0.00 H new ATOM 0 HA GLN A 8 14.401 17.279 -15.613 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.818 17.615 -12.667 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.571 17.174 -13.816 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.774 15.145 -14.462 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.192 15.629 -13.552 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.202 15.499 -11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.940 14.655 -10.358 1.00 0.00 H new ATOM 128 N LYS A 9 13.792 20.254 -14.260 1.00 0.00 N ATOM 129 CA LYS A 9 13.198 21.555 -14.530 1.00 0.00 C ATOM 130 C LYS A 9 13.589 22.067 -15.926 1.00 0.00 C ATOM 131 O LYS A 9 12.726 22.547 -16.662 1.00 0.00 O ATOM 132 CB LYS A 9 13.572 22.533 -13.408 1.00 0.00 C ATOM 133 CG LYS A 9 12.571 23.688 -13.309 1.00 0.00 C ATOM 134 CD LYS A 9 13.065 24.780 -12.348 1.00 0.00 C ATOM 135 CE LYS A 9 13.176 24.289 -10.898 1.00 0.00 C ATOM 136 NZ LYS A 9 13.713 25.341 -10.018 1.00 0.00 N ATOM 0 H LYS A 9 14.325 20.217 -13.391 1.00 0.00 H new ATOM 0 HA LYS A 9 12.112 21.463 -14.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.609 22.000 -12.458 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.570 22.931 -13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.410 24.118 -14.298 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.608 23.308 -12.966 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.039 25.138 -12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.383 25.629 -12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.194 23.979 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.822 23.412 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.412 25.162 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.752 25.338 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.355 26.268 -10.326 1.00 0.00 H new ATOM 150 N GLN A 10 14.865 21.936 -16.315 1.00 0.00 N ATOM 151 CA GLN A 10 15.291 22.316 -17.659 1.00 0.00 C ATOM 152 C GLN A 10 14.491 21.519 -18.690 1.00 0.00 C ATOM 153 O GLN A 10 13.875 22.098 -19.582 1.00 0.00 O ATOM 154 CB GLN A 10 16.799 22.116 -17.898 1.00 0.00 C ATOM 155 CG GLN A 10 17.754 22.797 -16.909 1.00 0.00 C ATOM 156 CD GLN A 10 17.276 24.159 -16.418 1.00 0.00 C ATOM 157 OE1 GLN A 10 17.460 25.171 -17.084 1.00 0.00 O ATOM 158 NE2 GLN A 10 16.680 24.189 -15.232 1.00 0.00 N ATOM 0 H GLN A 10 15.610 21.573 -15.721 1.00 0.00 H new ATOM 0 HA GLN A 10 15.098 23.384 -17.766 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.005 21.046 -17.887 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.035 22.476 -18.900 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.896 22.142 -16.049 1.00 0.00 H new ATOM 0 HG3 GLN A 10 18.728 22.916 -17.384 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.545 23.325 -14.707 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.357 25.076 -14.846 1.00 0.00 H new ATOM 167 N GLU A 11 14.482 20.189 -18.560 1.00 0.00 N ATOM 168 CA GLU A 11 13.755 19.330 -19.490 1.00 0.00 C ATOM 169 C GLU A 11 12.278 19.733 -19.579 1.00 0.00 C ATOM 170 O GLU A 11 11.718 19.815 -20.669 1.00 0.00 O ATOM 171 CB GLU A 11 13.905 17.853 -19.096 1.00 0.00 C ATOM 172 CG GLU A 11 15.365 17.374 -19.108 1.00 0.00 C ATOM 173 CD GLU A 11 16.006 17.523 -20.485 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.628 16.730 -21.372 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.845 18.438 -20.627 1.00 0.00 O ATOM 0 H GLU A 11 14.971 19.687 -17.819 1.00 0.00 H new ATOM 0 HA GLU A 11 14.191 19.461 -20.481 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.488 17.704 -18.100 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.321 17.239 -19.781 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.939 17.944 -18.378 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.406 16.329 -18.801 1.00 0.00 H new ATOM 182 N ILE A 12 11.648 19.995 -18.434 1.00 0.00 N ATOM 183 CA ILE A 12 10.258 20.424 -18.348 1.00 0.00 C ATOM 184 C ILE A 12 10.076 21.746 -19.098 1.00 0.00 C ATOM 185 O ILE A 12 9.128 21.884 -19.866 1.00 0.00 O ATOM 186 CB ILE A 12 9.825 20.486 -16.870 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.795 19.049 -16.315 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.445 21.137 -16.687 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.675 18.998 -14.791 1.00 0.00 C ATOM 0 H ILE A 12 12.101 19.912 -17.524 1.00 0.00 H new ATOM 0 HA ILE A 12 9.602 19.702 -18.834 1.00 0.00 H new ATOM 0 HB ILE A 12 10.542 21.105 -16.330 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.956 18.512 -16.758 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.703 18.529 -16.620 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.189 21.155 -15.628 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.470 22.156 -17.072 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.696 20.562 -17.232 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.659 17.959 -14.462 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.527 19.508 -14.342 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.753 19.491 -14.482 1.00 0.00 H new ATOM 201 N ARG A 13 10.977 22.712 -18.905 1.00 0.00 N ATOM 202 CA ARG A 13 10.961 23.950 -19.673 1.00 0.00 C ATOM 203 C ARG A 13 11.055 23.654 -21.178 1.00 0.00 C ATOM 204 O ARG A 13 10.200 24.101 -21.942 1.00 0.00 O ATOM 205 CB ARG A 13 12.037 24.902 -19.127 1.00 0.00 C ATOM 206 CG ARG A 13 12.391 26.090 -20.032 1.00 0.00 C ATOM 207 CD ARG A 13 11.188 26.928 -20.470 1.00 0.00 C ATOM 208 NE ARG A 13 10.427 27.477 -19.347 1.00 0.00 N ATOM 209 CZ ARG A 13 9.409 28.333 -19.513 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.989 28.656 -20.743 1.00 0.00 N ATOM 211 NH2 ARG A 13 8.815 28.867 -18.444 1.00 0.00 N ATOM 0 H ARG A 13 11.729 22.656 -18.218 1.00 0.00 H new ATOM 0 HA ARG A 13 10.011 24.470 -19.554 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.701 25.289 -18.165 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.944 24.327 -18.940 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.096 26.734 -19.507 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.901 25.716 -20.920 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.534 27.747 -21.100 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.528 26.312 -21.081 1.00 0.00 H new ATOM 0 HE ARG A 13 10.682 27.197 -18.400 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.444 28.250 -21.560 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.214 29.308 -20.862 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.136 28.623 -17.507 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.040 29.519 -18.564 1.00 0.00 H new ATOM 225 N GLU A 14 12.045 22.874 -21.619 1.00 0.00 N ATOM 226 CA GLU A 14 12.174 22.529 -23.034 1.00 0.00 C ATOM 227 C GLU A 14 10.878 21.907 -23.575 1.00 0.00 C ATOM 228 O GLU A 14 10.352 22.343 -24.599 1.00 0.00 O ATOM 229 CB GLU A 14 13.372 21.595 -23.261 1.00 0.00 C ATOM 230 CG GLU A 14 14.720 22.241 -22.902 1.00 0.00 C ATOM 231 CD GLU A 14 14.993 23.507 -23.706 1.00 0.00 C ATOM 232 OE1 GLU A 14 15.072 23.382 -24.947 1.00 0.00 O ATOM 233 OE2 GLU A 14 15.110 24.575 -23.068 1.00 0.00 O ATOM 0 H GLU A 14 12.765 22.472 -21.019 1.00 0.00 H new ATOM 0 HA GLU A 14 12.354 23.450 -23.588 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.239 20.692 -22.665 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.391 21.287 -24.306 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.733 22.480 -21.839 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.521 21.523 -23.077 1.00 0.00 H new ATOM 240 N ALA A 15 10.356 20.895 -22.878 1.00 0.00 N ATOM 241 CA ALA A 15 9.110 20.234 -23.243 1.00 0.00 C ATOM 242 C ALA A 15 7.972 21.251 -23.344 1.00 0.00 C ATOM 243 O ALA A 15 7.257 21.287 -24.342 1.00 0.00 O ATOM 244 CB ALA A 15 8.785 19.137 -22.225 1.00 0.00 C ATOM 0 H ALA A 15 10.792 20.512 -22.039 1.00 0.00 H new ATOM 0 HA ALA A 15 9.226 19.770 -24.222 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.852 18.647 -22.504 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.591 18.403 -22.211 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.680 19.579 -21.234 1.00 0.00 H new ATOM 250 N PHE A 16 7.818 22.091 -22.318 1.00 0.00 N ATOM 251 CA PHE A 16 6.821 23.149 -22.284 1.00 0.00 C ATOM 252 C PHE A 16 6.922 24.013 -23.539 1.00 0.00 C ATOM 253 O PHE A 16 5.936 24.195 -24.248 1.00 0.00 O ATOM 254 CB PHE A 16 6.984 23.990 -21.011 1.00 0.00 C ATOM 255 CG PHE A 16 6.014 25.149 -20.897 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.734 24.944 -20.355 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.393 26.433 -21.332 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.841 26.021 -20.233 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.503 27.512 -21.198 1.00 0.00 C ATOM 260 CZ PHE A 16 4.235 27.309 -20.630 1.00 0.00 C ATOM 0 H PHE A 16 8.394 22.050 -21.477 1.00 0.00 H new ATOM 0 HA PHE A 16 5.827 22.702 -22.266 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.860 23.342 -20.144 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.002 24.379 -20.975 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.437 23.957 -20.032 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.368 26.589 -21.769 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.851 25.859 -19.834 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.794 28.497 -21.532 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.563 28.144 -20.498 1.00 0.00 H new ATOM 270 N ASP A 17 8.124 24.529 -23.818 1.00 0.00 N ATOM 271 CA ASP A 17 8.380 25.377 -24.973 1.00 0.00 C ATOM 272 C ASP A 17 7.977 24.654 -26.259 1.00 0.00 C ATOM 273 O ASP A 17 7.254 25.214 -27.076 1.00 0.00 O ATOM 274 CB ASP A 17 9.859 25.788 -25.043 1.00 0.00 C ATOM 275 CG ASP A 17 10.349 26.588 -23.840 1.00 0.00 C ATOM 276 OD1 ASP A 17 9.527 27.323 -23.246 1.00 0.00 O ATOM 277 OD2 ASP A 17 11.555 26.463 -23.539 1.00 0.00 O ATOM 0 H ASP A 17 8.949 24.365 -23.240 1.00 0.00 H new ATOM 0 HA ASP A 17 7.780 26.281 -24.866 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.469 24.890 -25.139 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.017 26.379 -25.945 1.00 0.00 H new ATOM 282 N LEU A 18 8.445 23.417 -26.444 1.00 0.00 N ATOM 283 CA LEU A 18 8.123 22.640 -27.635 1.00 0.00 C ATOM 284 C LEU A 18 6.611 22.496 -27.784 1.00 0.00 C ATOM 285 O LEU A 18 6.060 22.768 -28.851 1.00 0.00 O ATOM 286 CB LEU A 18 8.822 21.275 -27.588 1.00 0.00 C ATOM 287 CG LEU A 18 8.535 20.430 -28.845 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.761 19.587 -29.194 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.345 19.475 -28.663 1.00 0.00 C ATOM 0 H LEU A 18 9.050 22.934 -25.780 1.00 0.00 H new ATOM 0 HA LEU A 18 8.491 23.169 -28.514 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.897 21.423 -27.489 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.493 20.730 -26.703 1.00 0.00 H new ATOM 0 HG LEU A 18 8.294 21.135 -29.641 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.552 18.992 -30.083 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.610 20.242 -29.387 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.996 18.924 -28.361 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.191 18.907 -29.580 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.551 18.789 -27.842 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.447 20.051 -28.438 1.00 0.00 H new ATOM 301 N PHE A 19 5.939 22.037 -26.725 1.00 0.00 N ATOM 302 CA PHE A 19 4.500 21.836 -26.751 1.00 0.00 C ATOM 303 C PHE A 19 3.779 23.152 -27.031 1.00 0.00 C ATOM 304 O PHE A 19 2.814 23.171 -27.788 1.00 0.00 O ATOM 305 CB PHE A 19 4.014 21.207 -25.440 1.00 0.00 C ATOM 306 CG PHE A 19 4.519 19.808 -25.118 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.739 18.857 -26.135 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.590 19.403 -23.772 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.079 17.533 -25.810 1.00 0.00 C ATOM 310 CE2 PHE A 19 4.889 18.068 -23.447 1.00 0.00 C ATOM 311 CZ PHE A 19 5.162 17.138 -24.464 1.00 0.00 C ATOM 0 H PHE A 19 6.378 21.798 -25.836 1.00 0.00 H new ATOM 0 HA PHE A 19 4.264 21.144 -27.560 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.299 21.867 -24.621 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.925 21.178 -25.461 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.646 19.148 -27.171 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.414 20.121 -22.985 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.277 16.818 -26.595 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.909 17.757 -22.413 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.435 16.124 -24.212 1.00 0.00 H new ATOM 321 N ASP A 20 4.252 24.263 -26.465 1.00 0.00 N ATOM 322 CA ASP A 20 3.784 25.591 -26.825 1.00 0.00 C ATOM 323 C ASP A 20 4.359 25.977 -28.195 1.00 0.00 C ATOM 324 O ASP A 20 5.029 26.998 -28.340 1.00 0.00 O ATOM 325 CB ASP A 20 4.189 26.586 -25.732 1.00 0.00 C ATOM 326 CG ASP A 20 3.738 28.005 -26.053 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.786 28.156 -26.852 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.375 28.933 -25.510 1.00 0.00 O ATOM 0 H ASP A 20 4.972 24.261 -25.743 1.00 0.00 H new ATOM 0 HA ASP A 20 2.697 25.606 -26.902 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.756 26.275 -24.781 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.272 26.569 -25.610 1.00 0.00 H new ATOM 333 N THR A 21 4.078 25.173 -29.219 1.00 0.00 N ATOM 334 CA THR A 21 4.641 25.314 -30.549 1.00 0.00 C ATOM 335 C THR A 21 4.261 26.669 -31.157 1.00 0.00 C ATOM 336 O THR A 21 5.033 27.249 -31.915 1.00 0.00 O ATOM 337 CB THR A 21 4.163 24.127 -31.401 1.00 0.00 C ATOM 338 OG1 THR A 21 3.898 23.014 -30.569 1.00 0.00 O ATOM 339 CG2 THR A 21 5.214 23.695 -32.425 1.00 0.00 C ATOM 0 H THR A 21 3.434 24.386 -29.138 1.00 0.00 H new ATOM 0 HA THR A 21 5.730 25.297 -30.510 1.00 0.00 H new ATOM 0 HB THR A 21 3.265 24.456 -31.925 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.663 22.860 -29.976 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.833 22.854 -33.004 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.433 24.527 -33.094 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.125 23.396 -31.907 1.00 0.00 H new ATOM 347 N ASP A 22 3.076 27.184 -30.807 1.00 0.00 N ATOM 348 CA ASP A 22 2.619 28.502 -31.233 1.00 0.00 C ATOM 349 C ASP A 22 3.439 29.637 -30.603 1.00 0.00 C ATOM 350 O ASP A 22 3.453 30.746 -31.131 1.00 0.00 O ATOM 351 CB ASP A 22 1.134 28.650 -30.881 1.00 0.00 C ATOM 352 CG ASP A 22 0.578 29.994 -31.343 1.00 0.00 C ATOM 353 OD1 ASP A 22 0.250 30.084 -32.546 1.00 0.00 O ATOM 354 OD2 ASP A 22 0.483 30.906 -30.490 1.00 0.00 O ATOM 0 H ASP A 22 2.407 26.690 -30.216 1.00 0.00 H new ATOM 0 HA ASP A 22 2.759 28.581 -32.311 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.567 27.843 -31.345 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.004 28.553 -29.803 1.00 0.00 H new ATOM 359 N GLY A 23 4.101 29.388 -29.470 1.00 0.00 N ATOM 360 CA GLY A 23 4.828 30.415 -28.738 1.00 0.00 C ATOM 361 C GLY A 23 3.875 31.356 -27.999 1.00 0.00 C ATOM 362 O GLY A 23 4.154 32.544 -27.857 1.00 0.00 O ATOM 0 H GLY A 23 4.145 28.465 -29.038 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.504 29.945 -28.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.445 30.989 -29.430 1.00 0.00 H new ATOM 366 N SER A 24 2.767 30.821 -27.477 1.00 0.00 N ATOM 367 CA SER A 24 1.779 31.562 -26.705 1.00 0.00 C ATOM 368 C SER A 24 2.217 31.823 -25.257 1.00 0.00 C ATOM 369 O SER A 24 1.428 32.318 -24.453 1.00 0.00 O ATOM 370 CB SER A 24 0.480 30.755 -26.690 1.00 0.00 C ATOM 371 OG SER A 24 0.228 30.151 -27.944 1.00 0.00 O ATOM 0 H SER A 24 2.531 29.835 -27.586 1.00 0.00 H new ATOM 0 HA SER A 24 1.651 32.535 -27.180 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.538 29.986 -25.920 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.352 31.408 -26.426 1.00 0.00 H new ATOM 0 HG SER A 24 0.459 30.778 -28.661 1.00 0.00 H new ATOM 377 N GLY A 25 3.424 31.390 -24.887 1.00 0.00 N ATOM 378 CA GLY A 25 3.950 31.405 -23.526 1.00 0.00 C ATOM 379 C GLY A 25 3.152 30.501 -22.581 1.00 0.00 C ATOM 380 O GLY A 25 3.334 30.557 -21.367 1.00 0.00 O ATOM 0 H GLY A 25 4.088 31.003 -25.558 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.991 31.084 -23.538 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.936 32.426 -23.145 1.00 0.00 H new ATOM 384 N THR A 26 2.267 29.672 -23.136 1.00 0.00 N ATOM 385 CA THR A 26 1.261 28.890 -22.448 1.00 0.00 C ATOM 386 C THR A 26 0.911 27.746 -23.403 1.00 0.00 C ATOM 387 O THR A 26 0.938 27.954 -24.613 1.00 0.00 O ATOM 388 CB THR A 26 0.058 29.798 -22.147 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.386 30.444 -23.326 1.00 0.00 O ATOM 390 CG2 THR A 26 0.323 30.878 -21.094 1.00 0.00 C ATOM 0 H THR A 26 2.239 29.525 -24.145 1.00 0.00 H new ATOM 0 HA THR A 26 1.596 28.485 -21.493 1.00 0.00 H new ATOM 0 HB THR A 26 -0.699 29.125 -21.745 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.275 31.114 -23.601 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.580 31.471 -20.946 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.606 30.407 -20.153 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.131 31.526 -21.433 1.00 0.00 H new ATOM 398 N ILE A 27 0.640 26.537 -22.907 1.00 0.00 N ATOM 399 CA ILE A 27 0.272 25.429 -23.788 1.00 0.00 C ATOM 400 C ILE A 27 -1.242 25.483 -23.979 1.00 0.00 C ATOM 401 O ILE A 27 -1.969 25.217 -23.027 1.00 0.00 O ATOM 402 CB ILE A 27 0.710 24.076 -23.207 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.226 24.056 -22.977 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.318 22.947 -24.174 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.640 22.779 -22.251 1.00 0.00 C ATOM 0 H ILE A 27 0.668 26.303 -21.915 1.00 0.00 H new ATOM 0 HA ILE A 27 0.782 25.527 -24.747 1.00 0.00 H new ATOM 0 HB ILE A 27 0.209 23.927 -22.250 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.746 24.123 -23.933 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.522 24.926 -22.392 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.630 21.988 -23.760 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.763 22.947 -24.315 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.809 23.104 -25.135 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.719 22.782 -22.096 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.135 22.729 -21.286 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.362 21.913 -22.851 1.00 0.00 H new ATOM 417 N ASP A 28 -1.742 25.818 -25.171 1.00 0.00 N ATOM 418 CA ASP A 28 -3.182 25.783 -25.424 1.00 0.00 C ATOM 419 C ASP A 28 -3.720 24.361 -25.240 1.00 0.00 C ATOM 420 O ASP A 28 -3.014 23.409 -25.557 1.00 0.00 O ATOM 421 CB ASP A 28 -3.477 26.297 -26.838 1.00 0.00 C ATOM 422 CG ASP A 28 -4.976 26.304 -27.117 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.605 27.343 -26.822 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.472 25.261 -27.595 1.00 0.00 O ATOM 0 H ASP A 28 -1.177 26.113 -25.967 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.685 26.432 -24.707 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.078 27.305 -26.953 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.970 25.668 -27.570 1.00 0.00 H new ATOM 429 N ALA A 29 -4.965 24.195 -24.776 1.00 0.00 N ATOM 430 CA ALA A 29 -5.622 22.891 -24.683 1.00 0.00 C ATOM 431 C ALA A 29 -5.322 21.978 -25.886 1.00 0.00 C ATOM 432 O ALA A 29 -4.938 20.823 -25.710 1.00 0.00 O ATOM 433 CB ALA A 29 -7.131 23.096 -24.526 1.00 0.00 C ATOM 0 H ALA A 29 -5.546 24.969 -24.453 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.219 22.381 -23.808 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.625 22.127 -24.456 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.328 23.669 -23.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.516 23.638 -25.390 1.00 0.00 H new ATOM 439 N LYS A 30 -5.462 22.500 -27.109 1.00 0.00 N ATOM 440 CA LYS A 30 -5.168 21.752 -28.327 1.00 0.00 C ATOM 441 C LYS A 30 -3.707 21.287 -28.347 1.00 0.00 C ATOM 442 O LYS A 30 -3.416 20.131 -28.648 1.00 0.00 O ATOM 443 CB LYS A 30 -5.474 22.615 -29.559 1.00 0.00 C ATOM 444 CG LYS A 30 -6.956 23.006 -29.640 1.00 0.00 C ATOM 445 CD LYS A 30 -7.192 23.892 -30.870 1.00 0.00 C ATOM 446 CE LYS A 30 -8.670 24.267 -31.034 1.00 0.00 C ATOM 447 NZ LYS A 30 -9.161 25.088 -29.913 1.00 0.00 N ATOM 0 H LYS A 30 -5.783 23.453 -27.278 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.802 20.866 -28.349 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.863 23.517 -29.529 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.194 22.070 -30.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.575 22.111 -29.701 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.252 23.537 -28.735 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.595 24.800 -30.782 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.849 23.370 -31.764 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.804 24.813 -31.968 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.268 23.359 -31.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.132 25.403 -30.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.153 24.523 -29.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.545 25.918 -29.794 1.00 0.00 H new ATOM 461 N GLU A 31 -2.779 22.185 -28.011 1.00 0.00 N ATOM 462 CA GLU A 31 -1.368 21.852 -27.916 1.00 0.00 C ATOM 463 C GLU A 31 -1.137 20.797 -26.828 1.00 0.00 C ATOM 464 O GLU A 31 -0.290 19.923 -26.990 1.00 0.00 O ATOM 465 CB GLU A 31 -0.536 23.110 -27.651 1.00 0.00 C ATOM 466 CG GLU A 31 -0.532 24.092 -28.831 1.00 0.00 C ATOM 467 CD GLU A 31 0.257 25.359 -28.497 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.055 25.948 -27.438 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.145 25.720 -29.302 1.00 0.00 O ATOM 0 H GLU A 31 -2.990 23.160 -27.799 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.045 21.430 -28.868 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.925 23.616 -26.767 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.490 22.819 -27.426 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.097 23.610 -29.706 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.557 24.357 -29.090 1.00 0.00 H new ATOM 476 N LEU A 32 -1.879 20.857 -25.719 1.00 0.00 N ATOM 477 CA LEU A 32 -1.770 19.845 -24.675 1.00 0.00 C ATOM 478 C LEU A 32 -2.258 18.491 -25.202 1.00 0.00 C ATOM 479 O LEU A 32 -1.638 17.464 -24.943 1.00 0.00 O ATOM 480 CB LEU A 32 -2.530 20.268 -23.410 1.00 0.00 C ATOM 481 CG LEU A 32 -1.930 19.634 -22.141 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.631 20.323 -21.696 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.978 19.684 -21.024 1.00 0.00 C ATOM 0 H LEU A 32 -2.557 21.594 -25.525 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.721 19.743 -24.396 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.507 21.354 -23.319 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.577 19.978 -23.501 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.666 18.601 -22.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.251 19.837 -20.798 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.111 20.248 -22.491 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.831 21.373 -21.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.566 19.238 -20.119 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.250 20.721 -20.826 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.864 19.129 -21.331 1.00 0.00 H new ATOM 495 N LYS A 33 -3.360 18.475 -25.956 1.00 0.00 N ATOM 496 CA LYS A 33 -3.834 17.271 -26.627 1.00 0.00 C ATOM 497 C LYS A 33 -2.751 16.723 -27.564 1.00 0.00 C ATOM 498 O LYS A 33 -2.427 15.537 -27.493 1.00 0.00 O ATOM 499 CB LYS A 33 -5.185 17.564 -27.293 1.00 0.00 C ATOM 500 CG LYS A 33 -5.839 16.392 -28.040 1.00 0.00 C ATOM 501 CD LYS A 33 -5.199 16.106 -29.408 1.00 0.00 C ATOM 502 CE LYS A 33 -6.177 15.353 -30.317 1.00 0.00 C ATOM 503 NZ LYS A 33 -5.537 14.976 -31.589 1.00 0.00 N ATOM 0 H LYS A 33 -3.944 19.296 -26.116 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.018 16.467 -25.914 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.877 17.911 -26.526 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.050 18.386 -27.996 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.774 15.496 -27.423 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.898 16.606 -28.181 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.904 17.043 -29.880 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.292 15.517 -29.275 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.536 14.458 -29.808 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.048 15.978 -30.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.221 14.468 -32.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.216 15.833 -32.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.721 14.361 -31.398 1.00 0.00 H new ATOM 517 N VAL A 34 -2.165 17.574 -28.415 1.00 0.00 N ATOM 518 CA VAL A 34 -1.023 17.192 -29.247 1.00 0.00 C ATOM 519 C VAL A 34 0.078 16.571 -28.380 1.00 0.00 C ATOM 520 O VAL A 34 0.558 15.479 -28.680 1.00 0.00 O ATOM 521 CB VAL A 34 -0.512 18.402 -30.056 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.874 18.165 -30.677 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.507 18.745 -31.172 1.00 0.00 C ATOM 0 H VAL A 34 -2.468 18.539 -28.544 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.341 16.437 -29.966 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.421 19.230 -29.353 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.180 19.051 -31.233 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.598 17.965 -29.887 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.829 17.310 -31.352 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.138 19.600 -31.738 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.616 17.889 -31.838 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.475 18.990 -30.734 1.00 0.00 H new ATOM 533 N ALA A 35 0.472 17.256 -27.304 1.00 0.00 N ATOM 534 CA ALA A 35 1.502 16.796 -26.387 1.00 0.00 C ATOM 535 C ALA A 35 1.185 15.392 -25.878 1.00 0.00 C ATOM 536 O ALA A 35 1.988 14.479 -26.034 1.00 0.00 O ATOM 537 CB ALA A 35 1.651 17.783 -25.226 1.00 0.00 C ATOM 0 H ALA A 35 0.074 18.159 -27.047 1.00 0.00 H new ATOM 0 HA ALA A 35 2.451 16.748 -26.921 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.425 17.429 -24.545 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.930 18.763 -25.615 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.705 17.861 -24.691 1.00 0.00 H new ATOM 543 N MET A 36 0.005 15.208 -25.286 1.00 0.00 N ATOM 544 CA MET A 36 -0.450 13.918 -24.794 1.00 0.00 C ATOM 545 C MET A 36 -0.405 12.864 -25.899 1.00 0.00 C ATOM 546 O MET A 36 0.095 11.760 -25.678 1.00 0.00 O ATOM 547 CB MET A 36 -1.831 14.077 -24.147 1.00 0.00 C ATOM 548 CG MET A 36 -1.651 14.624 -22.725 1.00 0.00 C ATOM 549 SD MET A 36 -3.167 14.919 -21.786 1.00 0.00 S ATOM 550 CE MET A 36 -3.833 16.286 -22.747 1.00 0.00 C ATOM 0 H MET A 36 -0.665 15.962 -25.135 1.00 0.00 H new ATOM 0 HA MET A 36 0.225 13.554 -24.020 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.448 14.755 -24.737 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.348 13.118 -24.120 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.031 13.924 -22.164 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.098 15.561 -22.786 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.691 16.712 -22.227 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.067 17.051 -22.870 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.145 15.924 -23.727 1.00 0.00 H new ATOM 560 N ARG A 37 -0.891 13.187 -27.098 1.00 0.00 N ATOM 561 CA ARG A 37 -0.826 12.253 -28.211 1.00 0.00 C ATOM 562 C ARG A 37 0.629 11.857 -28.494 1.00 0.00 C ATOM 563 O ARG A 37 0.936 10.670 -28.589 1.00 0.00 O ATOM 564 CB ARG A 37 -1.529 12.835 -29.448 1.00 0.00 C ATOM 565 CG ARG A 37 -1.863 11.749 -30.480 1.00 0.00 C ATOM 566 CD ARG A 37 -3.090 10.927 -30.063 1.00 0.00 C ATOM 567 NE ARG A 37 -3.333 9.828 -31.005 1.00 0.00 N ATOM 568 CZ ARG A 37 -3.314 8.510 -30.737 1.00 0.00 C ATOM 569 NH1 ARG A 37 -3.058 8.030 -29.513 1.00 0.00 N ATOM 570 NH2 ARG A 37 -3.560 7.653 -31.735 1.00 0.00 N ATOM 0 H ARG A 37 -1.329 14.081 -27.318 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.360 11.341 -27.943 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.446 13.339 -29.141 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.890 13.589 -29.908 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.048 12.213 -31.449 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.006 11.087 -30.602 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.939 10.525 -29.061 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.967 11.573 -30.019 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.539 10.093 -31.968 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.868 8.672 -28.743 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.053 7.023 -29.351 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.756 8.004 -32.672 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.552 6.648 -31.558 1.00 0.00 H new ATOM 584 N ALA A 38 1.537 12.834 -28.578 1.00 0.00 N ATOM 585 CA ALA A 38 2.963 12.580 -28.760 1.00 0.00 C ATOM 586 C ALA A 38 3.525 11.715 -27.626 1.00 0.00 C ATOM 587 O ALA A 38 4.329 10.819 -27.868 1.00 0.00 O ATOM 588 CB ALA A 38 3.721 13.906 -28.883 1.00 0.00 C ATOM 0 H ALA A 38 1.300 13.824 -28.521 1.00 0.00 H new ATOM 0 HA ALA A 38 3.099 12.020 -29.685 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.784 13.706 -29.018 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.344 14.462 -29.741 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.575 14.494 -27.977 1.00 0.00 H new ATOM 594 N LEU A 39 3.077 11.956 -26.391 1.00 0.00 N ATOM 595 CA LEU A 39 3.415 11.156 -25.217 1.00 0.00 C ATOM 596 C LEU A 39 2.764 9.760 -25.256 1.00 0.00 C ATOM 597 O LEU A 39 2.963 8.976 -24.332 1.00 0.00 O ATOM 598 CB LEU A 39 3.000 11.906 -23.938 1.00 0.00 C ATOM 599 CG LEU A 39 3.772 13.212 -23.675 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.980 14.112 -22.711 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.152 12.914 -23.076 1.00 0.00 C ATOM 0 H LEU A 39 2.453 12.734 -26.177 1.00 0.00 H new ATOM 0 HA LEU A 39 4.495 11.005 -25.219 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.936 12.135 -23.997 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.136 11.242 -23.084 1.00 0.00 H new ATOM 0 HG LEU A 39 3.903 13.727 -24.627 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.536 15.032 -22.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.012 14.352 -23.150 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.830 13.590 -21.766 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.681 13.850 -22.898 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.032 12.380 -22.133 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.725 12.300 -23.771 1.00 0.00 H new ATOM 613 N GLY A 40 1.988 9.433 -26.294 1.00 0.00 N ATOM 614 CA GLY A 40 1.412 8.112 -26.496 1.00 0.00 C ATOM 615 C GLY A 40 0.085 7.927 -25.762 1.00 0.00 C ATOM 616 O GLY A 40 -0.371 6.798 -25.598 1.00 0.00 O ATOM 0 H GLY A 40 1.741 10.097 -27.028 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.258 7.947 -27.562 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.119 7.356 -26.155 1.00 0.00 H new ATOM 620 N PHE A 41 -0.558 9.016 -25.334 1.00 0.00 N ATOM 621 CA PHE A 41 -1.875 8.944 -24.718 1.00 0.00 C ATOM 622 C PHE A 41 -2.930 8.713 -25.799 1.00 0.00 C ATOM 623 O PHE A 41 -2.706 8.998 -26.977 1.00 0.00 O ATOM 624 CB PHE A 41 -2.229 10.265 -24.015 1.00 0.00 C ATOM 625 CG PHE A 41 -1.540 10.592 -22.698 1.00 0.00 C ATOM 626 CD1 PHE A 41 -0.144 10.466 -22.544 1.00 0.00 C ATOM 627 CD2 PHE A 41 -2.300 11.139 -21.642 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.475 10.843 -21.341 1.00 0.00 C ATOM 629 CE2 PHE A 41 -1.677 11.527 -20.443 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.289 11.377 -20.290 1.00 0.00 C ATOM 0 H PHE A 41 -0.181 9.961 -25.406 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.858 8.130 -23.994 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.019 11.078 -24.710 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.304 10.268 -23.837 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.453 10.077 -23.356 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.367 11.260 -21.756 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.542 10.722 -21.224 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.267 11.941 -19.638 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.189 11.671 -19.367 1.00 0.00 H new ATOM 640 N GLU A 42 -4.107 8.261 -25.368 1.00 0.00 N ATOM 641 CA GLU A 42 -5.318 8.187 -26.160 1.00 0.00 C ATOM 642 C GLU A 42 -6.249 9.286 -25.622 1.00 0.00 C ATOM 643 O GLU A 42 -6.738 9.152 -24.504 1.00 0.00 O ATOM 644 CB GLU A 42 -5.914 6.773 -26.065 1.00 0.00 C ATOM 645 CG GLU A 42 -5.932 6.136 -24.661 1.00 0.00 C ATOM 646 CD GLU A 42 -6.609 4.765 -24.652 1.00 0.00 C ATOM 647 OE1 GLU A 42 -6.841 4.222 -25.754 1.00 0.00 O ATOM 648 OE2 GLU A 42 -6.882 4.282 -23.532 1.00 0.00 O ATOM 0 H GLU A 42 -4.240 7.923 -24.415 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.144 8.358 -27.222 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.937 6.806 -26.439 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.352 6.119 -26.731 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.909 6.036 -24.297 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.452 6.800 -23.970 1.00 0.00 H new ATOM 655 N PRO A 43 -6.434 10.409 -26.341 1.00 0.00 N ATOM 656 CA PRO A 43 -7.267 11.529 -25.917 1.00 0.00 C ATOM 657 C PRO A 43 -8.726 11.174 -25.590 1.00 0.00 C ATOM 658 O PRO A 43 -9.639 11.464 -26.363 1.00 0.00 O ATOM 659 CB PRO A 43 -7.156 12.566 -27.042 1.00 0.00 C ATOM 660 CG PRO A 43 -5.737 12.340 -27.551 1.00 0.00 C ATOM 661 CD PRO A 43 -5.592 10.822 -27.453 1.00 0.00 C ATOM 0 HA PRO A 43 -6.906 11.909 -24.961 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.899 12.401 -27.822 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.300 13.582 -26.674 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.611 12.695 -28.574 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.999 12.859 -26.940 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.905 10.340 -28.379 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.553 10.540 -27.282 1.00 0.00 H new ATOM 669 N LYS A 44 -8.959 10.608 -24.404 1.00 0.00 N ATOM 670 CA LYS A 44 -10.287 10.402 -23.843 1.00 0.00 C ATOM 671 C LYS A 44 -10.917 11.766 -23.543 1.00 0.00 C ATOM 672 O LYS A 44 -10.879 12.234 -22.406 1.00 0.00 O ATOM 673 CB LYS A 44 -10.202 9.536 -22.578 1.00 0.00 C ATOM 674 CG LYS A 44 -9.675 8.126 -22.868 1.00 0.00 C ATOM 675 CD LYS A 44 -9.745 7.272 -21.596 1.00 0.00 C ATOM 676 CE LYS A 44 -9.065 5.920 -21.830 1.00 0.00 C ATOM 677 NZ LYS A 44 -9.179 5.046 -20.650 1.00 0.00 N ATOM 0 H LYS A 44 -8.210 10.274 -23.797 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.915 9.874 -24.560 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.551 10.022 -21.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.190 9.465 -22.123 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.264 7.664 -23.660 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.647 8.179 -23.225 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.259 7.794 -20.771 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.785 7.119 -21.308 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.516 5.429 -22.692 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.013 6.077 -22.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.708 4.139 -20.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.727 5.504 -19.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.183 4.876 -20.439 1.00 0.00 H new ATOM 691 N LYS A 45 -11.475 12.395 -24.582 1.00 0.00 N ATOM 692 CA LYS A 45 -11.989 13.762 -24.618 1.00 0.00 C ATOM 693 C LYS A 45 -12.565 14.245 -23.282 1.00 0.00 C ATOM 694 O LYS A 45 -12.121 15.261 -22.757 1.00 0.00 O ATOM 695 CB LYS A 45 -13.033 13.894 -25.738 1.00 0.00 C ATOM 696 CG LYS A 45 -12.444 13.606 -27.126 1.00 0.00 C ATOM 697 CD LYS A 45 -13.497 13.889 -28.207 1.00 0.00 C ATOM 698 CE LYS A 45 -12.996 13.510 -29.607 1.00 0.00 C ATOM 699 NZ LYS A 45 -11.830 14.314 -30.014 1.00 0.00 N ATOM 0 H LYS A 45 -11.586 11.927 -25.481 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.137 14.410 -24.821 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.856 13.206 -25.546 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.450 14.901 -25.725 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.563 14.225 -27.293 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.119 12.567 -27.185 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.406 13.331 -27.983 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.760 14.947 -28.190 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.730 12.453 -29.623 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.801 13.647 -30.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.577 14.086 -30.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.063 15.325 -29.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.026 14.100 -29.390 1.00 0.00 H new ATOM 713 N GLU A 46 -13.550 13.530 -22.729 1.00 0.00 N ATOM 714 CA GLU A 46 -14.168 13.902 -21.461 1.00 0.00 C ATOM 715 C GLU A 46 -13.113 14.049 -20.360 1.00 0.00 C ATOM 716 O GLU A 46 -13.075 15.052 -19.650 1.00 0.00 O ATOM 717 CB GLU A 46 -15.225 12.858 -21.076 1.00 0.00 C ATOM 718 CG GLU A 46 -15.988 13.271 -19.805 1.00 0.00 C ATOM 719 CD GLU A 46 -17.016 12.233 -19.363 1.00 0.00 C ATOM 720 OE1 GLU A 46 -17.181 11.229 -20.091 1.00 0.00 O ATOM 721 OE2 GLU A 46 -17.627 12.472 -18.299 1.00 0.00 O ATOM 0 H GLU A 46 -13.936 12.684 -23.147 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.656 14.870 -21.577 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.928 12.730 -21.899 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.744 11.893 -20.916 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.275 13.435 -18.997 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.492 14.221 -19.983 1.00 0.00 H new ATOM 728 N GLU A 47 -12.262 13.033 -20.211 1.00 0.00 N ATOM 729 CA GLU A 47 -11.268 12.981 -19.155 1.00 0.00 C ATOM 730 C GLU A 47 -10.215 14.062 -19.386 1.00 0.00 C ATOM 731 O GLU A 47 -9.804 14.730 -18.442 1.00 0.00 O ATOM 732 CB GLU A 47 -10.645 11.581 -19.079 1.00 0.00 C ATOM 733 CG GLU A 47 -11.703 10.467 -19.014 1.00 0.00 C ATOM 734 CD GLU A 47 -12.719 10.702 -17.900 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.328 10.510 -16.729 1.00 0.00 O ATOM 736 OE2 GLU A 47 -13.860 11.086 -18.240 1.00 0.00 O ATOM 0 H GLU A 47 -12.249 12.221 -20.828 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.744 13.176 -18.194 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.009 11.423 -19.950 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.003 11.520 -18.200 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.222 10.405 -19.970 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.209 9.508 -18.857 1.00 0.00 H new ATOM 743 N ILE A 48 -9.806 14.253 -20.643 1.00 0.00 N ATOM 744 CA ILE A 48 -8.927 15.349 -21.036 1.00 0.00 C ATOM 745 C ILE A 48 -9.527 16.679 -20.560 1.00 0.00 C ATOM 746 O ILE A 48 -8.869 17.438 -19.848 1.00 0.00 O ATOM 747 CB ILE A 48 -8.700 15.311 -22.561 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.978 14.027 -23.016 1.00 0.00 C ATOM 749 CG2 ILE A 48 -7.965 16.561 -23.064 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.477 14.017 -22.716 1.00 0.00 C ATOM 0 H ILE A 48 -10.078 13.647 -21.417 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.950 15.244 -20.564 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.691 15.303 -23.014 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.441 13.170 -22.528 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.125 13.901 -24.089 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.826 16.492 -24.143 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.553 17.448 -22.830 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.992 16.632 -22.577 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.042 13.081 -23.066 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.998 14.853 -23.226 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.320 14.110 -21.641 1.00 0.00 H new ATOM 762 N LYS A 49 -10.777 16.956 -20.939 1.00 0.00 N ATOM 763 CA LYS A 49 -11.476 18.183 -20.582 1.00 0.00 C ATOM 764 C LYS A 49 -11.494 18.345 -19.057 1.00 0.00 C ATOM 765 O LYS A 49 -11.090 19.387 -18.538 1.00 0.00 O ATOM 766 CB LYS A 49 -12.890 18.159 -21.194 1.00 0.00 C ATOM 767 CG LYS A 49 -13.500 19.545 -21.450 1.00 0.00 C ATOM 768 CD LYS A 49 -13.620 20.394 -20.181 1.00 0.00 C ATOM 769 CE LYS A 49 -14.475 21.643 -20.405 1.00 0.00 C ATOM 770 NZ LYS A 49 -14.605 22.413 -19.155 1.00 0.00 N ATOM 0 H LYS A 49 -11.336 16.322 -21.510 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.957 19.051 -20.988 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.854 17.613 -22.136 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.550 17.603 -20.528 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.887 20.076 -22.178 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.488 19.424 -21.893 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.057 19.794 -19.383 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.625 20.691 -19.848 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.023 22.266 -21.177 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.462 21.355 -20.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.576 23.430 -19.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.510 22.182 -18.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.822 22.171 -18.515 1.00 0.00 H new ATOM 784 N LYS A 50 -11.951 17.318 -18.335 1.00 0.00 N ATOM 785 CA LYS A 50 -11.981 17.326 -16.878 1.00 0.00 C ATOM 786 C LYS A 50 -10.601 17.685 -16.320 1.00 0.00 C ATOM 787 O LYS A 50 -10.474 18.667 -15.592 1.00 0.00 O ATOM 788 CB LYS A 50 -12.462 15.970 -16.342 1.00 0.00 C ATOM 789 CG LYS A 50 -13.950 15.703 -16.609 1.00 0.00 C ATOM 790 CD LYS A 50 -14.858 16.451 -15.624 1.00 0.00 C ATOM 791 CE LYS A 50 -16.323 16.074 -15.869 1.00 0.00 C ATOM 792 NZ LYS A 50 -17.221 16.758 -14.922 1.00 0.00 N ATOM 0 H LYS A 50 -12.310 16.458 -18.750 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.688 18.086 -16.545 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.870 15.176 -16.798 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.279 15.926 -15.268 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.195 16.005 -17.627 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.144 14.633 -16.539 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.577 16.205 -14.600 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.727 17.527 -15.741 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.601 16.335 -16.890 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -16.443 14.995 -15.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.205 16.481 -15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.970 16.489 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.123 17.787 -15.033 1.00 0.00 H new ATOM 806 N MET A 51 -9.571 16.912 -16.669 1.00 0.00 N ATOM 807 CA MET A 51 -8.213 17.119 -16.204 1.00 0.00 C ATOM 808 C MET A 51 -7.776 18.566 -16.446 1.00 0.00 C ATOM 809 O MET A 51 -7.393 19.259 -15.503 1.00 0.00 O ATOM 810 CB MET A 51 -7.310 16.082 -16.886 1.00 0.00 C ATOM 811 CG MET A 51 -5.894 16.051 -16.307 1.00 0.00 C ATOM 812 SD MET A 51 -4.751 17.361 -16.824 1.00 0.00 S ATOM 813 CE MET A 51 -4.523 16.945 -18.566 1.00 0.00 C ATOM 0 H MET A 51 -9.667 16.112 -17.294 1.00 0.00 H new ATOM 0 HA MET A 51 -8.140 16.971 -15.127 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.760 15.094 -16.785 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.256 16.300 -17.953 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.974 16.083 -15.220 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.446 15.092 -16.565 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.462 16.795 -18.769 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.069 16.030 -18.796 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.900 17.758 -19.187 1.00 0.00 H new ATOM 823 N ILE A 52 -7.881 19.039 -17.692 1.00 0.00 N ATOM 824 CA ILE A 52 -7.559 20.419 -18.033 1.00 0.00 C ATOM 825 C ILE A 52 -8.305 21.372 -17.096 1.00 0.00 C ATOM 826 O ILE A 52 -7.687 22.255 -16.509 1.00 0.00 O ATOM 827 CB ILE A 52 -7.838 20.693 -19.526 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.794 19.943 -20.375 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.791 22.198 -19.839 1.00 0.00 C ATOM 830 CD1 ILE A 52 -7.095 19.976 -21.877 1.00 0.00 C ATOM 0 H ILE A 52 -8.190 18.476 -18.485 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.493 20.595 -17.888 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.841 20.339 -19.766 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.811 20.380 -20.199 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.745 18.906 -20.044 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.992 22.356 -20.899 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.544 22.717 -19.246 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.804 22.590 -19.595 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.321 19.429 -22.415 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.063 19.512 -22.064 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.115 21.010 -22.221 1.00 0.00 H new ATOM 842 N SER A 53 -9.615 21.187 -16.926 1.00 0.00 N ATOM 843 CA SER A 53 -10.410 22.043 -16.054 1.00 0.00 C ATOM 844 C SER A 53 -9.859 22.052 -14.626 1.00 0.00 C ATOM 845 O SER A 53 -9.681 23.122 -14.050 1.00 0.00 O ATOM 846 CB SER A 53 -11.885 21.630 -16.079 1.00 0.00 C ATOM 847 OG SER A 53 -12.353 21.592 -17.413 1.00 0.00 O ATOM 0 H SER A 53 -10.147 20.447 -17.385 1.00 0.00 H new ATOM 0 HA SER A 53 -10.341 23.062 -16.435 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.005 20.651 -15.614 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.479 22.334 -15.496 1.00 0.00 H new ATOM 0 HG SER A 53 -11.996 20.797 -17.862 1.00 0.00 H new ATOM 853 N GLU A 54 -9.574 20.876 -14.057 1.00 0.00 N ATOM 854 CA GLU A 54 -9.007 20.783 -12.717 1.00 0.00 C ATOM 855 C GLU A 54 -7.670 21.527 -12.631 1.00 0.00 C ATOM 856 O GLU A 54 -7.411 22.218 -11.649 1.00 0.00 O ATOM 857 CB GLU A 54 -8.844 19.316 -12.288 1.00 0.00 C ATOM 858 CG GLU A 54 -10.171 18.547 -12.202 1.00 0.00 C ATOM 859 CD GLU A 54 -11.173 19.205 -11.258 1.00 0.00 C ATOM 860 OE1 GLU A 54 -10.920 19.148 -10.035 1.00 0.00 O ATOM 861 OE2 GLU A 54 -12.168 19.753 -11.778 1.00 0.00 O ATOM 0 H GLU A 54 -9.729 19.975 -14.509 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.703 21.261 -12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.187 18.811 -12.995 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.352 19.283 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.609 18.475 -13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.975 17.529 -11.865 1.00 0.00 H new ATOM 868 N ILE A 55 -6.814 21.386 -13.647 1.00 0.00 N ATOM 869 CA ILE A 55 -5.526 22.072 -13.660 1.00 0.00 C ATOM 870 C ILE A 55 -5.702 23.580 -13.879 1.00 0.00 C ATOM 871 O ILE A 55 -4.881 24.361 -13.397 1.00 0.00 O ATOM 872 CB ILE A 55 -4.594 21.440 -14.715 1.00 0.00 C ATOM 873 CG1 ILE A 55 -4.276 19.960 -14.419 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.288 22.233 -14.856 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.613 19.689 -13.066 1.00 0.00 C ATOM 0 H ILE A 55 -6.992 20.805 -14.466 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.056 21.949 -12.684 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.139 21.480 -15.658 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.203 19.389 -14.471 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.624 19.581 -15.206 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.655 21.761 -15.607 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.514 23.254 -15.162 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.766 22.248 -13.899 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.432 18.620 -12.957 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.665 20.225 -13.011 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.269 20.029 -12.265 1.00 0.00 H new ATOM 887 N ASP A 56 -6.732 24.001 -14.620 1.00 0.00 N ATOM 888 CA ASP A 56 -6.931 25.390 -15.021 1.00 0.00 C ATOM 889 C ASP A 56 -7.321 26.273 -13.828 1.00 0.00 C ATOM 890 O ASP A 56 -8.466 26.702 -13.694 1.00 0.00 O ATOM 891 CB ASP A 56 -7.953 25.464 -16.166 1.00 0.00 C ATOM 892 CG ASP A 56 -7.995 26.833 -16.841 1.00 0.00 C ATOM 893 OD1 ASP A 56 -7.590 27.827 -16.197 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.405 26.869 -18.023 1.00 0.00 O ATOM 0 H ASP A 56 -7.460 23.373 -14.961 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.986 25.786 -15.392 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.712 24.705 -16.910 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.943 25.226 -15.778 1.00 0.00 H new ATOM 899 N LYS A 57 -6.333 26.592 -12.994 1.00 0.00 N ATOM 900 CA LYS A 57 -6.412 27.549 -11.911 1.00 0.00 C ATOM 901 C LYS A 57 -6.219 28.969 -12.456 1.00 0.00 C ATOM 902 O LYS A 57 -6.816 29.918 -11.953 1.00 0.00 O ATOM 903 CB LYS A 57 -5.316 27.159 -10.909 1.00 0.00 C ATOM 904 CG LYS A 57 -5.163 28.121 -9.727 1.00 0.00 C ATOM 905 CD LYS A 57 -6.442 28.321 -8.900 1.00 0.00 C ATOM 906 CE LYS A 57 -7.056 27.013 -8.383 1.00 0.00 C ATOM 907 NZ LYS A 57 -6.094 26.224 -7.593 1.00 0.00 N ATOM 0 H LYS A 57 -5.411 26.163 -13.066 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.385 27.537 -11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.532 26.162 -10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.364 27.098 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.376 27.749 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.833 29.089 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.217 28.967 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.180 28.842 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.928 27.240 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.405 26.418 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.573 25.392 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.314 25.913 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.715 26.810 -6.821 1.00 0.00 H new ATOM 921 N ASP A 58 -5.353 29.116 -13.463 1.00 0.00 N ATOM 922 CA ASP A 58 -4.906 30.388 -14.022 1.00 0.00 C ATOM 923 C ASP A 58 -4.514 30.187 -15.488 1.00 0.00 C ATOM 924 O ASP A 58 -3.619 30.848 -16.005 1.00 0.00 O ATOM 925 CB ASP A 58 -3.735 30.936 -13.187 1.00 0.00 C ATOM 926 CG ASP A 58 -2.571 29.948 -13.088 1.00 0.00 C ATOM 927 OD1 ASP A 58 -2.611 29.122 -12.151 1.00 0.00 O ATOM 928 OD2 ASP A 58 -1.663 30.024 -13.943 1.00 0.00 O ATOM 0 H ASP A 58 -4.928 28.314 -13.929 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.712 31.121 -13.986 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.381 31.866 -13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.089 31.176 -12.185 1.00 0.00 H new ATOM 933 N GLY A 59 -5.187 29.244 -16.150 1.00 0.00 N ATOM 934 CA GLY A 59 -4.836 28.770 -17.475 1.00 0.00 C ATOM 935 C GLY A 59 -5.730 29.382 -18.550 1.00 0.00 C ATOM 936 O GLY A 59 -5.281 29.683 -19.657 1.00 0.00 O ATOM 0 H GLY A 59 -6.010 28.782 -15.763 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.795 29.015 -17.685 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.920 27.684 -17.507 1.00 0.00 H new ATOM 940 N SER A 60 -7.017 29.554 -18.238 1.00 0.00 N ATOM 941 CA SER A 60 -8.036 30.063 -19.151 1.00 0.00 C ATOM 942 C SER A 60 -7.934 29.401 -20.534 1.00 0.00 C ATOM 943 O SER A 60 -7.771 30.081 -21.544 1.00 0.00 O ATOM 944 CB SER A 60 -7.979 31.599 -19.209 1.00 0.00 C ATOM 945 OG SER A 60 -6.656 32.075 -19.358 1.00 0.00 O ATOM 0 H SER A 60 -7.387 29.335 -17.313 1.00 0.00 H new ATOM 0 HA SER A 60 -9.020 29.794 -18.768 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.587 31.953 -20.041 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.413 32.012 -18.298 1.00 0.00 H new ATOM 0 HG SER A 60 -6.211 31.584 -20.080 1.00 0.00 H new ATOM 951 N GLY A 61 -8.011 28.068 -20.576 1.00 0.00 N ATOM 952 CA GLY A 61 -7.953 27.311 -21.822 1.00 0.00 C ATOM 953 C GLY A 61 -6.523 26.970 -22.257 1.00 0.00 C ATOM 954 O GLY A 61 -6.343 26.153 -23.165 1.00 0.00 O ATOM 0 H GLY A 61 -8.115 27.486 -19.745 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.520 26.387 -21.705 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.438 27.885 -22.611 1.00 0.00 H new ATOM 958 N THR A 62 -5.511 27.559 -21.613 1.00 0.00 N ATOM 959 CA THR A 62 -4.120 27.167 -21.779 1.00 0.00 C ATOM 960 C THR A 62 -3.611 26.582 -20.459 1.00 0.00 C ATOM 961 O THR A 62 -4.310 26.652 -19.450 1.00 0.00 O ATOM 962 CB THR A 62 -3.277 28.372 -22.230 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.057 29.257 -21.151 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.924 29.173 -23.366 1.00 0.00 C ATOM 0 H THR A 62 -5.642 28.329 -20.957 1.00 0.00 H new ATOM 0 HA THR A 62 -4.034 26.406 -22.554 1.00 0.00 H new ATOM 0 HB THR A 62 -2.340 27.951 -22.594 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.868 29.313 -20.603 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.278 30.008 -23.636 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.063 28.527 -24.233 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.891 29.554 -23.038 1.00 0.00 H new ATOM 972 N ILE A 63 -2.407 26.012 -20.459 1.00 0.00 N ATOM 973 CA ILE A 63 -1.684 25.603 -19.266 1.00 0.00 C ATOM 974 C ILE A 63 -0.473 26.531 -19.159 1.00 0.00 C ATOM 975 O ILE A 63 0.385 26.535 -20.044 1.00 0.00 O ATOM 976 CB ILE A 63 -1.264 24.124 -19.363 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.426 23.177 -19.709 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.576 23.663 -18.072 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.584 23.185 -18.706 1.00 0.00 C ATOM 0 H ILE A 63 -1.895 25.818 -21.320 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.306 25.682 -18.374 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.558 24.070 -20.192 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.814 23.445 -20.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.038 22.161 -19.786 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.289 22.616 -18.166 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.314 24.268 -17.898 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.263 23.777 -17.233 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.354 22.487 -19.034 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.217 22.885 -17.724 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.005 24.188 -18.645 1.00 0.00 H new ATOM 991 N ASP A 64 -0.418 27.335 -18.095 1.00 0.00 N ATOM 992 CA ASP A 64 0.723 28.188 -17.792 1.00 0.00 C ATOM 993 C ASP A 64 1.906 27.329 -17.338 1.00 0.00 C ATOM 994 O ASP A 64 1.712 26.218 -16.843 1.00 0.00 O ATOM 995 CB ASP A 64 0.323 29.201 -16.709 1.00 0.00 C ATOM 996 CG ASP A 64 1.471 30.145 -16.371 1.00 0.00 C ATOM 997 OD1 ASP A 64 1.615 31.150 -17.099 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.222 29.812 -15.427 1.00 0.00 O ATOM 0 H ASP A 64 -1.175 27.410 -17.415 1.00 0.00 H new ATOM 0 HA ASP A 64 1.028 28.736 -18.684 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.536 29.779 -17.050 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.012 28.669 -15.810 1.00 0.00 H new ATOM 1003 N PHE A 65 3.136 27.837 -17.475 1.00 0.00 N ATOM 1004 CA PHE A 65 4.324 27.123 -17.018 1.00 0.00 C ATOM 1005 C PHE A 65 4.191 26.677 -15.563 1.00 0.00 C ATOM 1006 O PHE A 65 4.519 25.539 -15.249 1.00 0.00 O ATOM 1007 CB PHE A 65 5.590 27.962 -17.221 1.00 0.00 C ATOM 1008 CG PHE A 65 6.851 27.266 -16.740 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.311 26.108 -17.396 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.559 27.762 -15.627 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.490 25.472 -16.969 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.751 27.140 -15.216 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.221 25.999 -15.891 1.00 0.00 C ATOM 0 H PHE A 65 3.330 28.743 -17.901 1.00 0.00 H new ATOM 0 HA PHE A 65 4.414 26.225 -17.629 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.695 28.200 -18.280 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.480 28.908 -16.691 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.756 25.707 -18.231 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.186 28.621 -15.089 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.834 24.579 -17.469 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.307 27.539 -14.380 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.142 25.529 -15.581 1.00 0.00 H new ATOM 1023 N GLU A 66 3.684 27.541 -14.678 1.00 0.00 N ATOM 1024 CA GLU A 66 3.483 27.186 -13.280 1.00 0.00 C ATOM 1025 C GLU A 66 2.571 25.958 -13.159 1.00 0.00 C ATOM 1026 O GLU A 66 2.872 25.022 -12.422 1.00 0.00 O ATOM 1027 CB GLU A 66 2.912 28.385 -12.508 1.00 0.00 C ATOM 1028 CG GLU A 66 3.890 29.569 -12.495 1.00 0.00 C ATOM 1029 CD GLU A 66 3.339 30.745 -11.693 1.00 0.00 C ATOM 1030 OE1 GLU A 66 2.337 31.329 -12.159 1.00 0.00 O ATOM 1031 OE2 GLU A 66 3.926 31.035 -10.628 1.00 0.00 O ATOM 0 H GLU A 66 3.406 28.494 -14.912 1.00 0.00 H new ATOM 0 HA GLU A 66 4.446 26.926 -12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.971 28.695 -12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.689 28.086 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.841 29.251 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.090 29.888 -13.518 1.00 0.00 H new ATOM 1038 N GLU A 67 1.458 25.952 -13.896 1.00 0.00 N ATOM 1039 CA GLU A 67 0.511 24.847 -13.883 1.00 0.00 C ATOM 1040 C GLU A 67 1.182 23.570 -14.411 1.00 0.00 C ATOM 1041 O GLU A 67 1.084 22.512 -13.790 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.736 25.225 -14.695 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.507 26.396 -14.062 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.674 26.858 -14.933 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.421 27.080 -16.138 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.791 26.995 -14.387 1.00 0.00 O ATOM 0 H GLU A 67 1.192 26.716 -14.517 1.00 0.00 H new ATOM 0 HA GLU A 67 0.192 24.645 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.440 25.493 -15.709 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.393 24.359 -14.773 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.883 26.095 -13.084 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.826 27.231 -13.898 1.00 0.00 H new ATOM 1053 N PHE A 68 1.885 23.671 -15.543 1.00 0.00 N ATOM 1054 CA PHE A 68 2.603 22.544 -16.132 1.00 0.00 C ATOM 1055 C PHE A 68 3.606 21.966 -15.124 1.00 0.00 C ATOM 1056 O PHE A 68 3.605 20.774 -14.823 1.00 0.00 O ATOM 1057 CB PHE A 68 3.290 23.016 -17.419 1.00 0.00 C ATOM 1058 CG PHE A 68 3.886 21.908 -18.263 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.047 21.099 -19.051 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.283 21.776 -18.367 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.603 20.187 -19.966 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.837 20.866 -19.283 1.00 0.00 C ATOM 1063 CZ PHE A 68 4.998 20.076 -20.085 1.00 0.00 C ATOM 0 H PHE A 68 1.970 24.537 -16.074 1.00 0.00 H new ATOM 0 HA PHE A 68 1.908 21.743 -16.383 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.565 23.563 -18.022 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.081 23.719 -17.156 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.974 21.178 -18.953 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.930 22.374 -17.742 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.958 19.573 -20.577 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.910 20.774 -19.370 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.426 19.382 -20.794 1.00 0.00 H new ATOM 1073 N LEU A 69 4.441 22.839 -14.558 1.00 0.00 N ATOM 1074 CA LEU A 69 5.381 22.497 -13.508 1.00 0.00 C ATOM 1075 C LEU A 69 4.652 21.797 -12.359 1.00 0.00 C ATOM 1076 O LEU A 69 5.113 20.762 -11.888 1.00 0.00 O ATOM 1077 CB LEU A 69 6.120 23.765 -13.052 1.00 0.00 C ATOM 1078 CG LEU A 69 7.137 23.531 -11.922 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.238 22.547 -12.334 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.775 24.871 -11.540 1.00 0.00 C ATOM 0 H LEU A 69 4.478 23.822 -14.828 1.00 0.00 H new ATOM 0 HA LEU A 69 6.128 21.797 -13.883 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.638 24.197 -13.908 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.387 24.499 -12.719 1.00 0.00 H new ATOM 0 HG LEU A 69 6.605 23.099 -11.074 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.934 22.412 -11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.790 21.587 -12.592 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.774 22.941 -13.197 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.498 24.715 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.281 25.294 -12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.001 25.559 -11.201 1.00 0.00 H new ATOM 1092 N THR A 70 3.508 22.328 -11.917 1.00 0.00 N ATOM 1093 CA THR A 70 2.715 21.700 -10.866 1.00 0.00 C ATOM 1094 C THR A 70 2.300 20.276 -11.260 1.00 0.00 C ATOM 1095 O THR A 70 2.478 19.357 -10.463 1.00 0.00 O ATOM 1096 CB THR A 70 1.514 22.575 -10.477 1.00 0.00 C ATOM 1097 OG1 THR A 70 1.967 23.856 -10.096 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.754 21.987 -9.284 1.00 0.00 C ATOM 0 H THR A 70 3.112 23.197 -12.276 1.00 0.00 H new ATOM 0 HA THR A 70 3.340 21.611 -9.977 1.00 0.00 H new ATOM 0 HB THR A 70 0.854 22.625 -11.343 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.173 24.382 -10.897 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.089 22.632 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.388 20.993 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.422 21.917 -8.426 1.00 0.00 H new ATOM 1106 N MET A 71 1.775 20.072 -12.476 1.00 0.00 N ATOM 1107 CA MET A 71 1.436 18.734 -12.957 1.00 0.00 C ATOM 1108 C MET A 71 2.650 17.811 -12.823 1.00 0.00 C ATOM 1109 O MET A 71 2.558 16.709 -12.279 1.00 0.00 O ATOM 1110 CB MET A 71 0.987 18.754 -14.426 1.00 0.00 C ATOM 1111 CG MET A 71 -0.335 19.482 -14.678 1.00 0.00 C ATOM 1112 SD MET A 71 -0.679 19.814 -16.428 1.00 0.00 S ATOM 1113 CE MET A 71 -0.605 18.145 -17.117 1.00 0.00 C ATOM 0 H MET A 71 1.577 20.819 -13.141 1.00 0.00 H new ATOM 0 HA MET A 71 0.610 18.367 -12.348 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.766 19.226 -15.024 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.894 17.727 -14.778 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.149 18.886 -14.266 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.326 20.427 -14.135 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.935 18.165 -18.156 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.420 17.777 -17.069 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.255 17.485 -16.543 1.00 0.00 H new ATOM 1123 N MET A 72 3.793 18.255 -13.343 1.00 0.00 N ATOM 1124 CA MET A 72 5.015 17.469 -13.290 1.00 0.00 C ATOM 1125 C MET A 72 5.422 17.190 -11.839 1.00 0.00 C ATOM 1126 O MET A 72 5.810 16.072 -11.520 1.00 0.00 O ATOM 1127 CB MET A 72 6.124 18.150 -14.097 1.00 0.00 C ATOM 1128 CG MET A 72 6.039 17.769 -15.582 1.00 0.00 C ATOM 1129 SD MET A 72 4.504 18.161 -16.461 1.00 0.00 S ATOM 1130 CE MET A 72 4.851 17.359 -18.040 1.00 0.00 C ATOM 0 H MET A 72 3.894 19.158 -13.806 1.00 0.00 H new ATOM 0 HA MET A 72 4.835 16.499 -13.753 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.044 19.232 -13.991 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.097 17.862 -13.699 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.860 18.262 -16.103 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.208 16.695 -15.664 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.020 17.530 -18.725 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.764 17.775 -18.466 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.978 16.288 -17.884 1.00 0.00 H new ATOM 1140 N THR A 73 5.302 18.180 -10.953 1.00 0.00 N ATOM 1141 CA THR A 73 5.603 18.024 -9.536 1.00 0.00 C ATOM 1142 C THR A 73 4.689 16.961 -8.921 1.00 0.00 C ATOM 1143 O THR A 73 5.147 16.103 -8.174 1.00 0.00 O ATOM 1144 CB THR A 73 5.490 19.370 -8.802 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.282 20.349 -9.441 1.00 0.00 O ATOM 1146 CG2 THR A 73 5.995 19.265 -7.362 1.00 0.00 C ATOM 0 H THR A 73 4.991 19.118 -11.204 1.00 0.00 H new ATOM 0 HA THR A 73 6.633 17.685 -9.426 1.00 0.00 H new ATOM 0 HB THR A 73 4.435 19.644 -8.815 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.830 20.656 -10.254 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.901 20.234 -6.872 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.403 18.526 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.041 18.960 -7.365 1.00 0.00 H new ATOM 1154 N ALA A 74 3.393 17.008 -9.242 1.00 0.00 N ATOM 1155 CA ALA A 74 2.433 16.021 -8.768 1.00 0.00 C ATOM 1156 C ALA A 74 2.832 14.619 -9.232 1.00 0.00 C ATOM 1157 O ALA A 74 2.779 13.675 -8.449 1.00 0.00 O ATOM 1158 CB ALA A 74 1.022 16.392 -9.234 1.00 0.00 C ATOM 0 H ALA A 74 2.986 17.731 -9.836 1.00 0.00 H new ATOM 0 HA ALA A 74 2.434 16.017 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.312 15.647 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.753 17.371 -8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.995 16.422 -10.323 1.00 0.00 H new ATOM 1164 N LYS A 75 3.230 14.477 -10.500 1.00 0.00 N ATOM 1165 CA LYS A 75 3.700 13.196 -11.017 1.00 0.00 C ATOM 1166 C LYS A 75 5.010 12.752 -10.351 1.00 0.00 C ATOM 1167 O LYS A 75 5.165 11.569 -10.052 1.00 0.00 O ATOM 1168 CB LYS A 75 3.829 13.248 -12.544 1.00 0.00 C ATOM 1169 CG LYS A 75 2.447 13.327 -13.209 1.00 0.00 C ATOM 1170 CD LYS A 75 2.517 13.154 -14.735 1.00 0.00 C ATOM 1171 CE LYS A 75 3.278 14.280 -15.446 1.00 0.00 C ATOM 1172 NZ LYS A 75 2.660 15.592 -15.197 1.00 0.00 N ATOM 0 H LYS A 75 3.235 15.234 -11.183 1.00 0.00 H new ATOM 0 HA LYS A 75 2.954 12.442 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.426 14.113 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.357 12.363 -12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.801 12.557 -12.789 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.990 14.289 -12.976 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.997 12.202 -14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.504 13.104 -15.133 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.313 14.294 -15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.300 14.085 -16.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.219 16.334 -15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.692 15.597 -15.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.631 15.774 -14.173 1.00 0.00 H new ATOM 1186 N MET A 76 5.964 13.669 -10.151 1.00 0.00 N ATOM 1187 CA MET A 76 7.270 13.382 -9.566 1.00 0.00 C ATOM 1188 C MET A 76 7.671 14.477 -8.573 1.00 0.00 C ATOM 1189 O MET A 76 7.983 15.592 -9.045 1.00 0.00 O ATOM 1190 CB MET A 76 8.325 13.259 -10.675 1.00 0.00 C ATOM 1191 CG MET A 76 8.041 12.091 -11.627 1.00 0.00 C ATOM 1192 SD MET A 76 9.394 11.674 -12.757 1.00 0.00 S ATOM 1193 CE MET A 76 9.583 13.230 -13.656 1.00 0.00 C ATOM 1194 OXT MET A 76 7.716 14.167 -7.363 1.00 0.00 O ATOM 0 H MET A 76 5.842 14.651 -10.398 1.00 0.00 H new ATOM 0 HA MET A 76 7.209 12.437 -9.026 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.359 14.188 -11.244 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.308 13.125 -10.224 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.799 11.209 -11.033 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.156 12.330 -12.217 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.320 13.105 -14.450 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.626 13.517 -14.091 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.918 14.008 -12.970 1.00 0.00 H new TER 1204 MET A 76