USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -140:sc= 0.00642 (180deg=-0.294) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.0429 USER MOD Single : A 11 GLN : amide:sc= -0.453 K(o=-0.45,f=-4.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 1.05 (180deg=0.739) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -2.43! (180deg=-3.51!) USER MOD Single : A 19 HIS : no HD1:sc=-0.00505 X(o=-0.005,f=-0.035) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -139:sc= -0.762 (180deg=-1.47) USER MOD Single : A 31 MET CE :methyl -124:sc= -3.14! (180deg=-7.55!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.0751 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 ASN : amide:sc= 0.0413 K(o=0.041,f=-2.3!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 0.469 (180deg=-0.172) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00279 USER MOD Single : A 69 MET CE :methyl -129:sc= -1.45 (180deg=-2.27) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -2.848 5.079 9.388 1.00 35.33 N ATOM 19 CA PHE A 2 -3.281 3.744 9.018 1.00 64.24 C ATOM 20 C PHE A 2 -2.211 3.098 8.150 1.00 12.24 C ATOM 21 O PHE A 2 -1.977 3.527 7.024 1.00 51.44 O ATOM 22 CB PHE A 2 -4.615 3.809 8.270 1.00 70.13 C ATOM 23 CG PHE A 2 -5.170 2.462 7.900 1.00 70.22 C ATOM 24 CD1 PHE A 2 -5.760 1.659 8.859 1.00 53.43 C ATOM 25 CD2 PHE A 2 -5.107 2.005 6.594 1.00 42.15 C ATOM 26 CE1 PHE A 2 -6.278 0.423 8.524 1.00 21.34 C ATOM 27 CE2 PHE A 2 -5.622 0.770 6.252 1.00 43.23 C ATOM 28 CZ PHE A 2 -6.209 -0.021 7.220 1.00 41.33 C ATOM 0 HA PHE A 2 -3.426 3.143 9.916 1.00 64.24 H new ATOM 0 HB2 PHE A 2 -5.343 4.334 8.889 1.00 70.13 H new ATOM 0 HB3 PHE A 2 -4.484 4.399 7.363 1.00 70.13 H new ATOM 0 HD1 PHE A 2 -5.816 2.002 9.881 1.00 53.43 H new ATOM 0 HD2 PHE A 2 -4.650 2.622 5.834 1.00 42.15 H new ATOM 0 HE1 PHE A 2 -6.736 -0.195 9.282 1.00 21.34 H new ATOM 0 HE2 PHE A 2 -5.566 0.424 5.231 1.00 43.23 H new ATOM 0 HZ PHE A 2 -6.614 -0.987 6.956 1.00 41.33 H new ATOM 38 N SER A 3 -1.546 2.091 8.685 1.00 75.24 N ATOM 39 CA SER A 3 -0.444 1.458 7.979 1.00 25.20 C ATOM 40 C SER A 3 -0.956 0.534 6.881 1.00 64.11 C ATOM 41 O SER A 3 -1.953 -0.165 7.062 1.00 54.41 O ATOM 42 CB SER A 3 0.419 0.665 8.958 1.00 2.31 C ATOM 43 OG SER A 3 0.669 1.409 10.139 1.00 23.04 O ATOM 0 H SER A 3 -1.747 1.694 9.603 1.00 75.24 H new ATOM 0 HA SER A 3 0.157 2.242 7.518 1.00 25.20 H new ATOM 0 HB2 SER A 3 -0.080 -0.270 9.213 1.00 2.31 H new ATOM 0 HB3 SER A 3 1.364 0.402 8.483 1.00 2.31 H new ATOM 0 HG SER A 3 1.222 0.878 10.749 1.00 23.04 H new ATOM 49 N LEU A 4 -0.264 0.530 5.748 1.00 41.41 N ATOM 50 CA LEU A 4 -0.602 -0.359 4.643 1.00 30.34 C ATOM 51 C LEU A 4 -0.499 -1.818 5.087 1.00 3.54 C ATOM 52 O LEU A 4 -1.256 -2.672 4.634 1.00 22.02 O ATOM 53 CB LEU A 4 0.329 -0.093 3.456 1.00 41.14 C ATOM 54 CG LEU A 4 0.088 -0.952 2.214 1.00 73.53 C ATOM 55 CD1 LEU A 4 -1.306 -0.711 1.655 1.00 64.22 C ATOM 56 CD2 LEU A 4 1.139 -0.654 1.158 1.00 42.12 C ATOM 0 H LEU A 4 0.538 1.135 5.570 1.00 41.41 H new ATOM 0 HA LEU A 4 -1.629 -0.165 4.333 1.00 30.34 H new ATOM 0 HB2 LEU A 4 0.235 0.955 3.173 1.00 41.14 H new ATOM 0 HB3 LEU A 4 1.357 -0.244 3.785 1.00 41.14 H new ATOM 0 HG LEU A 4 0.165 -2.001 2.501 1.00 73.53 H new ATOM 0 HD11 LEU A 4 -1.456 -1.332 0.772 1.00 64.22 H new ATOM 0 HD12 LEU A 4 -2.050 -0.967 2.410 1.00 64.22 H new ATOM 0 HD13 LEU A 4 -1.412 0.339 1.382 1.00 64.22 H new ATOM 0 HD21 LEU A 4 0.957 -1.272 0.279 1.00 42.12 H new ATOM 0 HD22 LEU A 4 1.087 0.398 0.879 1.00 42.12 H new ATOM 0 HD23 LEU A 4 2.129 -0.875 1.557 1.00 42.12 H new ATOM 68 N ARG A 5 0.438 -2.085 5.991 1.00 45.12 N ATOM 69 CA ARG A 5 0.616 -3.415 6.559 1.00 22.04 C ATOM 70 C ARG A 5 -0.589 -3.794 7.423 1.00 74.30 C ATOM 71 O ARG A 5 -0.934 -4.966 7.548 1.00 62.43 O ATOM 72 CB ARG A 5 1.892 -3.423 7.408 1.00 54.52 C ATOM 73 CG ARG A 5 2.648 -4.741 7.412 1.00 41.44 C ATOM 74 CD ARG A 5 1.877 -5.857 8.100 1.00 14.12 C ATOM 75 NE ARG A 5 1.591 -5.563 9.506 1.00 15.34 N ATOM 76 CZ ARG A 5 0.816 -6.320 10.284 1.00 40.10 C ATOM 77 NH1 ARG A 5 0.225 -7.402 9.789 1.00 24.14 N ATOM 78 NH2 ARG A 5 0.629 -5.986 11.555 1.00 22.32 N ATOM 0 H ARG A 5 1.092 -1.389 6.349 1.00 45.12 H new ATOM 0 HA ARG A 5 0.701 -4.144 5.754 1.00 22.04 H new ATOM 0 HB2 ARG A 5 2.558 -2.640 7.045 1.00 54.52 H new ATOM 0 HB3 ARG A 5 1.630 -3.168 8.435 1.00 54.52 H new ATOM 0 HG2 ARG A 5 2.865 -5.034 6.385 1.00 41.44 H new ATOM 0 HG3 ARG A 5 3.606 -4.604 7.913 1.00 41.44 H new ATOM 0 HD2 ARG A 5 0.939 -6.025 7.570 1.00 14.12 H new ATOM 0 HD3 ARG A 5 2.450 -6.782 8.036 1.00 14.12 H new ATOM 0 HE ARG A 5 2.010 -4.728 9.915 1.00 15.34 H new ATOM 0 HH11 ARG A 5 0.363 -7.656 8.811 1.00 24.14 H new ATOM 0 HH12 ARG A 5 -0.367 -7.978 10.387 1.00 24.14 H new ATOM 0 HH21 ARG A 5 1.077 -5.152 11.934 1.00 22.32 H new ATOM 0 HH22 ARG A 5 0.037 -6.563 12.152 1.00 22.32 H new ATOM 92 N ASP A 6 -1.232 -2.785 7.994 1.00 73.23 N ATOM 93 CA ASP A 6 -2.317 -2.994 8.950 1.00 41.44 C ATOM 94 C ASP A 6 -3.636 -3.274 8.231 1.00 0.04 C ATOM 95 O ASP A 6 -4.612 -3.725 8.838 1.00 75.32 O ATOM 96 CB ASP A 6 -2.445 -1.766 9.857 1.00 32.41 C ATOM 97 CG ASP A 6 -3.493 -1.929 10.940 1.00 21.51 C ATOM 98 OD1 ASP A 6 -4.354 -1.035 11.075 1.00 4.33 O ATOM 99 OD2 ASP A 6 -3.461 -2.947 11.659 1.00 32.05 O ATOM 0 H ASP A 6 -1.020 -1.804 7.811 1.00 73.23 H new ATOM 0 HA ASP A 6 -2.083 -3.866 9.560 1.00 41.44 H new ATOM 0 HB2 ASP A 6 -1.480 -1.564 10.322 1.00 32.41 H new ATOM 0 HB3 ASP A 6 -2.694 -0.897 9.248 1.00 32.41 H new ATOM 105 N ALA A 7 -3.654 -3.016 6.933 1.00 71.22 N ATOM 106 CA ALA A 7 -4.820 -3.300 6.114 1.00 24.22 C ATOM 107 C ALA A 7 -4.927 -4.799 5.835 1.00 43.03 C ATOM 108 O ALA A 7 -4.162 -5.595 6.381 1.00 74.02 O ATOM 109 CB ALA A 7 -4.756 -2.509 4.816 1.00 52.23 C ATOM 0 H ALA A 7 -2.870 -2.609 6.423 1.00 71.22 H new ATOM 0 HA ALA A 7 -5.713 -2.994 6.658 1.00 24.22 H new ATOM 0 HB1 ALA A 7 -5.635 -2.731 4.211 1.00 52.23 H new ATOM 0 HB2 ALA A 7 -4.729 -1.443 5.041 1.00 52.23 H new ATOM 0 HB3 ALA A 7 -3.857 -2.786 4.265 1.00 52.23 H new ATOM 115 N LYS A 8 -5.880 -5.184 4.997 1.00 73.15 N ATOM 116 CA LYS A 8 -6.111 -6.592 4.696 1.00 54.12 C ATOM 117 C LYS A 8 -6.252 -6.802 3.195 1.00 21.50 C ATOM 118 O LYS A 8 -6.359 -5.838 2.436 1.00 33.25 O ATOM 119 CB LYS A 8 -7.370 -7.092 5.418 1.00 2.11 C ATOM 120 CG LYS A 8 -7.263 -7.045 6.935 1.00 5.33 C ATOM 121 CD LYS A 8 -6.187 -7.987 7.454 1.00 24.52 C ATOM 122 CE LYS A 8 -5.964 -7.812 8.948 1.00 71.54 C ATOM 123 NZ LYS A 8 -5.404 -6.471 9.270 1.00 70.52 N ATOM 0 H LYS A 8 -6.507 -4.541 4.513 1.00 73.15 H new ATOM 0 HA LYS A 8 -5.252 -7.163 5.048 1.00 54.12 H new ATOM 0 HB2 LYS A 8 -8.222 -6.489 5.104 1.00 2.11 H new ATOM 0 HB3 LYS A 8 -7.573 -8.117 5.108 1.00 2.11 H new ATOM 0 HG2 LYS A 8 -7.039 -6.027 7.252 1.00 5.33 H new ATOM 0 HG3 LYS A 8 -8.223 -7.312 7.376 1.00 5.33 H new ATOM 0 HD2 LYS A 8 -6.474 -9.018 7.247 1.00 24.52 H new ATOM 0 HD3 LYS A 8 -5.254 -7.803 6.922 1.00 24.52 H new ATOM 0 HE2 LYS A 8 -6.909 -7.947 9.475 1.00 71.54 H new ATOM 0 HE3 LYS A 8 -5.285 -8.585 9.307 1.00 71.54 H new ATOM 0 HZ1 LYS A 8 -4.684 -6.565 10.014 1.00 70.52 H new ATOM 0 HZ2 LYS A 8 -4.970 -6.062 8.418 1.00 70.52 H new ATOM 0 HZ3 LYS A 8 -6.167 -5.847 9.603 1.00 70.52 H new ATOM 137 N CYS A 9 -6.261 -8.062 2.771 1.00 25.42 N ATOM 138 CA CYS A 9 -6.362 -8.389 1.356 1.00 3.44 C ATOM 139 C CYS A 9 -7.781 -8.167 0.848 1.00 61.14 C ATOM 140 O CYS A 9 -8.748 -8.321 1.594 1.00 41.12 O ATOM 141 CB CYS A 9 -5.924 -9.835 1.110 1.00 24.41 C ATOM 142 SG CYS A 9 -6.844 -11.068 2.058 1.00 51.41 S ATOM 0 H CYS A 9 -6.200 -8.872 3.388 1.00 25.42 H new ATOM 0 HA CYS A 9 -5.696 -7.725 0.804 1.00 3.44 H new ATOM 0 HB2 CYS A 9 -6.030 -10.058 0.048 1.00 24.41 H new ATOM 0 HB3 CYS A 9 -4.865 -9.926 1.350 1.00 24.41 H new ATOM 0 HG CYS A 9 -6.397 -12.255 1.775 1.00 51.41 H new ATOM 148 N GLY A 10 -7.899 -7.779 -0.418 1.00 2.22 N ATOM 149 CA GLY A 10 -9.202 -7.527 -1.003 1.00 22.13 C ATOM 150 C GLY A 10 -9.688 -6.117 -0.737 1.00 2.00 C ATOM 151 O GLY A 10 -10.777 -5.731 -1.164 1.00 13.31 O ATOM 0 H GLY A 10 -7.112 -7.634 -1.051 1.00 2.22 H new ATOM 0 HA2 GLY A 10 -9.154 -7.695 -2.079 1.00 22.13 H new ATOM 0 HA3 GLY A 10 -9.922 -8.239 -0.601 1.00 22.13 H new ATOM 155 N GLN A 11 -8.874 -5.349 -0.033 1.00 35.51 N ATOM 156 CA GLN A 11 -9.216 -3.980 0.318 1.00 4.23 C ATOM 157 C GLN A 11 -8.523 -2.999 -0.620 1.00 22.10 C ATOM 158 O GLN A 11 -7.389 -3.229 -1.046 1.00 22.45 O ATOM 159 CB GLN A 11 -8.815 -3.697 1.767 1.00 71.32 C ATOM 160 CG GLN A 11 -9.542 -4.567 2.784 1.00 12.30 C ATOM 161 CD GLN A 11 -10.982 -4.143 3.009 1.00 52.12 C ATOM 162 OE1 GLN A 11 -11.624 -3.569 2.128 1.00 71.13 O ATOM 163 NE2 GLN A 11 -11.508 -4.431 4.188 1.00 41.00 N ATOM 0 H GLN A 11 -7.963 -5.654 0.310 1.00 35.51 H new ATOM 0 HA GLN A 11 -10.294 -3.852 0.216 1.00 4.23 H new ATOM 0 HB2 GLN A 11 -7.741 -3.849 1.874 1.00 71.32 H new ATOM 0 HB3 GLN A 11 -9.013 -2.649 1.991 1.00 71.32 H new ATOM 0 HG2 GLN A 11 -9.523 -5.603 2.446 1.00 12.30 H new ATOM 0 HG3 GLN A 11 -9.006 -4.531 3.733 1.00 12.30 H new ATOM 0 HE21 GLN A 11 -10.947 -4.907 4.894 1.00 41.00 H new ATOM 0 HE22 GLN A 11 -12.475 -4.177 4.391 1.00 41.00 H new ATOM 172 N THR A 12 -9.216 -1.923 -0.949 1.00 61.11 N ATOM 173 CA THR A 12 -8.661 -0.890 -1.807 1.00 43.11 C ATOM 174 C THR A 12 -8.281 0.334 -0.984 1.00 72.32 C ATOM 175 O THR A 12 -9.145 1.031 -0.449 1.00 5.24 O ATOM 176 CB THR A 12 -9.666 -0.480 -2.898 1.00 63.10 C ATOM 177 OG1 THR A 12 -10.183 -1.653 -3.539 1.00 42.34 O ATOM 178 CG2 THR A 12 -9.012 0.424 -3.934 1.00 5.50 C ATOM 0 H THR A 12 -10.169 -1.741 -0.633 1.00 61.11 H new ATOM 0 HA THR A 12 -7.770 -1.297 -2.285 1.00 43.11 H new ATOM 0 HB THR A 12 -10.479 0.073 -2.427 1.00 63.10 H new ATOM 0 HG1 THR A 12 -10.824 -1.391 -4.232 1.00 42.34 H new ATOM 0 HG21 THR A 12 -9.745 0.698 -4.693 1.00 5.50 H new ATOM 0 HG22 THR A 12 -8.639 1.325 -3.447 1.00 5.50 H new ATOM 0 HG23 THR A 12 -8.182 -0.103 -4.405 1.00 5.50 H new ATOM 186 N VAL A 13 -6.988 0.587 -0.882 1.00 32.13 N ATOM 187 CA VAL A 13 -6.489 1.718 -0.115 1.00 61.41 C ATOM 188 C VAL A 13 -5.848 2.758 -1.033 1.00 42.02 C ATOM 189 O VAL A 13 -5.506 2.463 -2.169 1.00 52.30 O ATOM 190 CB VAL A 13 -5.450 1.270 0.938 1.00 24.32 C ATOM 191 CG1 VAL A 13 -6.063 0.289 1.925 1.00 64.40 C ATOM 192 CG2 VAL A 13 -4.233 0.653 0.263 1.00 24.14 C ATOM 0 H VAL A 13 -6.261 0.023 -1.322 1.00 32.13 H new ATOM 0 HA VAL A 13 -7.345 2.160 0.396 1.00 61.41 H new ATOM 0 HB VAL A 13 -5.130 2.153 1.490 1.00 24.32 H new ATOM 0 HG11 VAL A 13 -5.311 -0.010 2.655 1.00 64.40 H new ATOM 0 HG12 VAL A 13 -6.899 0.764 2.439 1.00 64.40 H new ATOM 0 HG13 VAL A 13 -6.419 -0.591 1.390 1.00 64.40 H new ATOM 0 HG21 VAL A 13 -3.514 0.344 1.022 1.00 24.14 H new ATOM 0 HG22 VAL A 13 -4.541 -0.215 -0.320 1.00 24.14 H new ATOM 0 HG23 VAL A 13 -3.772 1.388 -0.397 1.00 24.14 H new ATOM 202 N LYS A 14 -5.713 3.972 -0.533 1.00 44.51 N ATOM 203 CA LYS A 14 -5.068 5.052 -1.266 1.00 54.31 C ATOM 204 C LYS A 14 -3.878 5.572 -0.469 1.00 32.04 C ATOM 205 O LYS A 14 -3.990 5.795 0.730 1.00 52.45 O ATOM 206 CB LYS A 14 -6.067 6.187 -1.510 1.00 12.34 C ATOM 207 CG LYS A 14 -5.448 7.428 -2.138 1.00 73.34 C ATOM 208 CD LYS A 14 -5.853 8.691 -1.391 1.00 72.15 C ATOM 209 CE LYS A 14 -7.346 8.951 -1.491 1.00 23.11 C ATOM 210 NZ LYS A 14 -7.761 10.115 -0.663 1.00 32.23 N ATOM 0 H LYS A 14 -6.047 4.240 0.393 1.00 44.51 H new ATOM 0 HA LYS A 14 -4.720 4.674 -2.227 1.00 54.31 H new ATOM 0 HB2 LYS A 14 -6.865 5.823 -2.158 1.00 12.34 H new ATOM 0 HB3 LYS A 14 -6.528 6.463 -0.561 1.00 12.34 H new ATOM 0 HG2 LYS A 14 -4.362 7.335 -2.136 1.00 73.34 H new ATOM 0 HG3 LYS A 14 -5.760 7.504 -3.180 1.00 73.34 H new ATOM 0 HD2 LYS A 14 -5.569 8.600 -0.343 1.00 72.15 H new ATOM 0 HD3 LYS A 14 -5.308 9.543 -1.796 1.00 72.15 H new ATOM 0 HE2 LYS A 14 -7.615 9.131 -2.532 1.00 23.11 H new ATOM 0 HE3 LYS A 14 -7.892 8.064 -1.170 1.00 23.11 H new ATOM 0 HZ1 LYS A 14 -8.751 10.355 -0.873 1.00 32.23 H new ATOM 0 HZ2 LYS A 14 -7.670 9.874 0.345 1.00 32.23 H new ATOM 0 HZ3 LYS A 14 -7.153 10.930 -0.881 1.00 32.23 H new ATOM 224 N VAL A 15 -2.748 5.771 -1.123 1.00 24.13 N ATOM 225 CA VAL A 15 -1.552 6.239 -0.435 1.00 12.14 C ATOM 226 C VAL A 15 -1.713 7.697 -0.016 1.00 53.11 C ATOM 227 O VAL A 15 -1.960 8.567 -0.856 1.00 3.24 O ATOM 228 CB VAL A 15 -0.294 6.099 -1.315 1.00 40.22 C ATOM 229 CG1 VAL A 15 0.946 6.521 -0.543 1.00 13.23 C ATOM 230 CG2 VAL A 15 -0.151 4.672 -1.818 1.00 24.41 C ATOM 0 H VAL A 15 -2.630 5.618 -2.125 1.00 24.13 H new ATOM 0 HA VAL A 15 -1.425 5.614 0.449 1.00 12.14 H new ATOM 0 HB VAL A 15 -0.402 6.757 -2.177 1.00 40.22 H new ATOM 0 HG11 VAL A 15 1.824 6.416 -1.180 1.00 13.23 H new ATOM 0 HG12 VAL A 15 0.845 7.561 -0.233 1.00 13.23 H new ATOM 0 HG13 VAL A 15 1.059 5.889 0.338 1.00 13.23 H new ATOM 0 HG21 VAL A 15 0.742 4.592 -2.437 1.00 24.41 H new ATOM 0 HG22 VAL A 15 -0.066 3.994 -0.969 1.00 24.41 H new ATOM 0 HG23 VAL A 15 -1.027 4.405 -2.409 1.00 24.41 H new ATOM 240 N VAL A 16 -1.592 7.962 1.280 1.00 60.44 N ATOM 241 CA VAL A 16 -1.725 9.319 1.787 1.00 60.13 C ATOM 242 C VAL A 16 -0.413 9.853 2.350 1.00 54.21 C ATOM 243 O VAL A 16 -0.141 11.051 2.259 1.00 64.24 O ATOM 244 CB VAL A 16 -2.838 9.443 2.856 1.00 63.22 C ATOM 245 CG1 VAL A 16 -4.164 9.802 2.204 1.00 31.21 C ATOM 246 CG2 VAL A 16 -2.986 8.159 3.645 1.00 22.01 C ATOM 0 H VAL A 16 -1.403 7.258 1.994 1.00 60.44 H new ATOM 0 HA VAL A 16 -2.007 9.926 0.927 1.00 60.13 H new ATOM 0 HB VAL A 16 -2.550 10.238 3.544 1.00 63.22 H new ATOM 0 HG11 VAL A 16 -4.935 9.885 2.970 1.00 31.21 H new ATOM 0 HG12 VAL A 16 -4.067 10.754 1.682 1.00 31.21 H new ATOM 0 HG13 VAL A 16 -4.442 9.025 1.492 1.00 31.21 H new ATOM 0 HG21 VAL A 16 -3.775 8.277 4.388 1.00 22.01 H new ATOM 0 HG22 VAL A 16 -3.244 7.344 2.969 1.00 22.01 H new ATOM 0 HG23 VAL A 16 -2.046 7.930 4.147 1.00 22.01 H new ATOM 256 N LYS A 17 0.413 8.979 2.914 1.00 31.55 N ATOM 257 CA LYS A 17 1.677 9.417 3.498 1.00 54.13 C ATOM 258 C LYS A 17 2.812 8.456 3.165 1.00 32.11 C ATOM 259 O LYS A 17 2.739 7.265 3.463 1.00 42.53 O ATOM 260 CB LYS A 17 1.548 9.525 5.012 1.00 64.11 C ATOM 261 CG LYS A 17 2.597 10.418 5.652 1.00 2.54 C ATOM 262 CD LYS A 17 2.277 11.896 5.461 1.00 70.25 C ATOM 263 CE LYS A 17 1.165 12.371 6.394 1.00 43.35 C ATOM 264 NZ LYS A 17 -0.174 11.823 6.035 1.00 62.04 N ATOM 0 H LYS A 17 0.235 7.977 2.980 1.00 31.55 H new ATOM 0 HA LYS A 17 1.911 10.393 3.072 1.00 54.13 H new ATOM 0 HB2 LYS A 17 0.558 9.909 5.257 1.00 64.11 H new ATOM 0 HB3 LYS A 17 1.619 8.528 5.446 1.00 64.11 H new ATOM 0 HG2 LYS A 17 2.663 10.195 6.717 1.00 2.54 H new ATOM 0 HG3 LYS A 17 3.573 10.199 5.220 1.00 2.54 H new ATOM 0 HD2 LYS A 17 3.176 12.487 5.639 1.00 70.25 H new ATOM 0 HD3 LYS A 17 1.981 12.071 4.427 1.00 70.25 H new ATOM 0 HE2 LYS A 17 1.408 12.080 7.416 1.00 43.35 H new ATOM 0 HE3 LYS A 17 1.123 13.460 6.374 1.00 43.35 H new ATOM 0 HZ1 LYS A 17 -0.916 12.406 6.472 1.00 62.04 H new ATOM 0 HZ2 LYS A 17 -0.288 11.835 5.001 1.00 62.04 H new ATOM 0 HZ3 LYS A 17 -0.253 10.845 6.380 1.00 62.04 H new ATOM 278 N LEU A 18 3.866 8.988 2.564 1.00 54.42 N ATOM 279 CA LEU A 18 5.060 8.209 2.276 1.00 64.21 C ATOM 280 C LEU A 18 6.159 8.559 3.273 1.00 65.44 C ATOM 281 O LEU A 18 6.773 9.620 3.173 1.00 74.12 O ATOM 282 CB LEU A 18 5.558 8.481 0.851 1.00 54.11 C ATOM 283 CG LEU A 18 4.640 8.001 -0.274 1.00 71.54 C ATOM 284 CD1 LEU A 18 5.156 8.492 -1.615 1.00 15.03 C ATOM 285 CD2 LEU A 18 4.546 6.485 -0.267 1.00 32.03 C ATOM 0 H LEU A 18 3.918 9.962 2.265 1.00 54.42 H new ATOM 0 HA LEU A 18 4.808 7.152 2.362 1.00 64.21 H new ATOM 0 HB2 LEU A 18 5.711 9.554 0.738 1.00 54.11 H new ATOM 0 HB3 LEU A 18 6.531 8.006 0.729 1.00 54.11 H new ATOM 0 HG LEU A 18 3.643 8.411 -0.112 1.00 71.54 H new ATOM 0 HD11 LEU A 18 4.495 8.144 -2.409 1.00 15.03 H new ATOM 0 HD12 LEU A 18 5.184 9.582 -1.617 1.00 15.03 H new ATOM 0 HD13 LEU A 18 6.160 8.103 -1.783 1.00 15.03 H new ATOM 0 HD21 LEU A 18 3.889 6.157 -1.073 1.00 32.03 H new ATOM 0 HD22 LEU A 18 5.539 6.058 -0.411 1.00 32.03 H new ATOM 0 HD23 LEU A 18 4.143 6.150 0.689 1.00 32.03 H new ATOM 297 N HIS A 19 6.378 7.690 4.252 1.00 62.40 N ATOM 298 CA HIS A 19 7.448 7.898 5.219 1.00 61.52 C ATOM 299 C HIS A 19 8.787 7.502 4.612 1.00 1.43 C ATOM 300 O HIS A 19 8.844 6.951 3.513 1.00 73.44 O ATOM 301 CB HIS A 19 7.195 7.102 6.502 1.00 61.50 C ATOM 302 CG HIS A 19 6.032 7.603 7.306 1.00 75.15 C ATOM 303 ND1 HIS A 19 6.165 8.115 8.575 1.00 53.31 N ATOM 304 CD2 HIS A 19 4.708 7.663 7.016 1.00 60.11 C ATOM 305 CE1 HIS A 19 4.981 8.465 9.033 1.00 34.52 C ATOM 306 NE2 HIS A 19 4.079 8.202 8.110 1.00 25.23 N ATOM 0 H HIS A 19 5.833 6.840 4.397 1.00 62.40 H new ATOM 0 HA HIS A 19 7.471 8.957 5.476 1.00 61.52 H new ATOM 0 HB2 HIS A 19 7.022 6.058 6.242 1.00 61.50 H new ATOM 0 HB3 HIS A 19 8.092 7.132 7.120 1.00 61.50 H new ATOM 0 HD2 HIS A 19 4.238 7.346 6.097 1.00 60.11 H new ATOM 0 HE1 HIS A 19 4.783 8.896 10.003 1.00 34.52 H new ATOM 0 HE2 HIS A 19 3.077 8.371 8.195 1.00 25.23 H new ATOM 315 N GLY A 20 9.856 7.775 5.338 1.00 13.34 N ATOM 316 CA GLY A 20 11.181 7.515 4.829 1.00 12.11 C ATOM 317 C GLY A 20 11.792 8.759 4.232 1.00 40.43 C ATOM 318 O GLY A 20 11.147 9.805 4.186 1.00 44.13 O ATOM 0 H GLY A 20 9.829 8.174 6.276 1.00 13.34 H new ATOM 0 HA2 GLY A 20 11.816 7.145 5.634 1.00 12.11 H new ATOM 0 HA3 GLY A 20 11.135 6.731 4.073 1.00 12.11 H new ATOM 322 N THR A 21 13.030 8.668 3.788 1.00 13.43 N ATOM 323 CA THR A 21 13.686 9.816 3.194 1.00 22.43 C ATOM 324 C THR A 21 14.381 9.437 1.895 1.00 22.40 C ATOM 325 O THR A 21 15.267 8.585 1.888 1.00 33.20 O ATOM 326 CB THR A 21 14.712 10.437 4.158 1.00 61.22 C ATOM 327 OG1 THR A 21 14.111 10.664 5.445 1.00 2.31 O ATOM 328 CG2 THR A 21 15.231 11.752 3.604 1.00 21.24 C ATOM 0 H THR A 21 13.597 7.821 3.826 1.00 13.43 H new ATOM 0 HA THR A 21 12.911 10.553 2.983 1.00 22.43 H new ATOM 0 HB THR A 21 15.545 9.742 4.266 1.00 61.22 H new ATOM 0 HG1 THR A 21 14.773 11.058 6.050 1.00 2.31 H new ATOM 0 HG21 THR A 21 15.956 12.178 4.298 1.00 21.24 H new ATOM 0 HG22 THR A 21 15.710 11.577 2.641 1.00 21.24 H new ATOM 0 HG23 THR A 21 14.400 12.446 3.475 1.00 21.24 H new ATOM 336 N GLY A 22 13.953 10.062 0.803 1.00 22.34 N ATOM 337 CA GLY A 22 14.605 9.881 -0.480 1.00 54.12 C ATOM 338 C GLY A 22 14.517 8.466 -1.015 1.00 65.11 C ATOM 339 O GLY A 22 13.563 8.128 -1.705 1.00 22.54 O ATOM 0 H GLY A 22 13.156 10.698 0.786 1.00 22.34 H new ATOM 0 HA2 GLY A 22 14.158 10.562 -1.204 1.00 54.12 H new ATOM 0 HA3 GLY A 22 15.655 10.160 -0.387 1.00 54.12 H new ATOM 343 N ALA A 23 15.511 7.647 -0.678 1.00 52.32 N ATOM 344 CA ALA A 23 15.626 6.287 -1.202 1.00 33.15 C ATOM 345 C ALA A 23 14.335 5.493 -1.026 1.00 14.11 C ATOM 346 O ALA A 23 13.823 4.911 -1.982 1.00 64.31 O ATOM 347 CB ALA A 23 16.783 5.567 -0.527 1.00 31.12 C ATOM 0 H ALA A 23 16.259 7.907 -0.035 1.00 52.32 H new ATOM 0 HA ALA A 23 15.817 6.361 -2.273 1.00 33.15 H new ATOM 0 HB1 ALA A 23 16.862 4.554 -0.923 1.00 31.12 H new ATOM 0 HB2 ALA A 23 17.710 6.106 -0.722 1.00 31.12 H new ATOM 0 HB3 ALA A 23 16.607 5.524 0.548 1.00 31.12 H new ATOM 353 N LEU A 24 13.810 5.484 0.195 1.00 54.30 N ATOM 354 CA LEU A 24 12.566 4.774 0.494 1.00 61.31 C ATOM 355 C LEU A 24 11.429 5.277 -0.387 1.00 60.03 C ATOM 356 O LEU A 24 10.747 4.496 -1.048 1.00 42.34 O ATOM 357 CB LEU A 24 12.189 4.935 1.972 1.00 62.52 C ATOM 358 CG LEU A 24 12.882 3.979 2.951 1.00 1.43 C ATOM 359 CD1 LEU A 24 12.559 2.534 2.606 1.00 12.24 C ATOM 360 CD2 LEU A 24 14.387 4.198 2.964 1.00 44.10 C ATOM 0 H LEU A 24 14.225 5.960 0.996 1.00 54.30 H new ATOM 0 HA LEU A 24 12.729 3.717 0.286 1.00 61.31 H new ATOM 0 HB2 LEU A 24 12.413 5.958 2.274 1.00 62.52 H new ATOM 0 HB3 LEU A 24 11.111 4.803 2.068 1.00 62.52 H new ATOM 0 HG LEU A 24 12.503 4.193 3.950 1.00 1.43 H new ATOM 0 HD11 LEU A 24 13.060 1.871 3.312 1.00 12.24 H new ATOM 0 HD12 LEU A 24 11.482 2.378 2.663 1.00 12.24 H new ATOM 0 HD13 LEU A 24 12.904 2.315 1.595 1.00 12.24 H new ATOM 0 HD21 LEU A 24 14.849 3.506 3.667 1.00 44.10 H new ATOM 0 HD22 LEU A 24 14.789 4.023 1.966 1.00 44.10 H new ATOM 0 HD23 LEU A 24 14.603 5.222 3.268 1.00 44.10 H new ATOM 372 N LYS A 25 11.252 6.589 -0.402 1.00 25.34 N ATOM 373 CA LYS A 25 10.213 7.223 -1.203 1.00 31.11 C ATOM 374 C LYS A 25 10.400 6.911 -2.683 1.00 24.51 C ATOM 375 O LYS A 25 9.489 6.415 -3.342 1.00 2.32 O ATOM 376 CB LYS A 25 10.249 8.735 -0.986 1.00 44.24 C ATOM 377 CG LYS A 25 9.852 9.158 0.417 1.00 10.12 C ATOM 378 CD LYS A 25 9.958 10.664 0.594 1.00 35.35 C ATOM 379 CE LYS A 25 9.528 11.083 1.988 1.00 42.03 C ATOM 380 NZ LYS A 25 9.670 12.546 2.205 1.00 21.12 N ATOM 0 H LYS A 25 11.820 7.242 0.137 1.00 25.34 H new ATOM 0 HA LYS A 25 9.246 6.830 -0.889 1.00 31.11 H new ATOM 0 HB2 LYS A 25 11.255 9.100 -1.195 1.00 44.24 H new ATOM 0 HB3 LYS A 25 9.581 9.212 -1.703 1.00 44.24 H new ATOM 0 HG2 LYS A 25 8.830 8.838 0.620 1.00 10.12 H new ATOM 0 HG3 LYS A 25 10.493 8.659 1.144 1.00 10.12 H new ATOM 0 HD2 LYS A 25 10.985 10.983 0.416 1.00 35.35 H new ATOM 0 HD3 LYS A 25 9.336 11.165 -0.148 1.00 35.35 H new ATOM 0 HE2 LYS A 25 8.490 10.793 2.148 1.00 42.03 H new ATOM 0 HE3 LYS A 25 10.126 10.549 2.726 1.00 42.03 H new ATOM 0 HZ1 LYS A 25 9.365 12.785 3.170 1.00 21.12 H new ATOM 0 HZ2 LYS A 25 10.665 12.821 2.079 1.00 21.12 H new ATOM 0 HZ3 LYS A 25 9.080 13.058 1.518 1.00 21.12 H new ATOM 394 N ARG A 26 11.598 7.182 -3.181 1.00 23.12 N ATOM 395 CA ARG A 26 11.928 7.005 -4.590 1.00 53.00 C ATOM 396 C ARG A 26 11.691 5.559 -5.028 1.00 4.41 C ATOM 397 O ARG A 26 11.185 5.311 -6.121 1.00 55.32 O ATOM 398 CB ARG A 26 13.392 7.418 -4.818 1.00 30.24 C ATOM 399 CG ARG A 26 13.814 7.537 -6.278 1.00 31.12 C ATOM 400 CD ARG A 26 14.166 6.192 -6.887 1.00 54.05 C ATOM 401 NE ARG A 26 14.566 6.318 -8.284 1.00 5.30 N ATOM 402 CZ ARG A 26 14.500 5.333 -9.172 1.00 34.44 C ATOM 403 NH1 ARG A 26 14.071 4.132 -8.808 1.00 32.02 N ATOM 404 NH2 ARG A 26 14.872 5.552 -10.422 1.00 72.32 N ATOM 0 H ARG A 26 12.373 7.532 -2.617 1.00 23.12 H new ATOM 0 HA ARG A 26 11.279 7.637 -5.195 1.00 53.00 H new ATOM 0 HB2 ARG A 26 13.563 8.377 -4.328 1.00 30.24 H new ATOM 0 HB3 ARG A 26 14.038 6.690 -4.328 1.00 30.24 H new ATOM 0 HG2 ARG A 26 13.007 7.993 -6.851 1.00 31.12 H new ATOM 0 HG3 ARG A 26 14.673 8.203 -6.352 1.00 31.12 H new ATOM 0 HD2 ARG A 26 14.975 5.735 -6.317 1.00 54.05 H new ATOM 0 HD3 ARG A 26 13.308 5.524 -6.813 1.00 54.05 H new ATOM 0 HE ARG A 26 14.919 7.221 -8.599 1.00 5.30 H new ATOM 0 HH11 ARG A 26 13.790 3.962 -7.842 1.00 32.02 H new ATOM 0 HH12 ARG A 26 14.022 3.378 -9.494 1.00 32.02 H new ATOM 0 HH21 ARG A 26 15.208 6.474 -10.700 1.00 72.32 H new ATOM 0 HH22 ARG A 26 14.823 4.799 -11.108 1.00 72.32 H new ATOM 418 N ARG A 27 12.051 4.618 -4.164 1.00 14.31 N ATOM 419 CA ARG A 27 11.902 3.198 -4.459 1.00 52.01 C ATOM 420 C ARG A 27 10.433 2.854 -4.698 1.00 24.52 C ATOM 421 O ARG A 27 10.079 2.248 -5.712 1.00 51.10 O ATOM 422 CB ARG A 27 12.440 2.365 -3.292 1.00 72.13 C ATOM 423 CG ARG A 27 12.600 0.890 -3.611 1.00 63.33 C ATOM 424 CD ARG A 27 13.755 0.658 -4.568 1.00 4.11 C ATOM 425 NE ARG A 27 13.927 -0.757 -4.886 1.00 54.11 N ATOM 426 CZ ARG A 27 15.080 -1.416 -4.744 1.00 35.41 C ATOM 427 NH1 ARG A 27 16.140 -0.805 -4.227 1.00 63.24 N ATOM 428 NH2 ARG A 27 15.166 -2.691 -5.098 1.00 75.44 N ATOM 0 H ARG A 27 12.451 4.815 -3.247 1.00 14.31 H new ATOM 0 HA ARG A 27 12.469 2.969 -5.361 1.00 52.01 H new ATOM 0 HB2 ARG A 27 13.406 2.767 -2.986 1.00 72.13 H new ATOM 0 HB3 ARG A 27 11.767 2.472 -2.442 1.00 72.13 H new ATOM 0 HG2 ARG A 27 12.770 0.332 -2.690 1.00 63.33 H new ATOM 0 HG3 ARG A 27 11.678 0.508 -4.050 1.00 63.33 H new ATOM 0 HD2 ARG A 27 13.582 1.218 -5.487 1.00 4.11 H new ATOM 0 HD3 ARG A 27 14.674 1.045 -4.128 1.00 4.11 H new ATOM 0 HE ARG A 27 13.120 -1.272 -5.237 1.00 54.11 H new ATOM 0 HH11 ARG A 27 16.075 0.171 -3.937 1.00 63.24 H new ATOM 0 HH12 ARG A 27 17.019 -1.312 -4.120 1.00 63.24 H new ATOM 0 HH21 ARG A 27 14.351 -3.170 -5.480 1.00 75.44 H new ATOM 0 HH22 ARG A 27 16.048 -3.192 -4.989 1.00 75.44 H new ATOM 442 N ILE A 28 9.589 3.256 -3.761 1.00 32.45 N ATOM 443 CA ILE A 28 8.162 2.990 -3.838 1.00 1.41 C ATOM 444 C ILE A 28 7.500 3.785 -4.971 1.00 42.11 C ATOM 445 O ILE A 28 6.703 3.240 -5.741 1.00 61.32 O ATOM 446 CB ILE A 28 7.487 3.320 -2.489 1.00 22.32 C ATOM 447 CG1 ILE A 28 8.191 2.564 -1.358 1.00 10.12 C ATOM 448 CG2 ILE A 28 6.007 2.970 -2.521 1.00 1.25 C ATOM 449 CD1 ILE A 28 7.677 2.906 0.024 1.00 44.40 C ATOM 0 H ILE A 28 9.873 3.774 -2.929 1.00 32.45 H new ATOM 0 HA ILE A 28 8.031 1.930 -4.056 1.00 1.41 H new ATOM 0 HB ILE A 28 7.574 4.392 -2.310 1.00 22.32 H new ATOM 0 HG12 ILE A 28 8.074 1.493 -1.523 1.00 10.12 H new ATOM 0 HG13 ILE A 28 9.259 2.779 -1.401 1.00 10.12 H new ATOM 0 HG21 ILE A 28 5.555 3.212 -1.559 1.00 1.25 H new ATOM 0 HG22 ILE A 28 5.515 3.542 -3.307 1.00 1.25 H new ATOM 0 HG23 ILE A 28 5.889 1.905 -2.719 1.00 1.25 H new ATOM 0 HD11 ILE A 28 8.226 2.330 0.769 1.00 44.40 H new ATOM 0 HD12 ILE A 28 7.819 3.970 0.212 1.00 44.40 H new ATOM 0 HD13 ILE A 28 6.616 2.664 0.088 1.00 44.40 H new ATOM 461 N MET A 29 7.856 5.061 -5.093 1.00 60.14 N ATOM 462 CA MET A 29 7.225 5.945 -6.076 1.00 73.12 C ATOM 463 C MET A 29 7.544 5.528 -7.506 1.00 51.10 C ATOM 464 O MET A 29 6.705 5.666 -8.400 1.00 22.31 O ATOM 465 CB MET A 29 7.643 7.400 -5.863 1.00 75.22 C ATOM 466 CG MET A 29 7.133 7.995 -4.561 1.00 71.11 C ATOM 467 SD MET A 29 7.448 9.767 -4.424 1.00 44.15 S ATOM 468 CE MET A 29 9.234 9.819 -4.565 1.00 11.12 C ATOM 0 H MET A 29 8.576 5.508 -4.526 1.00 60.14 H new ATOM 0 HA MET A 29 6.149 5.857 -5.925 1.00 73.12 H new ATOM 0 HB2 MET A 29 8.731 7.463 -5.880 1.00 75.22 H new ATOM 0 HB3 MET A 29 7.276 8.000 -6.695 1.00 75.22 H new ATOM 0 HG2 MET A 29 6.061 7.815 -4.481 1.00 71.11 H new ATOM 0 HG3 MET A 29 7.606 7.482 -3.724 1.00 71.11 H new ATOM 0 HE1 MET A 29 9.634 10.540 -3.852 1.00 11.12 H new ATOM 0 HE2 MET A 29 9.645 8.832 -4.352 1.00 11.12 H new ATOM 0 HE3 MET A 29 9.511 10.117 -5.576 1.00 11.12 H new ATOM 478 N ASP A 30 8.748 5.011 -7.722 1.00 23.13 N ATOM 479 CA ASP A 30 9.184 4.611 -9.060 1.00 13.23 C ATOM 480 C ASP A 30 8.312 3.482 -9.605 1.00 1.23 C ATOM 481 O ASP A 30 8.109 3.363 -10.811 1.00 41.04 O ATOM 482 CB ASP A 30 10.651 4.175 -9.041 1.00 41.04 C ATOM 483 CG ASP A 30 11.155 3.758 -10.410 1.00 63.34 C ATOM 484 OD1 ASP A 30 10.978 4.526 -11.379 1.00 34.55 O ATOM 485 OD2 ASP A 30 11.744 2.663 -10.518 1.00 53.15 O ATOM 0 H ASP A 30 9.441 4.858 -6.990 1.00 23.13 H new ATOM 0 HA ASP A 30 9.081 5.475 -9.716 1.00 13.23 H new ATOM 0 HB2 ASP A 30 11.265 4.994 -8.666 1.00 41.04 H new ATOM 0 HB3 ASP A 30 10.770 3.344 -8.346 1.00 41.04 H new ATOM 491 N MET A 31 7.765 2.679 -8.703 1.00 10.30 N ATOM 492 CA MET A 31 6.932 1.552 -9.094 1.00 61.42 C ATOM 493 C MET A 31 5.506 2.006 -9.409 1.00 24.21 C ATOM 494 O MET A 31 4.670 1.212 -9.841 1.00 64.30 O ATOM 495 CB MET A 31 6.922 0.498 -7.986 1.00 51.20 C ATOM 496 CG MET A 31 8.299 -0.078 -7.687 1.00 31.34 C ATOM 497 SD MET A 31 8.273 -1.310 -6.369 1.00 52.22 S ATOM 498 CE MET A 31 7.676 -0.316 -5.002 1.00 72.04 C ATOM 0 H MET A 31 7.883 2.788 -7.696 1.00 10.30 H new ATOM 0 HA MET A 31 7.353 1.113 -9.998 1.00 61.42 H new ATOM 0 HB2 MET A 31 6.517 0.941 -7.077 1.00 51.20 H new ATOM 0 HB3 MET A 31 6.252 -0.312 -8.272 1.00 51.20 H new ATOM 0 HG2 MET A 31 8.703 -0.531 -8.593 1.00 31.34 H new ATOM 0 HG3 MET A 31 8.973 0.732 -7.408 1.00 31.34 H new ATOM 0 HE1 MET A 31 8.384 -0.371 -4.175 1.00 72.04 H new ATOM 0 HE2 MET A 31 7.574 0.721 -5.323 1.00 72.04 H new ATOM 0 HE3 MET A 31 6.707 -0.692 -4.675 1.00 72.04 H new ATOM 508 N GLY A 32 5.238 3.290 -9.200 1.00 51.54 N ATOM 509 CA GLY A 32 3.924 3.834 -9.476 1.00 42.35 C ATOM 510 C GLY A 32 3.159 4.145 -8.209 1.00 63.22 C ATOM 511 O GLY A 32 2.035 4.643 -8.259 1.00 54.35 O ATOM 0 H GLY A 32 5.913 3.966 -8.842 1.00 51.54 H new ATOM 0 HA2 GLY A 32 4.026 4.742 -10.070 1.00 42.35 H new ATOM 0 HA3 GLY A 32 3.357 3.123 -10.076 1.00 42.35 H new ATOM 515 N ILE A 33 3.773 3.859 -7.072 1.00 74.32 N ATOM 516 CA ILE A 33 3.124 4.057 -5.787 1.00 32.15 C ATOM 517 C ILE A 33 3.518 5.398 -5.177 1.00 72.54 C ATOM 518 O ILE A 33 4.616 5.552 -4.647 1.00 62.40 O ATOM 519 CB ILE A 33 3.490 2.940 -4.793 1.00 65.11 C ATOM 520 CG1 ILE A 33 3.325 1.563 -5.437 1.00 60.21 C ATOM 521 CG2 ILE A 33 2.631 3.048 -3.542 1.00 3.53 C ATOM 522 CD1 ILE A 33 3.792 0.422 -4.556 1.00 3.45 C ATOM 0 H ILE A 33 4.721 3.488 -7.013 1.00 74.32 H new ATOM 0 HA ILE A 33 2.050 4.037 -5.971 1.00 32.15 H new ATOM 0 HB ILE A 33 4.536 3.059 -4.512 1.00 65.11 H new ATOM 0 HG12 ILE A 33 2.275 1.412 -5.687 1.00 60.21 H new ATOM 0 HG13 ILE A 33 3.882 1.540 -6.373 1.00 60.21 H new ATOM 0 HG21 ILE A 33 2.899 2.253 -2.847 1.00 3.53 H new ATOM 0 HG22 ILE A 33 2.798 4.015 -3.068 1.00 3.53 H new ATOM 0 HG23 ILE A 33 1.580 2.953 -3.813 1.00 3.53 H new ATOM 0 HD11 ILE A 33 3.645 -0.524 -5.077 1.00 3.45 H new ATOM 0 HD12 ILE A 33 4.850 0.549 -4.326 1.00 3.45 H new ATOM 0 HD13 ILE A 33 3.217 0.419 -3.630 1.00 3.45 H new ATOM 534 N THR A 34 2.631 6.368 -5.268 1.00 75.24 N ATOM 535 CA THR A 34 2.860 7.667 -4.664 1.00 50.34 C ATOM 536 C THR A 34 1.572 8.168 -4.024 1.00 74.24 C ATOM 537 O THR A 34 0.496 7.621 -4.280 1.00 55.10 O ATOM 538 CB THR A 34 3.389 8.689 -5.698 1.00 33.54 C ATOM 539 OG1 THR A 34 3.682 9.940 -5.063 1.00 61.32 O ATOM 540 CG2 THR A 34 2.382 8.912 -6.818 1.00 25.43 C ATOM 0 H THR A 34 1.740 6.281 -5.757 1.00 75.24 H new ATOM 0 HA THR A 34 3.625 7.558 -3.895 1.00 50.34 H new ATOM 0 HB THR A 34 4.303 8.279 -6.128 1.00 33.54 H new ATOM 0 HG1 THR A 34 4.017 10.575 -5.730 1.00 61.32 H new ATOM 0 HG21 THR A 34 2.782 9.635 -7.529 1.00 25.43 H new ATOM 0 HG22 THR A 34 2.191 7.968 -7.329 1.00 25.43 H new ATOM 0 HG23 THR A 34 1.450 9.293 -6.399 1.00 25.43 H new ATOM 548 N ARG A 35 1.684 9.189 -3.185 1.00 4.33 N ATOM 549 CA ARG A 35 0.528 9.721 -2.480 1.00 34.45 C ATOM 550 C ARG A 35 -0.504 10.250 -3.472 1.00 42.21 C ATOM 551 O ARG A 35 -0.200 11.081 -4.331 1.00 71.53 O ATOM 552 CB ARG A 35 0.924 10.808 -1.462 1.00 3.15 C ATOM 553 CG ARG A 35 1.558 12.067 -2.048 1.00 42.32 C ATOM 554 CD ARG A 35 3.004 11.845 -2.468 1.00 23.50 C ATOM 555 NE ARG A 35 3.681 13.102 -2.775 1.00 51.02 N ATOM 556 CZ ARG A 35 4.773 13.205 -3.534 1.00 12.31 C ATOM 557 NH1 ARG A 35 5.269 12.139 -4.156 1.00 62.52 N ATOM 558 NH2 ARG A 35 5.354 14.386 -3.685 1.00 35.24 N ATOM 0 H ARG A 35 2.562 9.664 -2.977 1.00 4.33 H new ATOM 0 HA ARG A 35 0.081 8.903 -1.915 1.00 34.45 H new ATOM 0 HB2 ARG A 35 0.034 11.098 -0.904 1.00 3.15 H new ATOM 0 HB3 ARG A 35 1.621 10.372 -0.746 1.00 3.15 H new ATOM 0 HG2 ARG A 35 0.978 12.395 -2.911 1.00 42.32 H new ATOM 0 HG3 ARG A 35 1.515 12.869 -1.311 1.00 42.32 H new ATOM 0 HD2 ARG A 35 3.539 11.330 -1.670 1.00 23.50 H new ATOM 0 HD3 ARG A 35 3.032 11.194 -3.342 1.00 23.50 H new ATOM 0 HE ARG A 35 3.292 13.959 -2.382 1.00 51.02 H new ATOM 0 HH11 ARG A 35 4.814 11.232 -4.055 1.00 62.52 H new ATOM 0 HH12 ARG A 35 6.105 12.229 -4.734 1.00 62.52 H new ATOM 0 HH21 ARG A 35 4.966 15.208 -3.222 1.00 35.24 H new ATOM 0 HH22 ARG A 35 6.189 14.473 -4.264 1.00 35.24 H new ATOM 572 N GLY A 36 -1.719 9.742 -3.352 1.00 30.52 N ATOM 573 CA GLY A 36 -2.771 10.088 -4.284 1.00 54.40 C ATOM 574 C GLY A 36 -3.242 8.879 -5.065 1.00 51.42 C ATOM 575 O GLY A 36 -4.414 8.777 -5.427 1.00 10.11 O ATOM 0 H GLY A 36 -1.998 9.090 -2.619 1.00 30.52 H new ATOM 0 HA2 GLY A 36 -3.611 10.521 -3.741 1.00 54.40 H new ATOM 0 HA3 GLY A 36 -2.410 10.850 -4.975 1.00 54.40 H new ATOM 579 N CYS A 37 -2.324 7.953 -5.306 1.00 53.10 N ATOM 580 CA CYS A 37 -2.634 6.731 -6.034 1.00 64.24 C ATOM 581 C CYS A 37 -3.216 5.683 -5.094 1.00 5.43 C ATOM 582 O CYS A 37 -2.924 5.678 -3.895 1.00 35.03 O ATOM 583 CB CYS A 37 -1.372 6.185 -6.704 1.00 43.24 C ATOM 584 SG CYS A 37 -0.579 7.344 -7.838 1.00 4.42 S ATOM 0 H CYS A 37 -1.352 8.026 -5.005 1.00 53.10 H new ATOM 0 HA CYS A 37 -3.374 6.963 -6.800 1.00 64.24 H new ATOM 0 HB2 CYS A 37 -0.657 5.902 -5.932 1.00 43.24 H new ATOM 0 HB3 CYS A 37 -1.627 5.277 -7.250 1.00 43.24 H new ATOM 0 HG CYS A 37 0.480 6.792 -8.352 1.00 4.42 H new ATOM 590 N GLU A 38 -4.045 4.802 -5.633 1.00 44.30 N ATOM 591 CA GLU A 38 -4.646 3.743 -4.838 1.00 24.21 C ATOM 592 C GLU A 38 -3.942 2.412 -5.083 1.00 31.54 C ATOM 593 O GLU A 38 -3.248 2.231 -6.086 1.00 53.10 O ATOM 594 CB GLU A 38 -6.149 3.608 -5.126 1.00 24.25 C ATOM 595 CG GLU A 38 -6.490 3.266 -6.570 1.00 10.34 C ATOM 596 CD GLU A 38 -6.343 4.449 -7.500 1.00 55.23 C ATOM 597 OE1 GLU A 38 -5.290 4.568 -8.156 1.00 64.43 O ATOM 598 OE2 GLU A 38 -7.281 5.269 -7.568 1.00 2.33 O ATOM 0 H GLU A 38 -4.316 4.800 -6.616 1.00 44.30 H new ATOM 0 HA GLU A 38 -4.525 4.015 -3.789 1.00 24.21 H new ATOM 0 HB2 GLU A 38 -6.562 2.836 -4.476 1.00 24.25 H new ATOM 0 HB3 GLU A 38 -6.642 4.544 -4.862 1.00 24.25 H new ATOM 0 HG2 GLU A 38 -5.842 2.459 -6.911 1.00 10.34 H new ATOM 0 HG3 GLU A 38 -7.514 2.895 -6.619 1.00 10.34 H new ATOM 606 N ILE A 39 -4.129 1.490 -4.157 1.00 60.51 N ATOM 607 CA ILE A 39 -3.518 0.180 -4.225 1.00 1.34 C ATOM 608 C ILE A 39 -4.544 -0.892 -3.881 1.00 24.15 C ATOM 609 O ILE A 39 -5.204 -0.821 -2.841 1.00 24.11 O ATOM 610 CB ILE A 39 -2.335 0.056 -3.236 1.00 34.00 C ATOM 611 CG1 ILE A 39 -1.254 1.098 -3.539 1.00 44.13 C ATOM 612 CG2 ILE A 39 -1.748 -1.345 -3.286 1.00 30.01 C ATOM 613 CD1 ILE A 39 -0.114 1.091 -2.541 1.00 3.32 C ATOM 0 H ILE A 39 -4.713 1.632 -3.333 1.00 60.51 H new ATOM 0 HA ILE A 39 -3.149 0.045 -5.242 1.00 1.34 H new ATOM 0 HB ILE A 39 -2.713 0.242 -2.231 1.00 34.00 H new ATOM 0 HG12 ILE A 39 -0.855 0.916 -4.537 1.00 44.13 H new ATOM 0 HG13 ILE A 39 -1.709 2.089 -3.553 1.00 44.13 H new ATOM 0 HG21 ILE A 39 -0.917 -1.416 -2.585 1.00 30.01 H new ATOM 0 HG22 ILE A 39 -2.515 -2.071 -3.015 1.00 30.01 H new ATOM 0 HG23 ILE A 39 -1.391 -1.554 -4.294 1.00 30.01 H new ATOM 0 HD11 ILE A 39 0.615 1.853 -2.816 1.00 3.32 H new ATOM 0 HD12 ILE A 39 -0.502 1.303 -1.544 1.00 3.32 H new ATOM 0 HD13 ILE A 39 0.366 0.112 -2.544 1.00 3.32 H new ATOM 625 N TYR A 40 -4.694 -1.869 -4.758 1.00 20.31 N ATOM 626 CA TYR A 40 -5.505 -3.034 -4.456 1.00 15.32 C ATOM 627 C TYR A 40 -4.631 -4.089 -3.797 1.00 4.34 C ATOM 628 O TYR A 40 -3.685 -4.592 -4.405 1.00 11.41 O ATOM 629 CB TYR A 40 -6.157 -3.597 -5.720 1.00 21.01 C ATOM 630 CG TYR A 40 -6.923 -4.881 -5.484 1.00 43.32 C ATOM 631 CD1 TYR A 40 -8.188 -4.863 -4.907 1.00 54.33 C ATOM 632 CD2 TYR A 40 -6.378 -6.110 -5.831 1.00 61.23 C ATOM 633 CE1 TYR A 40 -8.884 -6.037 -4.681 1.00 71.13 C ATOM 634 CE2 TYR A 40 -7.068 -7.286 -5.611 1.00 44.13 C ATOM 635 CZ TYR A 40 -8.320 -7.246 -5.035 1.00 30.00 C ATOM 636 OH TYR A 40 -9.007 -8.419 -4.812 1.00 31.11 O ATOM 0 H TYR A 40 -4.265 -1.878 -5.684 1.00 20.31 H new ATOM 0 HA TYR A 40 -6.305 -2.741 -3.776 1.00 15.32 H new ATOM 0 HB2 TYR A 40 -6.835 -2.850 -6.133 1.00 21.01 H new ATOM 0 HB3 TYR A 40 -5.385 -3.776 -6.468 1.00 21.01 H new ATOM 0 HD1 TYR A 40 -8.634 -3.919 -4.631 1.00 54.33 H new ATOM 0 HD2 TYR A 40 -5.397 -6.147 -6.281 1.00 61.23 H new ATOM 0 HE1 TYR A 40 -9.865 -6.008 -4.229 1.00 71.13 H new ATOM 0 HE2 TYR A 40 -6.629 -8.233 -5.889 1.00 44.13 H new ATOM 0 HH TYR A 40 -8.468 -9.177 -5.120 1.00 31.11 H new ATOM 646 N ILE A 41 -4.932 -4.410 -2.556 1.00 55.54 N ATOM 647 CA ILE A 41 -4.118 -5.351 -1.806 1.00 35.25 C ATOM 648 C ILE A 41 -4.478 -6.792 -2.158 1.00 51.13 C ATOM 649 O ILE A 41 -5.631 -7.205 -2.035 1.00 51.04 O ATOM 650 CB ILE A 41 -4.269 -5.131 -0.292 1.00 32.31 C ATOM 651 CG1 ILE A 41 -3.902 -3.687 0.064 1.00 44.22 C ATOM 652 CG2 ILE A 41 -3.392 -6.113 0.469 1.00 13.12 C ATOM 653 CD1 ILE A 41 -4.065 -3.362 1.531 1.00 4.41 C ATOM 0 H ILE A 41 -5.731 -4.036 -2.044 1.00 55.54 H new ATOM 0 HA ILE A 41 -3.079 -5.173 -2.083 1.00 35.25 H new ATOM 0 HB ILE A 41 -5.306 -5.305 -0.006 1.00 32.31 H new ATOM 0 HG12 ILE A 41 -2.868 -3.502 -0.227 1.00 44.22 H new ATOM 0 HG13 ILE A 41 -4.524 -3.009 -0.520 1.00 44.22 H new ATOM 0 HG21 ILE A 41 -3.507 -5.948 1.540 1.00 13.12 H new ATOM 0 HG22 ILE A 41 -3.690 -7.132 0.224 1.00 13.12 H new ATOM 0 HG23 ILE A 41 -2.350 -5.963 0.188 1.00 13.12 H new ATOM 0 HD11 ILE A 41 -3.787 -2.323 1.707 1.00 4.41 H new ATOM 0 HD12 ILE A 41 -5.104 -3.514 1.824 1.00 4.41 H new ATOM 0 HD13 ILE A 41 -3.422 -4.015 2.122 1.00 4.41 H new ATOM 665 N ARG A 42 -3.479 -7.546 -2.602 1.00 23.11 N ATOM 666 CA ARG A 42 -3.671 -8.935 -2.993 1.00 63.05 C ATOM 667 C ARG A 42 -3.457 -9.876 -1.816 1.00 11.00 C ATOM 668 O ARG A 42 -4.345 -10.648 -1.459 1.00 60.02 O ATOM 669 CB ARG A 42 -2.703 -9.306 -4.115 1.00 0.13 C ATOM 670 CG ARG A 42 -3.132 -8.835 -5.492 1.00 2.24 C ATOM 671 CD ARG A 42 -4.363 -9.586 -5.969 1.00 62.34 C ATOM 672 NE ARG A 42 -4.528 -9.488 -7.416 1.00 61.53 N ATOM 673 CZ ARG A 42 -4.046 -10.388 -8.272 1.00 55.32 C ATOM 674 NH1 ARG A 42 -3.468 -11.494 -7.824 1.00 74.31 N ATOM 675 NH2 ARG A 42 -4.170 -10.194 -9.578 1.00 25.40 N ATOM 0 H ARG A 42 -2.520 -7.213 -2.700 1.00 23.11 H new ATOM 0 HA ARG A 42 -4.698 -9.041 -3.342 1.00 63.05 H new ATOM 0 HB2 ARG A 42 -1.724 -8.884 -3.888 1.00 0.13 H new ATOM 0 HB3 ARG A 42 -2.586 -10.390 -4.135 1.00 0.13 H new ATOM 0 HG2 ARG A 42 -3.343 -7.766 -5.465 1.00 2.24 H new ATOM 0 HG3 ARG A 42 -2.316 -8.981 -6.200 1.00 2.24 H new ATOM 0 HD2 ARG A 42 -4.284 -10.635 -5.682 1.00 62.34 H new ATOM 0 HD3 ARG A 42 -5.248 -9.186 -5.474 1.00 62.34 H new ATOM 0 HE ARG A 42 -5.039 -8.689 -7.791 1.00 61.53 H new ATOM 0 HH11 ARG A 42 -3.391 -11.659 -6.820 1.00 74.31 H new ATOM 0 HH12 ARG A 42 -3.100 -12.180 -8.483 1.00 74.31 H new ATOM 0 HH21 ARG A 42 -4.634 -9.356 -9.927 1.00 25.40 H new ATOM 0 HH22 ARG A 42 -3.801 -10.883 -10.233 1.00 25.40 H new ATOM 689 N LYS A 43 -2.276 -9.808 -1.214 1.00 22.15 N ATOM 690 CA LYS A 43 -1.909 -10.739 -0.155 1.00 41.34 C ATOM 691 C LYS A 43 -1.137 -10.058 0.966 1.00 20.22 C ATOM 692 O LYS A 43 -0.027 -9.577 0.760 1.00 63.34 O ATOM 693 CB LYS A 43 -1.062 -11.886 -0.717 1.00 60.10 C ATOM 694 CG LYS A 43 -1.864 -12.969 -1.418 1.00 73.32 C ATOM 695 CD LYS A 43 -2.750 -13.722 -0.438 1.00 12.13 C ATOM 696 CE LYS A 43 -3.418 -14.920 -1.088 1.00 62.41 C ATOM 697 NZ LYS A 43 -4.189 -15.719 -0.102 1.00 71.33 N ATOM 0 H LYS A 43 -1.558 -9.120 -1.440 1.00 22.15 H new ATOM 0 HA LYS A 43 -2.840 -11.129 0.256 1.00 41.34 H new ATOM 0 HB2 LYS A 43 -0.336 -11.476 -1.419 1.00 60.10 H new ATOM 0 HB3 LYS A 43 -0.497 -12.338 0.098 1.00 60.10 H new ATOM 0 HG2 LYS A 43 -2.480 -12.521 -2.198 1.00 73.32 H new ATOM 0 HG3 LYS A 43 -1.186 -13.667 -1.909 1.00 73.32 H new ATOM 0 HD2 LYS A 43 -2.152 -14.055 0.410 1.00 12.13 H new ATOM 0 HD3 LYS A 43 -3.513 -13.049 -0.046 1.00 12.13 H new ATOM 0 HE2 LYS A 43 -4.084 -14.580 -1.881 1.00 62.41 H new ATOM 0 HE3 LYS A 43 -2.661 -15.550 -1.555 1.00 62.41 H new ATOM 0 HZ1 LYS A 43 -4.631 -16.529 -0.581 1.00 71.33 H new ATOM 0 HZ2 LYS A 43 -3.549 -16.064 0.642 1.00 71.33 H new ATOM 0 HZ3 LYS A 43 -4.927 -15.124 0.325 1.00 71.33 H new ATOM 711 N VAL A 44 -1.739 -10.018 2.141 1.00 70.44 N ATOM 712 CA VAL A 44 -1.035 -9.614 3.348 1.00 53.44 C ATOM 713 C VAL A 44 -0.939 -10.813 4.276 1.00 71.55 C ATOM 714 O VAL A 44 -1.954 -11.438 4.592 1.00 62.44 O ATOM 715 CB VAL A 44 -1.739 -8.449 4.084 1.00 12.04 C ATOM 716 CG1 VAL A 44 -1.041 -8.129 5.399 1.00 34.31 C ATOM 717 CG2 VAL A 44 -1.786 -7.217 3.203 1.00 71.22 C ATOM 0 H VAL A 44 -2.719 -10.261 2.287 1.00 70.44 H new ATOM 0 HA VAL A 44 -0.046 -9.259 3.058 1.00 53.44 H new ATOM 0 HB VAL A 44 -2.759 -8.761 4.308 1.00 12.04 H new ATOM 0 HG11 VAL A 44 -1.557 -7.307 5.894 1.00 34.31 H new ATOM 0 HG12 VAL A 44 -1.057 -9.008 6.043 1.00 34.31 H new ATOM 0 HG13 VAL A 44 -0.008 -7.843 5.202 1.00 34.31 H new ATOM 0 HG21 VAL A 44 -2.284 -6.407 3.736 1.00 71.22 H new ATOM 0 HG22 VAL A 44 -0.771 -6.913 2.948 1.00 71.22 H new ATOM 0 HG23 VAL A 44 -2.337 -7.443 2.290 1.00 71.22 H new ATOM 727 N ALA A 45 0.272 -11.159 4.679 1.00 13.44 N ATOM 728 CA ALA A 45 0.469 -12.290 5.567 1.00 5.21 C ATOM 729 C ALA A 45 -0.074 -11.973 6.954 1.00 42.24 C ATOM 730 O ALA A 45 0.010 -10.835 7.414 1.00 74.34 O ATOM 731 CB ALA A 45 1.942 -12.659 5.640 1.00 22.13 C ATOM 0 H ALA A 45 1.128 -10.676 4.407 1.00 13.44 H new ATOM 0 HA ALA A 45 -0.078 -13.145 5.169 1.00 5.21 H new ATOM 0 HB1 ALA A 45 2.071 -13.509 6.310 1.00 22.13 H new ATOM 0 HB2 ALA A 45 2.301 -12.923 4.645 1.00 22.13 H new ATOM 0 HB3 ALA A 45 2.512 -11.810 6.017 1.00 22.13 H new ATOM 737 N PRO A 46 -0.650 -12.977 7.632 1.00 70.25 N ATOM 738 CA PRO A 46 -1.201 -12.814 8.982 1.00 55.13 C ATOM 739 C PRO A 46 -0.161 -12.294 9.973 1.00 5.34 C ATOM 740 O PRO A 46 -0.501 -11.639 10.959 1.00 1.41 O ATOM 741 CB PRO A 46 -1.644 -14.229 9.361 1.00 54.32 C ATOM 742 CG PRO A 46 -1.855 -14.924 8.062 1.00 64.32 C ATOM 743 CD PRO A 46 -0.833 -14.348 7.125 1.00 51.22 C ATOM 0 HA PRO A 46 -2.008 -12.082 9.007 1.00 55.13 H new ATOM 0 HB2 PRO A 46 -0.886 -14.733 9.960 1.00 54.32 H new ATOM 0 HB3 PRO A 46 -2.559 -14.211 9.953 1.00 54.32 H new ATOM 0 HG2 PRO A 46 -1.726 -16.001 8.168 1.00 64.32 H new ATOM 0 HG3 PRO A 46 -2.866 -14.759 7.689 1.00 64.32 H new ATOM 0 HD2 PRO A 46 0.098 -14.914 7.147 1.00 51.22 H new ATOM 0 HD3 PRO A 46 -1.184 -14.353 6.093 1.00 51.22 H new ATOM 751 N LEU A 47 1.104 -12.597 9.704 1.00 34.51 N ATOM 752 CA LEU A 47 2.200 -12.102 10.524 1.00 32.22 C ATOM 753 C LEU A 47 2.607 -10.708 10.050 1.00 21.31 C ATOM 754 O LEU A 47 2.800 -9.799 10.853 1.00 62.22 O ATOM 755 CB LEU A 47 3.386 -13.081 10.456 1.00 71.34 C ATOM 756 CG LEU A 47 4.541 -12.821 11.436 1.00 53.04 C ATOM 757 CD1 LEU A 47 5.331 -14.100 11.660 1.00 53.42 C ATOM 758 CD2 LEU A 47 5.469 -11.731 10.917 1.00 3.14 C ATOM 0 H LEU A 47 1.395 -13.184 8.922 1.00 34.51 H new ATOM 0 HA LEU A 47 1.879 -12.030 11.563 1.00 32.22 H new ATOM 0 HB2 LEU A 47 3.009 -14.088 10.632 1.00 71.34 H new ATOM 0 HB3 LEU A 47 3.787 -13.063 9.442 1.00 71.34 H new ATOM 0 HG LEU A 47 4.112 -12.486 12.380 1.00 53.04 H new ATOM 0 HD11 LEU A 47 6.147 -13.906 12.356 1.00 53.42 H new ATOM 0 HD12 LEU A 47 4.675 -14.865 12.075 1.00 53.42 H new ATOM 0 HD13 LEU A 47 5.738 -14.447 10.710 1.00 53.42 H new ATOM 0 HD21 LEU A 47 6.276 -11.569 11.632 1.00 3.14 H new ATOM 0 HD22 LEU A 47 5.889 -12.036 9.959 1.00 3.14 H new ATOM 0 HD23 LEU A 47 4.907 -10.806 10.789 1.00 3.14 H new ATOM 770 N GLY A 48 2.716 -10.545 8.738 1.00 43.34 N ATOM 771 CA GLY A 48 3.101 -9.268 8.175 1.00 73.51 C ATOM 772 C GLY A 48 3.563 -9.394 6.741 1.00 50.34 C ATOM 773 O GLY A 48 2.770 -9.251 5.814 1.00 14.04 O ATOM 0 H GLY A 48 2.543 -11.279 8.051 1.00 43.34 H new ATOM 0 HA2 GLY A 48 2.256 -8.581 8.224 1.00 73.51 H new ATOM 0 HA3 GLY A 48 3.900 -8.834 8.776 1.00 73.51 H new ATOM 777 N ASP A 49 4.844 -9.678 6.562 1.00 60.12 N ATOM 778 CA ASP A 49 5.418 -9.829 5.229 1.00 72.33 C ATOM 779 C ASP A 49 5.201 -11.246 4.710 1.00 34.14 C ATOM 780 O ASP A 49 5.107 -12.192 5.494 1.00 64.54 O ATOM 781 CB ASP A 49 6.917 -9.503 5.247 1.00 63.21 C ATOM 782 CG ASP A 49 7.706 -10.392 6.190 1.00 74.15 C ATOM 783 OD1 ASP A 49 7.727 -10.099 7.404 1.00 40.01 O ATOM 784 OD2 ASP A 49 8.329 -11.368 5.719 1.00 64.21 O ATOM 0 H ASP A 49 5.509 -9.809 7.324 1.00 60.12 H new ATOM 0 HA ASP A 49 4.915 -9.129 4.562 1.00 72.33 H new ATOM 0 HB2 ASP A 49 7.318 -9.606 4.239 1.00 63.21 H new ATOM 0 HB3 ASP A 49 7.053 -8.462 5.539 1.00 63.21 H new ATOM 790 N PRO A 50 5.109 -11.413 3.383 1.00 45.21 N ATOM 791 CA PRO A 50 5.197 -10.314 2.428 1.00 3.10 C ATOM 792 C PRO A 50 3.842 -9.669 2.149 1.00 53.53 C ATOM 793 O PRO A 50 2.793 -10.214 2.504 1.00 45.51 O ATOM 794 CB PRO A 50 5.724 -11.007 1.178 1.00 13.24 C ATOM 795 CG PRO A 50 5.152 -12.385 1.238 1.00 71.20 C ATOM 796 CD PRO A 50 4.913 -12.704 2.698 1.00 14.34 C ATOM 0 HA PRO A 50 5.822 -9.498 2.790 1.00 3.10 H new ATOM 0 HB2 PRO A 50 5.408 -10.486 0.274 1.00 13.24 H new ATOM 0 HB3 PRO A 50 6.814 -11.031 1.168 1.00 13.24 H new ATOM 0 HG2 PRO A 50 4.221 -12.440 0.674 1.00 71.20 H new ATOM 0 HG3 PRO A 50 5.837 -13.106 0.793 1.00 71.20 H new ATOM 0 HD2 PRO A 50 3.908 -13.094 2.862 1.00 14.34 H new ATOM 0 HD3 PRO A 50 5.611 -13.458 3.061 1.00 14.34 H new ATOM 804 N ILE A 51 3.871 -8.504 1.523 1.00 60.01 N ATOM 805 CA ILE A 51 2.655 -7.801 1.159 1.00 50.04 C ATOM 806 C ILE A 51 2.574 -7.659 -0.356 1.00 30.13 C ATOM 807 O ILE A 51 3.260 -6.827 -0.957 1.00 13.33 O ATOM 808 CB ILE A 51 2.553 -6.398 1.819 1.00 44.12 C ATOM 809 CG1 ILE A 51 2.529 -6.497 3.350 1.00 70.33 C ATOM 810 CG2 ILE A 51 1.309 -5.667 1.332 1.00 13.12 C ATOM 811 CD1 ILE A 51 3.894 -6.677 3.980 1.00 60.30 C ATOM 0 H ILE A 51 4.730 -8.024 1.256 1.00 60.01 H new ATOM 0 HA ILE A 51 1.820 -8.395 1.529 1.00 50.04 H new ATOM 0 HB ILE A 51 3.439 -5.835 1.526 1.00 44.12 H new ATOM 0 HG12 ILE A 51 2.070 -5.595 3.754 1.00 70.33 H new ATOM 0 HG13 ILE A 51 1.894 -7.334 3.639 1.00 70.33 H new ATOM 0 HG21 ILE A 51 1.255 -4.687 1.805 1.00 13.12 H new ATOM 0 HG22 ILE A 51 1.359 -5.546 0.250 1.00 13.12 H new ATOM 0 HG23 ILE A 51 0.422 -6.245 1.592 1.00 13.12 H new ATOM 0 HD11 ILE A 51 3.790 -6.738 5.063 1.00 60.30 H new ATOM 0 HD12 ILE A 51 4.349 -7.595 3.607 1.00 60.30 H new ATOM 0 HD13 ILE A 51 4.528 -5.828 3.724 1.00 60.30 H new ATOM 823 N GLN A 52 1.754 -8.496 -0.971 1.00 4.01 N ATOM 824 CA GLN A 52 1.548 -8.446 -2.407 1.00 3.41 C ATOM 825 C GLN A 52 0.411 -7.493 -2.733 1.00 40.10 C ATOM 826 O GLN A 52 -0.689 -7.612 -2.190 1.00 71.40 O ATOM 827 CB GLN A 52 1.245 -9.835 -2.967 1.00 32.42 C ATOM 828 CG GLN A 52 2.405 -10.806 -2.843 1.00 64.25 C ATOM 829 CD GLN A 52 2.106 -12.142 -3.490 1.00 53.35 C ATOM 830 OE1 GLN A 52 0.959 -12.577 -3.542 1.00 42.32 O ATOM 831 NE2 GLN A 52 3.137 -12.799 -3.994 1.00 40.21 N ATOM 0 H GLN A 52 1.218 -9.221 -0.494 1.00 4.01 H new ATOM 0 HA GLN A 52 2.466 -8.086 -2.872 1.00 3.41 H new ATOM 0 HB2 GLN A 52 0.380 -10.247 -2.447 1.00 32.42 H new ATOM 0 HB3 GLN A 52 0.970 -9.742 -4.018 1.00 32.42 H new ATOM 0 HG2 GLN A 52 3.291 -10.371 -3.305 1.00 64.25 H new ATOM 0 HG3 GLN A 52 2.637 -10.959 -1.789 1.00 64.25 H new ATOM 0 HE21 GLN A 52 4.075 -12.403 -3.930 1.00 40.21 H new ATOM 0 HE22 GLN A 52 2.994 -13.702 -4.447 1.00 40.21 H new ATOM 840 N ILE A 53 0.681 -6.553 -3.614 1.00 5.52 N ATOM 841 CA ILE A 53 -0.281 -5.522 -3.958 1.00 51.53 C ATOM 842 C ILE A 53 -0.325 -5.313 -5.463 1.00 64.23 C ATOM 843 O ILE A 53 0.662 -5.548 -6.155 1.00 64.33 O ATOM 844 CB ILE A 53 0.070 -4.184 -3.274 1.00 21.53 C ATOM 845 CG1 ILE A 53 1.524 -3.800 -3.580 1.00 44.45 C ATOM 846 CG2 ILE A 53 -0.168 -4.269 -1.770 1.00 32.23 C ATOM 847 CD1 ILE A 53 1.949 -2.475 -2.983 1.00 62.13 C ATOM 0 H ILE A 53 1.569 -6.480 -4.111 1.00 5.52 H new ATOM 0 HA ILE A 53 -1.257 -5.856 -3.607 1.00 51.53 H new ATOM 0 HB ILE A 53 -0.582 -3.406 -3.671 1.00 21.53 H new ATOM 0 HG12 ILE A 53 2.183 -4.584 -3.205 1.00 44.45 H new ATOM 0 HG13 ILE A 53 1.659 -3.760 -4.661 1.00 44.45 H new ATOM 0 HG21 ILE A 53 0.086 -3.315 -1.307 1.00 32.23 H new ATOM 0 HG22 ILE A 53 -1.217 -4.497 -1.580 1.00 32.23 H new ATOM 0 HG23 ILE A 53 0.457 -5.055 -1.347 1.00 32.23 H new ATOM 0 HD11 ILE A 53 2.988 -2.275 -3.244 1.00 62.13 H new ATOM 0 HD12 ILE A 53 1.317 -1.679 -3.376 1.00 62.13 H new ATOM 0 HD13 ILE A 53 1.849 -2.516 -1.898 1.00 62.13 H new ATOM 859 N ASN A 54 -1.466 -4.889 -5.971 1.00 12.21 N ATOM 860 CA ASN A 54 -1.587 -4.574 -7.383 1.00 14.40 C ATOM 861 C ASN A 54 -1.756 -3.074 -7.552 1.00 22.13 C ATOM 862 O ASN A 54 -2.776 -2.501 -7.163 1.00 62.41 O ATOM 863 CB ASN A 54 -2.763 -5.320 -8.017 1.00 24.43 C ATOM 864 CG ASN A 54 -2.767 -5.200 -9.530 1.00 44.12 C ATOM 865 OD1 ASN A 54 -3.347 -4.271 -10.090 1.00 64.51 O ATOM 866 ND2 ASN A 54 -2.122 -6.144 -10.202 1.00 52.13 N ATOM 0 H ASN A 54 -2.320 -4.755 -5.430 1.00 12.21 H new ATOM 0 HA ASN A 54 -0.679 -4.897 -7.893 1.00 14.40 H new ATOM 0 HB2 ASN A 54 -2.717 -6.373 -7.737 1.00 24.43 H new ATOM 0 HB3 ASN A 54 -3.698 -4.925 -7.620 1.00 24.43 H new ATOM 0 HD21 ASN A 54 -2.094 -6.116 -11.221 1.00 52.13 H new ATOM 0 HD22 ASN A 54 -1.653 -6.898 -9.700 1.00 52.13 H new ATOM 873 N VAL A 55 -0.737 -2.437 -8.104 1.00 24.14 N ATOM 874 CA VAL A 55 -0.740 -0.995 -8.270 1.00 3.44 C ATOM 875 C VAL A 55 -0.759 -0.633 -9.745 1.00 0.32 C ATOM 876 O VAL A 55 0.148 -1.007 -10.495 1.00 20.03 O ATOM 877 CB VAL A 55 0.488 -0.347 -7.601 1.00 22.33 C ATOM 878 CG1 VAL A 55 0.400 1.171 -7.671 1.00 34.02 C ATOM 879 CG2 VAL A 55 0.623 -0.811 -6.160 1.00 44.34 C ATOM 0 H VAL A 55 0.106 -2.899 -8.446 1.00 24.14 H new ATOM 0 HA VAL A 55 -1.639 -0.612 -7.787 1.00 3.44 H new ATOM 0 HB VAL A 55 1.378 -0.663 -8.145 1.00 22.33 H new ATOM 0 HG11 VAL A 55 1.276 1.609 -7.193 1.00 34.02 H new ATOM 0 HG12 VAL A 55 0.360 1.485 -8.714 1.00 34.02 H new ATOM 0 HG13 VAL A 55 -0.500 1.507 -7.156 1.00 34.02 H new ATOM 0 HG21 VAL A 55 1.496 -0.341 -5.707 1.00 44.34 H new ATOM 0 HG22 VAL A 55 -0.270 -0.530 -5.602 1.00 44.34 H new ATOM 0 HG23 VAL A 55 0.740 -1.894 -6.136 1.00 44.34 H new ATOM 889 N ARG A 56 -1.822 0.064 -10.156 1.00 22.34 N ATOM 890 CA ARG A 56 -1.992 0.527 -11.538 1.00 65.22 C ATOM 891 C ARG A 56 -2.246 -0.631 -12.507 1.00 15.53 C ATOM 892 O ARG A 56 -2.553 -0.413 -13.679 1.00 15.44 O ATOM 893 CB ARG A 56 -0.773 1.324 -12.011 1.00 34.03 C ATOM 894 CG ARG A 56 -0.446 2.542 -11.159 1.00 51.40 C ATOM 895 CD ARG A 56 0.527 3.457 -11.879 1.00 74.24 C ATOM 896 NE ARG A 56 -0.005 3.878 -13.174 1.00 31.11 N ATOM 897 CZ ARG A 56 0.629 3.716 -14.331 1.00 74.12 C ATOM 898 NH1 ARG A 56 1.834 3.161 -14.362 1.00 14.44 N ATOM 899 NH2 ARG A 56 0.049 4.108 -15.456 1.00 52.02 N ATOM 0 H ARG A 56 -2.591 0.324 -9.539 1.00 22.34 H new ATOM 0 HA ARG A 56 -2.869 1.175 -11.538 1.00 65.22 H new ATOM 0 HB2 ARG A 56 0.094 0.663 -12.026 1.00 34.03 H new ATOM 0 HB3 ARG A 56 -0.943 1.649 -13.037 1.00 34.03 H new ATOM 0 HG2 ARG A 56 -1.362 3.087 -10.928 1.00 51.40 H new ATOM 0 HG3 ARG A 56 -0.017 2.223 -10.209 1.00 51.40 H new ATOM 0 HD2 ARG A 56 0.730 4.333 -11.264 1.00 74.24 H new ATOM 0 HD3 ARG A 56 1.477 2.942 -12.023 1.00 74.24 H new ATOM 0 HE ARG A 56 -0.922 4.325 -13.191 1.00 31.11 H new ATOM 0 HH11 ARG A 56 2.278 2.857 -13.495 1.00 14.44 H new ATOM 0 HH12 ARG A 56 2.316 3.039 -15.252 1.00 14.44 H new ATOM 0 HH21 ARG A 56 -0.879 4.531 -15.431 1.00 52.02 H new ATOM 0 HH22 ARG A 56 0.530 3.987 -16.347 1.00 52.02 H new ATOM 913 N GLY A 57 -2.121 -1.853 -12.016 1.00 52.04 N ATOM 914 CA GLY A 57 -2.260 -3.021 -12.864 1.00 14.41 C ATOM 915 C GLY A 57 -1.078 -3.955 -12.723 1.00 33.32 C ATOM 916 O GLY A 57 -1.159 -5.137 -13.067 1.00 63.25 O ATOM 0 H GLY A 57 -1.924 -2.060 -11.037 1.00 52.04 H new ATOM 0 HA2 GLY A 57 -3.177 -3.552 -12.606 1.00 14.41 H new ATOM 0 HA3 GLY A 57 -2.355 -2.707 -13.904 1.00 14.41 H new ATOM 920 N TYR A 58 0.025 -3.423 -12.214 1.00 74.33 N ATOM 921 CA TYR A 58 1.224 -4.214 -11.989 1.00 0.00 C ATOM 922 C TYR A 58 1.222 -4.808 -10.590 1.00 42.55 C ATOM 923 O TYR A 58 0.946 -4.119 -9.606 1.00 45.52 O ATOM 924 CB TYR A 58 2.487 -3.372 -12.202 1.00 44.31 C ATOM 925 CG TYR A 58 2.762 -3.056 -13.653 1.00 54.31 C ATOM 926 CD1 TYR A 58 3.198 -4.047 -14.521 1.00 52.12 C ATOM 927 CD2 TYR A 58 2.582 -1.773 -14.157 1.00 2.14 C ATOM 928 CE1 TYR A 58 3.450 -3.770 -15.849 1.00 21.14 C ATOM 929 CE2 TYR A 58 2.830 -1.490 -15.486 1.00 44.30 C ATOM 930 CZ TYR A 58 3.263 -2.492 -16.328 1.00 52.31 C ATOM 931 OH TYR A 58 3.502 -2.219 -17.656 1.00 50.12 O ATOM 0 H TYR A 58 0.113 -2.442 -11.948 1.00 74.33 H new ATOM 0 HA TYR A 58 1.226 -5.027 -12.715 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.390 -2.439 -11.647 1.00 44.31 H new ATOM 0 HB3 TYR A 58 3.343 -3.903 -11.785 1.00 44.31 H new ATOM 0 HD1 TYR A 58 3.342 -5.051 -14.151 1.00 52.12 H new ATOM 0 HD2 TYR A 58 2.243 -0.986 -13.500 1.00 2.14 H new ATOM 0 HE1 TYR A 58 3.793 -4.552 -16.510 1.00 21.14 H new ATOM 0 HE2 TYR A 58 2.685 -0.489 -15.864 1.00 44.30 H new ATOM 0 HH TYR A 58 3.322 -1.272 -17.833 1.00 50.12 H new ATOM 941 N GLU A 59 1.521 -6.092 -10.511 1.00 63.20 N ATOM 942 CA GLU A 59 1.521 -6.798 -9.244 1.00 1.40 C ATOM 943 C GLU A 59 2.900 -6.732 -8.605 1.00 15.04 C ATOM 944 O GLU A 59 3.900 -7.126 -9.207 1.00 11.13 O ATOM 945 CB GLU A 59 1.095 -8.245 -9.467 1.00 35.53 C ATOM 946 CG GLU A 59 0.788 -9.020 -8.197 1.00 73.32 C ATOM 947 CD GLU A 59 0.256 -10.408 -8.493 1.00 12.23 C ATOM 948 OE1 GLU A 59 -0.866 -10.512 -9.021 1.00 52.34 O ATOM 949 OE2 GLU A 59 0.961 -11.400 -8.213 1.00 62.52 O ATOM 0 H GLU A 59 1.768 -6.669 -11.315 1.00 63.20 H new ATOM 0 HA GLU A 59 0.812 -6.324 -8.566 1.00 1.40 H new ATOM 0 HB2 GLU A 59 0.211 -8.255 -10.105 1.00 35.53 H new ATOM 0 HB3 GLU A 59 1.886 -8.763 -10.010 1.00 35.53 H new ATOM 0 HG2 GLU A 59 1.692 -9.099 -7.593 1.00 73.32 H new ATOM 0 HG3 GLU A 59 0.057 -8.470 -7.605 1.00 73.32 H new ATOM 957 N LEU A 60 2.938 -6.231 -7.387 1.00 32.52 N ATOM 958 CA LEU A 60 4.190 -6.001 -6.679 1.00 71.34 C ATOM 959 C LEU A 60 4.195 -6.738 -5.348 1.00 13.44 C ATOM 960 O LEU A 60 3.138 -7.051 -4.802 1.00 51.14 O ATOM 961 CB LEU A 60 4.391 -4.501 -6.433 1.00 45.35 C ATOM 962 CG LEU A 60 4.348 -3.617 -7.683 1.00 13.12 C ATOM 963 CD1 LEU A 60 4.438 -2.152 -7.296 1.00 60.23 C ATOM 964 CD2 LEU A 60 5.472 -3.982 -8.641 1.00 63.34 C ATOM 0 H LEU A 60 2.106 -5.971 -6.857 1.00 32.52 H new ATOM 0 HA LEU A 60 5.005 -6.379 -7.296 1.00 71.34 H new ATOM 0 HB2 LEU A 60 3.623 -4.158 -5.740 1.00 45.35 H new ATOM 0 HB3 LEU A 60 5.352 -4.357 -5.940 1.00 45.35 H new ATOM 0 HG LEU A 60 3.398 -3.787 -8.190 1.00 13.12 H new ATOM 0 HD11 LEU A 60 4.406 -1.536 -8.194 1.00 60.23 H new ATOM 0 HD12 LEU A 60 3.599 -1.894 -6.649 1.00 60.23 H new ATOM 0 HD13 LEU A 60 5.373 -1.973 -6.766 1.00 60.23 H new ATOM 0 HD21 LEU A 60 5.422 -3.342 -9.522 1.00 63.34 H new ATOM 0 HD22 LEU A 60 6.433 -3.843 -8.145 1.00 63.34 H new ATOM 0 HD23 LEU A 60 5.368 -5.024 -8.944 1.00 63.34 H new ATOM 976 N SER A 61 5.384 -7.012 -4.833 1.00 44.41 N ATOM 977 CA SER A 61 5.528 -7.662 -3.541 1.00 41.04 C ATOM 978 C SER A 61 6.465 -6.845 -2.656 1.00 10.31 C ATOM 979 O SER A 61 7.666 -6.756 -2.922 1.00 43.43 O ATOM 980 CB SER A 61 6.060 -9.088 -3.718 1.00 23.40 C ATOM 981 OG SER A 61 6.049 -9.801 -2.492 1.00 72.43 O ATOM 0 H SER A 61 6.267 -6.793 -5.294 1.00 44.41 H new ATOM 0 HA SER A 61 4.552 -7.721 -3.060 1.00 41.04 H new ATOM 0 HB2 SER A 61 5.452 -9.616 -4.453 1.00 23.40 H new ATOM 0 HB3 SER A 61 7.076 -9.053 -4.111 1.00 23.40 H new ATOM 0 HG SER A 61 6.392 -10.707 -2.638 1.00 72.43 H new ATOM 987 N LEU A 62 5.916 -6.233 -1.619 1.00 64.21 N ATOM 988 CA LEU A 62 6.713 -5.425 -0.707 1.00 0.41 C ATOM 989 C LEU A 62 6.910 -6.143 0.618 1.00 74.33 C ATOM 990 O LEU A 62 6.161 -7.060 0.962 1.00 51.24 O ATOM 991 CB LEU A 62 6.063 -4.057 -0.470 1.00 4.22 C ATOM 992 CG LEU A 62 6.149 -3.079 -1.648 1.00 3.34 C ATOM 993 CD1 LEU A 62 5.543 -1.731 -1.275 1.00 74.24 C ATOM 994 CD2 LEU A 62 7.595 -2.903 -2.087 1.00 3.44 C ATOM 0 H LEU A 62 4.924 -6.279 -1.387 1.00 64.21 H new ATOM 0 HA LEU A 62 7.687 -5.269 -1.170 1.00 0.41 H new ATOM 0 HB2 LEU A 62 5.013 -4.210 -0.222 1.00 4.22 H new ATOM 0 HB3 LEU A 62 6.532 -3.596 0.399 1.00 4.22 H new ATOM 0 HG LEU A 62 5.579 -3.495 -2.479 1.00 3.34 H new ATOM 0 HD11 LEU A 62 5.614 -1.052 -2.125 1.00 74.24 H new ATOM 0 HD12 LEU A 62 4.496 -1.865 -1.005 1.00 74.24 H new ATOM 0 HD13 LEU A 62 6.085 -1.310 -0.428 1.00 74.24 H new ATOM 0 HD21 LEU A 62 7.639 -2.206 -2.924 1.00 3.44 H new ATOM 0 HD22 LEU A 62 8.182 -2.511 -1.257 1.00 3.44 H new ATOM 0 HD23 LEU A 62 8.001 -3.866 -2.395 1.00 3.44 H new ATOM 1006 N ARG A 63 7.930 -5.736 1.353 1.00 33.22 N ATOM 1007 CA ARG A 63 8.216 -6.331 2.642 1.00 32.20 C ATOM 1008 C ARG A 63 7.475 -5.590 3.744 1.00 31.12 C ATOM 1009 O ARG A 63 6.929 -4.507 3.519 1.00 54.04 O ATOM 1010 CB ARG A 63 9.716 -6.311 2.907 1.00 25.42 C ATOM 1011 CG ARG A 63 10.275 -7.656 3.336 1.00 71.34 C ATOM 1012 CD ARG A 63 9.919 -8.758 2.344 1.00 63.43 C ATOM 1013 NE ARG A 63 10.219 -8.379 0.964 1.00 25.02 N ATOM 1014 CZ ARG A 63 10.964 -9.110 0.133 1.00 4.02 C ATOM 1015 NH1 ARG A 63 11.503 -10.250 0.549 1.00 42.20 N ATOM 1016 NH2 ARG A 63 11.162 -8.702 -1.115 1.00 11.13 N ATOM 0 H ARG A 63 8.574 -4.995 1.077 1.00 33.22 H new ATOM 0 HA ARG A 63 7.875 -7.366 2.632 1.00 32.20 H new ATOM 0 HB2 ARG A 63 10.232 -5.984 2.004 1.00 25.42 H new ATOM 0 HB3 ARG A 63 9.930 -5.574 3.681 1.00 25.42 H new ATOM 0 HG2 ARG A 63 11.359 -7.587 3.429 1.00 71.34 H new ATOM 0 HG3 ARG A 63 9.886 -7.914 4.321 1.00 71.34 H new ATOM 0 HD2 ARG A 63 10.469 -9.664 2.598 1.00 63.43 H new ATOM 0 HD3 ARG A 63 8.858 -8.994 2.431 1.00 63.43 H new ATOM 0 HE ARG A 63 9.835 -7.501 0.615 1.00 25.02 H new ATOM 0 HH11 ARG A 63 11.348 -10.568 1.506 1.00 42.20 H new ATOM 0 HH12 ARG A 63 12.072 -10.807 -0.088 1.00 42.20 H new ATOM 0 HH21 ARG A 63 10.744 -7.829 -1.439 1.00 11.13 H new ATOM 0 HH22 ARG A 63 11.732 -9.261 -1.750 1.00 11.13 H new ATOM 1030 N LYS A 64 7.473 -6.173 4.936 1.00 10.33 N ATOM 1031 CA LYS A 64 6.736 -5.621 6.065 1.00 54.11 C ATOM 1032 C LYS A 64 7.212 -4.208 6.383 1.00 12.11 C ATOM 1033 O LYS A 64 6.403 -3.320 6.627 1.00 55.11 O ATOM 1034 CB LYS A 64 6.892 -6.539 7.286 1.00 1.51 C ATOM 1035 CG LYS A 64 5.862 -6.310 8.385 1.00 21.41 C ATOM 1036 CD LYS A 64 6.212 -5.128 9.279 1.00 61.45 C ATOM 1037 CE LYS A 64 7.464 -5.391 10.100 1.00 54.13 C ATOM 1038 NZ LYS A 64 7.749 -4.288 11.054 1.00 1.32 N ATOM 0 H LYS A 64 7.977 -7.034 5.146 1.00 10.33 H new ATOM 0 HA LYS A 64 5.680 -5.564 5.802 1.00 54.11 H new ATOM 0 HB2 LYS A 64 6.828 -7.576 6.956 1.00 1.51 H new ATOM 0 HB3 LYS A 64 7.889 -6.399 7.705 1.00 1.51 H new ATOM 0 HG2 LYS A 64 4.885 -6.142 7.932 1.00 21.41 H new ATOM 0 HG3 LYS A 64 5.780 -7.210 8.994 1.00 21.41 H new ATOM 0 HD2 LYS A 64 6.360 -4.240 8.665 1.00 61.45 H new ATOM 0 HD3 LYS A 64 5.377 -4.918 9.947 1.00 61.45 H new ATOM 0 HE2 LYS A 64 7.347 -6.324 10.650 1.00 54.13 H new ATOM 0 HE3 LYS A 64 8.315 -5.520 9.431 1.00 54.13 H new ATOM 0 HZ1 LYS A 64 8.777 -4.142 11.119 1.00 1.32 H new ATOM 0 HZ2 LYS A 64 7.295 -3.414 10.720 1.00 1.32 H new ATOM 0 HZ3 LYS A 64 7.375 -4.535 11.992 1.00 1.32 H new ATOM 1052 N SER A 65 8.523 -4.010 6.346 1.00 52.34 N ATOM 1053 CA SER A 65 9.125 -2.727 6.684 1.00 54.55 C ATOM 1054 C SER A 65 8.571 -1.593 5.818 1.00 34.03 C ATOM 1055 O SER A 65 8.216 -0.531 6.331 1.00 55.23 O ATOM 1056 CB SER A 65 10.642 -2.821 6.526 1.00 74.24 C ATOM 1057 OG SER A 65 11.140 -3.972 7.185 1.00 53.13 O ATOM 0 H SER A 65 9.196 -4.730 6.082 1.00 52.34 H new ATOM 0 HA SER A 65 8.875 -2.496 7.719 1.00 54.55 H new ATOM 0 HB2 SER A 65 10.901 -2.860 5.468 1.00 74.24 H new ATOM 0 HB3 SER A 65 11.112 -1.928 6.937 1.00 74.24 H new ATOM 0 HG SER A 65 12.112 -4.018 7.073 1.00 53.13 H new ATOM 1063 N ALA A 66 8.479 -1.825 4.510 1.00 55.50 N ATOM 1064 CA ALA A 66 7.992 -0.802 3.591 1.00 60.00 C ATOM 1065 C ALA A 66 6.490 -0.598 3.746 1.00 31.01 C ATOM 1066 O ALA A 66 6.009 0.528 3.823 1.00 1.22 O ATOM 1067 CB ALA A 66 8.339 -1.160 2.149 1.00 1.34 C ATOM 0 H ALA A 66 8.734 -2.707 4.066 1.00 55.50 H new ATOM 0 HA ALA A 66 8.488 0.136 3.841 1.00 60.00 H new ATOM 0 HB1 ALA A 66 7.966 -0.383 1.481 1.00 1.34 H new ATOM 0 HB2 ALA A 66 9.421 -1.240 2.044 1.00 1.34 H new ATOM 0 HB3 ALA A 66 7.878 -2.113 1.890 1.00 1.34 H new ATOM 1073 N ALA A 67 5.753 -1.698 3.824 1.00 23.24 N ATOM 1074 CA ALA A 67 4.301 -1.638 3.946 1.00 60.43 C ATOM 1075 C ALA A 67 3.880 -0.965 5.247 1.00 75.31 C ATOM 1076 O ALA A 67 2.865 -0.271 5.309 1.00 71.31 O ATOM 1077 CB ALA A 67 3.712 -3.034 3.885 1.00 22.14 C ATOM 0 H ALA A 67 6.136 -2.643 3.805 1.00 23.24 H new ATOM 0 HA ALA A 67 3.923 -1.045 3.113 1.00 60.43 H new ATOM 0 HB1 ALA A 67 2.627 -2.976 3.977 1.00 22.14 H new ATOM 0 HB2 ALA A 67 3.971 -3.497 2.933 1.00 22.14 H new ATOM 0 HB3 ALA A 67 4.114 -3.634 4.701 1.00 22.14 H new ATOM 1083 N GLU A 68 4.669 -1.171 6.283 1.00 72.13 N ATOM 1084 CA GLU A 68 4.323 -0.699 7.608 1.00 13.12 C ATOM 1085 C GLU A 68 4.742 0.759 7.808 1.00 55.14 C ATOM 1086 O GLU A 68 4.321 1.410 8.765 1.00 44.41 O ATOM 1087 CB GLU A 68 4.979 -1.591 8.655 1.00 32.25 C ATOM 1088 CG GLU A 68 4.402 -1.422 10.041 1.00 32.34 C ATOM 1089 CD GLU A 68 5.128 -2.254 11.070 1.00 11.30 C ATOM 1090 OE1 GLU A 68 4.567 -3.274 11.526 1.00 60.20 O ATOM 1091 OE2 GLU A 68 6.274 -1.908 11.411 1.00 3.53 O ATOM 0 H GLU A 68 5.560 -1.666 6.231 1.00 72.13 H new ATOM 0 HA GLU A 68 3.240 -0.747 7.719 1.00 13.12 H new ATOM 0 HB2 GLU A 68 4.873 -2.632 8.351 1.00 32.25 H new ATOM 0 HB3 GLU A 68 6.047 -1.375 8.686 1.00 32.25 H new ATOM 0 HG2 GLU A 68 4.451 -0.371 10.327 1.00 32.34 H new ATOM 0 HG3 GLU A 68 3.348 -1.701 10.030 1.00 32.34 H new ATOM 1099 N MET A 69 5.569 1.273 6.907 1.00 0.33 N ATOM 1100 CA MET A 69 6.016 2.658 7.005 1.00 42.34 C ATOM 1101 C MET A 69 5.172 3.551 6.110 1.00 72.43 C ATOM 1102 O MET A 69 5.362 4.764 6.065 1.00 32.24 O ATOM 1103 CB MET A 69 7.503 2.794 6.642 1.00 62.42 C ATOM 1104 CG MET A 69 7.812 2.575 5.170 1.00 24.01 C ATOM 1105 SD MET A 69 9.583 2.548 4.830 1.00 50.41 S ATOM 1106 CE MET A 69 10.074 4.150 5.459 1.00 51.01 C ATOM 0 H MET A 69 5.941 0.759 6.108 1.00 0.33 H new ATOM 0 HA MET A 69 5.893 2.975 8.040 1.00 42.34 H new ATOM 0 HB2 MET A 69 7.845 3.788 6.929 1.00 62.42 H new ATOM 0 HB3 MET A 69 8.075 2.078 7.231 1.00 62.42 H new ATOM 0 HG2 MET A 69 7.369 1.633 4.846 1.00 24.01 H new ATOM 0 HG3 MET A 69 7.345 3.366 4.583 1.00 24.01 H new ATOM 0 HE1 MET A 69 10.653 4.677 4.701 1.00 51.01 H new ATOM 0 HE2 MET A 69 9.186 4.732 5.706 1.00 51.01 H new ATOM 0 HE3 MET A 69 10.682 4.019 6.354 1.00 51.01 H new ATOM 1116 N ILE A 70 4.229 2.953 5.405 1.00 31.41 N ATOM 1117 CA ILE A 70 3.367 3.707 4.516 1.00 12.44 C ATOM 1118 C ILE A 70 1.978 3.847 5.115 1.00 13.25 C ATOM 1119 O ILE A 70 1.357 2.859 5.511 1.00 33.14 O ATOM 1120 CB ILE A 70 3.272 3.059 3.114 1.00 53.24 C ATOM 1121 CG1 ILE A 70 4.657 2.985 2.467 1.00 72.22 C ATOM 1122 CG2 ILE A 70 2.312 3.833 2.221 1.00 12.42 C ATOM 1123 CD1 ILE A 70 5.386 4.313 2.424 1.00 43.14 C ATOM 0 H ILE A 70 4.042 1.951 5.431 1.00 31.41 H new ATOM 0 HA ILE A 70 3.812 4.695 4.398 1.00 12.44 H new ATOM 0 HB ILE A 70 2.885 2.047 3.233 1.00 53.24 H new ATOM 0 HG12 ILE A 70 5.265 2.265 3.015 1.00 72.22 H new ATOM 0 HG13 ILE A 70 4.553 2.606 1.450 1.00 72.22 H new ATOM 0 HG21 ILE A 70 2.263 3.358 1.241 1.00 12.42 H new ATOM 0 HG22 ILE A 70 1.320 3.838 2.672 1.00 12.42 H new ATOM 0 HG23 ILE A 70 2.665 4.858 2.109 1.00 12.42 H new ATOM 0 HD11 ILE A 70 6.359 4.179 1.952 1.00 43.14 H new ATOM 0 HD12 ILE A 70 4.800 5.031 1.850 1.00 43.14 H new ATOM 0 HD13 ILE A 70 5.524 4.685 3.439 1.00 43.14 H new ATOM 1135 N GLU A 71 1.511 5.082 5.197 1.00 24.44 N ATOM 1136 CA GLU A 71 0.183 5.364 5.700 1.00 10.53 C ATOM 1137 C GLU A 71 -0.775 5.529 4.534 1.00 72.14 C ATOM 1138 O GLU A 71 -0.526 6.316 3.613 1.00 71.41 O ATOM 1139 CB GLU A 71 0.211 6.596 6.617 1.00 62.12 C ATOM 1140 CG GLU A 71 -1.150 7.205 6.917 1.00 44.21 C ATOM 1141 CD GLU A 71 -1.099 8.717 6.976 1.00 62.44 C ATOM 1142 OE1 GLU A 71 -1.263 9.375 5.934 1.00 31.44 O ATOM 1143 OE2 GLU A 71 -0.874 9.254 8.080 1.00 34.25 O ATOM 0 H GLU A 71 2.039 5.909 4.918 1.00 24.44 H new ATOM 0 HA GLU A 71 -0.172 4.529 6.305 1.00 10.53 H new ATOM 0 HB2 GLU A 71 0.684 6.318 7.559 1.00 62.12 H new ATOM 0 HB3 GLU A 71 0.840 7.358 6.157 1.00 62.12 H new ATOM 0 HG2 GLU A 71 -1.861 6.897 6.151 1.00 44.21 H new ATOM 0 HG3 GLU A 71 -1.518 6.818 7.867 1.00 44.21 H new ATOM 1151 N VAL A 72 -1.847 4.753 4.559 1.00 52.01 N ATOM 1152 CA VAL A 72 -2.803 4.728 3.468 1.00 3.25 C ATOM 1153 C VAL A 72 -4.223 4.966 3.967 1.00 33.54 C ATOM 1154 O VAL A 72 -4.520 4.814 5.149 1.00 32.44 O ATOM 1155 CB VAL A 72 -2.759 3.392 2.692 1.00 3.03 C ATOM 1156 CG1 VAL A 72 -1.433 3.231 1.963 1.00 0.13 C ATOM 1157 CG2 VAL A 72 -3.002 2.216 3.627 1.00 62.51 C ATOM 0 H VAL A 72 -2.076 4.127 5.331 1.00 52.01 H new ATOM 0 HA VAL A 72 -2.517 5.535 2.793 1.00 3.25 H new ATOM 0 HB VAL A 72 -3.556 3.408 1.949 1.00 3.03 H new ATOM 0 HG11 VAL A 72 -1.427 2.283 1.425 1.00 0.13 H new ATOM 0 HG12 VAL A 72 -1.304 4.051 1.256 1.00 0.13 H new ATOM 0 HG13 VAL A 72 -0.617 3.243 2.685 1.00 0.13 H new ATOM 0 HG21 VAL A 72 -2.967 1.286 3.059 1.00 62.51 H new ATOM 0 HG22 VAL A 72 -2.232 2.200 4.399 1.00 62.51 H new ATOM 0 HG23 VAL A 72 -3.982 2.319 4.094 1.00 62.51 H new ATOM 1167 N GLU A 73 -5.078 5.359 3.046 1.00 60.13 N ATOM 1168 CA GLU A 73 -6.480 5.599 3.325 1.00 11.35 C ATOM 1169 C GLU A 73 -7.313 4.457 2.784 1.00 3.31 C ATOM 1170 O GLU A 73 -7.244 4.138 1.604 1.00 12.13 O ATOM 1171 CB GLU A 73 -6.925 6.899 2.665 1.00 74.22 C ATOM 1172 CG GLU A 73 -8.415 7.179 2.777 1.00 14.15 C ATOM 1173 CD GLU A 73 -8.872 8.233 1.793 1.00 44.41 C ATOM 1174 OE1 GLU A 73 -9.658 7.908 0.883 1.00 61.34 O ATOM 1175 OE2 GLU A 73 -8.443 9.395 1.916 1.00 5.23 O ATOM 0 H GLU A 73 -4.818 5.523 2.073 1.00 60.13 H new ATOM 0 HA GLU A 73 -6.617 5.673 4.404 1.00 11.35 H new ATOM 0 HB2 GLU A 73 -6.377 7.727 3.114 1.00 74.22 H new ATOM 0 HB3 GLU A 73 -6.651 6.870 1.610 1.00 74.22 H new ATOM 0 HG2 GLU A 73 -8.971 6.257 2.604 1.00 14.15 H new ATOM 0 HG3 GLU A 73 -8.647 7.505 3.791 1.00 14.15 H new ATOM 1183 N LEU A 74 -8.102 3.853 3.637 1.00 34.53 N ATOM 1184 CA LEU A 74 -8.966 2.770 3.211 1.00 40.45 C ATOM 1185 C LEU A 74 -10.371 3.300 2.970 1.00 1.01 C ATOM 1186 O LEU A 74 -10.835 4.183 3.693 1.00 65.21 O ATOM 1187 CB LEU A 74 -8.962 1.642 4.250 1.00 40.11 C ATOM 1188 CG LEU A 74 -9.788 0.401 3.894 1.00 10.12 C ATOM 1189 CD1 LEU A 74 -9.532 -0.036 2.460 1.00 64.34 C ATOM 1190 CD2 LEU A 74 -9.450 -0.735 4.839 1.00 44.12 C ATOM 0 H LEU A 74 -8.167 4.088 4.627 1.00 34.53 H new ATOM 0 HA LEU A 74 -8.592 2.355 2.275 1.00 40.45 H new ATOM 0 HB2 LEU A 74 -7.930 1.332 4.418 1.00 40.11 H new ATOM 0 HB3 LEU A 74 -9.332 2.042 5.194 1.00 40.11 H new ATOM 0 HG LEU A 74 -10.843 0.658 3.993 1.00 10.12 H new ATOM 0 HD11 LEU A 74 -10.131 -0.918 2.236 1.00 64.34 H new ATOM 0 HD12 LEU A 74 -9.805 0.771 1.780 1.00 64.34 H new ATOM 0 HD13 LEU A 74 -8.476 -0.274 2.335 1.00 64.34 H new ATOM 0 HD21 LEU A 74 -10.041 -1.613 4.579 1.00 44.12 H new ATOM 0 HD22 LEU A 74 -8.390 -0.974 4.756 1.00 44.12 H new ATOM 0 HD23 LEU A 74 -9.675 -0.436 5.863 1.00 44.12 H new