USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 19 GLN : amide:sc= -6.16 K(o=-7.6,f=-11!) USER MOD Set 1.2: A 35 THR OG1 : rot 139:sc= -1.46 USER MOD Single : A 6 TYR OH : rot 165:sc= -0.0376 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0303 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0262 K(o=-0.026,f=-0.7) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 15 SER OG : rot 40:sc= -0.212 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -6.96! (180deg=-8.59!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00445 X(o=-0.0044,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 142:sc= -0.181 (180deg=-0.443) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -162:sc= -0.0289 (180deg=-0.69) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -1.66 (180deg=-2.85!) USER MOD Single : A 86 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.958 11.783 5.348 1.00 0.00 N ATOM 19 CA ARG A 2 -4.896 10.821 6.008 1.00 0.00 C ATOM 20 C ARG A 2 -4.305 9.411 5.944 1.00 0.00 C ATOM 21 O ARG A 2 -3.442 9.127 5.136 1.00 0.00 O ATOM 22 CB ARG A 2 -6.266 10.825 5.303 1.00 0.00 C ATOM 23 CG ARG A 2 -6.631 12.236 4.823 1.00 0.00 C ATOM 24 CD ARG A 2 -8.138 12.316 4.562 1.00 0.00 C ATOM 25 NE ARG A 2 -8.388 13.134 3.333 1.00 0.00 N ATOM 26 CZ ARG A 2 -8.144 14.429 3.308 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.670 15.061 4.359 1.00 0.00 N ATOM 28 NH2 ARG A 2 -8.379 15.100 2.214 1.00 0.00 N ATOM 0 HA ARG A 2 -5.032 11.126 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.244 10.142 4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.032 10.460 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.342 12.972 5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.081 12.475 3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.550 11.315 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.643 12.763 5.418 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.755 12.679 2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.482 14.548 5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.490 16.064 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.747 14.622 1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.195 16.103 2.181 1.00 0.00 H new ATOM 42 N LEU A 3 -4.770 8.529 6.793 1.00 0.00 N ATOM 43 CA LEU A 3 -4.246 7.132 6.792 1.00 0.00 C ATOM 44 C LEU A 3 -5.243 6.220 6.075 1.00 0.00 C ATOM 45 O LEU A 3 -6.072 5.580 6.695 1.00 0.00 O ATOM 46 CB LEU A 3 -4.060 6.657 8.234 1.00 0.00 C ATOM 47 CG LEU A 3 -3.145 7.633 8.977 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.986 8.748 9.601 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.391 6.887 10.080 1.00 0.00 C ATOM 0 H LEU A 3 -5.492 8.718 7.488 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.287 7.100 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.026 6.594 8.735 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.629 5.656 8.246 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.431 8.065 8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.334 9.443 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.524 9.281 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.701 8.316 10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.739 7.582 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.105 6.454 10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.791 6.092 9.637 1.00 0.00 H new ATOM 61 N PHE A 4 -5.166 6.160 4.769 1.00 0.00 N ATOM 62 CA PHE A 4 -6.104 5.297 3.993 1.00 0.00 C ATOM 63 C PHE A 4 -5.580 3.858 3.977 1.00 0.00 C ATOM 64 O PHE A 4 -4.393 3.626 3.849 1.00 0.00 O ATOM 65 CB PHE A 4 -6.203 5.816 2.557 1.00 0.00 C ATOM 66 CG PHE A 4 -7.143 6.997 2.508 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.527 6.787 2.474 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.632 8.300 2.497 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.400 7.881 2.428 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.506 9.394 2.452 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.889 9.184 2.417 1.00 0.00 C ATOM 0 H PHE A 4 -4.490 6.675 4.206 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.089 5.321 4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.217 6.108 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.562 5.025 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.921 5.782 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.565 8.462 2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.467 7.719 2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.112 10.400 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.562 10.028 2.381 1.00 0.00 H new ATOM 81 N GLY A 5 -6.456 2.892 4.110 1.00 0.00 N ATOM 82 CA GLY A 5 -6.013 1.467 4.104 1.00 0.00 C ATOM 83 C GLY A 5 -6.896 0.647 3.158 1.00 0.00 C ATOM 84 O GLY A 5 -8.109 0.709 3.216 1.00 0.00 O ATOM 0 H GLY A 5 -7.460 3.031 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.971 1.403 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.067 1.057 5.112 1.00 0.00 H new ATOM 88 N TYR A 6 -6.288 -0.127 2.296 1.00 0.00 N ATOM 89 CA TYR A 6 -7.071 -0.970 1.343 1.00 0.00 C ATOM 90 C TYR A 6 -7.259 -2.360 1.959 1.00 0.00 C ATOM 91 O TYR A 6 -6.441 -2.812 2.738 1.00 0.00 O ATOM 92 CB TYR A 6 -6.298 -1.074 0.021 1.00 0.00 C ATOM 93 CG TYR A 6 -7.050 -1.941 -0.965 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.379 -1.645 -1.292 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.414 -3.043 -1.546 1.00 0.00 C ATOM 96 CE1 TYR A 6 -9.070 -2.454 -2.204 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.105 -3.851 -2.457 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.432 -3.556 -2.786 1.00 0.00 C ATOM 99 OH TYR A 6 -9.114 -4.353 -3.684 1.00 0.00 O ATOM 0 H TYR A 6 -5.275 -0.212 2.211 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.048 -0.527 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.149 -0.079 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.309 -1.494 0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.870 -0.795 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.389 -3.271 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.095 -2.227 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.614 -4.702 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.477 -4.917 -4.170 1.00 0.00 H new ATOM 109 N ALA A 7 -8.333 -3.035 1.628 1.00 0.00 N ATOM 110 CA ALA A 7 -8.571 -4.388 2.211 1.00 0.00 C ATOM 111 C ALA A 7 -9.435 -5.235 1.269 1.00 0.00 C ATOM 112 O ALA A 7 -10.649 -5.186 1.324 1.00 0.00 O ATOM 113 CB ALA A 7 -9.289 -4.231 3.553 1.00 0.00 C ATOM 0 H ALA A 7 -9.051 -2.707 0.982 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.613 -4.889 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.468 -5.215 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.670 -3.642 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.242 -3.724 3.399 1.00 0.00 H new ATOM 119 N ARG A 8 -8.821 -6.031 0.427 1.00 0.00 N ATOM 120 CA ARG A 8 -9.607 -6.906 -0.496 1.00 0.00 C ATOM 121 C ARG A 8 -9.787 -8.268 0.179 1.00 0.00 C ATOM 122 O ARG A 8 -8.832 -8.992 0.391 1.00 0.00 O ATOM 123 CB ARG A 8 -8.863 -7.078 -1.824 1.00 0.00 C ATOM 124 CG ARG A 8 -9.875 -7.235 -2.966 1.00 0.00 C ATOM 125 CD ARG A 8 -10.332 -8.691 -3.052 1.00 0.00 C ATOM 126 NE ARG A 8 -9.254 -9.513 -3.686 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.324 -10.829 -3.723 1.00 0.00 C ATOM 128 NH1 ARG A 8 -10.339 -11.479 -3.200 1.00 0.00 N ATOM 129 NH2 ARG A 8 -8.361 -11.501 -4.291 1.00 0.00 N ATOM 0 H ARG A 8 -7.808 -6.112 0.340 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.577 -6.454 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.223 -6.215 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.214 -7.952 -1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.733 -6.584 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.423 -6.929 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.557 -9.072 -2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.250 -8.762 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.447 -9.045 -4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.097 -10.965 -2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.369 -12.498 -3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.567 -11.008 -4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.402 -12.520 -4.327 1.00 0.00 H new ATOM 143 N VAL A 9 -10.998 -8.610 0.541 1.00 0.00 N ATOM 144 CA VAL A 9 -11.245 -9.909 1.238 1.00 0.00 C ATOM 145 C VAL A 9 -10.774 -11.083 0.377 1.00 0.00 C ATOM 146 O VAL A 9 -10.188 -10.909 -0.674 1.00 0.00 O ATOM 147 CB VAL A 9 -12.740 -10.062 1.529 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.192 -8.955 2.481 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.528 -9.969 0.222 1.00 0.00 C ATOM 0 H VAL A 9 -11.830 -8.042 0.383 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.684 -9.911 2.173 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.921 -11.032 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.257 -9.065 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.632 -9.026 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.010 -7.983 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.592 -10.078 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.347 -9.000 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.207 -10.762 -0.453 1.00 0.00 H new ATOM 159 N SER A 10 -11.036 -12.278 0.833 1.00 0.00 N ATOM 160 CA SER A 10 -10.624 -13.492 0.077 1.00 0.00 C ATOM 161 C SER A 10 -11.379 -14.701 0.634 1.00 0.00 C ATOM 162 O SER A 10 -11.852 -15.542 -0.106 1.00 0.00 O ATOM 163 CB SER A 10 -9.118 -13.709 0.237 1.00 0.00 C ATOM 164 OG SER A 10 -8.638 -14.484 -0.853 1.00 0.00 O ATOM 0 H SER A 10 -11.524 -12.465 1.709 1.00 0.00 H new ATOM 0 HA SER A 10 -10.856 -13.366 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.602 -12.749 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.910 -14.217 1.179 1.00 0.00 H new ATOM 0 HG SER A 10 -7.673 -14.624 -0.755 1.00 0.00 H new ATOM 170 N THR A 11 -11.496 -14.788 1.938 1.00 0.00 N ATOM 171 CA THR A 11 -12.220 -15.937 2.554 1.00 0.00 C ATOM 172 C THR A 11 -13.714 -15.610 2.668 1.00 0.00 C ATOM 173 O THR A 11 -14.112 -14.462 2.616 1.00 0.00 O ATOM 174 CB THR A 11 -11.640 -16.224 3.950 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.295 -17.357 4.504 1.00 0.00 O ATOM 176 CG2 THR A 11 -11.845 -15.015 4.876 1.00 0.00 C ATOM 0 H THR A 11 -11.119 -14.110 2.600 1.00 0.00 H new ATOM 0 HA THR A 11 -12.096 -16.819 1.925 1.00 0.00 H new ATOM 0 HB THR A 11 -10.571 -16.418 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.928 -17.545 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.429 -15.235 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.341 -14.145 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.911 -14.806 4.971 1.00 0.00 H new ATOM 184 N SER A 12 -14.536 -16.615 2.829 1.00 0.00 N ATOM 185 CA SER A 12 -16.004 -16.378 2.957 1.00 0.00 C ATOM 186 C SER A 12 -16.330 -15.987 4.402 1.00 0.00 C ATOM 187 O SER A 12 -17.290 -15.285 4.660 1.00 0.00 O ATOM 188 CB SER A 12 -16.761 -17.654 2.590 1.00 0.00 C ATOM 189 OG SER A 12 -17.050 -17.646 1.199 1.00 0.00 O ATOM 0 H SER A 12 -14.252 -17.593 2.877 1.00 0.00 H new ATOM 0 HA SER A 12 -16.304 -15.574 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.164 -18.530 2.844 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.685 -17.720 3.165 1.00 0.00 H new ATOM 0 HG SER A 12 -17.534 -18.464 0.961 1.00 0.00 H new ATOM 195 N GLN A 13 -15.536 -16.437 5.342 1.00 0.00 N ATOM 196 CA GLN A 13 -15.787 -16.098 6.774 1.00 0.00 C ATOM 197 C GLN A 13 -15.676 -14.578 6.964 1.00 0.00 C ATOM 198 O GLN A 13 -15.815 -13.822 6.023 1.00 0.00 O ATOM 199 CB GLN A 13 -14.750 -16.815 7.648 1.00 0.00 C ATOM 200 CG GLN A 13 -15.419 -17.323 8.928 1.00 0.00 C ATOM 201 CD GLN A 13 -14.350 -17.629 9.978 1.00 0.00 C ATOM 202 OE1 GLN A 13 -13.440 -16.849 10.180 1.00 0.00 O ATOM 203 NE2 GLN A 13 -14.420 -18.741 10.659 1.00 0.00 N ATOM 0 H GLN A 13 -14.721 -17.028 5.176 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.787 -16.420 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.312 -17.649 7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.936 -16.134 7.897 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.114 -16.575 9.309 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.001 -18.219 8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.184 -19.396 10.490 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.711 -18.955 11.360 1.00 0.00 H new ATOM 212 N GLN A 14 -15.437 -14.130 8.173 1.00 0.00 N ATOM 213 CA GLN A 14 -15.323 -12.660 8.429 1.00 0.00 C ATOM 214 C GLN A 14 -14.024 -12.119 7.824 1.00 0.00 C ATOM 215 O GLN A 14 -13.146 -11.651 8.527 1.00 0.00 O ATOM 216 CB GLN A 14 -15.337 -12.406 9.939 1.00 0.00 C ATOM 217 CG GLN A 14 -14.278 -13.276 10.621 1.00 0.00 C ATOM 218 CD GLN A 14 -13.916 -12.673 11.980 1.00 0.00 C ATOM 219 OE1 GLN A 14 -14.778 -12.214 12.702 1.00 0.00 O ATOM 220 NE2 GLN A 14 -12.668 -12.655 12.361 1.00 0.00 N ATOM 0 H GLN A 14 -15.316 -14.721 8.995 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.166 -12.148 7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.141 -11.353 10.142 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.323 -12.631 10.346 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.655 -14.291 10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.389 -13.344 9.994 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.944 -13.041 11.755 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.417 -12.255 13.265 1.00 0.00 H new ATOM 229 N SER A 15 -13.901 -12.171 6.523 1.00 0.00 N ATOM 230 CA SER A 15 -12.669 -11.660 5.860 1.00 0.00 C ATOM 231 C SER A 15 -12.531 -10.158 6.114 1.00 0.00 C ATOM 232 O SER A 15 -11.569 -9.710 6.700 1.00 0.00 O ATOM 233 CB SER A 15 -12.757 -11.913 4.357 1.00 0.00 C ATOM 234 OG SER A 15 -11.488 -11.676 3.764 1.00 0.00 O ATOM 0 H SER A 15 -14.606 -12.548 5.890 1.00 0.00 H new ATOM 0 HA SER A 15 -11.801 -12.177 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.073 -12.939 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.507 -11.260 3.910 1.00 0.00 H new ATOM 0 HG SER A 15 -10.783 -12.023 4.350 1.00 0.00 H new ATOM 240 N LEU A 16 -13.494 -9.385 5.669 1.00 0.00 N ATOM 241 CA LEU A 16 -13.456 -7.894 5.854 1.00 0.00 C ATOM 242 C LEU A 16 -13.067 -7.523 7.299 1.00 0.00 C ATOM 243 O LEU A 16 -12.328 -6.582 7.523 1.00 0.00 O ATOM 244 CB LEU A 16 -14.851 -7.329 5.507 1.00 0.00 C ATOM 245 CG LEU A 16 -14.976 -5.857 5.936 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.695 -5.061 4.847 1.00 0.00 C ATOM 247 CD2 LEU A 16 -15.780 -5.768 7.238 1.00 0.00 C ATOM 0 H LEU A 16 -14.319 -9.728 5.177 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.701 -7.464 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.024 -7.414 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.620 -7.922 6.002 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.979 -5.444 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.781 -4.019 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.127 -5.119 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.690 -5.477 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.868 -4.725 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.775 -6.185 7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.270 -6.331 8.020 1.00 0.00 H new ATOM 259 N ASP A 17 -13.562 -8.245 8.266 1.00 0.00 N ATOM 260 CA ASP A 17 -13.228 -7.926 9.684 1.00 0.00 C ATOM 261 C ASP A 17 -11.733 -8.150 9.924 1.00 0.00 C ATOM 262 O ASP A 17 -11.070 -7.349 10.561 1.00 0.00 O ATOM 263 CB ASP A 17 -14.039 -8.837 10.608 1.00 0.00 C ATOM 264 CG ASP A 17 -14.436 -8.068 11.870 1.00 0.00 C ATOM 265 OD1 ASP A 17 -13.550 -7.726 12.635 1.00 0.00 O ATOM 266 OD2 ASP A 17 -15.620 -7.833 12.049 1.00 0.00 O ATOM 0 H ASP A 17 -14.184 -9.043 8.136 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.471 -6.884 9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.930 -9.194 10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.452 -9.716 10.875 1.00 0.00 H new ATOM 271 N ILE A 18 -11.205 -9.234 9.423 1.00 0.00 N ATOM 272 CA ILE A 18 -9.756 -9.532 9.620 1.00 0.00 C ATOM 273 C ILE A 18 -8.905 -8.485 8.889 1.00 0.00 C ATOM 274 O ILE A 18 -7.795 -8.195 9.292 1.00 0.00 O ATOM 275 CB ILE A 18 -9.443 -10.926 9.068 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.365 -11.959 9.730 1.00 0.00 C ATOM 277 CG2 ILE A 18 -7.986 -11.285 9.368 1.00 0.00 C ATOM 278 CD1 ILE A 18 -10.733 -13.043 8.714 1.00 0.00 C ATOM 0 H ILE A 18 -11.718 -9.930 8.882 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.523 -9.501 10.684 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.603 -10.929 7.990 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.868 -12.407 10.591 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.267 -11.472 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.767 -12.277 8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.327 -10.555 8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.824 -11.279 10.446 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.388 -13.776 9.185 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.247 -12.588 7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.826 -13.538 8.365 1.00 0.00 H new ATOM 290 N GLN A 19 -9.414 -7.920 7.820 1.00 0.00 N ATOM 291 CA GLN A 19 -8.621 -6.894 7.068 1.00 0.00 C ATOM 292 C GLN A 19 -8.613 -5.584 7.851 1.00 0.00 C ATOM 293 O GLN A 19 -7.570 -5.042 8.153 1.00 0.00 O ATOM 294 CB GLN A 19 -9.228 -6.617 5.684 1.00 0.00 C ATOM 295 CG GLN A 19 -9.822 -7.889 5.078 1.00 0.00 C ATOM 296 CD GLN A 19 -9.948 -7.712 3.569 1.00 0.00 C ATOM 297 OE1 GLN A 19 -9.111 -8.172 2.818 1.00 0.00 O ATOM 298 NE2 GLN A 19 -10.970 -7.054 3.090 1.00 0.00 N ATOM 0 H GLN A 19 -10.338 -8.122 7.437 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.611 -7.283 6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.003 -5.855 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.461 -6.218 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.187 -8.745 5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.799 -8.093 5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.671 -6.669 3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.067 -6.925 2.083 1.00 0.00 H new ATOM 307 N VAL A 20 -9.778 -5.070 8.174 1.00 0.00 N ATOM 308 CA VAL A 20 -9.871 -3.777 8.932 1.00 0.00 C ATOM 309 C VAL A 20 -8.936 -3.803 10.149 1.00 0.00 C ATOM 310 O VAL A 20 -8.015 -3.017 10.241 1.00 0.00 O ATOM 311 CB VAL A 20 -11.323 -3.569 9.389 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.451 -2.248 10.153 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.243 -3.535 8.163 1.00 0.00 C ATOM 0 H VAL A 20 -10.676 -5.494 7.943 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.568 -2.955 8.284 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.610 -4.391 10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.484 -2.111 10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.801 -2.269 11.028 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.159 -1.422 9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.274 -3.388 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.947 -2.715 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.164 -4.478 7.622 1.00 0.00 H new ATOM 323 N ARG A 21 -9.149 -4.715 11.067 1.00 0.00 N ATOM 324 CA ARG A 21 -8.258 -4.805 12.271 1.00 0.00 C ATOM 325 C ARG A 21 -6.791 -4.870 11.827 1.00 0.00 C ATOM 326 O ARG A 21 -5.901 -4.431 12.529 1.00 0.00 O ATOM 327 CB ARG A 21 -8.607 -6.064 13.064 1.00 0.00 C ATOM 328 CG ARG A 21 -8.562 -7.285 12.135 1.00 0.00 C ATOM 329 CD ARG A 21 -7.318 -8.128 12.434 1.00 0.00 C ATOM 330 NE ARG A 21 -7.734 -9.460 12.970 1.00 0.00 N ATOM 331 CZ ARG A 21 -6.851 -10.406 13.227 1.00 0.00 C ATOM 332 NH1 ARG A 21 -5.568 -10.221 13.024 1.00 0.00 N ATOM 333 NH2 ARG A 21 -7.264 -11.553 13.695 1.00 0.00 N ATOM 0 H ARG A 21 -9.902 -5.403 11.036 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.404 -3.925 12.897 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.904 -6.194 13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.599 -5.966 13.504 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.460 -7.888 12.270 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.549 -6.960 11.095 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.727 -8.258 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.684 -7.615 13.157 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.723 -9.642 13.141 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.233 -9.329 12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.906 -10.969 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.259 -11.709 13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.592 -12.293 13.898 1.00 0.00 H new ATOM 347 N ALA A 22 -6.543 -5.389 10.649 1.00 0.00 N ATOM 348 CA ALA A 22 -5.146 -5.458 10.137 1.00 0.00 C ATOM 349 C ALA A 22 -4.718 -4.049 9.724 1.00 0.00 C ATOM 350 O ALA A 22 -3.573 -3.668 9.870 1.00 0.00 O ATOM 351 CB ALA A 22 -5.088 -6.403 8.929 1.00 0.00 C ATOM 0 H ALA A 22 -7.252 -5.768 10.021 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.476 -5.838 10.908 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.065 -6.453 8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.413 -7.399 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.744 -6.029 8.143 1.00 0.00 H new ATOM 357 N LEU A 23 -5.645 -3.271 9.219 1.00 0.00 N ATOM 358 CA LEU A 23 -5.318 -1.876 8.806 1.00 0.00 C ATOM 359 C LEU A 23 -5.186 -1.007 10.056 1.00 0.00 C ATOM 360 O LEU A 23 -4.290 -0.190 10.164 1.00 0.00 O ATOM 361 CB LEU A 23 -6.439 -1.322 7.917 1.00 0.00 C ATOM 362 CG LEU A 23 -6.672 -2.249 6.721 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.850 -1.733 5.895 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.419 -2.282 5.847 1.00 0.00 C ATOM 0 H LEU A 23 -6.617 -3.546 9.076 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.382 -1.870 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.358 -1.225 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.176 -0.324 7.567 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.892 -3.254 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.015 -2.394 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.746 -1.709 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.630 -0.727 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.586 -2.942 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.199 -1.276 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.577 -2.651 6.432 1.00 0.00 H new ATOM 376 N LYS A 24 -6.072 -1.185 11.006 1.00 0.00 N ATOM 377 CA LYS A 24 -6.005 -0.377 12.263 1.00 0.00 C ATOM 378 C LYS A 24 -4.716 -0.734 13.000 1.00 0.00 C ATOM 379 O LYS A 24 -4.029 0.126 13.518 1.00 0.00 O ATOM 380 CB LYS A 24 -7.224 -0.685 13.150 1.00 0.00 C ATOM 381 CG LYS A 24 -8.146 0.547 13.223 1.00 0.00 C ATOM 382 CD LYS A 24 -9.418 0.337 12.377 1.00 0.00 C ATOM 383 CE LYS A 24 -9.068 -0.101 10.950 1.00 0.00 C ATOM 384 NZ LYS A 24 -8.252 0.951 10.280 1.00 0.00 N ATOM 0 H LYS A 24 -6.839 -1.856 10.965 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.013 0.686 12.024 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.772 -1.536 12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.895 -0.963 14.151 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.422 0.738 14.260 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.611 1.428 12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.050 -0.416 12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.994 1.262 12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.516 -1.041 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.981 -0.282 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.768 0.542 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.872 1.726 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.546 1.320 10.948 1.00 0.00 H new ATOM 398 N ASP A 25 -4.373 -1.995 13.024 1.00 0.00 N ATOM 399 CA ASP A 25 -3.115 -2.421 13.693 1.00 0.00 C ATOM 400 C ASP A 25 -1.939 -1.785 12.954 1.00 0.00 C ATOM 401 O ASP A 25 -0.934 -1.429 13.538 1.00 0.00 O ATOM 402 CB ASP A 25 -2.996 -3.941 13.615 1.00 0.00 C ATOM 403 CG ASP A 25 -2.137 -4.452 14.774 1.00 0.00 C ATOM 404 OD1 ASP A 25 -0.933 -4.538 14.601 1.00 0.00 O ATOM 405 OD2 ASP A 25 -2.699 -4.749 15.815 1.00 0.00 O ATOM 0 H ASP A 25 -4.916 -2.751 12.605 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.117 -2.110 14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.986 -4.395 13.656 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.551 -4.232 12.664 1.00 0.00 H new ATOM 410 N ALA A 26 -2.081 -1.640 11.665 1.00 0.00 N ATOM 411 CA ALA A 26 -1.010 -1.026 10.842 1.00 0.00 C ATOM 412 C ALA A 26 -0.977 0.481 11.093 1.00 0.00 C ATOM 413 O ALA A 26 0.067 1.104 11.045 1.00 0.00 O ATOM 414 CB ALA A 26 -1.325 -1.287 9.370 1.00 0.00 C ATOM 0 H ALA A 26 -2.909 -1.927 11.142 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.042 -1.455 11.103 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.548 -0.843 8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.363 -2.362 9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.289 -0.843 9.120 1.00 0.00 H new ATOM 420 N GLY A 27 -2.117 1.071 11.350 1.00 0.00 N ATOM 421 CA GLY A 27 -2.171 2.541 11.594 1.00 0.00 C ATOM 422 C GLY A 27 -3.118 3.165 10.574 1.00 0.00 C ATOM 423 O GLY A 27 -2.824 4.179 9.970 1.00 0.00 O ATOM 0 H GLY A 27 -3.017 0.593 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.518 2.745 12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.176 2.977 11.504 1.00 0.00 H new ATOM 427 N VAL A 28 -4.251 2.546 10.372 1.00 0.00 N ATOM 428 CA VAL A 28 -5.236 3.066 9.385 1.00 0.00 C ATOM 429 C VAL A 28 -6.502 3.516 10.126 1.00 0.00 C ATOM 430 O VAL A 28 -6.853 2.977 11.158 1.00 0.00 O ATOM 431 CB VAL A 28 -5.562 1.940 8.392 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.630 2.399 7.396 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.294 1.559 7.627 1.00 0.00 C ATOM 0 H VAL A 28 -4.537 1.694 10.855 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.829 3.920 8.844 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.939 1.080 8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.850 1.590 6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.538 2.670 7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.264 3.264 6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.521 0.760 6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.922 2.428 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.534 1.217 8.330 1.00 0.00 H new ATOM 443 N LYS A 29 -7.184 4.504 9.600 1.00 0.00 N ATOM 444 CA LYS A 29 -8.426 5.002 10.262 1.00 0.00 C ATOM 445 C LYS A 29 -9.606 4.107 9.875 1.00 0.00 C ATOM 446 O LYS A 29 -9.737 3.702 8.735 1.00 0.00 O ATOM 447 CB LYS A 29 -8.702 6.438 9.802 1.00 0.00 C ATOM 448 CG LYS A 29 -8.196 7.424 10.859 1.00 0.00 C ATOM 449 CD LYS A 29 -7.930 8.785 10.206 1.00 0.00 C ATOM 450 CE LYS A 29 -8.428 9.902 11.125 1.00 0.00 C ATOM 451 NZ LYS A 29 -8.053 11.225 10.550 1.00 0.00 N ATOM 0 H LYS A 29 -6.932 4.987 8.738 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.297 4.982 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.208 6.626 8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.771 6.580 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.933 7.529 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.283 7.045 11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.864 8.906 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.435 8.842 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.510 9.837 11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.995 9.790 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.392 11.984 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.018 11.285 10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.487 11.331 9.611 1.00 0.00 H new ATOM 465 N ALA A 30 -10.465 3.799 10.817 1.00 0.00 N ATOM 466 CA ALA A 30 -11.641 2.932 10.505 1.00 0.00 C ATOM 467 C ALA A 30 -12.549 3.658 9.514 1.00 0.00 C ATOM 468 O ALA A 30 -13.165 3.048 8.659 1.00 0.00 O ATOM 469 CB ALA A 30 -12.418 2.635 11.788 1.00 0.00 C ATOM 0 H ALA A 30 -10.401 4.111 11.786 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.297 1.993 10.070 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.275 2.002 11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.768 2.121 12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.766 3.570 12.228 1.00 0.00 H new ATOM 475 N ASN A 31 -12.627 4.960 9.617 1.00 0.00 N ATOM 476 CA ASN A 31 -13.478 5.741 8.680 1.00 0.00 C ATOM 477 C ASN A 31 -12.864 5.685 7.273 1.00 0.00 C ATOM 478 O ASN A 31 -13.551 5.854 6.284 1.00 0.00 O ATOM 479 CB ASN A 31 -13.544 7.195 9.165 1.00 0.00 C ATOM 480 CG ASN A 31 -15.000 7.660 9.210 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.399 8.528 8.460 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.815 7.113 10.069 1.00 0.00 N ATOM 0 H ASN A 31 -12.133 5.516 10.315 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.484 5.323 8.647 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.095 7.279 10.155 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.968 7.837 8.498 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.789 7.414 10.111 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.479 6.384 10.698 1.00 0.00 H new ATOM 489 N ARG A 32 -11.577 5.446 7.181 1.00 0.00 N ATOM 490 CA ARG A 32 -10.915 5.376 5.841 1.00 0.00 C ATOM 491 C ARG A 32 -10.519 3.922 5.559 1.00 0.00 C ATOM 492 O ARG A 32 -9.360 3.609 5.349 1.00 0.00 O ATOM 493 CB ARG A 32 -9.658 6.270 5.809 1.00 0.00 C ATOM 494 CG ARG A 32 -9.876 7.547 6.632 1.00 0.00 C ATOM 495 CD ARG A 32 -8.817 8.585 6.258 1.00 0.00 C ATOM 496 NE ARG A 32 -9.315 9.952 6.608 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.331 10.497 5.969 1.00 0.00 C ATOM 498 NH1 ARG A 32 -10.949 9.869 4.995 1.00 0.00 N ATOM 499 NH2 ARG A 32 -10.732 11.690 6.312 1.00 0.00 N ATOM 0 H ARG A 32 -10.957 5.296 7.977 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.610 5.731 5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.804 5.719 6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.419 6.533 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.873 7.946 6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.818 7.320 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.887 8.378 6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.597 8.528 5.192 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.859 10.473 7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.645 8.936 4.716 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.733 10.314 4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.261 12.189 7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.517 12.124 5.826 1.00 0.00 H new ATOM 513 N ILE A 33 -11.480 3.036 5.557 1.00 0.00 N ATOM 514 CA ILE A 33 -11.184 1.599 5.293 1.00 0.00 C ATOM 515 C ILE A 33 -11.804 1.194 3.953 1.00 0.00 C ATOM 516 O ILE A 33 -12.928 0.734 3.895 1.00 0.00 O ATOM 517 CB ILE A 33 -11.782 0.748 6.424 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.137 1.155 7.760 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.543 -0.749 6.159 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.646 0.791 7.778 1.00 0.00 C ATOM 0 H ILE A 33 -12.463 3.249 5.728 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.106 1.441 5.252 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.857 0.920 6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.256 2.227 7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.648 0.655 8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.974 -1.335 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.014 -1.032 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.472 -0.942 6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.210 1.088 8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.533 -0.285 7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.135 1.311 6.968 1.00 0.00 H new ATOM 532 N PHE A 34 -11.074 1.351 2.878 1.00 0.00 N ATOM 533 CA PHE A 34 -11.611 0.964 1.543 1.00 0.00 C ATOM 534 C PHE A 34 -11.508 -0.553 1.396 1.00 0.00 C ATOM 535 O PHE A 34 -10.642 -1.068 0.712 1.00 0.00 O ATOM 536 CB PHE A 34 -10.802 1.653 0.442 1.00 0.00 C ATOM 537 CG PHE A 34 -11.318 3.059 0.256 1.00 0.00 C ATOM 538 CD1 PHE A 34 -11.336 3.948 1.336 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.784 3.473 -0.998 1.00 0.00 C ATOM 540 CE1 PHE A 34 -11.817 5.251 1.166 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.267 4.776 -1.169 1.00 0.00 C ATOM 542 CZ PHE A 34 -12.283 5.665 -0.087 1.00 0.00 C ATOM 0 H PHE A 34 -10.128 1.731 2.870 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.653 1.272 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.745 1.673 0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.885 1.095 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.978 3.628 2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.771 2.788 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.829 5.936 2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.627 5.096 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.655 6.670 -0.220 1.00 0.00 H new ATOM 552 N THR A 35 -12.380 -1.267 2.053 1.00 0.00 N ATOM 553 CA THR A 35 -12.349 -2.755 1.988 1.00 0.00 C ATOM 554 C THR A 35 -12.977 -3.236 0.675 1.00 0.00 C ATOM 555 O THR A 35 -13.313 -2.450 -0.189 1.00 0.00 O ATOM 556 CB THR A 35 -13.140 -3.322 3.175 1.00 0.00 C ATOM 557 OG1 THR A 35 -13.158 -4.740 3.099 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.578 -2.789 3.150 1.00 0.00 C ATOM 0 H THR A 35 -13.120 -0.879 2.638 1.00 0.00 H new ATOM 0 HA THR A 35 -11.316 -3.100 2.031 1.00 0.00 H new ATOM 0 HB THR A 35 -12.661 -3.012 4.104 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.029 -5.117 3.994 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.132 -3.197 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.564 -1.701 3.216 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.062 -3.090 2.221 1.00 0.00 H new ATOM 566 N ASP A 36 -13.131 -4.527 0.530 1.00 0.00 N ATOM 567 CA ASP A 36 -13.729 -5.084 -0.714 1.00 0.00 C ATOM 568 C ASP A 36 -14.470 -6.380 -0.377 1.00 0.00 C ATOM 569 O ASP A 36 -13.934 -7.253 0.278 1.00 0.00 O ATOM 570 CB ASP A 36 -12.612 -5.385 -1.713 1.00 0.00 C ATOM 571 CG ASP A 36 -13.106 -5.120 -3.133 1.00 0.00 C ATOM 572 OD1 ASP A 36 -13.393 -3.974 -3.436 1.00 0.00 O ATOM 573 OD2 ASP A 36 -13.185 -6.070 -3.894 1.00 0.00 O ATOM 0 H ASP A 36 -12.865 -5.222 1.227 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.425 -4.365 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.742 -4.764 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.294 -6.423 -1.616 1.00 0.00 H new ATOM 578 N LYS A 37 -15.694 -6.515 -0.821 1.00 0.00 N ATOM 579 CA LYS A 37 -16.466 -7.756 -0.524 1.00 0.00 C ATOM 580 C LYS A 37 -16.320 -8.739 -1.690 1.00 0.00 C ATOM 581 O LYS A 37 -17.288 -9.266 -2.203 1.00 0.00 O ATOM 582 CB LYS A 37 -17.942 -7.406 -0.308 1.00 0.00 C ATOM 583 CG LYS A 37 -18.062 -6.282 0.732 1.00 0.00 C ATOM 584 CD LYS A 37 -17.499 -6.749 2.082 1.00 0.00 C ATOM 585 CE LYS A 37 -18.353 -7.892 2.637 1.00 0.00 C ATOM 586 NZ LYS A 37 -17.659 -9.191 2.407 1.00 0.00 N ATOM 0 H LYS A 37 -16.191 -5.818 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.078 -8.220 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.393 -7.093 -1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.489 -8.287 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.521 -5.400 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.106 -5.991 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.468 -7.080 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.486 -5.918 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.527 -7.745 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.329 -7.899 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.806 -9.813 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.045 -9.645 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.641 -9.023 2.279 1.00 0.00 H new ATOM 600 N ALA A 38 -15.102 -8.991 -2.103 1.00 0.00 N ATOM 601 CA ALA A 38 -14.849 -9.943 -3.229 1.00 0.00 C ATOM 602 C ALA A 38 -15.477 -11.314 -2.920 1.00 0.00 C ATOM 603 O ALA A 38 -15.737 -12.098 -3.812 1.00 0.00 O ATOM 604 CB ALA A 38 -13.335 -10.111 -3.404 1.00 0.00 C ATOM 0 H ALA A 38 -14.262 -8.572 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.295 -9.547 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.138 -10.803 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.885 -9.144 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.904 -10.505 -2.484 1.00 0.00 H new ATOM 661 N ASP A 44 -15.259 -8.012 -6.618 1.00 0.00 N ATOM 662 CA ASP A 44 -15.841 -6.650 -6.449 1.00 0.00 C ATOM 663 C ASP A 44 -14.722 -5.660 -6.121 1.00 0.00 C ATOM 664 O ASP A 44 -14.857 -4.829 -5.244 1.00 0.00 O ATOM 665 CB ASP A 44 -16.856 -6.678 -5.303 1.00 0.00 C ATOM 666 CG ASP A 44 -18.251 -6.963 -5.863 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.567 -8.128 -6.046 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.979 -6.014 -6.100 1.00 0.00 O ATOM 0 HA ASP A 44 -16.338 -6.342 -7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.580 -7.444 -4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.852 -5.724 -4.776 1.00 0.00 H new ATOM 673 N ARG A 45 -13.616 -5.750 -6.816 1.00 0.00 N ATOM 674 CA ARG A 45 -12.471 -4.825 -6.552 1.00 0.00 C ATOM 675 C ARG A 45 -12.901 -3.374 -6.790 1.00 0.00 C ATOM 676 O ARG A 45 -12.704 -2.824 -7.857 1.00 0.00 O ATOM 677 CB ARG A 45 -11.311 -5.171 -7.488 1.00 0.00 C ATOM 678 CG ARG A 45 -10.676 -6.491 -7.045 1.00 0.00 C ATOM 679 CD ARG A 45 -9.486 -6.824 -7.950 1.00 0.00 C ATOM 680 NE ARG A 45 -9.980 -7.249 -9.298 1.00 0.00 N ATOM 681 CZ ARG A 45 -10.181 -6.383 -10.275 1.00 0.00 C ATOM 682 NH1 ARG A 45 -9.958 -5.097 -10.123 1.00 0.00 N ATOM 683 NH2 ARG A 45 -10.612 -6.819 -11.427 1.00 0.00 N ATOM 0 H ARG A 45 -13.456 -6.429 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.154 -4.938 -5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.670 -5.254 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.567 -4.374 -7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.347 -6.417 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.413 -7.293 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.837 -5.954 -8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.889 -7.619 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.167 -8.237 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.619 -4.740 -9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.124 -4.456 -10.899 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.788 -7.815 -11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.773 -6.164 -12.192 1.00 0.00 H new ATOM 697 N LYS A 46 -13.487 -2.756 -5.797 1.00 0.00 N ATOM 698 CA LYS A 46 -13.938 -1.341 -5.942 1.00 0.00 C ATOM 699 C LYS A 46 -13.183 -0.446 -4.950 1.00 0.00 C ATOM 700 O LYS A 46 -13.107 0.754 -5.129 1.00 0.00 O ATOM 701 CB LYS A 46 -15.438 -1.253 -5.657 1.00 0.00 C ATOM 702 CG LYS A 46 -16.221 -1.784 -6.860 1.00 0.00 C ATOM 703 CD LYS A 46 -17.521 -0.992 -7.015 1.00 0.00 C ATOM 704 CE LYS A 46 -18.432 -1.261 -5.816 1.00 0.00 C ATOM 705 NZ LYS A 46 -19.389 -0.130 -5.656 1.00 0.00 N ATOM 0 H LYS A 46 -13.673 -3.175 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.734 -1.005 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.684 -1.831 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.720 -0.220 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.620 -1.697 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.442 -2.843 -6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.303 0.074 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.025 -1.278 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.976 -2.194 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.835 -1.377 -4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.009 -0.312 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.861 0.752 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -19.966 -0.039 -6.516 1.00 0.00 H new ATOM 719 N GLY A 47 -12.628 -1.016 -3.905 1.00 0.00 N ATOM 720 CA GLY A 47 -11.884 -0.199 -2.901 1.00 0.00 C ATOM 721 C GLY A 47 -10.740 0.555 -3.585 1.00 0.00 C ATOM 722 O GLY A 47 -10.681 1.766 -3.540 1.00 0.00 O ATOM 0 H GLY A 47 -12.660 -2.016 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.561 0.508 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.488 -0.844 -2.116 1.00 0.00 H new ATOM 726 N LEU A 48 -9.829 -0.151 -4.213 1.00 0.00 N ATOM 727 CA LEU A 48 -8.677 0.545 -4.897 1.00 0.00 C ATOM 728 C LEU A 48 -9.229 1.540 -5.927 1.00 0.00 C ATOM 729 O LEU A 48 -8.626 2.562 -6.197 1.00 0.00 O ATOM 730 CB LEU A 48 -7.704 -0.430 -5.623 1.00 0.00 C ATOM 731 CG LEU A 48 -8.317 -1.816 -5.873 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.591 -1.677 -6.706 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.309 -2.675 -6.638 1.00 0.00 C ATOM 0 H LEU A 48 -9.827 -1.168 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.108 1.047 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.406 0.006 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.799 -0.542 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.560 -2.283 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.021 -2.663 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.310 -1.057 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.352 -1.212 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.736 -3.661 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.075 -2.200 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.397 -2.777 -6.049 1.00 0.00 H new ATOM 745 N ASP A 49 -10.373 1.250 -6.495 1.00 0.00 N ATOM 746 CA ASP A 49 -10.973 2.175 -7.501 1.00 0.00 C ATOM 747 C ASP A 49 -11.380 3.473 -6.806 1.00 0.00 C ATOM 748 O ASP A 49 -10.880 4.538 -7.116 1.00 0.00 O ATOM 749 CB ASP A 49 -12.204 1.519 -8.130 1.00 0.00 C ATOM 750 CG ASP A 49 -12.305 1.926 -9.601 1.00 0.00 C ATOM 751 OD1 ASP A 49 -12.052 3.082 -9.895 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.634 1.072 -10.409 1.00 0.00 O ATOM 0 H ASP A 49 -10.918 0.409 -6.304 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.245 2.391 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.134 0.435 -8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.104 1.823 -7.595 1.00 0.00 H new ATOM 757 N LEU A 50 -12.280 3.388 -5.860 1.00 0.00 N ATOM 758 CA LEU A 50 -12.724 4.608 -5.126 1.00 0.00 C ATOM 759 C LEU A 50 -11.529 5.202 -4.371 1.00 0.00 C ATOM 760 O LEU A 50 -11.447 6.396 -4.159 1.00 0.00 O ATOM 761 CB LEU A 50 -13.827 4.229 -4.134 1.00 0.00 C ATOM 762 CG LEU A 50 -14.968 3.520 -4.877 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.485 2.351 -4.034 1.00 0.00 C ATOM 764 CD2 LEU A 50 -16.110 4.508 -5.127 1.00 0.00 C ATOM 0 H LEU A 50 -12.728 2.521 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.111 5.345 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.424 3.577 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.204 5.122 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.596 3.144 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.295 1.850 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.675 1.644 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.854 2.726 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.919 4.003 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.479 4.886 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.746 5.339 -5.731 1.00 0.00 H new ATOM 776 N LEU A 51 -10.596 4.370 -3.979 1.00 0.00 N ATOM 777 CA LEU A 51 -9.394 4.867 -3.251 1.00 0.00 C ATOM 778 C LEU A 51 -8.587 5.757 -4.196 1.00 0.00 C ATOM 779 O LEU A 51 -8.055 6.779 -3.802 1.00 0.00 O ATOM 780 CB LEU A 51 -8.539 3.674 -2.812 1.00 0.00 C ATOM 781 CG LEU A 51 -7.504 4.126 -1.781 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.170 4.255 -0.412 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.381 3.089 -1.702 1.00 0.00 C ATOM 0 H LEU A 51 -10.618 3.362 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.694 5.436 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.174 2.898 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.038 3.237 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.093 5.091 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.432 4.577 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.973 4.990 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.581 3.290 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.642 3.409 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.795 2.126 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.905 2.993 -2.678 1.00 0.00 H new ATOM 795 N ARG A 52 -8.505 5.378 -5.447 1.00 0.00 N ATOM 796 CA ARG A 52 -7.744 6.193 -6.440 1.00 0.00 C ATOM 797 C ARG A 52 -8.352 7.601 -6.533 1.00 0.00 C ATOM 798 O ARG A 52 -7.699 8.536 -6.954 1.00 0.00 O ATOM 799 CB ARG A 52 -7.809 5.513 -7.810 1.00 0.00 C ATOM 800 CG ARG A 52 -6.674 4.488 -7.923 1.00 0.00 C ATOM 801 CD ARG A 52 -7.141 3.292 -8.756 1.00 0.00 C ATOM 802 NE ARG A 52 -7.394 3.729 -10.162 1.00 0.00 N ATOM 803 CZ ARG A 52 -7.600 2.854 -11.127 1.00 0.00 C ATOM 804 NH1 ARG A 52 -7.594 1.561 -10.897 1.00 0.00 N ATOM 805 NH2 ARG A 52 -7.815 3.283 -12.342 1.00 0.00 N ATOM 0 H ARG A 52 -8.936 4.534 -5.824 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.705 6.274 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.773 5.021 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.723 6.257 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.801 4.947 -8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.371 4.156 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.385 2.507 -8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.049 2.869 -8.327 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.408 4.725 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.427 1.212 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.756 0.906 -11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.822 4.284 -12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.976 2.617 -13.097 1.00 0.00 H new ATOM 819 N MET A 53 -9.595 7.757 -6.140 1.00 0.00 N ATOM 820 CA MET A 53 -10.242 9.102 -6.201 1.00 0.00 C ATOM 821 C MET A 53 -10.490 9.657 -4.781 1.00 0.00 C ATOM 822 O MET A 53 -11.045 10.729 -4.625 1.00 0.00 O ATOM 823 CB MET A 53 -11.564 8.992 -6.991 1.00 0.00 C ATOM 824 CG MET A 53 -12.643 8.270 -6.169 1.00 0.00 C ATOM 825 SD MET A 53 -14.217 8.322 -7.061 1.00 0.00 S ATOM 826 CE MET A 53 -15.297 8.122 -5.623 1.00 0.00 C ATOM 0 H MET A 53 -10.187 7.009 -5.780 1.00 0.00 H new ATOM 0 HA MET A 53 -9.578 9.799 -6.712 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.914 9.989 -7.260 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.391 8.453 -7.922 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.348 7.236 -5.990 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.750 8.744 -5.193 1.00 0.00 H new ATOM 0 HE1 MET A 53 -16.287 7.808 -5.953 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.880 7.367 -4.957 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.375 9.071 -5.092 1.00 0.00 H new ATOM 836 N LYS A 54 -10.091 8.942 -3.752 1.00 0.00 N ATOM 837 CA LYS A 54 -10.313 9.439 -2.359 1.00 0.00 C ATOM 838 C LYS A 54 -8.974 9.838 -1.731 1.00 0.00 C ATOM 839 O LYS A 54 -8.918 10.691 -0.864 1.00 0.00 O ATOM 840 CB LYS A 54 -10.957 8.331 -1.520 1.00 0.00 C ATOM 841 CG LYS A 54 -11.303 8.875 -0.131 1.00 0.00 C ATOM 842 CD LYS A 54 -12.579 9.714 -0.213 1.00 0.00 C ATOM 843 CE LYS A 54 -12.778 10.472 1.101 1.00 0.00 C ATOM 844 NZ LYS A 54 -13.258 9.529 2.150 1.00 0.00 N ATOM 0 H LYS A 54 -9.623 8.038 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.971 10.308 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.857 7.964 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.275 7.485 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.441 8.051 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.481 9.481 0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.512 10.417 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.437 9.071 -0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.841 10.933 1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.499 11.277 0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.394 10.044 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.161 9.109 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.554 8.776 2.288 1.00 0.00 H new ATOM 858 N VAL A 55 -7.900 9.223 -2.154 1.00 0.00 N ATOM 859 CA VAL A 55 -6.560 9.554 -1.580 1.00 0.00 C ATOM 860 C VAL A 55 -6.237 11.032 -1.810 1.00 0.00 C ATOM 861 O VAL A 55 -6.585 11.603 -2.826 1.00 0.00 O ATOM 862 CB VAL A 55 -5.490 8.694 -2.256 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.692 7.219 -1.882 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.591 8.862 -3.776 1.00 0.00 C ATOM 0 H VAL A 55 -7.893 8.502 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.575 9.354 -0.509 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.503 9.012 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.927 6.613 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.615 7.104 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.678 6.892 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.830 8.251 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.579 8.546 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.436 9.909 -4.037 1.00 0.00 H new ATOM 874 N GLU A 56 -5.563 11.649 -0.871 1.00 0.00 N ATOM 875 CA GLU A 56 -5.196 13.088 -1.024 1.00 0.00 C ATOM 876 C GLU A 56 -3.696 13.187 -1.302 1.00 0.00 C ATOM 877 O GLU A 56 -2.901 12.494 -0.698 1.00 0.00 O ATOM 878 CB GLU A 56 -5.526 13.840 0.266 1.00 0.00 C ATOM 879 CG GLU A 56 -5.436 15.348 0.016 1.00 0.00 C ATOM 880 CD GLU A 56 -5.824 16.101 1.288 1.00 0.00 C ATOM 881 OE1 GLU A 56 -5.311 15.754 2.338 1.00 0.00 O ATOM 882 OE2 GLU A 56 -6.630 17.012 1.191 1.00 0.00 O ATOM 0 H GLU A 56 -5.251 11.215 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.757 13.528 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.527 13.576 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.833 13.550 1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.423 15.618 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.097 15.631 -0.803 1.00 0.00 H new ATOM 889 N GLU A 57 -3.297 14.040 -2.215 1.00 0.00 N ATOM 890 CA GLU A 57 -1.841 14.178 -2.542 1.00 0.00 C ATOM 891 C GLU A 57 -1.026 14.411 -1.264 1.00 0.00 C ATOM 892 O GLU A 57 -0.989 15.502 -0.727 1.00 0.00 O ATOM 893 CB GLU A 57 -1.639 15.351 -3.505 1.00 0.00 C ATOM 894 CG GLU A 57 -2.228 16.626 -2.896 1.00 0.00 C ATOM 895 CD GLU A 57 -2.796 17.510 -4.008 1.00 0.00 C ATOM 896 OE1 GLU A 57 -2.016 17.980 -4.820 1.00 0.00 O ATOM 897 OE2 GLU A 57 -4.000 17.701 -4.030 1.00 0.00 O ATOM 0 H GLU A 57 -3.918 14.648 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.497 13.257 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.577 15.490 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.119 15.137 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.012 16.372 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.459 17.167 -2.345 1.00 0.00 H new ATOM 904 N GLY A 58 -0.376 13.383 -0.784 1.00 0.00 N ATOM 905 CA GLY A 58 0.443 13.518 0.456 1.00 0.00 C ATOM 906 C GLY A 58 -0.116 12.616 1.565 1.00 0.00 C ATOM 907 O GLY A 58 0.195 12.798 2.727 1.00 0.00 O ATOM 0 H GLY A 58 -0.378 12.452 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.479 13.249 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.444 14.556 0.788 1.00 0.00 H new ATOM 911 N ASP A 59 -0.936 11.645 1.225 1.00 0.00 N ATOM 912 CA ASP A 59 -1.502 10.742 2.273 1.00 0.00 C ATOM 913 C ASP A 59 -0.687 9.442 2.329 1.00 0.00 C ATOM 914 O ASP A 59 0.414 9.368 1.817 1.00 0.00 O ATOM 915 CB ASP A 59 -2.978 10.441 1.956 1.00 0.00 C ATOM 916 CG ASP A 59 -3.097 9.572 0.695 1.00 0.00 C ATOM 917 OD1 ASP A 59 -2.877 8.377 0.802 1.00 0.00 O ATOM 918 OD2 ASP A 59 -3.409 10.115 -0.348 1.00 0.00 O ATOM 0 H ASP A 59 -1.234 11.443 0.271 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.447 11.231 3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.439 9.930 2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.522 11.375 1.813 1.00 0.00 H new ATOM 923 N VAL A 60 -1.230 8.420 2.938 1.00 0.00 N ATOM 924 CA VAL A 60 -0.503 7.115 3.024 1.00 0.00 C ATOM 925 C VAL A 60 -1.503 5.974 2.830 1.00 0.00 C ATOM 926 O VAL A 60 -2.461 5.847 3.571 1.00 0.00 O ATOM 927 CB VAL A 60 0.188 6.960 4.390 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.542 7.668 4.360 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.679 7.558 5.508 1.00 0.00 C ATOM 0 H VAL A 60 -2.149 8.432 3.381 1.00 0.00 H new ATOM 0 HA VAL A 60 0.260 7.087 2.246 1.00 0.00 H new ATOM 0 HB VAL A 60 0.330 5.898 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.032 7.558 5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.167 7.225 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.394 8.727 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.172 7.438 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.842 8.618 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.639 7.043 5.539 1.00 0.00 H new ATOM 939 N ILE A 61 -1.292 5.149 1.836 1.00 0.00 N ATOM 940 CA ILE A 61 -2.231 4.018 1.581 1.00 0.00 C ATOM 941 C ILE A 61 -1.651 2.727 2.166 1.00 0.00 C ATOM 942 O ILE A 61 -0.845 2.062 1.543 1.00 0.00 O ATOM 943 CB ILE A 61 -2.427 3.860 0.071 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.956 5.175 -0.507 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.433 2.741 -0.215 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.589 5.266 -1.989 1.00 0.00 C ATOM 0 H ILE A 61 -0.506 5.211 1.188 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.191 4.223 2.054 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.472 3.607 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.038 5.229 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.532 6.020 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.565 2.637 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.061 1.803 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.390 2.986 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.966 6.202 -2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.505 5.232 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.034 4.429 -2.526 1.00 0.00 H new ATOM 958 N LEU A 62 -2.064 2.367 3.354 1.00 0.00 N ATOM 959 CA LEU A 62 -1.552 1.116 3.981 1.00 0.00 C ATOM 960 C LEU A 62 -2.287 -0.078 3.368 1.00 0.00 C ATOM 961 O LEU A 62 -3.452 -0.305 3.642 1.00 0.00 O ATOM 962 CB LEU A 62 -1.807 1.159 5.492 1.00 0.00 C ATOM 963 CG LEU A 62 -0.626 0.526 6.229 1.00 0.00 C ATOM 964 CD1 LEU A 62 -0.511 1.137 7.626 1.00 0.00 C ATOM 965 CD2 LEU A 62 -0.854 -0.982 6.348 1.00 0.00 C ATOM 0 H LEU A 62 -2.736 2.889 3.917 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.481 1.022 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.943 2.190 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.727 0.625 5.731 1.00 0.00 H new ATOM 0 HG LEU A 62 0.294 0.713 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.331 0.686 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.352 2.212 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.429 0.949 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.014 -1.437 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.773 -1.168 6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.938 -1.417 5.352 1.00 0.00 H new ATOM 977 N VAL A 63 -1.622 -0.832 2.530 1.00 0.00 N ATOM 978 CA VAL A 63 -2.284 -2.003 1.882 1.00 0.00 C ATOM 979 C VAL A 63 -1.782 -3.307 2.518 1.00 0.00 C ATOM 980 O VAL A 63 -0.747 -3.343 3.155 1.00 0.00 O ATOM 981 CB VAL A 63 -1.970 -1.986 0.377 1.00 0.00 C ATOM 982 CG1 VAL A 63 -0.460 -2.107 0.153 1.00 0.00 C ATOM 983 CG2 VAL A 63 -2.684 -3.151 -0.316 1.00 0.00 C ATOM 0 H VAL A 63 -0.647 -0.686 2.267 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.363 -1.943 2.027 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.320 -1.044 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.249 -2.094 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.047 -1.270 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.102 -3.043 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.458 -3.134 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.343 -4.093 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.760 -3.056 -0.172 1.00 0.00 H new ATOM 1207 N ILE A 77 0.289 -2.999 -9.526 1.00 0.00 N ATOM 1208 CA ILE A 77 1.185 -2.056 -10.252 1.00 0.00 C ATOM 1209 C ILE A 77 0.364 -0.910 -10.867 1.00 0.00 C ATOM 1210 O ILE A 77 0.890 0.154 -11.138 1.00 0.00 O ATOM 1211 CB ILE A 77 1.915 -2.830 -11.353 1.00 0.00 C ATOM 1212 CG1 ILE A 77 2.711 -3.977 -10.719 1.00 0.00 C ATOM 1213 CG2 ILE A 77 2.872 -1.898 -12.101 1.00 0.00 C ATOM 1214 CD1 ILE A 77 1.887 -5.264 -10.777 1.00 0.00 C ATOM 0 HA ILE A 77 1.907 -1.624 -9.559 1.00 0.00 H new ATOM 0 HB ILE A 77 1.185 -3.230 -12.057 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.655 -4.113 -11.246 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.956 -3.736 -9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.387 -2.457 -12.882 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.307 -1.081 -12.551 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.604 -1.492 -11.403 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.453 -6.079 -10.326 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.955 -5.124 -10.230 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.665 -5.507 -11.816 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.913 -1.116 -11.099 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.751 -0.037 -11.705 1.00 0.00 C ATOM 1228 C GLN A 78 -2.010 1.064 -10.673 1.00 0.00 C ATOM 1229 O GLN A 78 -1.483 2.156 -10.784 1.00 0.00 O ATOM 1230 CB GLN A 78 -3.085 -0.627 -12.176 1.00 0.00 C ATOM 1231 CG GLN A 78 -3.503 0.036 -13.491 1.00 0.00 C ATOM 1232 CD GLN A 78 -3.892 1.492 -13.227 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -4.939 1.763 -12.675 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -3.086 2.447 -13.601 1.00 0.00 N ATOM 0 H GLN A 78 -1.408 -1.984 -10.894 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.223 0.391 -12.557 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.989 -1.704 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.852 -0.470 -11.418 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.684 -0.008 -14.209 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.343 -0.502 -13.931 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.206 2.220 -14.065 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.335 3.421 -13.430 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.812 0.792 -9.671 1.00 0.00 N ATOM 1244 CA LEU A 79 -3.096 1.832 -8.636 1.00 0.00 C ATOM 1245 C LEU A 79 -1.792 2.215 -7.931 1.00 0.00 C ATOM 1246 O LEU A 79 -1.652 3.312 -7.425 1.00 0.00 O ATOM 1247 CB LEU A 79 -4.103 1.295 -7.613 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.562 0.008 -6.966 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -3.675 0.105 -5.442 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -4.373 -1.192 -7.452 1.00 0.00 C ATOM 0 H LEU A 79 -3.280 -0.103 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.521 2.712 -9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.290 2.046 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.057 1.093 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.516 -0.117 -7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.290 -0.809 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.095 0.957 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.720 0.236 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.988 -2.102 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.419 -1.060 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.292 -1.271 -8.536 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.831 1.321 -7.908 1.00 0.00 N ATOM 1263 CA ILE A 80 0.468 1.633 -7.252 1.00 0.00 C ATOM 1264 C ILE A 80 1.150 2.748 -8.065 1.00 0.00 C ATOM 1265 O ILE A 80 1.771 3.635 -7.513 1.00 0.00 O ATOM 1266 CB ILE A 80 1.327 0.345 -7.193 1.00 0.00 C ATOM 1267 CG1 ILE A 80 0.907 -0.476 -5.970 1.00 0.00 C ATOM 1268 CG2 ILE A 80 2.828 0.661 -7.072 1.00 0.00 C ATOM 1269 CD1 ILE A 80 -0.474 -1.089 -6.201 1.00 0.00 C ATOM 0 H ILE A 80 -0.896 0.389 -8.317 1.00 0.00 H new ATOM 0 HA ILE A 80 0.331 1.981 -6.228 1.00 0.00 H new ATOM 0 HB ILE A 80 1.165 -0.207 -8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.637 -1.264 -5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.889 0.159 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.394 -0.270 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.148 1.245 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.007 1.232 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.765 -1.671 -5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.202 -0.295 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.442 -1.739 -7.075 1.00 0.00 H new ATOM 1281 N LYS A 81 1.018 2.708 -9.370 1.00 0.00 N ATOM 1282 CA LYS A 81 1.637 3.770 -10.215 1.00 0.00 C ATOM 1283 C LYS A 81 0.748 5.014 -10.164 1.00 0.00 C ATOM 1284 O LYS A 81 1.224 6.133 -10.219 1.00 0.00 O ATOM 1285 CB LYS A 81 1.753 3.271 -11.665 1.00 0.00 C ATOM 1286 CG LYS A 81 3.229 3.195 -12.070 1.00 0.00 C ATOM 1287 CD LYS A 81 3.726 1.753 -11.933 1.00 0.00 C ATOM 1288 CE LYS A 81 3.342 0.959 -13.184 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.439 0.012 -13.532 1.00 0.00 N ATOM 0 H LYS A 81 0.510 1.987 -9.882 1.00 0.00 H new ATOM 0 HA LYS A 81 2.633 4.012 -9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.289 2.289 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.217 3.943 -12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.353 3.537 -13.098 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.824 3.857 -11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.808 1.741 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.291 1.290 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.416 0.411 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.157 1.639 -14.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.052 -0.778 -14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.161 0.508 -14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.870 -0.355 -12.660 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.542 4.822 -10.052 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.476 5.981 -9.988 1.00 0.00 C ATOM 1305 C GLU A 82 -1.294 6.699 -8.651 1.00 0.00 C ATOM 1306 O GLU A 82 -1.414 7.906 -8.564 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.918 5.480 -10.110 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.796 6.586 -10.693 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.658 6.599 -12.217 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -4.300 5.785 -12.858 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -2.911 7.426 -12.716 1.00 0.00 O ATOM 0 H GLU A 82 -0.988 3.906 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.264 6.671 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.954 4.598 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.294 5.181 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.837 6.424 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.502 7.552 -10.283 1.00 0.00 H new ATOM 1318 N PHE A 83 -0.998 5.961 -7.609 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.799 6.591 -6.271 1.00 0.00 C ATOM 1320 C PHE A 83 0.606 7.192 -6.203 1.00 0.00 C ATOM 1321 O PHE A 83 0.819 8.229 -5.604 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.945 5.531 -5.175 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.399 5.147 -5.004 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.383 6.137 -4.876 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.761 3.795 -4.963 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.725 5.773 -4.709 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -4.105 3.434 -4.797 1.00 0.00 C ATOM 1328 CZ PHE A 83 -5.084 4.422 -4.669 1.00 0.00 C ATOM 0 H PHE A 83 -0.886 4.947 -7.630 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.545 7.371 -6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.357 4.650 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.550 5.915 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.106 7.181 -4.906 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.004 3.030 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.483 6.536 -4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.384 2.391 -4.768 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.119 4.142 -4.539 1.00 0.00 H new ATOM 1338 N ASP A 84 1.564 6.545 -6.816 1.00 0.00 N ATOM 1339 CA ASP A 84 2.963 7.064 -6.800 1.00 0.00 C ATOM 1340 C ASP A 84 3.004 8.435 -7.474 1.00 0.00 C ATOM 1341 O ASP A 84 3.751 9.313 -7.077 1.00 0.00 O ATOM 1342 CB ASP A 84 3.870 6.095 -7.560 1.00 0.00 C ATOM 1343 CG ASP A 84 5.295 6.189 -7.011 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.741 7.297 -6.762 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.916 5.152 -6.849 1.00 0.00 O ATOM 0 H ASP A 84 1.435 5.674 -7.330 1.00 0.00 H new ATOM 0 HA ASP A 84 3.308 7.155 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.497 5.076 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.863 6.333 -8.624 1.00 0.00 H new ATOM 1350 N ALA A 85 2.202 8.624 -8.489 1.00 0.00 N ATOM 1351 CA ALA A 85 2.178 9.934 -9.202 1.00 0.00 C ATOM 1352 C ALA A 85 1.296 10.930 -8.438 1.00 0.00 C ATOM 1353 O ALA A 85 1.426 12.129 -8.603 1.00 0.00 O ATOM 1354 CB ALA A 85 1.615 9.734 -10.611 1.00 0.00 C ATOM 0 H ALA A 85 1.559 7.922 -8.856 1.00 0.00 H new ATOM 0 HA ALA A 85 3.193 10.328 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.596 10.690 -11.134 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.245 9.033 -11.158 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.602 9.337 -10.545 1.00 0.00 H new ATOM 1360 N GLN A 86 0.400 10.449 -7.608 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.488 11.369 -6.843 1.00 0.00 C ATOM 1362 C GLN A 86 0.240 11.912 -5.601 1.00 0.00 C ATOM 1363 O GLN A 86 -0.337 12.647 -4.822 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.744 10.601 -6.411 1.00 0.00 C ATOM 1365 CG GLN A 86 -2.949 11.062 -7.239 1.00 0.00 C ATOM 1366 CD GLN A 86 -3.266 12.522 -6.910 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -3.602 12.845 -5.789 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -3.172 13.425 -7.848 1.00 0.00 N ATOM 0 H GLN A 86 0.249 9.456 -7.430 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.764 12.212 -7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.589 9.530 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.935 10.767 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.735 10.956 -8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.813 10.434 -7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.890 13.154 -8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.381 14.401 -7.639 1.00 0.00 H new ATOM 1377 N GLY A 87 1.491 11.560 -5.402 1.00 0.00 N ATOM 1378 CA GLY A 87 2.228 12.064 -4.204 1.00 0.00 C ATOM 1379 C GLY A 87 1.737 11.321 -2.961 1.00 0.00 C ATOM 1380 O GLY A 87 1.667 11.877 -1.882 1.00 0.00 O ATOM 0 H GLY A 87 2.028 10.948 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.300 11.914 -4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.068 13.136 -4.088 1.00 0.00 H new ATOM 1384 N VAL A 88 1.393 10.068 -3.112 1.00 0.00 N ATOM 1385 CA VAL A 88 0.897 9.274 -1.951 1.00 0.00 C ATOM 1386 C VAL A 88 1.900 8.165 -1.627 1.00 0.00 C ATOM 1387 O VAL A 88 2.603 7.677 -2.492 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.466 8.665 -2.306 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.001 7.845 -1.127 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.453 9.791 -2.621 1.00 0.00 C ATOM 0 H VAL A 88 1.435 9.559 -3.995 1.00 0.00 H new ATOM 0 HA VAL A 88 0.788 9.918 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.351 8.014 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.969 7.418 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.301 7.042 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.114 8.491 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.423 9.364 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.557 10.438 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.082 10.374 -3.464 1.00 0.00 H new ATOM 1400 N SER A 89 1.966 7.767 -0.381 1.00 0.00 N ATOM 1401 CA SER A 89 2.916 6.691 0.019 1.00 0.00 C ATOM 1402 C SER A 89 2.128 5.437 0.406 1.00 0.00 C ATOM 1403 O SER A 89 1.474 5.399 1.430 1.00 0.00 O ATOM 1404 CB SER A 89 3.744 7.163 1.214 1.00 0.00 C ATOM 1405 OG SER A 89 4.958 7.734 0.748 1.00 0.00 O ATOM 0 H SER A 89 1.399 8.145 0.378 1.00 0.00 H new ATOM 0 HA SER A 89 3.580 6.461 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.183 7.896 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.954 6.325 1.879 1.00 0.00 H new ATOM 0 HG SER A 89 5.490 8.039 1.512 1.00 0.00 H new ATOM 1411 N ILE A 90 2.187 4.412 -0.407 1.00 0.00 N ATOM 1412 CA ILE A 90 1.443 3.161 -0.091 1.00 0.00 C ATOM 1413 C ILE A 90 2.260 2.314 0.883 1.00 0.00 C ATOM 1414 O ILE A 90 3.248 1.707 0.516 1.00 0.00 O ATOM 1415 CB ILE A 90 1.194 2.363 -1.371 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.534 3.273 -2.417 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.273 1.179 -1.053 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.262 2.486 -3.702 1.00 0.00 C ATOM 0 H ILE A 90 2.720 4.391 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 90 0.486 3.421 0.361 1.00 0.00 H new ATOM 0 HB ILE A 90 2.139 1.990 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.399 3.675 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.182 4.123 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.091 0.605 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.747 0.539 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.675 1.550 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.206 3.140 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.202 2.105 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.404 1.651 -3.483 1.00 0.00 H new ATOM 1430 N ARG A 91 1.847 2.272 2.121 1.00 0.00 N ATOM 1431 CA ARG A 91 2.584 1.467 3.137 1.00 0.00 C ATOM 1432 C ARG A 91 2.221 -0.010 2.975 1.00 0.00 C ATOM 1433 O ARG A 91 1.065 -0.382 3.034 1.00 0.00 O ATOM 1434 CB ARG A 91 2.188 1.940 4.537 1.00 0.00 C ATOM 1435 CG ARG A 91 3.144 3.041 4.993 1.00 0.00 C ATOM 1436 CD ARG A 91 3.229 3.041 6.520 1.00 0.00 C ATOM 1437 NE ARG A 91 4.552 3.594 6.947 1.00 0.00 N ATOM 1438 CZ ARG A 91 4.814 4.883 6.869 1.00 0.00 C ATOM 1439 NH1 ARG A 91 3.931 5.740 6.410 1.00 0.00 N ATOM 1440 NH2 ARG A 91 5.982 5.320 7.255 1.00 0.00 N ATOM 0 H ARG A 91 1.026 2.764 2.474 1.00 0.00 H new ATOM 0 HA ARG A 91 3.658 1.593 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.164 2.313 4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.218 1.105 5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.133 2.880 4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.795 4.011 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.420 3.639 6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.107 2.027 6.902 1.00 0.00 H new ATOM 0 HE ARG A 91 5.266 2.960 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.015 5.413 6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.161 6.732 6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.679 4.666 7.612 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.198 6.315 7.200 1.00 0.00 H new ATOM 1454 N PHE A 92 3.202 -0.852 2.770 1.00 0.00 N ATOM 1455 CA PHE A 92 2.921 -2.306 2.604 1.00 0.00 C ATOM 1456 C PHE A 92 3.224 -3.032 3.915 1.00 0.00 C ATOM 1457 O PHE A 92 4.357 -3.095 4.351 1.00 0.00 O ATOM 1458 CB PHE A 92 3.809 -2.874 1.494 1.00 0.00 C ATOM 1459 CG PHE A 92 3.095 -2.760 0.167 1.00 0.00 C ATOM 1460 CD1 PHE A 92 2.872 -1.501 -0.403 1.00 0.00 C ATOM 1461 CD2 PHE A 92 2.659 -3.915 -0.494 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.213 -1.397 -1.633 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.000 -3.811 -1.724 1.00 0.00 C ATOM 1464 CZ PHE A 92 1.777 -2.551 -2.295 1.00 0.00 C ATOM 0 H PHE A 92 4.187 -0.592 2.711 1.00 0.00 H new ATOM 0 HA PHE A 92 1.873 -2.447 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.754 -2.333 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.047 -3.917 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.209 -0.610 0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.831 -4.886 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.041 -0.425 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.663 -4.702 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.269 -2.470 -3.245 1.00 0.00 H new ATOM 1474 N ILE A 93 2.217 -3.583 4.545 1.00 0.00 N ATOM 1475 CA ILE A 93 2.437 -4.312 5.832 1.00 0.00 C ATOM 1476 C ILE A 93 3.423 -5.470 5.608 1.00 0.00 C ATOM 1477 O ILE A 93 4.086 -5.913 6.527 1.00 0.00 O ATOM 1478 CB ILE A 93 1.089 -4.848 6.340 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.288 -5.601 7.663 1.00 0.00 C ATOM 1480 CG2 ILE A 93 0.477 -5.792 5.298 1.00 0.00 C ATOM 1481 CD1 ILE A 93 1.583 -4.601 8.782 1.00 0.00 C ATOM 0 H ILE A 93 1.250 -3.559 4.223 1.00 0.00 H new ATOM 0 HA ILE A 93 2.858 -3.636 6.576 1.00 0.00 H new ATOM 0 HB ILE A 93 0.415 -4.007 6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.395 -6.178 7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.110 -6.311 7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.478 -6.168 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.320 -5.251 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.153 -6.629 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.724 -5.137 9.721 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.489 -4.044 8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.747 -3.909 8.881 1.00 0.00 H new