USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 626 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 61 ASN : amide:sc= 0.556 K(o=0.72,f=-6.2!) USER MOD Set 1.2: A 64 THR OG1 : rot -55:sc= 0.161 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= -0.382 (180deg=-1.24) USER MOD Single : A 8 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.21) USER MOD Single : A 9 TYR OH : rot -105:sc= -0.596 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0355 X(o=-0.036,f=-0.036) USER MOD Single : A 50 CYS SG : rot -25:sc= -2.43! USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -168:sc= -1.11 (180deg=-1.35) USER MOD Single : A 66 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.62) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.725 3.679 20.139 1.00 1.23 N ATOM 2 CA MET A 1 -6.103 2.295 19.725 1.00 52.53 C ATOM 3 C MET A 1 -6.880 2.291 18.395 1.00 33.21 C ATOM 4 O MET A 1 -7.573 1.323 18.082 1.00 4.13 O ATOM 5 CB MET A 1 -6.964 1.635 20.817 1.00 12.31 C ATOM 6 CG MET A 1 -8.314 2.310 21.029 1.00 71.01 C ATOM 7 SD MET A 1 -9.319 1.495 22.285 1.00 1.31 S ATOM 8 CE MET A 1 -10.799 2.503 22.226 1.00 74.50 C ATOM 0 H1 MET A 1 -5.815 3.769 21.171 1.00 1.23 H new ATOM 0 H2 MET A 1 -4.741 3.869 19.859 1.00 1.23 H new ATOM 0 H3 MET A 1 -6.355 4.364 19.675 1.00 1.23 H new ATOM 0 HA MET A 1 -5.181 1.731 19.585 1.00 52.53 H new ATOM 0 HB2 MET A 1 -7.128 0.590 20.555 1.00 12.31 H new ATOM 0 HB3 MET A 1 -6.412 1.645 21.757 1.00 12.31 H new ATOM 0 HG2 MET A 1 -8.153 3.349 21.318 1.00 71.01 H new ATOM 0 HG3 MET A 1 -8.860 2.322 20.086 1.00 71.01 H new ATOM 0 HE1 MET A 1 -11.524 2.128 22.948 1.00 74.50 H new ATOM 0 HE2 MET A 1 -10.546 3.535 22.469 1.00 74.50 H new ATOM 0 HE3 MET A 1 -11.229 2.460 21.225 1.00 74.50 H new ATOM 20 N ALA A 2 -6.758 3.357 17.605 1.00 53.43 N ATOM 21 CA ALA A 2 -7.552 3.497 16.378 1.00 25.53 C ATOM 22 C ALA A 2 -6.991 2.663 15.211 1.00 11.31 C ATOM 23 O ALA A 2 -6.162 3.139 14.435 1.00 61.14 O ATOM 24 CB ALA A 2 -7.656 4.968 15.979 1.00 23.22 C ATOM 0 H ALA A 2 -6.122 4.133 17.788 1.00 53.43 H new ATOM 0 HA ALA A 2 -8.547 3.109 16.596 1.00 25.53 H new ATOM 0 HB1 ALA A 2 -8.247 5.057 15.068 1.00 23.22 H new ATOM 0 HB2 ALA A 2 -8.137 5.529 16.780 1.00 23.22 H new ATOM 0 HB3 ALA A 2 -6.658 5.369 15.804 1.00 23.22 H new ATOM 30 N GLY A 3 -7.437 1.409 15.108 1.00 25.11 N ATOM 31 CA GLY A 3 -7.083 0.567 13.965 1.00 71.43 C ATOM 32 C GLY A 3 -5.858 -0.316 14.202 1.00 51.34 C ATOM 33 O GLY A 3 -5.472 -0.565 15.348 1.00 42.04 O ATOM 0 H GLY A 3 -8.039 0.958 15.797 1.00 25.11 H new ATOM 0 HA2 GLY A 3 -7.934 -0.068 13.717 1.00 71.43 H new ATOM 0 HA3 GLY A 3 -6.898 1.204 13.100 1.00 71.43 H new ATOM 37 N PRO A 4 -5.234 -0.830 13.122 1.00 61.34 N ATOM 38 CA PRO A 4 -4.028 -1.663 13.218 1.00 71.32 C ATOM 39 C PRO A 4 -2.746 -0.842 13.460 1.00 21.32 C ATOM 40 O PRO A 4 -2.616 0.289 12.996 1.00 1.30 O ATOM 41 CB PRO A 4 -3.980 -2.351 11.850 1.00 53.10 C ATOM 42 CG PRO A 4 -4.602 -1.366 10.922 1.00 1.45 C ATOM 43 CD PRO A 4 -5.668 -0.651 11.720 1.00 33.41 C ATOM 0 HA PRO A 4 -4.072 -2.350 14.063 1.00 71.32 H new ATOM 0 HB2 PRO A 4 -2.956 -2.583 11.557 1.00 53.10 H new ATOM 0 HB3 PRO A 4 -4.530 -3.292 11.858 1.00 53.10 H new ATOM 0 HG2 PRO A 4 -3.859 -0.662 10.546 1.00 1.45 H new ATOM 0 HG3 PRO A 4 -5.034 -1.866 10.055 1.00 1.45 H new ATOM 0 HD2 PRO A 4 -5.730 0.404 11.451 1.00 33.41 H new ATOM 0 HD3 PRO A 4 -6.654 -1.082 11.548 1.00 33.41 H new ATOM 51 N GLU A 5 -1.788 -1.440 14.166 1.00 54.11 N ATOM 52 CA GLU A 5 -0.516 -0.775 14.500 1.00 34.54 C ATOM 53 C GLU A 5 0.474 -0.751 13.319 1.00 51.22 C ATOM 54 O GLU A 5 1.666 -0.510 13.508 1.00 50.22 O ATOM 55 CB GLU A 5 0.129 -1.455 15.714 1.00 44.03 C ATOM 56 CG GLU A 5 -0.608 -1.187 17.022 1.00 22.25 C ATOM 57 CD GLU A 5 -0.010 -1.923 18.209 1.00 54.01 C ATOM 58 OE1 GLU A 5 1.214 -1.815 18.431 1.00 0.11 O ATOM 59 OE2 GLU A 5 -0.764 -2.622 18.923 1.00 44.42 O ATOM 0 H GLU A 5 -1.864 -2.392 14.523 1.00 54.11 H new ATOM 0 HA GLU A 5 -0.752 0.262 14.738 1.00 34.54 H new ATOM 0 HB2 GLU A 5 0.167 -2.531 15.541 1.00 44.03 H new ATOM 0 HB3 GLU A 5 1.159 -1.111 15.809 1.00 44.03 H new ATOM 0 HG2 GLU A 5 -0.598 -0.116 17.224 1.00 22.25 H new ATOM 0 HG3 GLU A 5 -1.652 -1.480 16.910 1.00 22.25 H new ATOM 66 N GLY A 6 -0.015 -1.029 12.112 1.00 62.25 N ATOM 67 CA GLY A 6 0.831 -0.967 10.924 1.00 64.44 C ATOM 68 C GLY A 6 1.108 0.463 10.460 1.00 61.20 C ATOM 69 O GLY A 6 1.432 1.337 11.267 1.00 21.35 O ATOM 0 H GLY A 6 -0.983 -1.297 11.932 1.00 62.25 H new ATOM 0 HA2 GLY A 6 1.778 -1.465 11.133 1.00 64.44 H new ATOM 0 HA3 GLY A 6 0.352 -1.519 10.115 1.00 64.44 H new ATOM 73 N PHE A 7 0.991 0.706 9.157 1.00 15.35 N ATOM 74 CA PHE A 7 1.239 2.040 8.589 1.00 70.41 C ATOM 75 C PHE A 7 0.214 2.376 7.497 1.00 2.44 C ATOM 76 O PHE A 7 -0.373 1.481 6.881 1.00 2.12 O ATOM 77 CB PHE A 7 2.661 2.128 8.012 1.00 64.24 C ATOM 78 CG PHE A 7 3.754 1.979 9.045 1.00 10.44 C ATOM 79 CD1 PHE A 7 4.245 0.726 9.380 1.00 65.34 C ATOM 80 CD2 PHE A 7 4.293 3.092 9.678 1.00 54.23 C ATOM 81 CE1 PHE A 7 5.244 0.582 10.321 1.00 40.10 C ATOM 82 CE2 PHE A 7 5.295 2.955 10.622 1.00 71.50 C ATOM 83 CZ PHE A 7 5.772 1.698 10.943 1.00 63.22 C ATOM 0 H PHE A 7 0.726 0.000 8.470 1.00 15.35 H new ATOM 0 HA PHE A 7 1.137 2.766 9.396 1.00 70.41 H new ATOM 0 HB2 PHE A 7 2.783 1.354 7.255 1.00 64.24 H new ATOM 0 HB3 PHE A 7 2.779 3.088 7.509 1.00 64.24 H new ATOM 0 HD1 PHE A 7 3.839 -0.151 8.897 1.00 65.34 H new ATOM 0 HD2 PHE A 7 3.925 4.077 9.430 1.00 54.23 H new ATOM 0 HE1 PHE A 7 5.613 -0.402 10.571 1.00 40.10 H new ATOM 0 HE2 PHE A 7 5.704 3.829 11.107 1.00 71.50 H new ATOM 0 HZ PHE A 7 6.555 1.588 11.678 1.00 63.22 H new ATOM 93 N GLN A 8 -0.007 3.669 7.266 1.00 45.40 N ATOM 94 CA GLN A 8 -0.939 4.121 6.226 1.00 11.41 C ATOM 95 C GLN A 8 -0.208 4.824 5.073 1.00 20.25 C ATOM 96 O GLN A 8 0.697 5.639 5.288 1.00 52.25 O ATOM 97 CB GLN A 8 -2.003 5.059 6.819 1.00 11.13 C ATOM 98 CG GLN A 8 -2.935 4.381 7.818 1.00 31.30 C ATOM 99 CD GLN A 8 -4.008 5.320 8.350 1.00 60.14 C ATOM 100 OE1 GLN A 8 -5.097 5.423 7.797 1.00 32.10 O ATOM 101 NE2 GLN A 8 -3.703 6.029 9.417 1.00 62.21 N ATOM 0 H GLN A 8 0.444 4.424 7.783 1.00 45.40 H new ATOM 0 HA GLN A 8 -1.428 3.233 5.825 1.00 11.41 H new ATOM 0 HB2 GLN A 8 -1.504 5.894 7.311 1.00 11.13 H new ATOM 0 HB3 GLN A 8 -2.598 5.477 6.007 1.00 11.13 H new ATOM 0 HG2 GLN A 8 -3.411 3.525 7.341 1.00 31.30 H new ATOM 0 HG3 GLN A 8 -2.349 3.996 8.652 1.00 31.30 H new ATOM 0 HE21 GLN A 8 -2.789 5.922 9.856 1.00 62.21 H new ATOM 0 HE22 GLN A 8 -4.381 6.685 9.804 1.00 62.21 H new ATOM 110 N TYR A 9 -0.611 4.497 3.849 1.00 51.42 N ATOM 111 CA TYR A 9 -0.060 5.126 2.644 1.00 35.02 C ATOM 112 C TYR A 9 -1.132 5.961 1.929 1.00 60.11 C ATOM 113 O TYR A 9 -2.301 5.937 2.307 1.00 44.32 O ATOM 114 CB TYR A 9 0.489 4.055 1.695 1.00 21.54 C ATOM 115 CG TYR A 9 1.557 3.178 2.324 1.00 71.45 C ATOM 116 CD1 TYR A 9 2.868 3.623 2.444 1.00 54.44 C ATOM 117 CD2 TYR A 9 1.251 1.909 2.804 1.00 73.22 C ATOM 118 CE1 TYR A 9 3.842 2.828 3.018 1.00 24.42 C ATOM 119 CE2 TYR A 9 2.221 1.110 3.381 1.00 32.30 C ATOM 120 CZ TYR A 9 3.514 1.575 3.485 1.00 4.42 C ATOM 121 OH TYR A 9 4.482 0.782 4.054 1.00 53.32 O ATOM 0 H TYR A 9 -1.325 3.793 3.660 1.00 51.42 H new ATOM 0 HA TYR A 9 0.752 5.789 2.943 1.00 35.02 H new ATOM 0 HB2 TYR A 9 -0.334 3.425 1.356 1.00 21.54 H new ATOM 0 HB3 TYR A 9 0.903 4.541 0.812 1.00 21.54 H new ATOM 0 HD1 TYR A 9 3.130 4.606 2.083 1.00 54.44 H new ATOM 0 HD2 TYR A 9 0.239 1.541 2.725 1.00 73.22 H new ATOM 0 HE1 TYR A 9 4.857 3.188 3.100 1.00 24.42 H new ATOM 0 HE2 TYR A 9 1.967 0.127 3.748 1.00 32.30 H new ATOM 0 HH TYR A 9 4.733 0.071 3.427 1.00 53.32 H new ATOM 131 N ARG A 10 -0.736 6.696 0.898 1.00 24.33 N ATOM 132 CA ARG A 10 -1.672 7.544 0.153 1.00 20.32 C ATOM 133 C ARG A 10 -1.454 7.421 -1.363 1.00 45.41 C ATOM 134 O ARG A 10 -0.363 7.692 -1.866 1.00 64.44 O ATOM 135 CB ARG A 10 -1.504 8.999 0.598 1.00 74.43 C ATOM 136 CG ARG A 10 -2.442 9.982 -0.090 1.00 52.25 C ATOM 137 CD ARG A 10 -2.170 11.411 0.365 1.00 63.24 C ATOM 138 NE ARG A 10 -3.000 12.385 -0.343 1.00 64.15 N ATOM 139 CZ ARG A 10 -2.526 13.409 -0.993 1.00 41.34 C ATOM 140 NH1 ARG A 10 -1.251 13.638 -1.032 1.00 30.32 N ATOM 141 NH2 ARG A 10 -3.336 14.214 -1.599 1.00 51.43 N ATOM 0 H ARG A 10 0.224 6.726 0.555 1.00 24.33 H new ATOM 0 HA ARG A 10 -2.687 7.211 0.367 1.00 20.32 H new ATOM 0 HB2 ARG A 10 -1.663 9.057 1.675 1.00 74.43 H new ATOM 0 HB3 ARG A 10 -0.475 9.306 0.411 1.00 74.43 H new ATOM 0 HG2 ARG A 10 -2.318 9.912 -1.171 1.00 52.25 H new ATOM 0 HG3 ARG A 10 -3.476 9.718 0.131 1.00 52.25 H new ATOM 0 HD2 ARG A 10 -2.354 11.490 1.436 1.00 63.24 H new ATOM 0 HD3 ARG A 10 -1.118 11.648 0.204 1.00 63.24 H new ATOM 0 HE ARG A 10 -4.011 12.254 -0.327 1.00 64.15 H new ATOM 0 HH11 ARG A 10 -0.606 13.012 -0.550 1.00 30.32 H new ATOM 0 HH12 ARG A 10 -0.893 14.444 -1.545 1.00 30.32 H new ATOM 0 HH21 ARG A 10 -4.341 14.046 -1.567 1.00 51.43 H new ATOM 0 HH22 ARG A 10 -2.970 15.017 -2.109 1.00 51.43 H new ATOM 155 N ALA A 11 -2.496 7.009 -2.084 1.00 64.30 N ATOM 156 CA ALA A 11 -2.414 6.830 -3.540 1.00 42.11 C ATOM 157 C ALA A 11 -2.318 8.176 -4.279 1.00 62.30 C ATOM 158 O ALA A 11 -3.159 9.057 -4.104 1.00 32.43 O ATOM 159 CB ALA A 11 -3.613 6.029 -4.036 1.00 50.23 C ATOM 0 H ALA A 11 -3.410 6.792 -1.686 1.00 64.30 H new ATOM 0 HA ALA A 11 -1.500 6.277 -3.757 1.00 42.11 H new ATOM 0 HB1 ALA A 11 -3.544 5.901 -5.116 1.00 50.23 H new ATOM 0 HB2 ALA A 11 -3.621 5.051 -3.555 1.00 50.23 H new ATOM 0 HB3 ALA A 11 -4.532 6.561 -3.792 1.00 50.23 H new ATOM 165 N LEU A 12 -1.290 8.323 -5.109 1.00 31.23 N ATOM 166 CA LEU A 12 -1.050 9.576 -5.832 1.00 73.12 C ATOM 167 C LEU A 12 -1.926 9.695 -7.090 1.00 42.54 C ATOM 168 O LEU A 12 -2.520 10.746 -7.349 1.00 11.24 O ATOM 169 CB LEU A 12 0.431 9.673 -6.220 1.00 14.22 C ATOM 170 CG LEU A 12 1.420 9.539 -5.049 1.00 73.20 C ATOM 171 CD1 LEU A 12 2.862 9.702 -5.530 1.00 42.03 C ATOM 172 CD2 LEU A 12 1.091 10.552 -3.955 1.00 3.21 C ATOM 0 H LEU A 12 -0.606 7.591 -5.301 1.00 31.23 H new ATOM 0 HA LEU A 12 -1.317 10.397 -5.167 1.00 73.12 H new ATOM 0 HB2 LEU A 12 0.651 8.896 -6.952 1.00 14.22 H new ATOM 0 HB3 LEU A 12 0.600 10.631 -6.711 1.00 14.22 H new ATOM 0 HG LEU A 12 1.321 8.538 -4.629 1.00 73.20 H new ATOM 0 HD11 LEU A 12 3.541 9.603 -4.683 1.00 42.03 H new ATOM 0 HD12 LEU A 12 3.088 8.933 -6.269 1.00 42.03 H new ATOM 0 HD13 LEU A 12 2.986 10.686 -5.981 1.00 42.03 H new ATOM 0 HD21 LEU A 12 1.800 10.444 -3.134 1.00 3.21 H new ATOM 0 HD22 LEU A 12 1.158 11.561 -4.362 1.00 3.21 H new ATOM 0 HD23 LEU A 12 0.080 10.375 -3.587 1.00 3.21 H new ATOM 184 N TYR A 13 -1.995 8.619 -7.868 1.00 44.22 N ATOM 185 CA TYR A 13 -2.760 8.601 -9.123 1.00 64.10 C ATOM 186 C TYR A 13 -3.552 7.290 -9.269 1.00 1.32 C ATOM 187 O TYR A 13 -3.218 6.287 -8.638 1.00 23.34 O ATOM 188 CB TYR A 13 -1.814 8.792 -10.325 1.00 55.22 C ATOM 189 CG TYR A 13 -1.244 10.194 -10.434 1.00 2.32 C ATOM 190 CD1 TYR A 13 -1.966 11.208 -11.058 1.00 20.54 C ATOM 191 CD2 TYR A 13 0.006 10.508 -9.910 1.00 43.14 C ATOM 192 CE1 TYR A 13 -1.460 12.489 -11.153 1.00 31.25 C ATOM 193 CE2 TYR A 13 0.518 11.789 -10.005 1.00 63.43 C ATOM 194 CZ TYR A 13 -0.220 12.774 -10.627 1.00 60.44 C ATOM 195 OH TYR A 13 0.281 14.054 -10.715 1.00 41.23 O ATOM 0 H TYR A 13 -1.528 7.738 -7.654 1.00 44.22 H new ATOM 0 HA TYR A 13 -3.473 9.425 -9.099 1.00 64.10 H new ATOM 0 HB2 TYR A 13 -0.992 8.080 -10.246 1.00 55.22 H new ATOM 0 HB3 TYR A 13 -2.354 8.556 -11.242 1.00 55.22 H new ATOM 0 HD1 TYR A 13 -2.938 10.989 -11.475 1.00 20.54 H new ATOM 0 HD2 TYR A 13 0.586 9.739 -9.421 1.00 43.14 H new ATOM 0 HE1 TYR A 13 -2.035 13.264 -11.638 1.00 31.25 H new ATOM 0 HE2 TYR A 13 1.491 12.017 -9.594 1.00 63.43 H new ATOM 0 HH TYR A 13 1.166 14.089 -10.295 1.00 41.23 H new ATOM 205 N PRO A 14 -4.620 7.279 -10.100 1.00 25.40 N ATOM 206 CA PRO A 14 -5.461 6.083 -10.283 1.00 72.12 C ATOM 207 C PRO A 14 -4.726 4.919 -10.973 1.00 73.14 C ATOM 208 O PRO A 14 -4.180 5.065 -12.069 1.00 24.15 O ATOM 209 CB PRO A 14 -6.623 6.582 -11.151 1.00 51.15 C ATOM 210 CG PRO A 14 -6.092 7.785 -11.853 1.00 11.10 C ATOM 211 CD PRO A 14 -5.093 8.415 -10.916 1.00 15.41 C ATOM 0 HA PRO A 14 -5.774 5.672 -9.323 1.00 72.12 H new ATOM 0 HB2 PRO A 14 -6.941 5.819 -11.861 1.00 51.15 H new ATOM 0 HB3 PRO A 14 -7.492 6.832 -10.542 1.00 51.15 H new ATOM 0 HG2 PRO A 14 -5.620 7.508 -12.796 1.00 11.10 H new ATOM 0 HG3 PRO A 14 -6.895 8.482 -12.091 1.00 11.10 H new ATOM 0 HD2 PRO A 14 -4.275 8.886 -11.460 1.00 15.41 H new ATOM 0 HD3 PRO A 14 -5.553 9.188 -10.300 1.00 15.41 H new ATOM 219 N PHE A 15 -4.724 3.764 -10.318 1.00 13.34 N ATOM 220 CA PHE A 15 -4.088 2.557 -10.847 1.00 2.23 C ATOM 221 C PHE A 15 -5.080 1.387 -10.875 1.00 41.45 C ATOM 222 O PHE A 15 -5.644 1.020 -9.848 1.00 60.31 O ATOM 223 CB PHE A 15 -2.868 2.193 -9.988 1.00 43.05 C ATOM 224 CG PHE A 15 -2.204 0.896 -10.387 1.00 41.54 C ATOM 225 CD1 PHE A 15 -1.461 0.812 -11.557 1.00 63.41 C ATOM 226 CD2 PHE A 15 -2.326 -0.239 -9.594 1.00 31.21 C ATOM 227 CE1 PHE A 15 -0.855 -0.375 -11.925 1.00 2.32 C ATOM 228 CE2 PHE A 15 -1.719 -1.425 -9.960 1.00 44.24 C ATOM 229 CZ PHE A 15 -0.984 -1.494 -11.126 1.00 52.22 C ATOM 0 H PHE A 15 -5.162 3.635 -9.406 1.00 13.34 H new ATOM 0 HA PHE A 15 -3.763 2.755 -11.869 1.00 2.23 H new ATOM 0 HB2 PHE A 15 -2.137 2.999 -10.052 1.00 43.05 H new ATOM 0 HB3 PHE A 15 -3.177 2.126 -8.945 1.00 43.05 H new ATOM 0 HD1 PHE A 15 -1.355 1.683 -12.186 1.00 63.41 H new ATOM 0 HD2 PHE A 15 -2.902 -0.193 -8.681 1.00 31.21 H new ATOM 0 HE1 PHE A 15 -0.280 -0.427 -12.838 1.00 2.32 H new ATOM 0 HE2 PHE A 15 -1.820 -2.299 -9.333 1.00 44.24 H new ATOM 0 HZ PHE A 15 -0.511 -2.421 -11.413 1.00 52.22 H new ATOM 239 N ARG A 16 -5.295 0.812 -12.055 1.00 44.24 N ATOM 240 CA ARG A 16 -6.182 -0.347 -12.201 1.00 2.05 C ATOM 241 C ARG A 16 -5.542 -1.418 -13.094 1.00 44.04 C ATOM 242 O ARG A 16 -4.672 -1.114 -13.916 1.00 40.31 O ATOM 243 CB ARG A 16 -7.550 0.102 -12.755 1.00 73.13 C ATOM 244 CG ARG A 16 -7.497 0.867 -14.084 1.00 65.50 C ATOM 245 CD ARG A 16 -7.333 -0.058 -15.288 1.00 71.25 C ATOM 246 NE ARG A 16 -7.151 0.682 -16.533 1.00 43.44 N ATOM 247 CZ ARG A 16 -6.457 0.244 -17.549 1.00 21.01 C ATOM 248 NH1 ARG A 16 -5.853 -0.898 -17.494 1.00 1.44 N ATOM 249 NH2 ARG A 16 -6.360 0.957 -18.620 1.00 44.14 N ATOM 0 H ARG A 16 -4.869 1.127 -12.926 1.00 44.24 H new ATOM 0 HA ARG A 16 -6.340 -0.794 -11.219 1.00 2.05 H new ATOM 0 HB2 ARG A 16 -8.178 -0.779 -12.886 1.00 73.13 H new ATOM 0 HB3 ARG A 16 -8.037 0.732 -12.010 1.00 73.13 H new ATOM 0 HG2 ARG A 16 -8.411 1.450 -14.200 1.00 65.50 H new ATOM 0 HG3 ARG A 16 -6.668 1.575 -14.059 1.00 65.50 H new ATOM 0 HD2 ARG A 16 -6.476 -0.711 -15.127 1.00 71.25 H new ATOM 0 HD3 ARG A 16 -8.211 -0.699 -15.374 1.00 71.25 H new ATOM 0 HE ARG A 16 -7.593 1.598 -16.615 1.00 43.44 H new ATOM 0 HH11 ARG A 16 -5.915 -1.468 -16.650 1.00 1.44 H new ATOM 0 HH12 ARG A 16 -5.314 -1.229 -18.294 1.00 1.44 H new ATOM 0 HH21 ARG A 16 -6.825 1.863 -18.673 1.00 44.14 H new ATOM 0 HH22 ARG A 16 -5.818 0.615 -19.413 1.00 44.14 H new ATOM 263 N ARG A 17 -5.975 -2.667 -12.946 1.00 31.41 N ATOM 264 CA ARG A 17 -5.431 -3.763 -13.760 1.00 12.15 C ATOM 265 C ARG A 17 -6.524 -4.645 -14.376 1.00 60.12 C ATOM 266 O ARG A 17 -7.631 -4.754 -13.855 1.00 75.22 O ATOM 267 CB ARG A 17 -4.463 -4.626 -12.936 1.00 73.50 C ATOM 268 CG ARG A 17 -3.075 -4.009 -12.773 1.00 63.22 C ATOM 269 CD ARG A 17 -2.086 -5.010 -12.198 1.00 61.33 C ATOM 270 NE ARG A 17 -2.015 -6.229 -13.005 1.00 51.33 N ATOM 271 CZ ARG A 17 -1.859 -7.427 -12.516 1.00 24.33 C ATOM 272 NH1 ARG A 17 -1.737 -7.621 -11.245 1.00 75.14 N ATOM 273 NH2 ARG A 17 -1.815 -8.442 -13.309 1.00 75.20 N ATOM 0 H ARG A 17 -6.693 -2.949 -12.279 1.00 31.41 H new ATOM 0 HA ARG A 17 -4.890 -3.296 -14.583 1.00 12.15 H new ATOM 0 HB2 ARG A 17 -4.893 -4.797 -11.949 1.00 73.50 H new ATOM 0 HB3 ARG A 17 -4.364 -5.601 -13.413 1.00 73.50 H new ATOM 0 HG2 ARG A 17 -2.717 -3.656 -13.740 1.00 63.22 H new ATOM 0 HG3 ARG A 17 -3.136 -3.139 -12.119 1.00 63.22 H new ATOM 0 HD2 ARG A 17 -1.098 -4.553 -12.142 1.00 61.33 H new ATOM 0 HD3 ARG A 17 -2.378 -5.265 -11.179 1.00 61.33 H new ATOM 0 HE ARG A 17 -2.093 -6.135 -14.018 1.00 51.33 H new ATOM 0 HH11 ARG A 17 -1.762 -6.828 -10.603 1.00 75.14 H new ATOM 0 HH12 ARG A 17 -1.616 -8.567 -10.883 1.00 75.14 H new ATOM 0 HH21 ARG A 17 -1.902 -8.306 -14.316 1.00 75.20 H new ATOM 0 HH22 ARG A 17 -1.693 -9.381 -12.929 1.00 75.20 H new ATOM 287 N GLU A 18 -6.187 -5.266 -15.505 1.00 24.24 N ATOM 288 CA GLU A 18 -7.090 -6.187 -16.206 1.00 62.54 C ATOM 289 C GLU A 18 -7.294 -7.478 -15.398 1.00 33.23 C ATOM 290 O GLU A 18 -8.396 -8.024 -15.331 1.00 4.24 O ATOM 291 CB GLU A 18 -6.499 -6.525 -17.581 1.00 73.42 C ATOM 292 CG GLU A 18 -6.195 -5.296 -18.437 1.00 60.23 C ATOM 293 CD GLU A 18 -5.180 -5.583 -19.533 1.00 70.00 C ATOM 294 OE1 GLU A 18 -5.580 -6.031 -20.627 1.00 42.24 O ATOM 295 OE2 GLU A 18 -3.968 -5.376 -19.296 1.00 55.43 O ATOM 0 H GLU A 18 -5.283 -5.148 -15.962 1.00 24.24 H new ATOM 0 HA GLU A 18 -8.059 -5.703 -16.326 1.00 62.54 H new ATOM 0 HB2 GLU A 18 -5.581 -7.096 -17.442 1.00 73.42 H new ATOM 0 HB3 GLU A 18 -7.196 -7.168 -18.118 1.00 73.42 H new ATOM 0 HG2 GLU A 18 -7.119 -4.935 -18.888 1.00 60.23 H new ATOM 0 HG3 GLU A 18 -5.818 -4.497 -17.798 1.00 60.23 H new ATOM 302 N ARG A 19 -6.214 -7.958 -14.787 1.00 4.43 N ATOM 303 CA ARG A 19 -6.244 -9.183 -13.981 1.00 14.10 C ATOM 304 C ARG A 19 -6.695 -8.880 -12.534 1.00 74.11 C ATOM 305 O ARG A 19 -6.057 -8.101 -11.827 1.00 23.53 O ATOM 306 CB ARG A 19 -4.850 -9.837 -14.020 1.00 51.11 C ATOM 307 CG ARG A 19 -4.413 -10.207 -15.443 1.00 10.42 C ATOM 308 CD ARG A 19 -2.908 -10.436 -15.567 1.00 14.20 C ATOM 309 NE ARG A 19 -2.445 -11.635 -14.871 1.00 1.03 N ATOM 310 CZ ARG A 19 -1.225 -12.102 -14.959 1.00 53.41 C ATOM 311 NH1 ARG A 19 -0.331 -11.491 -15.669 1.00 1.53 N ATOM 312 NH2 ARG A 19 -0.891 -13.184 -14.343 1.00 61.54 N ATOM 0 H ARG A 19 -5.297 -7.514 -14.834 1.00 4.43 H new ATOM 0 HA ARG A 19 -6.972 -9.880 -14.396 1.00 14.10 H new ATOM 0 HB2 ARG A 19 -4.120 -9.154 -13.585 1.00 51.11 H new ATOM 0 HB3 ARG A 19 -4.856 -10.734 -13.401 1.00 51.11 H new ATOM 0 HG2 ARG A 19 -4.939 -11.109 -15.755 1.00 10.42 H new ATOM 0 HG3 ARG A 19 -4.711 -9.412 -16.127 1.00 10.42 H new ATOM 0 HD2 ARG A 19 -2.645 -10.513 -16.622 1.00 14.20 H new ATOM 0 HD3 ARG A 19 -2.382 -9.568 -15.170 1.00 14.20 H new ATOM 0 HE ARG A 19 -3.111 -12.137 -14.283 1.00 1.03 H new ATOM 0 HH11 ARG A 19 -0.574 -10.635 -16.168 1.00 1.53 H new ATOM 0 HH12 ARG A 19 0.616 -11.865 -15.729 1.00 1.53 H new ATOM 0 HH21 ARG A 19 -1.580 -13.684 -13.781 1.00 61.54 H new ATOM 0 HH22 ARG A 19 0.062 -13.540 -14.418 1.00 61.54 H new ATOM 326 N PRO A 20 -7.795 -9.521 -12.071 1.00 1.21 N ATOM 327 CA PRO A 20 -8.484 -9.157 -10.802 1.00 32.44 C ATOM 328 C PRO A 20 -7.700 -9.476 -9.513 1.00 63.12 C ATOM 329 O PRO A 20 -8.227 -9.327 -8.410 1.00 51.13 O ATOM 330 CB PRO A 20 -9.771 -9.993 -10.860 1.00 74.30 C ATOM 331 CG PRO A 20 -9.406 -11.177 -11.688 1.00 61.12 C ATOM 332 CD PRO A 20 -8.455 -10.664 -12.739 1.00 2.32 C ATOM 0 HA PRO A 20 -8.628 -8.078 -10.743 1.00 32.44 H new ATOM 0 HB2 PRO A 20 -10.097 -10.290 -9.863 1.00 74.30 H new ATOM 0 HB3 PRO A 20 -10.590 -9.431 -11.309 1.00 74.30 H new ATOM 0 HG2 PRO A 20 -8.937 -11.950 -11.080 1.00 61.12 H new ATOM 0 HG3 PRO A 20 -10.290 -11.623 -12.144 1.00 61.12 H new ATOM 0 HD2 PRO A 20 -7.735 -11.426 -13.037 1.00 2.32 H new ATOM 0 HD3 PRO A 20 -8.982 -10.353 -13.641 1.00 2.32 H new ATOM 340 N GLU A 21 -6.456 -9.925 -9.647 1.00 23.42 N ATOM 341 CA GLU A 21 -5.625 -10.263 -8.483 1.00 4.24 C ATOM 342 C GLU A 21 -5.067 -9.006 -7.784 1.00 30.15 C ATOM 343 O GLU A 21 -4.713 -9.044 -6.601 1.00 13.52 O ATOM 344 CB GLU A 21 -4.471 -11.175 -8.922 1.00 31.43 C ATOM 345 CG GLU A 21 -3.513 -11.551 -7.796 1.00 1.10 C ATOM 346 CD GLU A 21 -2.338 -12.387 -8.277 1.00 33.40 C ATOM 347 OE1 GLU A 21 -1.459 -11.834 -8.972 1.00 61.45 O ATOM 348 OE2 GLU A 21 -2.282 -13.592 -7.953 1.00 34.10 O ATOM 0 H GLU A 21 -5.996 -10.065 -10.547 1.00 23.42 H new ATOM 0 HA GLU A 21 -6.257 -10.783 -7.763 1.00 4.24 H new ATOM 0 HB2 GLU A 21 -4.886 -12.087 -9.352 1.00 31.43 H new ATOM 0 HB3 GLU A 21 -3.909 -10.677 -9.712 1.00 31.43 H new ATOM 0 HG2 GLU A 21 -3.138 -10.642 -7.326 1.00 1.10 H new ATOM 0 HG3 GLU A 21 -4.058 -12.104 -7.031 1.00 1.10 H new ATOM 355 N ASP A 22 -4.992 -7.894 -8.515 1.00 13.42 N ATOM 356 CA ASP A 22 -4.380 -6.665 -7.994 1.00 22.24 C ATOM 357 C ASP A 22 -5.397 -5.810 -7.204 1.00 1.22 C ATOM 358 O ASP A 22 -6.450 -6.303 -6.790 1.00 40.45 O ATOM 359 CB ASP A 22 -3.780 -5.868 -9.161 1.00 72.24 C ATOM 360 CG ASP A 22 -2.429 -5.274 -8.806 1.00 32.24 C ATOM 361 OD1 ASP A 22 -2.392 -4.193 -8.197 1.00 20.45 O ATOM 362 OD2 ASP A 22 -1.396 -5.909 -9.132 1.00 1.20 O ATOM 0 H ASP A 22 -5.346 -7.816 -9.468 1.00 13.42 H new ATOM 0 HA ASP A 22 -3.589 -6.937 -7.295 1.00 22.24 H new ATOM 0 HB2 ASP A 22 -3.673 -6.519 -10.028 1.00 72.24 H new ATOM 0 HB3 ASP A 22 -4.465 -5.069 -9.445 1.00 72.24 H new ATOM 367 N LEU A 23 -5.067 -4.536 -6.977 1.00 70.53 N ATOM 368 CA LEU A 23 -5.943 -3.628 -6.224 1.00 14.24 C ATOM 369 C LEU A 23 -6.058 -2.251 -6.908 1.00 63.23 C ATOM 370 O LEU A 23 -5.063 -1.546 -7.080 1.00 12.52 O ATOM 371 CB LEU A 23 -5.405 -3.461 -4.794 1.00 30.50 C ATOM 372 CG LEU A 23 -6.216 -2.523 -3.882 1.00 45.33 C ATOM 373 CD1 LEU A 23 -7.652 -3.018 -3.730 1.00 42.32 C ATOM 374 CD2 LEU A 23 -5.539 -2.387 -2.518 1.00 24.42 C ATOM 0 H LEU A 23 -4.200 -4.108 -7.303 1.00 70.53 H new ATOM 0 HA LEU A 23 -6.940 -4.067 -6.195 1.00 14.24 H new ATOM 0 HB2 LEU A 23 -5.360 -4.444 -4.325 1.00 30.50 H new ATOM 0 HB3 LEU A 23 -4.383 -3.088 -4.851 1.00 30.50 H new ATOM 0 HG LEU A 23 -6.250 -1.538 -4.348 1.00 45.33 H new ATOM 0 HD11 LEU A 23 -8.204 -2.338 -3.081 1.00 42.32 H new ATOM 0 HD12 LEU A 23 -8.130 -3.054 -4.709 1.00 42.32 H new ATOM 0 HD13 LEU A 23 -7.648 -4.016 -3.291 1.00 42.32 H new ATOM 0 HD21 LEU A 23 -6.125 -1.720 -1.886 1.00 24.42 H new ATOM 0 HD22 LEU A 23 -5.470 -3.367 -2.047 1.00 24.42 H new ATOM 0 HD23 LEU A 23 -4.538 -1.976 -2.648 1.00 24.42 H new ATOM 386 N GLU A 24 -7.282 -1.876 -7.286 1.00 44.33 N ATOM 387 CA GLU A 24 -7.553 -0.557 -7.877 1.00 65.34 C ATOM 388 C GLU A 24 -7.300 0.582 -6.872 1.00 32.21 C ATOM 389 O GLU A 24 -7.965 0.679 -5.837 1.00 31.32 O ATOM 390 CB GLU A 24 -9.003 -0.483 -8.390 1.00 11.44 C ATOM 391 CG GLU A 24 -9.257 -1.194 -9.722 1.00 12.25 C ATOM 392 CD GLU A 24 -8.901 -2.674 -9.712 1.00 61.11 C ATOM 393 OE1 GLU A 24 -9.296 -3.382 -8.756 1.00 71.14 O ATOM 394 OE2 GLU A 24 -8.229 -3.135 -10.664 1.00 3.21 O ATOM 0 H GLU A 24 -8.107 -2.468 -7.194 1.00 44.33 H new ATOM 0 HA GLU A 24 -6.865 -0.430 -8.713 1.00 65.34 H new ATOM 0 HB2 GLU A 24 -9.662 -0.913 -7.635 1.00 11.44 H new ATOM 0 HB3 GLU A 24 -9.281 0.565 -8.497 1.00 11.44 H new ATOM 0 HG2 GLU A 24 -10.309 -1.086 -9.985 1.00 12.25 H new ATOM 0 HG3 GLU A 24 -8.681 -0.698 -10.503 1.00 12.25 H new ATOM 401 N LEU A 25 -6.338 1.443 -7.192 1.00 43.33 N ATOM 402 CA LEU A 25 -6.011 2.603 -6.355 1.00 41.44 C ATOM 403 C LEU A 25 -6.576 3.900 -6.958 1.00 71.35 C ATOM 404 O LEU A 25 -6.469 4.135 -8.159 1.00 20.22 O ATOM 405 CB LEU A 25 -4.487 2.724 -6.199 1.00 42.53 C ATOM 406 CG LEU A 25 -3.774 1.457 -5.702 1.00 21.52 C ATOM 407 CD1 LEU A 25 -2.274 1.711 -5.539 1.00 31.24 C ATOM 408 CD2 LEU A 25 -4.393 0.965 -4.396 1.00 74.02 C ATOM 0 H LEU A 25 -5.765 1.361 -8.032 1.00 43.33 H new ATOM 0 HA LEU A 25 -6.467 2.453 -5.376 1.00 41.44 H new ATOM 0 HB2 LEU A 25 -4.061 3.006 -7.162 1.00 42.53 H new ATOM 0 HB3 LEU A 25 -4.273 3.537 -5.505 1.00 42.53 H new ATOM 0 HG LEU A 25 -3.904 0.674 -6.450 1.00 21.52 H new ATOM 0 HD11 LEU A 25 -1.787 0.802 -5.186 1.00 31.24 H new ATOM 0 HD12 LEU A 25 -1.848 2.002 -6.499 1.00 31.24 H new ATOM 0 HD13 LEU A 25 -2.117 2.511 -4.815 1.00 31.24 H new ATOM 0 HD21 LEU A 25 -3.873 0.067 -4.062 1.00 74.02 H new ATOM 0 HD22 LEU A 25 -4.302 1.741 -3.636 1.00 74.02 H new ATOM 0 HD23 LEU A 25 -5.446 0.736 -4.556 1.00 74.02 H new ATOM 420 N LEU A 26 -7.190 4.735 -6.120 1.00 34.20 N ATOM 421 CA LEU A 26 -7.734 6.027 -6.564 1.00 71.12 C ATOM 422 C LEU A 26 -6.935 7.199 -5.961 1.00 14.14 C ATOM 423 O LEU A 26 -6.454 7.113 -4.833 1.00 1.22 O ATOM 424 CB LEU A 26 -9.226 6.143 -6.190 1.00 74.24 C ATOM 425 CG LEU A 26 -10.215 5.405 -7.116 1.00 71.12 C ATOM 426 CD1 LEU A 26 -10.117 5.934 -8.545 1.00 72.35 C ATOM 427 CD2 LEU A 26 -9.992 3.894 -7.081 1.00 61.24 C ATOM 0 H LEU A 26 -7.325 4.543 -5.127 1.00 34.20 H new ATOM 0 HA LEU A 26 -7.643 6.077 -7.649 1.00 71.12 H new ATOM 0 HB2 LEU A 26 -9.356 5.764 -5.176 1.00 74.24 H new ATOM 0 HB3 LEU A 26 -9.495 7.199 -6.173 1.00 74.24 H new ATOM 0 HG LEU A 26 -11.222 5.599 -6.746 1.00 71.12 H new ATOM 0 HD11 LEU A 26 -10.823 5.399 -9.180 1.00 72.35 H new ATOM 0 HD12 LEU A 26 -10.353 6.998 -8.556 1.00 72.35 H new ATOM 0 HD13 LEU A 26 -9.105 5.783 -8.920 1.00 72.35 H new ATOM 0 HD21 LEU A 26 -10.706 3.405 -7.745 1.00 61.24 H new ATOM 0 HD22 LEU A 26 -8.978 3.668 -7.410 1.00 61.24 H new ATOM 0 HD23 LEU A 26 -10.134 3.529 -6.064 1.00 61.24 H new ATOM 439 N PRO A 27 -6.789 8.319 -6.702 1.00 32.34 N ATOM 440 CA PRO A 27 -5.976 9.465 -6.251 1.00 34.45 C ATOM 441 C PRO A 27 -6.531 10.136 -4.981 1.00 55.00 C ATOM 442 O PRO A 27 -7.694 10.542 -4.933 1.00 73.31 O ATOM 443 CB PRO A 27 -6.027 10.432 -7.447 1.00 70.22 C ATOM 444 CG PRO A 27 -7.268 10.058 -8.185 1.00 20.30 C ATOM 445 CD PRO A 27 -7.415 8.570 -8.014 1.00 52.44 C ATOM 0 HA PRO A 27 -4.967 9.158 -5.975 1.00 34.45 H new ATOM 0 HB2 PRO A 27 -6.061 11.470 -7.116 1.00 70.22 H new ATOM 0 HB3 PRO A 27 -5.144 10.328 -8.078 1.00 70.22 H new ATOM 0 HG2 PRO A 27 -8.134 10.585 -7.785 1.00 20.30 H new ATOM 0 HG3 PRO A 27 -7.191 10.325 -9.239 1.00 20.30 H new ATOM 0 HD2 PRO A 27 -8.461 8.265 -8.026 1.00 52.44 H new ATOM 0 HD3 PRO A 27 -6.913 8.021 -8.811 1.00 52.44 H new ATOM 453 N GLY A 28 -5.688 10.244 -3.956 1.00 11.31 N ATOM 454 CA GLY A 28 -6.087 10.887 -2.709 1.00 54.44 C ATOM 455 C GLY A 28 -6.694 9.929 -1.684 1.00 24.33 C ATOM 456 O GLY A 28 -7.144 10.360 -0.618 1.00 32.21 O ATOM 0 H GLY A 28 -4.729 9.896 -3.965 1.00 11.31 H new ATOM 0 HA2 GLY A 28 -5.217 11.372 -2.267 1.00 54.44 H new ATOM 0 HA3 GLY A 28 -6.810 11.671 -2.931 1.00 54.44 H new ATOM 460 N ASP A 29 -6.715 8.635 -1.997 1.00 2.33 N ATOM 461 CA ASP A 29 -7.267 7.627 -1.082 1.00 52.35 C ATOM 462 C ASP A 29 -6.164 7.023 -0.191 1.00 63.02 C ATOM 463 O ASP A 29 -5.002 6.922 -0.600 1.00 43.12 O ATOM 464 CB ASP A 29 -7.974 6.530 -1.887 1.00 53.34 C ATOM 465 CG ASP A 29 -8.824 5.625 -1.013 1.00 30.31 C ATOM 466 OD1 ASP A 29 -9.901 6.071 -0.569 1.00 75.51 O ATOM 467 OD2 ASP A 29 -8.430 4.468 -0.778 1.00 22.32 O ATOM 0 H ASP A 29 -6.358 8.256 -2.874 1.00 2.33 H new ATOM 0 HA ASP A 29 -7.992 8.111 -0.427 1.00 52.35 H new ATOM 0 HB2 ASP A 29 -8.604 6.991 -2.648 1.00 53.34 H new ATOM 0 HB3 ASP A 29 -7.229 5.930 -2.410 1.00 53.34 H new ATOM 472 N VAL A 30 -6.532 6.622 1.027 1.00 10.13 N ATOM 473 CA VAL A 30 -5.563 6.111 2.003 1.00 52.00 C ATOM 474 C VAL A 30 -5.537 4.571 2.036 1.00 62.34 C ATOM 475 O VAL A 30 -6.576 3.915 2.092 1.00 2.24 O ATOM 476 CB VAL A 30 -5.868 6.656 3.423 1.00 2.05 C ATOM 477 CG1 VAL A 30 -4.868 6.114 4.444 1.00 22.22 C ATOM 478 CG2 VAL A 30 -5.870 8.187 3.426 1.00 13.03 C ATOM 0 H VAL A 30 -7.495 6.641 1.363 1.00 10.13 H new ATOM 0 HA VAL A 30 -4.581 6.462 1.686 1.00 52.00 H new ATOM 0 HB VAL A 30 -6.862 6.312 3.710 1.00 2.05 H new ATOM 0 HG11 VAL A 30 -5.104 6.511 5.431 1.00 22.22 H new ATOM 0 HG12 VAL A 30 -4.926 5.026 4.468 1.00 22.22 H new ATOM 0 HG13 VAL A 30 -3.860 6.418 4.162 1.00 22.22 H new ATOM 0 HG21 VAL A 30 -6.086 8.549 4.431 1.00 13.03 H new ATOM 0 HG22 VAL A 30 -4.893 8.553 3.111 1.00 13.03 H new ATOM 0 HG23 VAL A 30 -6.633 8.551 2.738 1.00 13.03 H new ATOM 488 N LEU A 31 -4.331 4.007 1.999 1.00 60.31 N ATOM 489 CA LEU A 31 -4.141 2.553 2.032 1.00 55.13 C ATOM 490 C LEU A 31 -3.669 2.090 3.420 1.00 34.24 C ATOM 491 O LEU A 31 -2.584 2.456 3.873 1.00 62.24 O ATOM 492 CB LEU A 31 -3.120 2.113 0.964 1.00 1.21 C ATOM 493 CG LEU A 31 -3.513 2.381 -0.504 1.00 43.43 C ATOM 494 CD1 LEU A 31 -3.506 3.876 -0.824 1.00 5.22 C ATOM 495 CD2 LEU A 31 -2.582 1.628 -1.451 1.00 21.14 C ATOM 0 H LEU A 31 -3.462 4.538 1.946 1.00 60.31 H new ATOM 0 HA LEU A 31 -5.104 2.089 1.817 1.00 55.13 H new ATOM 0 HB2 LEU A 31 -2.175 2.619 1.164 1.00 1.21 H new ATOM 0 HB3 LEU A 31 -2.940 1.044 1.081 1.00 1.21 H new ATOM 0 HG LEU A 31 -4.530 2.017 -0.646 1.00 43.43 H new ATOM 0 HD11 LEU A 31 -3.788 4.026 -1.866 1.00 5.22 H new ATOM 0 HD12 LEU A 31 -4.218 4.390 -0.178 1.00 5.22 H new ATOM 0 HD13 LEU A 31 -2.507 4.279 -0.656 1.00 5.22 H new ATOM 0 HD21 LEU A 31 -2.873 1.828 -2.482 1.00 21.14 H new ATOM 0 HD22 LEU A 31 -1.556 1.960 -1.293 1.00 21.14 H new ATOM 0 HD23 LEU A 31 -2.652 0.558 -1.255 1.00 21.14 H new ATOM 507 N VAL A 32 -4.483 1.283 4.091 1.00 5.32 N ATOM 508 CA VAL A 32 -4.162 0.796 5.438 1.00 65.42 C ATOM 509 C VAL A 32 -3.458 -0.575 5.395 1.00 11.14 C ATOM 510 O VAL A 32 -4.024 -1.565 4.925 1.00 51.24 O ATOM 511 CB VAL A 32 -5.440 0.687 6.310 1.00 22.44 C ATOM 512 CG1 VAL A 32 -5.096 0.253 7.735 1.00 50.14 C ATOM 513 CG2 VAL A 32 -6.210 2.009 6.314 1.00 52.33 C ATOM 0 H VAL A 32 -5.375 0.948 3.727 1.00 5.32 H new ATOM 0 HA VAL A 32 -3.483 1.524 5.882 1.00 65.42 H new ATOM 0 HB VAL A 32 -6.082 -0.078 5.872 1.00 22.44 H new ATOM 0 HG11 VAL A 32 -6.010 0.184 8.325 1.00 50.14 H new ATOM 0 HG12 VAL A 32 -4.606 -0.720 7.711 1.00 50.14 H new ATOM 0 HG13 VAL A 32 -4.427 0.985 8.187 1.00 50.14 H new ATOM 0 HG21 VAL A 32 -7.102 1.908 6.932 1.00 52.33 H new ATOM 0 HG22 VAL A 32 -5.576 2.798 6.718 1.00 52.33 H new ATOM 0 HG23 VAL A 32 -6.501 2.264 5.295 1.00 52.33 H new ATOM 523 N VAL A 33 -2.220 -0.626 5.889 1.00 11.10 N ATOM 524 CA VAL A 33 -1.446 -1.873 5.920 1.00 22.53 C ATOM 525 C VAL A 33 -1.153 -2.317 7.365 1.00 51.24 C ATOM 526 O VAL A 33 -0.523 -1.589 8.137 1.00 11.52 O ATOM 527 CB VAL A 33 -0.113 -1.721 5.146 1.00 62.43 C ATOM 528 CG1 VAL A 33 0.705 -3.011 5.202 1.00 73.32 C ATOM 529 CG2 VAL A 33 -0.374 -1.308 3.698 1.00 44.31 C ATOM 0 H VAL A 33 -1.729 0.181 6.274 1.00 11.10 H new ATOM 0 HA VAL A 33 -2.053 -2.638 5.436 1.00 22.53 H new ATOM 0 HB VAL A 33 0.468 -0.934 5.627 1.00 62.43 H new ATOM 0 HG11 VAL A 33 1.635 -2.876 4.651 1.00 73.32 H new ATOM 0 HG12 VAL A 33 0.930 -3.254 6.240 1.00 73.32 H new ATOM 0 HG13 VAL A 33 0.133 -3.824 4.755 1.00 73.32 H new ATOM 0 HG21 VAL A 33 0.575 -1.207 3.172 1.00 44.31 H new ATOM 0 HG22 VAL A 33 -0.982 -2.068 3.207 1.00 44.31 H new ATOM 0 HG23 VAL A 33 -0.902 -0.354 3.681 1.00 44.31 H new ATOM 539 N SER A 34 -1.617 -3.514 7.722 1.00 53.32 N ATOM 540 CA SER A 34 -1.407 -4.072 9.068 1.00 53.52 C ATOM 541 C SER A 34 0.074 -4.400 9.326 1.00 35.42 C ATOM 542 O SER A 34 0.805 -4.779 8.410 1.00 24.15 O ATOM 543 CB SER A 34 -2.255 -5.340 9.257 1.00 34.40 C ATOM 544 OG SER A 34 -3.633 -5.070 9.060 1.00 52.42 O ATOM 0 H SER A 34 -2.145 -4.123 7.097 1.00 53.32 H new ATOM 0 HA SER A 34 -1.716 -3.313 9.786 1.00 53.52 H new ATOM 0 HB2 SER A 34 -1.928 -6.107 8.555 1.00 34.40 H new ATOM 0 HB3 SER A 34 -2.100 -5.738 10.260 1.00 34.40 H new ATOM 0 HG SER A 34 -4.149 -5.894 9.185 1.00 52.42 H new ATOM 550 N ARG A 35 0.499 -4.279 10.585 1.00 0.44 N ATOM 551 CA ARG A 35 1.896 -4.526 10.976 1.00 3.31 C ATOM 552 C ARG A 35 2.365 -5.927 10.543 1.00 21.14 C ATOM 553 O ARG A 35 3.437 -6.079 9.953 1.00 31.44 O ATOM 554 CB ARG A 35 2.043 -4.369 12.499 1.00 23.04 C ATOM 555 CG ARG A 35 3.471 -4.530 13.020 1.00 0.01 C ATOM 556 CD ARG A 35 4.394 -3.421 12.526 1.00 61.42 C ATOM 557 NE ARG A 35 3.958 -2.097 12.973 1.00 60.50 N ATOM 558 CZ ARG A 35 4.769 -1.110 13.239 1.00 13.12 C ATOM 559 NH1 ARG A 35 6.053 -1.266 13.156 1.00 62.50 N ATOM 560 NH2 ARG A 35 4.288 0.034 13.598 1.00 13.34 N ATOM 0 H ARG A 35 -0.107 -4.009 11.360 1.00 0.44 H new ATOM 0 HA ARG A 35 2.524 -3.794 10.469 1.00 3.31 H new ATOM 0 HB2 ARG A 35 1.674 -3.385 12.787 1.00 23.04 H new ATOM 0 HB3 ARG A 35 1.406 -5.104 12.990 1.00 23.04 H new ATOM 0 HG2 ARG A 35 3.460 -4.532 14.110 1.00 0.01 H new ATOM 0 HG3 ARG A 35 3.865 -5.496 12.703 1.00 0.01 H new ATOM 0 HD2 ARG A 35 5.407 -3.608 12.883 1.00 61.42 H new ATOM 0 HD3 ARG A 35 4.432 -3.440 11.437 1.00 61.42 H new ATOM 0 HE ARG A 35 2.957 -1.936 13.084 1.00 60.50 H new ATOM 0 HH11 ARG A 35 6.440 -2.168 12.880 1.00 62.50 H new ATOM 0 HH12 ARG A 35 6.676 -0.486 13.367 1.00 62.50 H new ATOM 0 HH21 ARG A 35 3.279 0.162 13.672 1.00 13.34 H new ATOM 0 HH22 ARG A 35 4.917 0.809 13.807 1.00 13.34 H new ATOM 574 N ALA A 36 1.542 -6.940 10.824 1.00 60.13 N ATOM 575 CA ALA A 36 1.861 -8.338 10.489 1.00 14.31 C ATOM 576 C ALA A 36 2.223 -8.519 9.005 1.00 12.43 C ATOM 577 O ALA A 36 3.041 -9.373 8.659 1.00 3.42 O ATOM 578 CB ALA A 36 0.696 -9.246 10.863 1.00 75.01 C ATOM 0 H ALA A 36 0.641 -6.820 11.287 1.00 60.13 H new ATOM 0 HA ALA A 36 2.741 -8.616 11.069 1.00 14.31 H new ATOM 0 HB1 ALA A 36 0.943 -10.277 10.611 1.00 75.01 H new ATOM 0 HB2 ALA A 36 0.505 -9.170 11.933 1.00 75.01 H new ATOM 0 HB3 ALA A 36 -0.194 -8.941 10.313 1.00 75.01 H new ATOM 584 N ALA A 37 1.614 -7.715 8.135 1.00 63.32 N ATOM 585 CA ALA A 37 1.906 -7.772 6.699 1.00 0.50 C ATOM 586 C ALA A 37 3.367 -7.393 6.418 1.00 75.41 C ATOM 587 O ALA A 37 4.081 -8.108 5.717 1.00 5.12 O ATOM 588 CB ALA A 37 0.959 -6.861 5.928 1.00 3.03 C ATOM 0 H ALA A 37 0.917 -7.018 8.396 1.00 63.32 H new ATOM 0 HA ALA A 37 1.754 -8.798 6.362 1.00 0.50 H new ATOM 0 HB1 ALA A 37 1.189 -6.914 4.864 1.00 3.03 H new ATOM 0 HB2 ALA A 37 -0.070 -7.181 6.094 1.00 3.03 H new ATOM 0 HB3 ALA A 37 1.080 -5.834 6.274 1.00 3.03 H new ATOM 594 N LEU A 38 3.805 -6.270 6.986 1.00 41.13 N ATOM 595 CA LEU A 38 5.193 -5.814 6.837 1.00 12.23 C ATOM 596 C LEU A 38 6.172 -6.793 7.506 1.00 42.33 C ATOM 597 O LEU A 38 7.284 -7.013 7.015 1.00 41.25 O ATOM 598 CB LEU A 38 5.357 -4.408 7.429 1.00 71.23 C ATOM 599 CG LEU A 38 4.498 -3.319 6.762 1.00 22.20 C ATOM 600 CD1 LEU A 38 4.740 -1.965 7.419 1.00 41.22 C ATOM 601 CD2 LEU A 38 4.779 -3.248 5.258 1.00 54.01 C ATOM 0 H LEU A 38 3.221 -5.657 7.554 1.00 41.13 H new ATOM 0 HA LEU A 38 5.426 -5.778 5.773 1.00 12.23 H new ATOM 0 HB2 LEU A 38 5.110 -4.445 8.490 1.00 71.23 H new ATOM 0 HB3 LEU A 38 6.405 -4.119 7.356 1.00 71.23 H new ATOM 0 HG LEU A 38 3.449 -3.583 6.899 1.00 22.20 H new ATOM 0 HD11 LEU A 38 4.123 -1.209 6.933 1.00 41.22 H new ATOM 0 HD12 LEU A 38 4.479 -2.021 8.476 1.00 41.22 H new ATOM 0 HD13 LEU A 38 5.791 -1.695 7.319 1.00 41.22 H new ATOM 0 HD21 LEU A 38 4.160 -2.471 4.809 1.00 54.01 H new ATOM 0 HD22 LEU A 38 5.831 -3.014 5.095 1.00 54.01 H new ATOM 0 HD23 LEU A 38 4.546 -4.209 4.799 1.00 54.01 H new ATOM 613 N GLN A 39 5.748 -7.388 8.623 1.00 72.02 N ATOM 614 CA GLN A 39 6.542 -8.422 9.296 1.00 40.20 C ATOM 615 C GLN A 39 6.769 -9.625 8.365 1.00 23.33 C ATOM 616 O GLN A 39 7.878 -10.152 8.270 1.00 32.13 O ATOM 617 CB GLN A 39 5.846 -8.883 10.588 1.00 0.43 C ATOM 618 CG GLN A 39 5.557 -7.762 11.585 1.00 35.42 C ATOM 619 CD GLN A 39 6.805 -7.033 12.054 1.00 53.44 C ATOM 620 OE1 GLN A 39 7.215 -6.035 11.473 1.00 62.22 O ATOM 621 NE2 GLN A 39 7.418 -7.526 13.109 1.00 11.13 N ATOM 0 H GLN A 39 4.862 -7.173 9.081 1.00 72.02 H new ATOM 0 HA GLN A 39 7.510 -7.991 9.552 1.00 40.20 H new ATOM 0 HB2 GLN A 39 4.907 -9.370 10.326 1.00 0.43 H new ATOM 0 HB3 GLN A 39 6.470 -9.633 11.074 1.00 0.43 H new ATOM 0 HG2 GLN A 39 4.877 -7.044 11.126 1.00 35.42 H new ATOM 0 HG3 GLN A 39 5.043 -8.180 12.451 1.00 35.42 H new ATOM 0 HE21 GLN A 39 7.050 -8.359 13.570 1.00 11.13 H new ATOM 0 HE22 GLN A 39 8.261 -7.076 13.466 1.00 11.13 H new ATOM 630 N ALA A 40 5.709 -10.044 7.672 1.00 35.11 N ATOM 631 CA ALA A 40 5.795 -11.141 6.702 1.00 0.02 C ATOM 632 C ALA A 40 6.709 -10.774 5.520 1.00 3.13 C ATOM 633 O ALA A 40 7.495 -11.599 5.045 1.00 25.01 O ATOM 634 CB ALA A 40 4.401 -11.517 6.207 1.00 3.32 C ATOM 0 H ALA A 40 4.777 -9.640 7.764 1.00 35.11 H new ATOM 0 HA ALA A 40 6.235 -12.003 7.204 1.00 0.02 H new ATOM 0 HB1 ALA A 40 4.478 -12.332 5.488 1.00 3.32 H new ATOM 0 HB2 ALA A 40 3.789 -11.834 7.051 1.00 3.32 H new ATOM 0 HB3 ALA A 40 3.940 -10.653 5.728 1.00 3.32 H new ATOM 640 N LEU A 41 6.603 -9.528 5.053 1.00 41.12 N ATOM 641 CA LEU A 41 7.487 -9.013 3.995 1.00 52.45 C ATOM 642 C LEU A 41 8.957 -8.989 4.455 1.00 13.45 C ATOM 643 O LEU A 41 9.877 -8.912 3.639 1.00 43.20 O ATOM 644 CB LEU A 41 7.055 -7.595 3.584 1.00 14.34 C ATOM 645 CG LEU A 41 5.640 -7.470 2.989 1.00 1.33 C ATOM 646 CD1 LEU A 41 5.291 -6.007 2.735 1.00 31.41 C ATOM 647 CD2 LEU A 41 5.512 -8.281 1.701 1.00 33.32 C ATOM 0 H LEU A 41 5.915 -8.854 5.388 1.00 41.12 H new ATOM 0 HA LEU A 41 7.404 -9.683 3.139 1.00 52.45 H new ATOM 0 HB2 LEU A 41 7.119 -6.948 4.459 1.00 14.34 H new ATOM 0 HB3 LEU A 41 7.770 -7.215 2.854 1.00 14.34 H new ATOM 0 HG LEU A 41 4.934 -7.874 3.715 1.00 1.33 H new ATOM 0 HD11 LEU A 41 4.288 -5.940 2.315 1.00 31.41 H new ATOM 0 HD12 LEU A 41 5.328 -5.456 3.675 1.00 31.41 H new ATOM 0 HD13 LEU A 41 6.007 -5.578 2.034 1.00 31.41 H new ATOM 0 HD21 LEU A 41 4.503 -8.175 1.303 1.00 33.32 H new ATOM 0 HD22 LEU A 41 6.232 -7.916 0.968 1.00 33.32 H new ATOM 0 HD23 LEU A 41 5.710 -9.332 1.912 1.00 33.32 H new ATOM 659 N GLY A 42 9.165 -9.051 5.769 1.00 61.44 N ATOM 660 CA GLY A 42 10.513 -9.010 6.320 1.00 73.23 C ATOM 661 C GLY A 42 11.081 -7.595 6.378 1.00 32.02 C ATOM 662 O GLY A 42 12.270 -7.382 6.122 1.00 13.31 O ATOM 0 H GLY A 42 8.423 -9.129 6.464 1.00 61.44 H new ATOM 0 HA2 GLY A 42 10.504 -9.435 7.324 1.00 73.23 H new ATOM 0 HA3 GLY A 42 11.168 -9.636 5.714 1.00 73.23 H new ATOM 666 N VAL A 43 10.231 -6.626 6.719 1.00 43.10 N ATOM 667 CA VAL A 43 10.636 -5.217 6.782 1.00 14.42 C ATOM 668 C VAL A 43 10.813 -4.740 8.233 1.00 70.44 C ATOM 669 O VAL A 43 9.898 -4.843 9.051 1.00 74.31 O ATOM 670 CB VAL A 43 9.600 -4.303 6.070 1.00 12.03 C ATOM 671 CG1 VAL A 43 10.036 -2.836 6.118 1.00 21.51 C ATOM 672 CG2 VAL A 43 9.380 -4.762 4.628 1.00 3.32 C ATOM 0 H VAL A 43 9.253 -6.790 6.957 1.00 43.10 H new ATOM 0 HA VAL A 43 11.595 -5.145 6.269 1.00 14.42 H new ATOM 0 HB VAL A 43 8.652 -4.385 6.602 1.00 12.03 H new ATOM 0 HG11 VAL A 43 9.293 -2.219 5.613 1.00 21.51 H new ATOM 0 HG12 VAL A 43 10.127 -2.517 7.156 1.00 21.51 H new ATOM 0 HG13 VAL A 43 10.999 -2.726 5.619 1.00 21.51 H new ATOM 0 HG21 VAL A 43 8.652 -4.110 4.146 1.00 3.32 H new ATOM 0 HG22 VAL A 43 10.323 -4.717 4.084 1.00 3.32 H new ATOM 0 HG23 VAL A 43 9.008 -5.787 4.625 1.00 3.32 H new ATOM 682 N ALA A 44 12.006 -4.244 8.551 1.00 10.42 N ATOM 683 CA ALA A 44 12.266 -3.619 9.851 1.00 51.10 C ATOM 684 C ALA A 44 11.822 -2.149 9.833 1.00 50.12 C ATOM 685 O ALA A 44 12.061 -1.441 8.847 1.00 12.01 O ATOM 686 CB ALA A 44 13.746 -3.728 10.205 1.00 54.24 C ATOM 0 H ALA A 44 12.812 -4.262 7.926 1.00 10.42 H new ATOM 0 HA ALA A 44 11.690 -4.144 10.613 1.00 51.10 H new ATOM 0 HB1 ALA A 44 13.924 -3.260 11.173 1.00 54.24 H new ATOM 0 HB2 ALA A 44 14.032 -4.779 10.252 1.00 54.24 H new ATOM 0 HB3 ALA A 44 14.340 -3.224 9.443 1.00 54.24 H new ATOM 692 N GLU A 45 11.198 -1.691 10.919 1.00 63.24 N ATOM 693 CA GLU A 45 10.618 -0.340 10.967 1.00 62.02 C ATOM 694 C GLU A 45 11.651 0.730 10.578 1.00 12.32 C ATOM 695 O GLU A 45 12.675 0.901 11.243 1.00 21.41 O ATOM 696 CB GLU A 45 10.039 -0.040 12.357 1.00 15.23 C ATOM 697 CG GLU A 45 9.246 1.265 12.415 1.00 22.12 C ATOM 698 CD GLU A 45 8.604 1.509 13.770 1.00 13.35 C ATOM 699 OE1 GLU A 45 7.665 0.768 14.126 1.00 51.40 O ATOM 700 OE2 GLU A 45 9.031 2.441 14.484 1.00 54.55 O ATOM 0 H GLU A 45 11.079 -2.230 11.777 1.00 63.24 H new ATOM 0 HA GLU A 45 9.808 -0.308 10.239 1.00 62.02 H new ATOM 0 HB2 GLU A 45 9.392 -0.864 12.658 1.00 15.23 H new ATOM 0 HB3 GLU A 45 10.854 0.006 13.080 1.00 15.23 H new ATOM 0 HG2 GLU A 45 9.909 2.097 12.178 1.00 22.12 H new ATOM 0 HG3 GLU A 45 8.470 1.247 11.649 1.00 22.12 H new ATOM 707 N GLY A 46 11.368 1.439 9.490 1.00 21.31 N ATOM 708 CA GLY A 46 12.316 2.394 8.922 1.00 15.05 C ATOM 709 C GLY A 46 12.507 2.193 7.419 1.00 10.55 C ATOM 710 O GLY A 46 13.070 3.051 6.731 1.00 30.04 O ATOM 0 H GLY A 46 10.486 1.370 8.982 1.00 21.31 H new ATOM 0 HA2 GLY A 46 11.964 3.408 9.109 1.00 15.05 H new ATOM 0 HA3 GLY A 46 13.277 2.292 9.426 1.00 15.05 H new ATOM 714 N GLY A 47 12.036 1.055 6.912 1.00 1.01 N ATOM 715 CA GLY A 47 12.126 0.755 5.485 1.00 52.23 C ATOM 716 C GLY A 47 10.825 1.039 4.738 1.00 72.30 C ATOM 717 O GLY A 47 10.838 1.522 3.604 1.00 32.34 O ATOM 0 H GLY A 47 11.589 0.326 7.468 1.00 1.01 H new ATOM 0 HA2 GLY A 47 12.929 1.345 5.044 1.00 52.23 H new ATOM 0 HA3 GLY A 47 12.393 -0.294 5.355 1.00 52.23 H new ATOM 721 N GLU A 48 9.700 0.732 5.379 1.00 72.43 N ATOM 722 CA GLU A 48 8.365 0.992 4.815 1.00 51.11 C ATOM 723 C GLU A 48 8.164 2.484 4.495 1.00 75.11 C ATOM 724 O GLU A 48 7.343 2.845 3.648 1.00 24.45 O ATOM 725 CB GLU A 48 7.272 0.506 5.784 1.00 55.32 C ATOM 726 CG GLU A 48 7.183 1.287 7.101 1.00 74.13 C ATOM 727 CD GLU A 48 8.493 1.320 7.877 1.00 30.01 C ATOM 728 OE1 GLU A 48 9.073 0.242 8.128 1.00 0.54 O ATOM 729 OE2 GLU A 48 8.970 2.423 8.207 1.00 44.03 O ATOM 0 H GLU A 48 9.681 0.297 6.301 1.00 72.43 H new ATOM 0 HA GLU A 48 8.288 0.437 3.880 1.00 51.11 H new ATOM 0 HB2 GLU A 48 6.308 0.563 5.279 1.00 55.32 H new ATOM 0 HB3 GLU A 48 7.451 -0.545 6.013 1.00 55.32 H new ATOM 0 HG2 GLU A 48 6.870 2.309 6.888 1.00 74.13 H new ATOM 0 HG3 GLU A 48 6.410 0.841 7.727 1.00 74.13 H new ATOM 736 N ARG A 49 8.924 3.348 5.177 1.00 62.42 N ATOM 737 CA ARG A 49 8.896 4.791 4.909 1.00 50.32 C ATOM 738 C ARG A 49 9.181 5.101 3.428 1.00 30.50 C ATOM 739 O ARG A 49 8.830 6.170 2.930 1.00 24.22 O ATOM 740 CB ARG A 49 9.910 5.527 5.796 1.00 22.42 C ATOM 741 CG ARG A 49 9.624 5.412 7.290 1.00 23.13 C ATOM 742 CD ARG A 49 10.572 6.274 8.114 1.00 22.11 C ATOM 743 NE ARG A 49 10.433 7.693 7.795 1.00 33.44 N ATOM 744 CZ ARG A 49 11.430 8.521 7.653 1.00 74.10 C ATOM 745 NH1 ARG A 49 12.653 8.111 7.745 1.00 43.12 N ATOM 746 NH2 ARG A 49 11.197 9.763 7.405 1.00 12.25 N ATOM 0 H ARG A 49 9.567 3.073 5.920 1.00 62.42 H new ATOM 0 HA ARG A 49 7.891 5.142 5.143 1.00 50.32 H new ATOM 0 HB2 ARG A 49 10.906 5.133 5.596 1.00 22.42 H new ATOM 0 HB3 ARG A 49 9.922 6.581 5.519 1.00 22.42 H new ATOM 0 HG2 ARG A 49 8.595 5.712 7.488 1.00 23.13 H new ATOM 0 HG3 ARG A 49 9.717 4.371 7.599 1.00 23.13 H new ATOM 0 HD2 ARG A 49 10.374 6.119 9.175 1.00 22.11 H new ATOM 0 HD3 ARG A 49 11.600 5.960 7.932 1.00 22.11 H new ATOM 0 HE ARG A 49 9.490 8.062 7.675 1.00 33.44 H new ATOM 0 HH11 ARG A 49 12.848 7.127 7.931 1.00 43.12 H new ATOM 0 HH12 ARG A 49 13.422 8.771 7.631 1.00 43.12 H new ATOM 0 HH21 ARG A 49 10.236 10.095 7.321 1.00 12.25 H new ATOM 0 HH22 ARG A 49 11.973 10.415 7.293 1.00 12.25 H new ATOM 760 N CYS A 50 9.832 4.167 2.733 1.00 64.21 N ATOM 761 CA CYS A 50 10.069 4.295 1.289 1.00 63.41 C ATOM 762 C CYS A 50 9.336 3.188 0.509 1.00 53.13 C ATOM 763 O CYS A 50 9.930 2.167 0.144 1.00 5.52 O ATOM 764 CB CYS A 50 11.573 4.260 0.982 1.00 43.35 C ATOM 765 SG CYS A 50 12.434 2.796 1.607 1.00 41.33 S ATOM 0 H CYS A 50 10.206 3.312 3.145 1.00 64.21 H new ATOM 0 HA CYS A 50 9.672 5.258 0.968 1.00 63.41 H new ATOM 0 HB2 CYS A 50 11.712 4.314 -0.098 1.00 43.35 H new ATOM 0 HB3 CYS A 50 12.038 5.149 1.408 1.00 43.35 H new ATOM 0 HG CYS A 50 11.778 2.305 2.616 1.00 41.33 H new ATOM 771 N PRO A 51 8.021 3.374 0.251 1.00 31.32 N ATOM 772 CA PRO A 51 7.186 2.374 -0.444 1.00 72.15 C ATOM 773 C PRO A 51 7.753 1.956 -1.807 1.00 62.11 C ATOM 774 O PRO A 51 7.747 0.774 -2.161 1.00 70.34 O ATOM 775 CB PRO A 51 5.840 3.095 -0.626 1.00 2.22 C ATOM 776 CG PRO A 51 5.815 4.138 0.438 1.00 1.21 C ATOM 777 CD PRO A 51 7.243 4.573 0.625 1.00 62.55 C ATOM 0 HA PRO A 51 7.123 1.447 0.125 1.00 72.15 H new ATOM 0 HB2 PRO A 51 5.762 3.541 -1.618 1.00 2.22 H new ATOM 0 HB3 PRO A 51 5.004 2.403 -0.521 1.00 2.22 H new ATOM 0 HG2 PRO A 51 5.186 4.979 0.146 1.00 1.21 H new ATOM 0 HG3 PRO A 51 5.404 3.740 1.365 1.00 1.21 H new ATOM 0 HD2 PRO A 51 7.489 5.425 -0.009 1.00 62.55 H new ATOM 0 HD3 PRO A 51 7.439 4.874 1.654 1.00 62.55 H new ATOM 785 N GLN A 52 8.243 2.933 -2.571 1.00 61.55 N ATOM 786 CA GLN A 52 8.812 2.671 -3.897 1.00 44.41 C ATOM 787 C GLN A 52 10.028 1.729 -3.810 1.00 71.34 C ATOM 788 O GLN A 52 10.282 0.937 -4.722 1.00 33.54 O ATOM 789 CB GLN A 52 9.207 3.994 -4.569 1.00 13.03 C ATOM 790 CG GLN A 52 9.616 3.848 -6.032 1.00 63.14 C ATOM 791 CD GLN A 52 9.960 5.178 -6.685 1.00 75.32 C ATOM 792 OE1 GLN A 52 9.441 6.223 -6.309 1.00 62.42 O ATOM 793 NE2 GLN A 52 10.827 5.149 -7.677 1.00 62.42 N ATOM 0 H GLN A 52 8.258 3.915 -2.295 1.00 61.55 H new ATOM 0 HA GLN A 52 8.052 2.176 -4.501 1.00 44.41 H new ATOM 0 HB2 GLN A 52 8.368 4.687 -4.504 1.00 13.03 H new ATOM 0 HB3 GLN A 52 10.033 4.439 -4.014 1.00 13.03 H new ATOM 0 HG2 GLN A 52 10.477 3.183 -6.099 1.00 63.14 H new ATOM 0 HG3 GLN A 52 8.804 3.376 -6.586 1.00 63.14 H new ATOM 0 HE21 GLN A 52 11.241 4.263 -7.966 1.00 62.42 H new ATOM 0 HE22 GLN A 52 11.084 6.013 -8.155 1.00 62.42 H new ATOM 802 N SER A 53 10.765 1.810 -2.699 1.00 43.33 N ATOM 803 CA SER A 53 11.933 0.943 -2.468 1.00 64.42 C ATOM 804 C SER A 53 11.499 -0.490 -2.129 1.00 52.54 C ATOM 805 O SER A 53 12.124 -1.462 -2.553 1.00 74.11 O ATOM 806 CB SER A 53 12.808 1.500 -1.335 1.00 55.33 C ATOM 807 OG SER A 53 13.961 0.699 -1.120 1.00 31.22 O ATOM 0 H SER A 53 10.576 2.467 -1.942 1.00 43.33 H new ATOM 0 HA SER A 53 12.515 0.923 -3.390 1.00 64.42 H new ATOM 0 HB2 SER A 53 13.112 2.518 -1.577 1.00 55.33 H new ATOM 0 HB3 SER A 53 12.224 1.552 -0.416 1.00 55.33 H new ATOM 0 HG SER A 53 14.495 1.083 -0.394 1.00 31.22 H new ATOM 813 N VAL A 54 10.421 -0.614 -1.354 1.00 34.34 N ATOM 814 CA VAL A 54 9.867 -1.927 -1.006 1.00 13.22 C ATOM 815 C VAL A 54 9.281 -2.625 -2.247 1.00 1.11 C ATOM 816 O VAL A 54 9.446 -3.831 -2.435 1.00 63.33 O ATOM 817 CB VAL A 54 8.774 -1.809 0.087 1.00 20.42 C ATOM 818 CG1 VAL A 54 8.276 -3.188 0.522 1.00 73.04 C ATOM 819 CG2 VAL A 54 9.291 -1.015 1.287 1.00 2.05 C ATOM 0 H VAL A 54 9.914 0.176 -0.955 1.00 34.34 H new ATOM 0 HA VAL A 54 10.688 -2.527 -0.614 1.00 13.22 H new ATOM 0 HB VAL A 54 7.930 -1.269 -0.342 1.00 20.42 H new ATOM 0 HG11 VAL A 54 7.510 -3.073 1.289 1.00 73.04 H new ATOM 0 HG12 VAL A 54 7.854 -3.710 -0.337 1.00 73.04 H new ATOM 0 HG13 VAL A 54 9.109 -3.765 0.924 1.00 73.04 H new ATOM 0 HG21 VAL A 54 8.508 -0.945 2.042 1.00 2.05 H new ATOM 0 HG22 VAL A 54 10.159 -1.520 1.711 1.00 2.05 H new ATOM 0 HG23 VAL A 54 9.576 -0.013 0.965 1.00 2.05 H new ATOM 829 N GLY A 55 8.595 -1.855 -3.092 1.00 73.42 N ATOM 830 CA GLY A 55 8.070 -2.389 -4.345 1.00 42.25 C ATOM 831 C GLY A 55 6.630 -2.881 -4.245 1.00 32.23 C ATOM 832 O GLY A 55 5.706 -2.209 -4.703 1.00 21.15 O ATOM 0 H GLY A 55 8.392 -0.868 -2.932 1.00 73.42 H new ATOM 0 HA2 GLY A 55 8.128 -1.617 -5.112 1.00 42.25 H new ATOM 0 HA3 GLY A 55 8.704 -3.213 -4.673 1.00 42.25 H new ATOM 836 N TRP A 56 6.438 -4.051 -3.643 1.00 2.42 N ATOM 837 CA TRP A 56 5.109 -4.671 -3.544 1.00 71.10 C ATOM 838 C TRP A 56 4.684 -4.852 -2.077 1.00 32.04 C ATOM 839 O TRP A 56 5.462 -5.327 -1.246 1.00 22.45 O ATOM 840 CB TRP A 56 5.110 -6.026 -4.274 1.00 73.52 C ATOM 841 CG TRP A 56 6.066 -7.030 -3.689 1.00 54.04 C ATOM 842 CD1 TRP A 56 7.429 -7.025 -3.787 1.00 15.31 C ATOM 843 CD2 TRP A 56 5.726 -8.189 -2.917 1.00 21.22 C ATOM 844 NE1 TRP A 56 7.953 -8.102 -3.117 1.00 33.14 N ATOM 845 CE2 TRP A 56 6.929 -8.832 -2.577 1.00 2.53 C ATOM 846 CE3 TRP A 56 4.520 -8.741 -2.478 1.00 71.41 C ATOM 847 CZ2 TRP A 56 6.962 -10.000 -1.818 1.00 53.41 C ATOM 848 CZ3 TRP A 56 4.552 -9.901 -1.725 1.00 44.30 C ATOM 849 CH2 TRP A 56 5.765 -10.520 -1.402 1.00 2.03 C ATOM 0 H TRP A 56 7.186 -4.595 -3.213 1.00 2.42 H new ATOM 0 HA TRP A 56 4.386 -4.008 -4.018 1.00 71.10 H new ATOM 0 HB2 TRP A 56 4.102 -6.441 -4.251 1.00 73.52 H new ATOM 0 HB3 TRP A 56 5.364 -5.864 -5.321 1.00 73.52 H new ATOM 0 HD1 TRP A 56 8.009 -6.282 -4.315 1.00 15.31 H new ATOM 0 HE1 TRP A 56 8.945 -8.323 -3.035 1.00 33.14 H new ATOM 0 HE3 TRP A 56 3.579 -8.270 -2.722 1.00 71.41 H new ATOM 0 HZ2 TRP A 56 7.897 -10.478 -1.567 1.00 53.41 H new ATOM 0 HZ3 TRP A 56 3.626 -10.336 -1.381 1.00 44.30 H new ATOM 0 HH2 TRP A 56 5.757 -11.425 -0.813 1.00 2.03 H new ATOM 860 N MET A 57 3.453 -4.453 -1.752 1.00 33.45 N ATOM 861 CA MET A 57 2.933 -4.572 -0.381 1.00 41.04 C ATOM 862 C MET A 57 1.429 -4.896 -0.370 1.00 11.03 C ATOM 863 O MET A 57 0.642 -4.254 -1.071 1.00 5.21 O ATOM 864 CB MET A 57 3.176 -3.272 0.404 1.00 55.33 C ATOM 865 CG MET A 57 4.648 -2.923 0.602 1.00 43.34 C ATOM 866 SD MET A 57 4.886 -1.371 1.493 1.00 30.21 S ATOM 867 CE MET A 57 4.131 -0.210 0.359 1.00 53.35 C ATOM 0 H MET A 57 2.795 -4.045 -2.416 1.00 33.45 H new ATOM 0 HA MET A 57 3.468 -5.394 0.095 1.00 41.04 H new ATOM 0 HB2 MET A 57 2.687 -2.450 -0.118 1.00 55.33 H new ATOM 0 HB3 MET A 57 2.700 -3.357 1.381 1.00 55.33 H new ATOM 0 HG2 MET A 57 5.137 -3.729 1.149 1.00 43.34 H new ATOM 0 HG3 MET A 57 5.135 -2.856 -0.371 1.00 43.34 H new ATOM 0 HE1 MET A 57 4.382 0.807 0.659 1.00 53.35 H new ATOM 0 HE2 MET A 57 4.502 -0.393 -0.650 1.00 53.35 H new ATOM 0 HE3 MET A 57 3.048 -0.336 0.376 1.00 53.35 H new ATOM 877 N PRO A 58 1.007 -5.898 0.428 1.00 72.24 N ATOM 878 CA PRO A 58 -0.417 -6.218 0.604 1.00 45.11 C ATOM 879 C PRO A 58 -1.112 -5.281 1.611 1.00 3.31 C ATOM 880 O PRO A 58 -0.648 -5.113 2.742 1.00 14.53 O ATOM 881 CB PRO A 58 -0.377 -7.655 1.132 1.00 22.41 C ATOM 882 CG PRO A 58 0.907 -7.737 1.897 1.00 0.30 C ATOM 883 CD PRO A 58 1.878 -6.814 1.195 1.00 3.11 C ATOM 0 HA PRO A 58 -0.987 -6.100 -0.317 1.00 45.11 H new ATOM 0 HB2 PRO A 58 -1.234 -7.867 1.771 1.00 22.41 H new ATOM 0 HB3 PRO A 58 -0.400 -8.378 0.317 1.00 22.41 H new ATOM 0 HG2 PRO A 58 0.762 -7.433 2.934 1.00 0.30 H new ATOM 0 HG3 PRO A 58 1.285 -8.759 1.914 1.00 0.30 H new ATOM 0 HD2 PRO A 58 2.499 -6.271 1.907 1.00 3.11 H new ATOM 0 HD3 PRO A 58 2.552 -7.366 0.540 1.00 3.11 H new ATOM 891 N GLY A 59 -2.229 -4.677 1.206 1.00 52.21 N ATOM 892 CA GLY A 59 -2.928 -3.739 2.082 1.00 74.03 C ATOM 893 C GLY A 59 -4.407 -3.573 1.744 1.00 33.25 C ATOM 894 O GLY A 59 -4.904 -4.149 0.773 1.00 3.15 O ATOM 0 H GLY A 59 -2.663 -4.817 0.293 1.00 52.21 H new ATOM 0 HA2 GLY A 59 -2.836 -4.080 3.113 1.00 74.03 H new ATOM 0 HA3 GLY A 59 -2.439 -2.767 2.023 1.00 74.03 H new ATOM 898 N LEU A 60 -5.109 -2.781 2.554 1.00 10.05 N ATOM 899 CA LEU A 60 -6.545 -2.538 2.372 1.00 62.35 C ATOM 900 C LEU A 60 -6.806 -1.105 1.875 1.00 32.32 C ATOM 901 O LEU A 60 -6.276 -0.139 2.429 1.00 4.32 O ATOM 902 CB LEU A 60 -7.281 -2.775 3.702 1.00 72.41 C ATOM 903 CG LEU A 60 -8.806 -2.578 3.665 1.00 1.03 C ATOM 904 CD1 LEU A 60 -9.463 -3.561 2.697 1.00 4.32 C ATOM 905 CD2 LEU A 60 -9.401 -2.720 5.067 1.00 24.24 C ATOM 0 H LEU A 60 -4.704 -2.291 3.351 1.00 10.05 H new ATOM 0 HA LEU A 60 -6.919 -3.231 1.618 1.00 62.35 H new ATOM 0 HB2 LEU A 60 -7.073 -3.792 4.035 1.00 72.41 H new ATOM 0 HB3 LEU A 60 -6.864 -2.102 4.452 1.00 72.41 H new ATOM 0 HG LEU A 60 -9.008 -1.569 3.306 1.00 1.03 H new ATOM 0 HD11 LEU A 60 -10.541 -3.400 2.691 1.00 4.32 H new ATOM 0 HD12 LEU A 60 -9.067 -3.404 1.694 1.00 4.32 H new ATOM 0 HD13 LEU A 60 -9.251 -4.582 3.015 1.00 4.32 H new ATOM 0 HD21 LEU A 60 -10.481 -2.577 5.020 1.00 24.24 H new ATOM 0 HD22 LEU A 60 -9.183 -3.715 5.456 1.00 24.24 H new ATOM 0 HD23 LEU A 60 -8.964 -1.969 5.725 1.00 24.24 H new ATOM 917 N ASN A 61 -7.620 -0.979 0.830 1.00 11.31 N ATOM 918 CA ASN A 61 -7.969 0.332 0.261 1.00 25.31 C ATOM 919 C ASN A 61 -9.319 0.835 0.817 1.00 41.22 C ATOM 920 O ASN A 61 -10.196 0.033 1.144 1.00 42.13 O ATOM 921 CB ASN A 61 -8.017 0.224 -1.269 1.00 52.14 C ATOM 922 CG ASN A 61 -8.344 1.543 -1.936 1.00 44.44 C ATOM 923 OD1 ASN A 61 -9.494 1.831 -2.235 1.00 3.12 O ATOM 924 ND2 ASN A 61 -7.337 2.361 -2.158 1.00 74.31 N ATOM 0 H ASN A 61 -8.055 -1.769 0.354 1.00 11.31 H new ATOM 0 HA ASN A 61 -7.207 1.057 0.546 1.00 25.31 H new ATOM 0 HB2 ASN A 61 -7.055 -0.135 -1.634 1.00 52.14 H new ATOM 0 HB3 ASN A 61 -8.763 -0.518 -1.554 1.00 52.14 H new ATOM 0 HD21 ASN A 61 -7.503 3.269 -2.593 1.00 74.31 H new ATOM 0 HD22 ASN A 61 -6.390 2.087 -1.895 1.00 74.31 H new ATOM 931 N GLU A 62 -9.486 2.159 0.934 1.00 25.51 N ATOM 932 CA GLU A 62 -10.728 2.728 1.486 1.00 1.42 C ATOM 933 C GLU A 62 -11.770 3.047 0.395 1.00 54.04 C ATOM 934 O GLU A 62 -12.977 2.930 0.631 1.00 33.43 O ATOM 935 CB GLU A 62 -10.437 3.989 2.318 1.00 64.50 C ATOM 936 CG GLU A 62 -9.601 3.727 3.572 1.00 31.45 C ATOM 937 CD GLU A 62 -9.707 4.846 4.598 1.00 61.21 C ATOM 938 OE1 GLU A 62 -10.651 4.810 5.420 1.00 65.20 O ATOM 939 OE2 GLU A 62 -8.862 5.766 4.595 1.00 33.25 O ATOM 0 H GLU A 62 -8.788 2.850 0.659 1.00 25.51 H new ATOM 0 HA GLU A 62 -11.154 1.962 2.134 1.00 1.42 H new ATOM 0 HB2 GLU A 62 -9.916 4.713 1.691 1.00 64.50 H new ATOM 0 HB3 GLU A 62 -11.383 4.444 2.613 1.00 64.50 H new ATOM 0 HG2 GLU A 62 -9.923 2.791 4.028 1.00 31.45 H new ATOM 0 HG3 GLU A 62 -8.557 3.600 3.287 1.00 31.45 H new ATOM 946 N ARG A 63 -11.312 3.454 -0.788 1.00 22.11 N ATOM 947 CA ARG A 63 -12.217 3.767 -1.908 1.00 4.52 C ATOM 948 C ARG A 63 -12.926 2.491 -2.407 1.00 63.34 C ATOM 949 O ARG A 63 -14.150 2.360 -2.308 1.00 41.30 O ATOM 950 CB ARG A 63 -11.422 4.425 -3.060 1.00 12.23 C ATOM 951 CG ARG A 63 -12.189 5.476 -3.880 1.00 63.24 C ATOM 952 CD ARG A 63 -13.295 4.887 -4.760 1.00 44.44 C ATOM 953 NE ARG A 63 -14.469 4.485 -3.989 1.00 73.41 N ATOM 954 CZ ARG A 63 -15.384 5.312 -3.562 1.00 23.33 C ATOM 955 NH1 ARG A 63 -15.361 6.558 -3.912 1.00 52.22 N ATOM 956 NH2 ARG A 63 -16.348 4.879 -2.816 1.00 4.44 N ATOM 0 H ARG A 63 -10.322 3.577 -1.002 1.00 22.11 H new ATOM 0 HA ARG A 63 -12.977 4.465 -1.558 1.00 4.52 H new ATOM 0 HB2 ARG A 63 -10.532 4.895 -2.641 1.00 12.23 H new ATOM 0 HB3 ARG A 63 -11.080 3.641 -3.736 1.00 12.23 H new ATOM 0 HG2 ARG A 63 -12.629 6.204 -3.199 1.00 63.24 H new ATOM 0 HG3 ARG A 63 -11.484 6.016 -4.512 1.00 63.24 H new ATOM 0 HD2 ARG A 63 -13.590 5.623 -5.508 1.00 44.44 H new ATOM 0 HD3 ARG A 63 -12.905 4.023 -5.299 1.00 44.44 H new ATOM 0 HE ARG A 63 -14.581 3.495 -3.770 1.00 73.41 H new ATOM 0 HH11 ARG A 63 -14.623 6.901 -4.527 1.00 52.22 H new ATOM 0 HH12 ARG A 63 -16.081 7.196 -3.573 1.00 52.22 H new ATOM 0 HH21 ARG A 63 -16.393 3.892 -2.562 1.00 4.44 H new ATOM 0 HH22 ARG A 63 -17.064 5.524 -2.482 1.00 4.44 H new ATOM 970 N THR A 64 -12.150 1.555 -2.943 1.00 3.24 N ATOM 971 CA THR A 64 -12.689 0.288 -3.461 1.00 43.44 C ATOM 972 C THR A 64 -13.068 -0.666 -2.325 1.00 61.23 C ATOM 973 O THR A 64 -13.880 -1.576 -2.511 1.00 62.22 O ATOM 974 CB THR A 64 -11.667 -0.425 -4.380 1.00 72.32 C ATOM 975 OG1 THR A 64 -10.485 -0.762 -3.635 1.00 41.43 O ATOM 976 CG2 THR A 64 -11.292 0.455 -5.569 1.00 62.24 C ATOM 0 H THR A 64 -11.138 1.645 -3.033 1.00 3.24 H new ATOM 0 HA THR A 64 -13.581 0.542 -4.034 1.00 43.44 H new ATOM 0 HB THR A 64 -12.130 -1.336 -4.758 1.00 72.32 H new ATOM 0 HG1 THR A 64 -10.127 0.044 -3.207 1.00 41.43 H new ATOM 0 HG21 THR A 64 -10.573 -0.070 -6.198 1.00 62.24 H new ATOM 0 HG22 THR A 64 -12.186 0.681 -6.151 1.00 62.24 H new ATOM 0 HG23 THR A 64 -10.849 1.384 -5.209 1.00 62.24 H new ATOM 984 N ARG A 65 -12.476 -0.440 -1.150 1.00 74.22 N ATOM 985 CA ARG A 65 -12.677 -1.295 0.026 1.00 43.53 C ATOM 986 C ARG A 65 -12.285 -2.755 -0.232 1.00 13.14 C ATOM 987 O ARG A 65 -12.705 -3.654 0.500 1.00 42.44 O ATOM 988 CB ARG A 65 -14.128 -1.210 0.508 1.00 3.04 C ATOM 989 CG ARG A 65 -14.539 0.192 0.933 1.00 34.02 C ATOM 990 CD ARG A 65 -15.915 0.200 1.576 1.00 25.15 C ATOM 991 NE ARG A 65 -15.957 -0.611 2.799 1.00 23.03 N ATOM 992 CZ ARG A 65 -16.611 -0.276 3.878 1.00 72.14 C ATOM 993 NH1 ARG A 65 -17.318 0.807 3.905 1.00 11.42 N ATOM 994 NH2 ARG A 65 -16.571 -1.034 4.926 1.00 11.33 N ATOM 0 H ARG A 65 -11.842 0.342 -0.985 1.00 74.22 H new ATOM 0 HA ARG A 65 -12.015 -0.920 0.807 1.00 43.53 H new ATOM 0 HB2 ARG A 65 -14.789 -1.549 -0.290 1.00 3.04 H new ATOM 0 HB3 ARG A 65 -14.265 -1.892 1.347 1.00 3.04 H new ATOM 0 HG2 ARG A 65 -13.806 0.590 1.635 1.00 34.02 H new ATOM 0 HG3 ARG A 65 -14.539 0.851 0.065 1.00 34.02 H new ATOM 0 HD2 ARG A 65 -16.199 1.226 1.812 1.00 25.15 H new ATOM 0 HD3 ARG A 65 -16.649 -0.179 0.865 1.00 25.15 H new ATOM 0 HE ARG A 65 -15.443 -1.492 2.806 1.00 23.03 H new ATOM 0 HH11 ARG A 65 -17.367 1.405 3.080 1.00 11.42 H new ATOM 0 HH12 ARG A 65 -17.827 1.063 4.751 1.00 11.42 H new ATOM 0 HH21 ARG A 65 -16.027 -1.897 4.911 1.00 11.33 H new ATOM 0 HH22 ARG A 65 -17.083 -0.769 5.767 1.00 11.33 H new ATOM 1008 N GLN A 66 -11.460 -2.988 -1.249 1.00 44.20 N ATOM 1009 CA GLN A 66 -11.034 -4.343 -1.595 1.00 62.12 C ATOM 1010 C GLN A 66 -9.650 -4.668 -1.017 1.00 54.20 C ATOM 1011 O GLN A 66 -8.898 -3.776 -0.612 1.00 43.11 O ATOM 1012 CB GLN A 66 -11.027 -4.526 -3.119 1.00 22.52 C ATOM 1013 CG GLN A 66 -12.377 -4.252 -3.777 1.00 44.02 C ATOM 1014 CD GLN A 66 -13.509 -5.081 -3.186 1.00 52.31 C ATOM 1015 OE1 GLN A 66 -13.309 -6.208 -2.736 1.00 55.14 O ATOM 1016 NE2 GLN A 66 -14.704 -4.524 -3.165 1.00 44.21 N ATOM 0 H GLN A 66 -11.073 -2.258 -1.848 1.00 44.20 H new ATOM 0 HA GLN A 66 -11.750 -5.036 -1.153 1.00 62.12 H new ATOM 0 HB2 GLN A 66 -10.280 -3.861 -3.552 1.00 22.52 H new ATOM 0 HB3 GLN A 66 -10.720 -5.545 -3.352 1.00 22.52 H new ATOM 0 HG2 GLN A 66 -12.617 -3.194 -3.673 1.00 44.02 H new ATOM 0 HG3 GLN A 66 -12.303 -4.458 -4.845 1.00 44.02 H new ATOM 0 HE21 GLN A 66 -14.837 -3.587 -3.546 1.00 44.21 H new ATOM 0 HE22 GLN A 66 -15.495 -5.030 -2.767 1.00 44.21 H new ATOM 1025 N ARG A 67 -9.326 -5.956 -0.989 1.00 44.03 N ATOM 1026 CA ARG A 67 -8.053 -6.436 -0.447 1.00 43.12 C ATOM 1027 C ARG A 67 -7.129 -6.912 -1.575 1.00 30.53 C ATOM 1028 O ARG A 67 -7.537 -7.698 -2.431 1.00 73.30 O ATOM 1029 CB ARG A 67 -8.319 -7.587 0.534 1.00 34.51 C ATOM 1030 CG ARG A 67 -9.269 -7.212 1.670 1.00 71.43 C ATOM 1031 CD ARG A 67 -9.727 -8.431 2.467 1.00 2.05 C ATOM 1032 NE ARG A 67 -8.604 -9.184 3.028 1.00 12.12 N ATOM 1033 CZ ARG A 67 -8.564 -9.649 4.249 1.00 1.32 C ATOM 1034 NH1 ARG A 67 -9.541 -9.441 5.076 1.00 65.41 N ATOM 1035 NH2 ARG A 67 -7.539 -10.324 4.636 1.00 53.00 N ATOM 0 H ARG A 67 -9.933 -6.697 -1.339 1.00 44.03 H new ATOM 0 HA ARG A 67 -7.560 -5.616 0.076 1.00 43.12 H new ATOM 0 HB2 ARG A 67 -8.736 -8.432 -0.014 1.00 34.51 H new ATOM 0 HB3 ARG A 67 -7.371 -7.919 0.958 1.00 34.51 H new ATOM 0 HG2 ARG A 67 -8.773 -6.509 2.339 1.00 71.43 H new ATOM 0 HG3 ARG A 67 -10.140 -6.701 1.259 1.00 71.43 H new ATOM 0 HD2 ARG A 67 -10.384 -8.108 3.274 1.00 2.05 H new ATOM 0 HD3 ARG A 67 -10.313 -9.085 1.821 1.00 2.05 H new ATOM 0 HE ARG A 67 -7.799 -9.357 2.426 1.00 12.12 H new ATOM 0 HH11 ARG A 67 -10.357 -8.907 4.777 1.00 65.41 H new ATOM 0 HH12 ARG A 67 -9.493 -9.811 6.025 1.00 65.41 H new ATOM 0 HH21 ARG A 67 -6.766 -10.492 3.992 1.00 53.00 H new ATOM 0 HH22 ARG A 67 -7.499 -10.691 5.587 1.00 53.00 H new ATOM 1049 N GLY A 68 -5.886 -6.436 -1.583 1.00 14.11 N ATOM 1050 CA GLY A 68 -4.958 -6.824 -2.637 1.00 24.51 C ATOM 1051 C GLY A 68 -3.507 -6.458 -2.347 1.00 63.31 C ATOM 1052 O GLY A 68 -3.168 -6.012 -1.250 1.00 24.34 O ATOM 0 H GLY A 68 -5.506 -5.795 -0.887 1.00 14.11 H new ATOM 0 HA2 GLY A 68 -5.027 -7.901 -2.790 1.00 24.51 H new ATOM 0 HA3 GLY A 68 -5.263 -6.349 -3.569 1.00 24.51 H new ATOM 1056 N ASP A 69 -2.655 -6.651 -3.347 1.00 15.35 N ATOM 1057 CA ASP A 69 -1.224 -6.355 -3.238 1.00 44.52 C ATOM 1058 C ASP A 69 -0.848 -5.223 -4.211 1.00 21.34 C ATOM 1059 O ASP A 69 -0.844 -5.421 -5.426 1.00 72.41 O ATOM 1060 CB ASP A 69 -0.427 -7.628 -3.547 1.00 14.25 C ATOM 1061 CG ASP A 69 1.056 -7.485 -3.261 1.00 71.41 C ATOM 1062 OD1 ASP A 69 1.466 -7.762 -2.117 1.00 1.23 O ATOM 1063 OD2 ASP A 69 1.814 -7.136 -4.189 1.00 61.01 O ATOM 0 H ASP A 69 -2.933 -7.017 -4.258 1.00 15.35 H new ATOM 0 HA ASP A 69 -0.987 -6.024 -2.227 1.00 44.52 H new ATOM 0 HB2 ASP A 69 -0.827 -8.452 -2.957 1.00 14.25 H new ATOM 0 HB3 ASP A 69 -0.565 -7.891 -4.596 1.00 14.25 H new ATOM 1068 N PHE A 70 -0.544 -4.044 -3.676 1.00 62.11 N ATOM 1069 CA PHE A 70 -0.346 -2.847 -4.507 1.00 51.44 C ATOM 1070 C PHE A 70 1.143 -2.482 -4.678 1.00 4.53 C ATOM 1071 O PHE A 70 1.966 -2.733 -3.791 1.00 73.42 O ATOM 1072 CB PHE A 70 -1.112 -1.653 -3.903 1.00 4.51 C ATOM 1073 CG PHE A 70 -0.661 -1.266 -2.513 1.00 44.10 C ATOM 1074 CD1 PHE A 70 -1.251 -1.834 -1.393 1.00 43.31 C ATOM 1075 CD2 PHE A 70 0.349 -0.328 -2.331 1.00 35.33 C ATOM 1076 CE1 PHE A 70 -0.842 -1.478 -0.121 1.00 3.44 C ATOM 1077 CE2 PHE A 70 0.760 0.031 -1.062 1.00 35.41 C ATOM 1078 CZ PHE A 70 0.164 -0.543 0.044 1.00 22.32 C ATOM 0 H PHE A 70 -0.428 -3.886 -2.675 1.00 62.11 H new ATOM 0 HA PHE A 70 -0.737 -3.078 -5.498 1.00 51.44 H new ATOM 0 HB2 PHE A 70 -0.999 -0.792 -4.562 1.00 4.51 H new ATOM 0 HB3 PHE A 70 -2.174 -1.895 -3.874 1.00 4.51 H new ATOM 0 HD1 PHE A 70 -2.039 -2.563 -1.516 1.00 43.31 H new ATOM 0 HD2 PHE A 70 0.818 0.125 -3.192 1.00 35.33 H new ATOM 0 HE1 PHE A 70 -1.307 -1.929 0.743 1.00 3.44 H new ATOM 0 HE2 PHE A 70 1.547 0.760 -0.935 1.00 35.41 H new ATOM 0 HZ PHE A 70 0.483 -0.262 1.037 1.00 22.32 H new ATOM 1088 N PRO A 71 1.509 -1.882 -5.833 1.00 4.41 N ATOM 1089 CA PRO A 71 2.867 -1.365 -6.065 1.00 64.33 C ATOM 1090 C PRO A 71 3.124 -0.034 -5.327 1.00 23.40 C ATOM 1091 O PRO A 71 2.529 1.000 -5.647 1.00 33.41 O ATOM 1092 CB PRO A 71 2.909 -1.170 -7.588 1.00 11.13 C ATOM 1093 CG PRO A 71 1.492 -0.895 -7.972 1.00 21.30 C ATOM 1094 CD PRO A 71 0.632 -1.684 -7.010 1.00 40.51 C ATOM 0 HA PRO A 71 3.637 -2.039 -5.689 1.00 64.33 H new ATOM 0 HB2 PRO A 71 3.562 -0.342 -7.864 1.00 11.13 H new ATOM 0 HB3 PRO A 71 3.291 -2.058 -8.091 1.00 11.13 H new ATOM 0 HG2 PRO A 71 1.271 0.170 -7.907 1.00 21.30 H new ATOM 0 HG3 PRO A 71 1.302 -1.198 -9.002 1.00 21.30 H new ATOM 0 HD2 PRO A 71 -0.275 -1.140 -6.746 1.00 40.51 H new ATOM 0 HD3 PRO A 71 0.320 -2.635 -7.441 1.00 40.51 H new ATOM 1102 N GLY A 72 4.026 -0.068 -4.345 1.00 14.14 N ATOM 1103 CA GLY A 72 4.314 1.105 -3.518 1.00 70.32 C ATOM 1104 C GLY A 72 4.760 2.345 -4.298 1.00 21.53 C ATOM 1105 O GLY A 72 4.745 3.452 -3.763 1.00 21.05 O ATOM 0 H GLY A 72 4.570 -0.896 -4.103 1.00 14.14 H new ATOM 0 HA2 GLY A 72 3.422 1.355 -2.944 1.00 70.32 H new ATOM 0 HA3 GLY A 72 5.092 0.845 -2.801 1.00 70.32 H new ATOM 1109 N THR A 73 5.157 2.166 -5.556 1.00 34.42 N ATOM 1110 CA THR A 73 5.607 3.290 -6.398 1.00 51.23 C ATOM 1111 C THR A 73 4.521 4.371 -6.569 1.00 75.24 C ATOM 1112 O THR A 73 4.824 5.563 -6.643 1.00 72.42 O ATOM 1113 CB THR A 73 6.062 2.803 -7.800 1.00 54.15 C ATOM 1114 OG1 THR A 73 6.439 3.920 -8.618 1.00 32.52 O ATOM 1115 CG2 THR A 73 4.962 2.006 -8.499 1.00 25.55 C ATOM 0 H THR A 73 5.179 1.258 -6.021 1.00 34.42 H new ATOM 0 HA THR A 73 6.454 3.733 -5.874 1.00 51.23 H new ATOM 0 HB THR A 73 6.922 2.149 -7.657 1.00 54.15 H new ATOM 0 HG1 THR A 73 6.725 3.599 -9.499 1.00 32.52 H new ATOM 0 HG21 THR A 73 5.314 1.681 -9.478 1.00 25.55 H new ATOM 0 HG22 THR A 73 4.706 1.134 -7.897 1.00 25.55 H new ATOM 0 HG23 THR A 73 4.080 2.634 -8.622 1.00 25.55 H new ATOM 1123 N TYR A 74 3.251 3.957 -6.600 1.00 61.45 N ATOM 1124 CA TYR A 74 2.138 4.894 -6.837 1.00 1.10 C ATOM 1125 C TYR A 74 1.587 5.509 -5.540 1.00 31.45 C ATOM 1126 O TYR A 74 0.597 6.240 -5.574 1.00 62.14 O ATOM 1127 CB TYR A 74 0.998 4.191 -7.591 1.00 24.33 C ATOM 1128 CG TYR A 74 1.351 3.791 -9.011 1.00 23.22 C ATOM 1129 CD1 TYR A 74 1.693 4.752 -9.958 1.00 75.21 C ATOM 1130 CD2 TYR A 74 1.339 2.458 -9.406 1.00 12.20 C ATOM 1131 CE1 TYR A 74 2.012 4.395 -11.254 1.00 35.13 C ATOM 1132 CE2 TYR A 74 1.654 2.095 -10.700 1.00 24.04 C ATOM 1133 CZ TYR A 74 1.988 3.066 -11.619 1.00 11.23 C ATOM 1134 OH TYR A 74 2.299 2.704 -12.912 1.00 3.12 O ATOM 0 H TYR A 74 2.964 2.987 -6.466 1.00 61.45 H new ATOM 0 HA TYR A 74 2.543 5.707 -7.440 1.00 1.10 H new ATOM 0 HB2 TYR A 74 0.704 3.300 -7.036 1.00 24.33 H new ATOM 0 HB3 TYR A 74 0.131 4.851 -7.615 1.00 24.33 H new ATOM 0 HD1 TYR A 74 1.709 5.794 -9.675 1.00 75.21 H new ATOM 0 HD2 TYR A 74 1.079 1.694 -8.688 1.00 12.20 H new ATOM 0 HE1 TYR A 74 2.278 5.152 -11.976 1.00 35.13 H new ATOM 0 HE2 TYR A 74 1.639 1.055 -10.991 1.00 24.04 H new ATOM 0 HH TYR A 74 2.236 1.730 -13.003 1.00 3.12 H new ATOM 1144 N VAL A 75 2.217 5.223 -4.401 1.00 1.11 N ATOM 1145 CA VAL A 75 1.739 5.747 -3.112 1.00 53.44 C ATOM 1146 C VAL A 75 2.851 6.464 -2.327 1.00 61.31 C ATOM 1147 O VAL A 75 4.028 6.116 -2.428 1.00 13.14 O ATOM 1148 CB VAL A 75 1.139 4.622 -2.224 1.00 13.41 C ATOM 1149 CG1 VAL A 75 -0.023 3.927 -2.931 1.00 24.24 C ATOM 1150 CG2 VAL A 75 2.210 3.609 -1.819 1.00 72.44 C ATOM 0 H VAL A 75 3.051 4.639 -4.339 1.00 1.11 H new ATOM 0 HA VAL A 75 0.960 6.470 -3.354 1.00 53.44 H new ATOM 0 HB VAL A 75 0.754 5.086 -1.316 1.00 13.41 H new ATOM 0 HG11 VAL A 75 -0.424 3.144 -2.288 1.00 24.24 H new ATOM 0 HG12 VAL A 75 -0.805 4.655 -3.148 1.00 24.24 H new ATOM 0 HG13 VAL A 75 0.330 3.485 -3.863 1.00 24.24 H new ATOM 0 HG21 VAL A 75 1.761 2.834 -1.198 1.00 72.44 H new ATOM 0 HG22 VAL A 75 2.638 3.156 -2.713 1.00 72.44 H new ATOM 0 HG23 VAL A 75 2.995 4.115 -1.257 1.00 72.44 H new ATOM 1160 N GLU A 76 2.464 7.479 -1.557 1.00 15.15 N ATOM 1161 CA GLU A 76 3.386 8.158 -0.639 1.00 12.53 C ATOM 1162 C GLU A 76 3.139 7.697 0.807 1.00 34.32 C ATOM 1163 O GLU A 76 2.006 7.391 1.190 1.00 20.10 O ATOM 1164 CB GLU A 76 3.242 9.690 -0.745 1.00 63.15 C ATOM 1165 CG GLU A 76 1.821 10.207 -0.513 1.00 61.43 C ATOM 1166 CD GLU A 76 1.706 11.727 -0.612 1.00 71.12 C ATOM 1167 OE1 GLU A 76 2.336 12.323 -1.510 1.00 73.00 O ATOM 1168 OE2 GLU A 76 0.975 12.332 0.200 1.00 1.12 O ATOM 0 H GLU A 76 1.515 7.853 -1.548 1.00 15.15 H new ATOM 0 HA GLU A 76 4.404 7.892 -0.923 1.00 12.53 H new ATOM 0 HB2 GLU A 76 3.909 10.157 -0.020 1.00 63.15 H new ATOM 0 HB3 GLU A 76 3.574 10.007 -1.734 1.00 63.15 H new ATOM 0 HG2 GLU A 76 1.152 9.751 -1.243 1.00 61.43 H new ATOM 0 HG3 GLU A 76 1.482 9.888 0.473 1.00 61.43 H new ATOM 1175 N PHE A 77 4.204 7.633 1.603 1.00 13.31 N ATOM 1176 CA PHE A 77 4.107 7.199 3.003 1.00 24.40 C ATOM 1177 C PHE A 77 3.569 8.318 3.908 1.00 1.40 C ATOM 1178 O PHE A 77 4.068 9.443 3.887 1.00 73.32 O ATOM 1179 CB PHE A 77 5.483 6.731 3.499 1.00 41.15 C ATOM 1180 CG PHE A 77 5.530 6.384 4.970 1.00 41.53 C ATOM 1181 CD1 PHE A 77 4.883 5.254 5.457 1.00 45.54 C ATOM 1182 CD2 PHE A 77 6.227 7.187 5.865 1.00 54.51 C ATOM 1183 CE1 PHE A 77 4.929 4.938 6.801 1.00 55.21 C ATOM 1184 CE2 PHE A 77 6.274 6.873 7.208 1.00 24.24 C ATOM 1185 CZ PHE A 77 5.627 5.746 7.676 1.00 34.04 C ATOM 0 H PHE A 77 5.149 7.876 1.305 1.00 13.31 H new ATOM 0 HA PHE A 77 3.401 6.370 3.050 1.00 24.40 H new ATOM 0 HB2 PHE A 77 5.786 5.857 2.922 1.00 41.15 H new ATOM 0 HB3 PHE A 77 6.214 7.515 3.299 1.00 41.15 H new ATOM 0 HD1 PHE A 77 4.338 4.616 4.777 1.00 45.54 H new ATOM 0 HD2 PHE A 77 6.738 8.068 5.505 1.00 54.51 H new ATOM 0 HE1 PHE A 77 4.419 4.059 7.167 1.00 55.21 H new ATOM 0 HE2 PHE A 77 6.816 7.508 7.893 1.00 24.24 H new ATOM 0 HZ PHE A 77 5.667 5.497 8.726 1.00 34.04 H new ATOM 1195 N LEU A 78 2.542 8.008 4.697 1.00 55.43 N ATOM 1196 CA LEU A 78 1.983 8.974 5.647 1.00 32.12 C ATOM 1197 C LEU A 78 2.606 8.796 7.042 1.00 4.01 C ATOM 1198 O LEU A 78 3.346 9.658 7.520 1.00 73.41 O ATOM 1199 CB LEU A 78 0.456 8.821 5.724 1.00 22.03 C ATOM 1200 CG LEU A 78 -0.297 9.035 4.399 1.00 62.14 C ATOM 1201 CD1 LEU A 78 -1.796 8.805 4.582 1.00 22.04 C ATOM 1202 CD2 LEU A 78 -0.027 10.431 3.843 1.00 15.35 C ATOM 0 H LEU A 78 2.080 7.099 4.699 1.00 55.43 H new ATOM 0 HA LEU A 78 2.221 9.977 5.293 1.00 32.12 H new ATOM 0 HB2 LEU A 78 0.226 7.822 6.096 1.00 22.03 H new ATOM 0 HB3 LEU A 78 0.073 9.530 6.458 1.00 22.03 H new ATOM 0 HG LEU A 78 0.071 8.305 3.678 1.00 62.14 H new ATOM 0 HD11 LEU A 78 -2.307 8.962 3.632 1.00 22.04 H new ATOM 0 HD12 LEU A 78 -1.969 7.784 4.922 1.00 22.04 H new ATOM 0 HD13 LEU A 78 -2.184 9.505 5.322 1.00 22.04 H new ATOM 0 HD21 LEU A 78 -0.569 10.561 2.906 1.00 15.35 H new ATOM 0 HD22 LEU A 78 -0.360 11.180 4.562 1.00 15.35 H new ATOM 0 HD23 LEU A 78 1.041 10.551 3.664 1.00 15.35 H new ATOM 1214 N GLY A 79 2.309 7.669 7.683 1.00 35.01 N ATOM 1215 CA GLY A 79 2.836 7.401 9.018 1.00 24.24 C ATOM 1216 C GLY A 79 2.124 6.247 9.723 1.00 14.33 C ATOM 1217 O GLY A 79 1.290 5.566 9.118 1.00 34.12 O ATOM 0 H GLY A 79 1.712 6.933 7.305 1.00 35.01 H new ATOM 0 HA2 GLY A 79 3.899 7.173 8.943 1.00 24.24 H new ATOM 0 HA3 GLY A 79 2.745 8.301 9.625 1.00 24.24 H new ATOM 1221 N PRO A 80 2.448 5.993 11.008 1.00 0.35 N ATOM 1222 CA PRO A 80 1.790 4.940 11.802 1.00 42.13 C ATOM 1223 C PRO A 80 0.398 5.361 12.313 1.00 22.02 C ATOM 1224 O PRO A 80 -0.093 6.448 11.994 1.00 2.30 O ATOM 1225 CB PRO A 80 2.766 4.745 12.968 1.00 62.35 C ATOM 1226 CG PRO A 80 3.387 6.086 13.162 1.00 74.20 C ATOM 1227 CD PRO A 80 3.486 6.705 11.786 1.00 61.31 C ATOM 0 HA PRO A 80 1.601 4.037 11.221 1.00 42.13 H new ATOM 0 HB2 PRO A 80 2.248 4.413 13.868 1.00 62.35 H new ATOM 0 HB3 PRO A 80 3.517 3.990 12.735 1.00 62.35 H new ATOM 0 HG2 PRO A 80 2.781 6.704 13.825 1.00 74.20 H new ATOM 0 HG3 PRO A 80 4.372 5.997 13.621 1.00 74.20 H new ATOM 0 HD2 PRO A 80 3.299 7.778 11.815 1.00 61.31 H new ATOM 0 HD3 PRO A 80 4.477 6.565 11.354 1.00 61.31 H new ATOM 1235 N LEU A 81 -0.242 4.490 13.097 1.00 2.13 N ATOM 1236 CA LEU A 81 -1.573 4.776 13.659 1.00 4.10 C ATOM 1237 C LEU A 81 -1.523 4.851 15.195 1.00 24.35 C ATOM 1238 O LEU A 81 -0.698 4.190 15.834 1.00 51.33 O ATOM 1239 CB LEU A 81 -2.596 3.707 13.222 1.00 51.04 C ATOM 1240 CG LEU A 81 -2.824 3.575 11.698 1.00 62.31 C ATOM 1241 CD1 LEU A 81 -1.655 2.863 11.015 1.00 33.21 C ATOM 1242 CD2 LEU A 81 -4.139 2.857 11.400 1.00 23.31 C ATOM 0 H LEU A 81 0.136 3.580 13.360 1.00 2.13 H new ATOM 0 HA LEU A 81 -1.889 5.745 13.273 1.00 4.10 H new ATOM 0 HB2 LEU A 81 -2.270 2.741 13.606 1.00 51.04 H new ATOM 0 HB3 LEU A 81 -3.552 3.932 13.695 1.00 51.04 H new ATOM 0 HG LEU A 81 -2.884 4.584 11.290 1.00 62.31 H new ATOM 0 HD11 LEU A 81 -1.850 2.788 9.945 1.00 33.21 H new ATOM 0 HD12 LEU A 81 -0.738 3.430 11.178 1.00 33.21 H new ATOM 0 HD13 LEU A 81 -1.543 1.863 11.434 1.00 33.21 H new ATOM 0 HD21 LEU A 81 -4.274 2.778 10.321 1.00 23.31 H new ATOM 0 HD22 LEU A 81 -4.116 1.859 11.837 1.00 23.31 H new ATOM 0 HD23 LEU A 81 -4.967 3.421 11.829 1.00 23.31 H new ATOM 1254 N GLU A 82 -2.410 5.655 15.786 1.00 73.05 N ATOM 1255 CA GLU A 82 -2.440 5.837 17.247 1.00 63.13 C ATOM 1256 C GLU A 82 -3.660 5.146 17.904 1.00 73.12 C ATOM 1257 O GLU A 82 -4.810 5.565 17.662 1.00 37.91 O ATOM 1258 CB GLU A 82 -2.390 7.335 17.625 1.00 52.43 C ATOM 1259 CG GLU A 82 -3.457 8.218 16.971 1.00 24.45 C ATOM 1260 CD GLU A 82 -3.161 8.544 15.515 1.00 43.45 C ATOM 1261 OE1 GLU A 82 -2.316 9.436 15.260 1.00 75.14 O ATOM 1262 OE2 GLU A 82 -3.778 7.924 14.620 1.00 74.42 O ATOM 0 H GLU A 82 -3.116 6.190 15.281 1.00 73.05 H new ATOM 0 HA GLU A 82 -1.547 5.352 17.640 1.00 63.13 H new ATOM 0 HB2 GLU A 82 -2.486 7.422 18.707 1.00 52.43 H new ATOM 0 HB3 GLU A 82 -1.408 7.726 17.359 1.00 52.43 H new ATOM 0 HG2 GLU A 82 -4.422 7.716 17.034 1.00 24.45 H new ATOM 0 HG3 GLU A 82 -3.544 9.148 17.534 1.00 24.45 H new TER 1269 GLU A 82