USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 416 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 8 HIS : no HD1:sc= -2.6 K(o=-2.2,f=-4.6!) USER MOD Set 1.2: A 9 LYS NZ :NH3+ 178:sc= 0.365 (180deg=-0.0076) USER MOD Single : A 0 SER OG : rot 38:sc= 0.0625 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc=-0.00357 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.014) USER MOD Single : A 19 CYS SG : rot 74:sc= 0.0726 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 0.36 (180deg=0.149) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 35 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= -3.5! K(o=-3.5!,f=-0.8) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0865 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 8.592 10.079 -23.177 1.00 0.00 N ATOM 2 CA GLY A -2 8.051 8.785 -23.551 1.00 0.00 C ATOM 3 C GLY A -2 6.536 8.758 -23.515 1.00 0.00 C ATOM 4 O GLY A -2 5.883 8.762 -24.559 1.00 0.00 O ATOM 0 H1 GLY A -2 9.631 10.046 -23.217 1.00 0.00 H new ATOM 0 H2 GLY A -2 8.243 10.805 -23.835 1.00 0.00 H new ATOM 0 H3 GLY A -2 8.290 10.315 -22.210 1.00 0.00 H new ATOM 0 HA2 GLY A -2 8.392 8.528 -24.554 1.00 0.00 H new ATOM 0 HA3 GLY A -2 8.441 8.023 -22.876 1.00 0.00 H new ATOM 8 N SER A -1 5.974 8.729 -22.311 1.00 0.00 N ATOM 9 CA SER A -1 4.526 8.696 -22.143 1.00 0.00 C ATOM 10 C SER A -1 4.121 9.293 -20.799 1.00 0.00 C ATOM 11 O SER A -1 4.934 9.388 -19.879 1.00 0.00 O ATOM 12 CB SER A -1 4.012 7.259 -22.252 1.00 0.00 C ATOM 13 OG SER A -1 2.595 7.223 -22.252 1.00 0.00 O ATOM 0 H SER A -1 6.500 8.728 -21.437 1.00 0.00 H new ATOM 0 HA SER A -1 4.079 9.296 -22.936 1.00 0.00 H new ATOM 0 HB2 SER A -1 4.391 6.802 -23.166 1.00 0.00 H new ATOM 0 HB3 SER A -1 4.394 6.669 -21.419 1.00 0.00 H new ATOM 0 HG SER A -1 2.291 6.294 -22.324 1.00 0.00 H new ATOM 19 N SER A 0 2.858 9.693 -20.693 1.00 0.00 N ATOM 20 CA SER A 0 2.344 10.284 -19.463 1.00 0.00 C ATOM 21 C SER A 0 0.862 9.970 -19.287 1.00 0.00 C ATOM 22 O SER A 0 0.054 10.208 -20.184 1.00 0.00 O ATOM 23 CB SER A 0 2.558 11.799 -19.472 1.00 0.00 C ATOM 24 OG SER A 0 2.022 12.382 -20.647 1.00 0.00 O ATOM 0 H SER A 0 2.172 9.619 -21.444 1.00 0.00 H new ATOM 0 HA SER A 0 2.891 9.851 -18.625 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.086 12.241 -18.595 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.623 12.019 -19.406 1.00 0.00 H new ATOM 0 HG SER A 0 1.187 11.928 -20.886 1.00 0.00 H new ATOM 30 N GLY A 1 0.512 9.433 -18.122 1.00 0.00 N ATOM 31 CA GLY A 1 -0.873 9.093 -17.848 1.00 0.00 C ATOM 32 C GLY A 1 -1.035 7.667 -17.362 1.00 0.00 C ATOM 33 O GLY A 1 -1.735 6.868 -17.984 1.00 0.00 O ATOM 0 H GLY A 1 1.162 9.227 -17.363 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.270 9.777 -17.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.464 9.235 -18.753 1.00 0.00 H new ATOM 37 N SER A 2 -0.385 7.345 -16.248 1.00 0.00 N ATOM 38 CA SER A 2 -0.456 6.003 -15.682 1.00 0.00 C ATOM 39 C SER A 2 0.190 5.961 -14.300 1.00 0.00 C ATOM 40 O SER A 2 1.012 6.812 -13.961 1.00 0.00 O ATOM 41 CB SER A 2 0.232 4.999 -16.609 1.00 0.00 C ATOM 42 OG SER A 2 1.576 5.371 -16.858 1.00 0.00 O ATOM 0 H SER A 2 0.197 7.995 -15.720 1.00 0.00 H new ATOM 0 HA SER A 2 -1.507 5.733 -15.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.204 4.006 -16.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.312 4.938 -17.552 1.00 0.00 H new ATOM 0 HG SER A 2 1.993 4.712 -17.451 1.00 0.00 H new ATOM 48 N SER A 3 -0.189 4.964 -13.507 1.00 0.00 N ATOM 49 CA SER A 3 0.349 4.812 -12.160 1.00 0.00 C ATOM 50 C SER A 3 0.602 3.342 -11.839 1.00 0.00 C ATOM 51 O SER A 3 0.077 2.451 -12.505 1.00 0.00 O ATOM 52 CB SER A 3 -0.613 5.413 -11.133 1.00 0.00 C ATOM 53 OG SER A 3 -1.723 4.560 -10.915 1.00 0.00 O ATOM 0 H SER A 3 -0.866 4.250 -13.774 1.00 0.00 H new ATOM 0 HA SER A 3 1.299 5.345 -12.112 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.088 5.580 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.961 6.386 -11.481 1.00 0.00 H new ATOM 0 HG SER A 3 -2.322 4.965 -10.254 1.00 0.00 H new ATOM 59 N GLY A 4 1.410 3.098 -10.812 1.00 0.00 N ATOM 60 CA GLY A 4 1.719 1.736 -10.419 1.00 0.00 C ATOM 61 C GLY A 4 2.527 1.671 -9.138 1.00 0.00 C ATOM 62 O GLY A 4 3.731 1.418 -9.167 1.00 0.00 O ATOM 0 H GLY A 4 1.856 3.819 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.791 1.180 -10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.274 1.247 -11.220 1.00 0.00 H new ATOM 66 N VAL A 5 1.863 1.901 -8.009 1.00 0.00 N ATOM 67 CA VAL A 5 2.527 1.868 -6.712 1.00 0.00 C ATOM 68 C VAL A 5 2.646 0.440 -6.191 1.00 0.00 C ATOM 69 O VAL A 5 1.831 -0.007 -5.386 1.00 0.00 O ATOM 70 CB VAL A 5 1.772 2.719 -5.673 1.00 0.00 C ATOM 71 CG1 VAL A 5 0.325 2.265 -5.560 1.00 0.00 C ATOM 72 CG2 VAL A 5 2.468 2.652 -4.322 1.00 0.00 C ATOM 0 H VAL A 5 0.866 2.112 -7.967 1.00 0.00 H new ATOM 0 HA VAL A 5 3.524 2.284 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 5 1.777 3.757 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.192 2.878 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.166 2.371 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.295 1.220 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.921 3.259 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.497 1.618 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.485 3.031 -4.418 1.00 0.00 H new ATOM 82 N GLU A 6 3.669 -0.270 -6.658 1.00 0.00 N ATOM 83 CA GLU A 6 3.894 -1.649 -6.240 1.00 0.00 C ATOM 84 C GLU A 6 3.720 -1.795 -4.731 1.00 0.00 C ATOM 85 O GLU A 6 4.163 -0.944 -3.958 1.00 0.00 O ATOM 86 CB GLU A 6 5.296 -2.106 -6.648 1.00 0.00 C ATOM 87 CG GLU A 6 5.378 -2.613 -8.079 1.00 0.00 C ATOM 88 CD GLU A 6 6.657 -3.379 -8.354 1.00 0.00 C ATOM 89 OE1 GLU A 6 7.729 -2.741 -8.410 1.00 0.00 O ATOM 90 OE2 GLU A 6 6.586 -4.615 -8.514 1.00 0.00 O ATOM 0 H GLU A 6 4.354 0.086 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 6 3.155 -2.278 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.990 -1.275 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.623 -2.896 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.522 -3.257 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.310 -1.768 -8.764 1.00 0.00 H new ATOM 97 N LEU A 7 3.072 -2.878 -4.318 1.00 0.00 N ATOM 98 CA LEU A 7 2.837 -3.137 -2.902 1.00 0.00 C ATOM 99 C LEU A 7 3.327 -4.528 -2.514 1.00 0.00 C ATOM 100 O LEU A 7 4.028 -4.695 -1.515 1.00 0.00 O ATOM 101 CB LEU A 7 1.349 -2.999 -2.578 1.00 0.00 C ATOM 102 CG LEU A 7 0.677 -1.706 -3.042 1.00 0.00 C ATOM 103 CD1 LEU A 7 -0.827 -1.779 -2.828 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.265 -0.508 -2.311 1.00 0.00 C ATOM 0 H LEU A 7 2.699 -3.592 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 7 3.398 -2.401 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.821 -3.840 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.224 -3.083 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 7 0.865 -1.584 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.288 -0.850 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.236 -2.614 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.037 -1.926 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.775 0.404 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.108 -0.623 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.334 -0.445 -2.517 1.00 0.00 H new ATOM 116 N HIS A 8 2.956 -5.525 -3.312 1.00 0.00 N ATOM 117 CA HIS A 8 3.360 -6.902 -3.053 1.00 0.00 C ATOM 118 C HIS A 8 4.854 -6.983 -2.757 1.00 0.00 C ATOM 119 O HIS A 8 5.267 -7.528 -1.733 1.00 0.00 O ATOM 120 CB HIS A 8 3.016 -7.790 -4.250 1.00 0.00 C ATOM 121 CG HIS A 8 3.318 -7.155 -5.573 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.511 -7.337 -6.240 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.573 -6.337 -6.353 1.00 0.00 C ATOM 124 CE1 HIS A 8 4.487 -6.657 -7.373 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.322 -6.042 -7.465 1.00 0.00 N ATOM 0 H HIS A 8 2.377 -5.405 -4.143 1.00 0.00 H new ATOM 0 HA HIS A 8 2.815 -7.257 -2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 8 3.571 -8.725 -4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.957 -8.044 -4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.575 -5.983 -6.140 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.284 -6.612 -8.100 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.027 -5.445 -8.237 1.00 0.00 H new ATOM 133 N LYS A 9 5.662 -6.439 -3.661 1.00 0.00 N ATOM 134 CA LYS A 9 7.111 -6.449 -3.497 1.00 0.00 C ATOM 135 C LYS A 9 7.501 -6.043 -2.080 1.00 0.00 C ATOM 136 O LYS A 9 8.328 -6.695 -1.442 1.00 0.00 O ATOM 137 CB LYS A 9 7.765 -5.504 -4.508 1.00 0.00 C ATOM 138 CG LYS A 9 7.647 -5.977 -5.947 1.00 0.00 C ATOM 139 CD LYS A 9 8.676 -7.048 -6.268 1.00 0.00 C ATOM 140 CE LYS A 9 8.281 -7.849 -7.500 1.00 0.00 C ATOM 141 NZ LYS A 9 7.229 -8.856 -7.192 1.00 0.00 N ATOM 0 H LYS A 9 5.338 -5.985 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 9 7.465 -7.464 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.308 -4.518 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.820 -5.390 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.645 -6.370 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.779 -5.131 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.648 -6.583 -6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.783 -7.719 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.920 -7.171 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.160 -8.353 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.963 -9.358 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.594 -9.538 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.394 -8.376 -6.800 1.00 0.00 H new ATOM 155 N LEU A 10 6.901 -4.963 -1.593 1.00 0.00 N ATOM 156 CA LEU A 10 7.185 -4.470 -0.249 1.00 0.00 C ATOM 157 C LEU A 10 6.859 -5.529 0.799 1.00 0.00 C ATOM 158 O LEU A 10 5.727 -6.004 0.888 1.00 0.00 O ATOM 159 CB LEU A 10 6.382 -3.198 0.029 1.00 0.00 C ATOM 160 CG LEU A 10 6.736 -1.981 -0.827 1.00 0.00 C ATOM 161 CD1 LEU A 10 5.706 -0.878 -0.638 1.00 0.00 C ATOM 162 CD2 LEU A 10 8.130 -1.475 -0.485 1.00 0.00 C ATOM 0 H LEU A 10 6.215 -4.412 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 10 8.249 -4.241 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.325 -3.422 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.514 -2.931 1.077 1.00 0.00 H new ATOM 0 HG LEU A 10 6.728 -2.283 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.974 -0.020 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.723 -1.244 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.682 -0.578 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.365 -0.609 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.166 -1.190 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.859 -2.263 -0.672 1.00 0.00 H new ATOM 174 N LYS A 11 7.859 -5.895 1.594 1.00 0.00 N ATOM 175 CA LYS A 11 7.680 -6.895 2.640 1.00 0.00 C ATOM 176 C LYS A 11 6.672 -6.420 3.680 1.00 0.00 C ATOM 177 O LYS A 11 6.150 -5.307 3.591 1.00 0.00 O ATOM 178 CB LYS A 11 9.019 -7.202 3.314 1.00 0.00 C ATOM 179 CG LYS A 11 9.963 -8.018 2.449 1.00 0.00 C ATOM 180 CD LYS A 11 11.120 -8.578 3.259 1.00 0.00 C ATOM 181 CE LYS A 11 10.694 -9.791 4.073 1.00 0.00 C ATOM 182 NZ LYS A 11 11.864 -10.598 4.519 1.00 0.00 N ATOM 0 H LYS A 11 8.803 -5.513 1.534 1.00 0.00 H new ATOM 0 HA LYS A 11 7.296 -7.804 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.505 -6.264 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.833 -7.741 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.415 -8.837 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.350 -7.394 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.934 -8.855 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.505 -7.807 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.126 -9.463 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.029 -10.415 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.532 -11.415 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.392 -10.932 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.486 -10.011 5.111 1.00 0.00 H new ATOM 196 N LEU A 12 6.403 -7.267 4.667 1.00 0.00 N ATOM 197 CA LEU A 12 5.457 -6.933 5.726 1.00 0.00 C ATOM 198 C LEU A 12 5.880 -5.660 6.452 1.00 0.00 C ATOM 199 O LEU A 12 5.058 -4.785 6.722 1.00 0.00 O ATOM 200 CB LEU A 12 5.347 -8.089 6.722 1.00 0.00 C ATOM 201 CG LEU A 12 4.310 -9.163 6.393 1.00 0.00 C ATOM 202 CD1 LEU A 12 2.918 -8.556 6.318 1.00 0.00 C ATOM 203 CD2 LEU A 12 4.661 -9.860 5.086 1.00 0.00 C ATOM 0 H LEU A 12 6.827 -8.191 4.756 1.00 0.00 H new ATOM 0 HA LEU A 12 4.483 -6.762 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.323 -8.567 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.114 -7.676 7.703 1.00 0.00 H new ATOM 0 HG LEU A 12 4.318 -9.905 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.193 -9.336 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.666 -8.104 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.895 -7.793 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.912 -10.621 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.682 -9.129 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.641 -10.330 5.176 1.00 0.00 H new ATOM 215 N ALA A 13 7.169 -5.563 6.763 1.00 0.00 N ATOM 216 CA ALA A 13 7.702 -4.395 7.453 1.00 0.00 C ATOM 217 C ALA A 13 7.476 -3.125 6.639 1.00 0.00 C ATOM 218 O ALA A 13 7.115 -2.084 7.185 1.00 0.00 O ATOM 219 CB ALA A 13 9.184 -4.583 7.741 1.00 0.00 C ATOM 0 H ALA A 13 7.863 -6.279 6.548 1.00 0.00 H new ATOM 0 HA ALA A 13 7.170 -4.288 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.569 -3.703 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.324 -5.462 8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.723 -4.719 6.803 1.00 0.00 H new ATOM 225 N GLU A 14 7.691 -3.221 5.331 1.00 0.00 N ATOM 226 CA GLU A 14 7.512 -2.078 4.443 1.00 0.00 C ATOM 227 C GLU A 14 6.047 -1.657 4.387 1.00 0.00 C ATOM 228 O GLU A 14 5.728 -0.468 4.442 1.00 0.00 O ATOM 229 CB GLU A 14 8.011 -2.414 3.036 1.00 0.00 C ATOM 230 CG GLU A 14 9.525 -2.507 2.933 1.00 0.00 C ATOM 231 CD GLU A 14 10.185 -1.147 2.812 1.00 0.00 C ATOM 232 OE1 GLU A 14 9.673 -0.306 2.045 1.00 0.00 O ATOM 233 OE2 GLU A 14 11.214 -0.925 3.483 1.00 0.00 O ATOM 0 H GLU A 14 7.989 -4.077 4.863 1.00 0.00 H new ATOM 0 HA GLU A 14 8.096 -1.248 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.575 -3.362 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.654 -1.653 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.915 -3.019 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.790 -3.114 2.067 1.00 0.00 H new ATOM 240 N LEU A 15 5.159 -2.639 4.277 1.00 0.00 N ATOM 241 CA LEU A 15 3.726 -2.372 4.213 1.00 0.00 C ATOM 242 C LEU A 15 3.243 -1.685 5.487 1.00 0.00 C ATOM 243 O LEU A 15 2.506 -0.701 5.433 1.00 0.00 O ATOM 244 CB LEU A 15 2.953 -3.674 3.997 1.00 0.00 C ATOM 245 CG LEU A 15 3.192 -4.383 2.664 1.00 0.00 C ATOM 246 CD1 LEU A 15 2.548 -5.761 2.669 1.00 0.00 C ATOM 247 CD2 LEU A 15 2.657 -3.546 1.511 1.00 0.00 C ATOM 0 H LEU A 15 5.406 -3.628 4.230 1.00 0.00 H new ATOM 0 HA LEU A 15 3.543 -1.705 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.208 -4.362 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.888 -3.460 4.086 1.00 0.00 H new ATOM 0 HG LEU A 15 4.266 -4.507 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.729 -6.251 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.979 -6.361 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.474 -5.660 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.836 -4.066 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.586 -3.389 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.165 -2.582 1.495 1.00 0.00 H new ATOM 259 N LYS A 16 3.665 -2.210 6.632 1.00 0.00 N ATOM 260 CA LYS A 16 3.279 -1.647 7.920 1.00 0.00 C ATOM 261 C LYS A 16 3.741 -0.199 8.041 1.00 0.00 C ATOM 262 O LYS A 16 3.008 0.656 8.539 1.00 0.00 O ATOM 263 CB LYS A 16 3.870 -2.479 9.061 1.00 0.00 C ATOM 264 CG LYS A 16 3.243 -3.856 9.197 1.00 0.00 C ATOM 265 CD LYS A 16 3.629 -4.517 10.510 1.00 0.00 C ATOM 266 CE LYS A 16 2.837 -5.794 10.745 1.00 0.00 C ATOM 267 NZ LYS A 16 3.585 -6.762 11.594 1.00 0.00 N ATOM 0 H LYS A 16 4.275 -3.025 6.694 1.00 0.00 H new ATOM 0 HA LYS A 16 2.191 -1.670 7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.942 -2.591 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.743 -1.937 9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.158 -3.770 9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.560 -4.485 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.695 -4.745 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.455 -3.823 11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.888 -5.550 11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.602 -6.257 9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.012 -7.619 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.479 -7.015 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.787 -6.329 12.518 1.00 0.00 H new ATOM 281 N GLN A 17 4.959 0.070 7.582 1.00 0.00 N ATOM 282 CA GLN A 17 5.517 1.416 7.639 1.00 0.00 C ATOM 283 C GLN A 17 4.653 2.397 6.853 1.00 0.00 C ATOM 284 O GLN A 17 4.386 3.507 7.311 1.00 0.00 O ATOM 285 CB GLN A 17 6.945 1.422 7.090 1.00 0.00 C ATOM 286 CG GLN A 17 7.653 2.757 7.254 1.00 0.00 C ATOM 287 CD GLN A 17 8.042 3.040 8.691 1.00 0.00 C ATOM 288 OE1 GLN A 17 7.523 3.965 9.317 1.00 0.00 O ATOM 289 NE2 GLN A 17 8.959 2.241 9.225 1.00 0.00 N ATOM 0 H GLN A 17 5.578 -0.626 7.167 1.00 0.00 H new ATOM 0 HA GLN A 17 5.535 1.731 8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.523 0.649 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.920 1.161 6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.547 2.768 6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.003 3.555 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.363 1.486 8.670 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.259 2.382 10.190 1.00 0.00 H new ATOM 298 N GLU A 18 4.220 1.978 5.667 1.00 0.00 N ATOM 299 CA GLU A 18 3.388 2.822 4.818 1.00 0.00 C ATOM 300 C GLU A 18 2.070 3.159 5.510 1.00 0.00 C ATOM 301 O GLU A 18 1.620 4.305 5.486 1.00 0.00 O ATOM 302 CB GLU A 18 3.112 2.126 3.483 1.00 0.00 C ATOM 303 CG GLU A 18 4.356 1.925 2.633 1.00 0.00 C ATOM 304 CD GLU A 18 5.075 3.227 2.335 1.00 0.00 C ATOM 305 OE1 GLU A 18 5.855 3.685 3.196 1.00 0.00 O ATOM 306 OE2 GLU A 18 4.858 3.787 1.240 1.00 0.00 O ATOM 0 H GLU A 18 4.431 1.061 5.274 1.00 0.00 H new ATOM 0 HA GLU A 18 3.928 3.750 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.654 1.156 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.388 2.714 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.037 1.247 3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.077 1.445 1.695 1.00 0.00 H new ATOM 313 N CYS A 19 1.457 2.153 6.124 1.00 0.00 N ATOM 314 CA CYS A 19 0.191 2.341 6.822 1.00 0.00 C ATOM 315 C CYS A 19 0.348 3.322 7.979 1.00 0.00 C ATOM 316 O CYS A 19 -0.512 4.176 8.204 1.00 0.00 O ATOM 317 CB CYS A 19 -0.333 1.001 7.341 1.00 0.00 C ATOM 318 SG CYS A 19 -0.740 -0.187 6.040 1.00 0.00 S ATOM 0 H CYS A 19 1.817 1.199 6.152 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.528 2.754 6.114 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.416 0.560 7.999 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.222 1.180 7.945 1.00 0.00 H new ATOM 0 HG CYS A 19 0.356 -0.664 5.530 1.00 0.00 H new ATOM 324 N LEU A 20 1.449 3.195 8.710 1.00 0.00 N ATOM 325 CA LEU A 20 1.719 4.069 9.846 1.00 0.00 C ATOM 326 C LEU A 20 1.858 5.520 9.395 1.00 0.00 C ATOM 327 O LEU A 20 1.274 6.424 9.991 1.00 0.00 O ATOM 328 CB LEU A 20 2.991 3.623 10.568 1.00 0.00 C ATOM 329 CG LEU A 20 2.802 2.606 11.694 1.00 0.00 C ATOM 330 CD1 LEU A 20 4.102 2.408 12.459 1.00 0.00 C ATOM 331 CD2 LEU A 20 1.691 3.050 12.634 1.00 0.00 C ATOM 0 H LEU A 20 2.170 2.495 8.536 1.00 0.00 H new ATOM 0 HA LEU A 20 0.876 4.000 10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.673 3.197 9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.479 4.506 10.981 1.00 0.00 H new ATOM 0 HG LEU A 20 2.516 1.652 11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.948 1.681 13.256 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.872 2.043 11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.419 3.358 12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.571 2.314 13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.947 4.016 13.070 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.758 3.139 12.078 1.00 0.00 H new ATOM 343 N ALA A 21 2.635 5.733 8.338 1.00 0.00 N ATOM 344 CA ALA A 21 2.848 7.073 7.805 1.00 0.00 C ATOM 345 C ALA A 21 1.527 7.720 7.404 1.00 0.00 C ATOM 346 O ALA A 21 1.319 8.915 7.620 1.00 0.00 O ATOM 347 CB ALA A 21 3.796 7.023 6.616 1.00 0.00 C ATOM 0 H ALA A 21 3.127 4.995 7.834 1.00 0.00 H new ATOM 0 HA ALA A 21 3.298 7.682 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.946 8.030 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.754 6.609 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.368 6.394 5.836 1.00 0.00 H new ATOM 353 N ARG A 22 0.637 6.926 6.818 1.00 0.00 N ATOM 354 CA ARG A 22 -0.663 7.423 6.385 1.00 0.00 C ATOM 355 C ARG A 22 -1.613 7.565 7.571 1.00 0.00 C ATOM 356 O ARG A 22 -2.475 8.442 7.587 1.00 0.00 O ATOM 357 CB ARG A 22 -1.270 6.483 5.341 1.00 0.00 C ATOM 358 CG ARG A 22 -0.409 6.314 4.100 1.00 0.00 C ATOM 359 CD ARG A 22 -1.081 5.416 3.074 1.00 0.00 C ATOM 360 NE ARG A 22 -0.131 4.904 2.089 1.00 0.00 N ATOM 361 CZ ARG A 22 0.458 5.665 1.173 1.00 0.00 C ATOM 362 NH1 ARG A 22 0.198 6.964 1.118 1.00 0.00 N ATOM 363 NH2 ARG A 22 1.311 5.126 0.311 1.00 0.00 N ATOM 0 H ARG A 22 0.793 5.935 6.632 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.518 8.406 5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.433 5.506 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.247 6.864 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.212 7.290 3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.555 5.890 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.561 4.580 3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.867 5.973 2.564 1.00 0.00 H new ATOM 0 HE ARG A 22 0.092 3.909 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.456 7.382 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.652 7.546 0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.514 4.127 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.763 5.710 -0.392 1.00 0.00 H new ATOM 377 N GLY A 23 -1.449 6.694 8.562 1.00 0.00 N ATOM 378 CA GLY A 23 -2.299 6.738 9.737 1.00 0.00 C ATOM 379 C GLY A 23 -3.409 5.707 9.690 1.00 0.00 C ATOM 380 O GLY A 23 -4.530 5.970 10.128 1.00 0.00 O ATOM 0 H GLY A 23 -0.742 5.959 8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.692 6.573 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.735 7.733 9.829 1.00 0.00 H new ATOM 384 N LEU A 24 -3.099 4.531 9.155 1.00 0.00 N ATOM 385 CA LEU A 24 -4.079 3.456 9.050 1.00 0.00 C ATOM 386 C LEU A 24 -3.761 2.331 10.030 1.00 0.00 C ATOM 387 O LEU A 24 -2.711 2.333 10.671 1.00 0.00 O ATOM 388 CB LEU A 24 -4.114 2.909 7.622 1.00 0.00 C ATOM 389 CG LEU A 24 -4.489 3.910 6.529 1.00 0.00 C ATOM 390 CD1 LEU A 24 -4.098 3.376 5.159 1.00 0.00 C ATOM 391 CD2 LEU A 24 -5.978 4.221 6.577 1.00 0.00 C ATOM 0 H LEU A 24 -2.177 4.298 8.787 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.058 3.865 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.132 2.497 7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.823 2.082 7.588 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.940 4.835 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.373 4.102 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.022 3.206 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.619 2.437 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.226 4.935 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.546 3.303 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.229 4.648 7.548 1.00 0.00 H new ATOM 403 N GLU A 25 -4.675 1.372 10.138 1.00 0.00 N ATOM 404 CA GLU A 25 -4.490 0.240 11.039 1.00 0.00 C ATOM 405 C GLU A 25 -3.571 -0.806 10.417 1.00 0.00 C ATOM 406 O GLU A 25 -3.883 -1.384 9.375 1.00 0.00 O ATOM 407 CB GLU A 25 -5.841 -0.391 11.384 1.00 0.00 C ATOM 408 CG GLU A 25 -5.880 -1.031 12.762 1.00 0.00 C ATOM 409 CD GLU A 25 -7.285 -1.120 13.324 1.00 0.00 C ATOM 410 OE1 GLU A 25 -8.197 -1.532 12.577 1.00 0.00 O ATOM 411 OE2 GLU A 25 -7.473 -0.779 14.510 1.00 0.00 O ATOM 0 H GLU A 25 -5.550 1.356 9.614 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.025 0.608 11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.615 0.374 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.082 -1.146 10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.451 -2.031 12.706 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.256 -0.454 13.444 1.00 0.00 H new ATOM 418 N THR A 26 -2.434 -1.046 11.063 1.00 0.00 N ATOM 419 CA THR A 26 -1.468 -2.021 10.573 1.00 0.00 C ATOM 420 C THR A 26 -1.827 -3.430 11.032 1.00 0.00 C ATOM 421 O THR A 26 -0.956 -4.208 11.421 1.00 0.00 O ATOM 422 CB THR A 26 -0.041 -1.686 11.049 1.00 0.00 C ATOM 423 OG1 THR A 26 0.004 -1.661 12.480 1.00 0.00 O ATOM 424 CG2 THR A 26 0.411 -0.342 10.499 1.00 0.00 C ATOM 0 H THR A 26 -2.160 -0.578 11.927 1.00 0.00 H new ATOM 0 HA THR A 26 -1.500 -1.978 9.484 1.00 0.00 H new ATOM 0 HB THR A 26 0.633 -2.458 10.678 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.914 -1.449 12.775 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.421 -0.127 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.403 -0.373 9.409 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.266 0.439 10.844 1.00 0.00 H new ATOM 432 N LYS A 27 -3.115 -3.752 10.985 1.00 0.00 N ATOM 433 CA LYS A 27 -3.590 -5.068 11.394 1.00 0.00 C ATOM 434 C LYS A 27 -3.956 -5.916 10.180 1.00 0.00 C ATOM 435 O LYS A 27 -4.379 -5.393 9.150 1.00 0.00 O ATOM 436 CB LYS A 27 -4.803 -4.931 12.318 1.00 0.00 C ATOM 437 CG LYS A 27 -6.070 -4.502 11.599 1.00 0.00 C ATOM 438 CD LYS A 27 -7.290 -4.628 12.496 1.00 0.00 C ATOM 439 CE LYS A 27 -8.578 -4.393 11.721 1.00 0.00 C ATOM 440 NZ LYS A 27 -9.766 -4.357 12.618 1.00 0.00 N ATOM 0 H LYS A 27 -3.849 -3.119 10.667 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.784 -5.566 11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.982 -5.886 12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.575 -4.205 13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.968 -3.469 11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.208 -5.113 10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.311 -5.620 12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.219 -3.909 13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.507 -3.452 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.706 -5.183 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.623 -4.195 12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.849 -5.264 13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.656 -3.587 13.309 1.00 0.00 H new ATOM 454 N GLY A 28 -3.792 -7.229 10.310 1.00 0.00 N ATOM 455 CA GLY A 28 -4.111 -8.128 9.216 1.00 0.00 C ATOM 456 C GLY A 28 -2.873 -8.723 8.574 1.00 0.00 C ATOM 457 O GLY A 28 -1.755 -8.492 9.036 1.00 0.00 O ATOM 0 H GLY A 28 -3.444 -7.686 11.153 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.747 -8.932 9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.684 -7.588 8.462 1.00 0.00 H new ATOM 461 N ILE A 29 -3.072 -9.491 7.509 1.00 0.00 N ATOM 462 CA ILE A 29 -1.963 -10.121 6.804 1.00 0.00 C ATOM 463 C ILE A 29 -1.498 -9.262 5.632 1.00 0.00 C ATOM 464 O ILE A 29 -2.037 -8.183 5.386 1.00 0.00 O ATOM 465 CB ILE A 29 -2.348 -11.518 6.281 1.00 0.00 C ATOM 466 CG1 ILE A 29 -3.492 -11.410 5.271 1.00 0.00 C ATOM 467 CG2 ILE A 29 -2.738 -12.426 7.437 1.00 0.00 C ATOM 468 CD1 ILE A 29 -3.604 -12.609 4.355 1.00 0.00 C ATOM 0 H ILE A 29 -3.991 -9.692 7.115 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.150 -10.223 7.523 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.485 -11.953 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.431 -11.286 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.350 -10.514 4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.008 -13.410 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.897 -12.523 8.123 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.590 -11.997 7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.436 -12.464 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.679 -12.722 3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.778 -13.506 4.949 1.00 0.00 H new ATOM 480 N LYS A 30 -0.494 -9.750 4.911 1.00 0.00 N ATOM 481 CA LYS A 30 0.043 -9.030 3.762 1.00 0.00 C ATOM 482 C LYS A 30 -1.081 -8.457 2.905 1.00 0.00 C ATOM 483 O LYS A 30 -1.116 -7.257 2.633 1.00 0.00 O ATOM 484 CB LYS A 30 0.921 -9.957 2.918 1.00 0.00 C ATOM 485 CG LYS A 30 1.615 -9.254 1.765 1.00 0.00 C ATOM 486 CD LYS A 30 2.752 -10.091 1.204 1.00 0.00 C ATOM 487 CE LYS A 30 3.807 -9.223 0.536 1.00 0.00 C ATOM 488 NZ LYS A 30 4.843 -8.766 1.503 1.00 0.00 N ATOM 0 H LYS A 30 -0.036 -10.641 5.102 1.00 0.00 H new ATOM 0 HA LYS A 30 0.650 -8.204 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.674 -10.414 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.306 -10.765 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.892 -9.046 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.002 -8.293 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.210 -10.669 2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.357 -10.806 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.283 -9.784 -0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.329 -8.356 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.401 -7.998 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.382 -8.420 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.471 -9.560 1.740 1.00 0.00 H new ATOM 502 N GLN A 31 -1.998 -9.322 2.483 1.00 0.00 N ATOM 503 CA GLN A 31 -3.123 -8.901 1.658 1.00 0.00 C ATOM 504 C GLN A 31 -3.928 -7.808 2.352 1.00 0.00 C ATOM 505 O GLN A 31 -4.354 -6.840 1.721 1.00 0.00 O ATOM 506 CB GLN A 31 -4.027 -10.094 1.342 1.00 0.00 C ATOM 507 CG GLN A 31 -4.869 -9.906 0.091 1.00 0.00 C ATOM 508 CD GLN A 31 -5.813 -11.065 -0.157 1.00 0.00 C ATOM 509 OE1 GLN A 31 -6.067 -11.876 0.734 1.00 0.00 O ATOM 510 NE2 GLN A 31 -6.340 -11.151 -1.373 1.00 0.00 N ATOM 0 H GLN A 31 -1.983 -10.319 2.699 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.726 -8.499 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.410 -10.985 1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.687 -10.273 2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.446 -8.986 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.212 -9.787 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.102 -10.457 -2.082 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.982 -11.911 -1.598 1.00 0.00 H new ATOM 519 N ASP A 32 -4.134 -7.968 3.655 1.00 0.00 N ATOM 520 CA ASP A 32 -4.888 -6.994 4.436 1.00 0.00 C ATOM 521 C ASP A 32 -4.219 -5.624 4.387 1.00 0.00 C ATOM 522 O ASP A 32 -4.886 -4.602 4.222 1.00 0.00 O ATOM 523 CB ASP A 32 -5.017 -7.462 5.886 1.00 0.00 C ATOM 524 CG ASP A 32 -6.072 -8.537 6.057 1.00 0.00 C ATOM 525 OD1 ASP A 32 -7.152 -8.409 5.445 1.00 0.00 O ATOM 526 OD2 ASP A 32 -5.817 -9.506 6.803 1.00 0.00 O ATOM 0 H ASP A 32 -3.789 -8.763 4.193 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.884 -6.907 4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.055 -7.844 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.265 -6.610 6.519 1.00 0.00 H new ATOM 531 N LEU A 33 -2.899 -5.610 4.533 1.00 0.00 N ATOM 532 CA LEU A 33 -2.139 -4.365 4.507 1.00 0.00 C ATOM 533 C LEU A 33 -2.251 -3.687 3.146 1.00 0.00 C ATOM 534 O LEU A 33 -2.453 -2.476 3.059 1.00 0.00 O ATOM 535 CB LEU A 33 -0.670 -4.634 4.836 1.00 0.00 C ATOM 536 CG LEU A 33 -0.347 -4.884 6.310 1.00 0.00 C ATOM 537 CD1 LEU A 33 0.986 -5.603 6.450 1.00 0.00 C ATOM 538 CD2 LEU A 33 -0.331 -3.573 7.082 1.00 0.00 C ATOM 0 H LEU A 33 -2.332 -6.447 4.671 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.557 -3.697 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.342 -5.500 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.080 -3.783 4.495 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.126 -5.521 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.199 -5.772 7.506 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.939 -6.560 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.776 -4.992 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.100 -3.770 8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.427 -2.912 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.309 -3.096 7.010 1.00 0.00 H new ATOM 550 N ILE A 34 -2.122 -4.477 2.085 1.00 0.00 N ATOM 551 CA ILE A 34 -2.212 -3.953 0.728 1.00 0.00 C ATOM 552 C ILE A 34 -3.620 -3.454 0.424 1.00 0.00 C ATOM 553 O ILE A 34 -3.800 -2.361 -0.116 1.00 0.00 O ATOM 554 CB ILE A 34 -1.821 -5.019 -0.314 1.00 0.00 C ATOM 555 CG1 ILE A 34 -0.347 -5.398 -0.160 1.00 0.00 C ATOM 556 CG2 ILE A 34 -2.099 -4.511 -1.721 1.00 0.00 C ATOM 557 CD1 ILE A 34 0.002 -6.731 -0.783 1.00 0.00 C ATOM 0 H ILE A 34 -1.955 -5.482 2.139 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.512 -3.120 0.664 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.425 -5.910 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.269 -4.622 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.096 -5.425 0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.818 -5.275 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.161 -4.287 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.518 -3.607 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.063 -6.935 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.588 -7.518 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.217 -6.702 -1.850 1.00 0.00 H new ATOM 569 N HIS A 35 -4.617 -4.259 0.776 1.00 0.00 N ATOM 570 CA HIS A 35 -6.011 -3.898 0.543 1.00 0.00 C ATOM 571 C HIS A 35 -6.332 -2.543 1.166 1.00 0.00 C ATOM 572 O HIS A 35 -7.047 -1.732 0.577 1.00 0.00 O ATOM 573 CB HIS A 35 -6.940 -4.969 1.115 1.00 0.00 C ATOM 574 CG HIS A 35 -7.216 -6.093 0.165 1.00 0.00 C ATOM 575 ND1 HIS A 35 -7.468 -7.384 0.579 1.00 0.00 N ATOM 576 CD2 HIS A 35 -7.281 -6.113 -1.187 1.00 0.00 C ATOM 577 CE1 HIS A 35 -7.674 -8.150 -0.477 1.00 0.00 C ATOM 578 NE2 HIS A 35 -7.567 -7.403 -1.561 1.00 0.00 N ATOM 0 H HIS A 35 -4.486 -5.166 1.224 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.168 -3.830 -0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.497 -5.374 2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.884 -4.505 1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.135 -5.272 -1.848 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.893 -9.207 -0.457 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.679 -7.731 -2.520 1.00 0.00 H new ATOM 586 N ARG A 36 -5.799 -2.304 2.360 1.00 0.00 N ATOM 587 CA ARG A 36 -6.031 -1.049 3.063 1.00 0.00 C ATOM 588 C ARG A 36 -5.342 0.110 2.347 1.00 0.00 C ATOM 589 O ARG A 36 -5.930 1.177 2.162 1.00 0.00 O ATOM 590 CB ARG A 36 -5.524 -1.145 4.503 1.00 0.00 C ATOM 591 CG ARG A 36 -6.300 -0.277 5.481 1.00 0.00 C ATOM 592 CD ARG A 36 -6.313 -0.883 6.875 1.00 0.00 C ATOM 593 NE ARG A 36 -7.423 -1.815 7.056 1.00 0.00 N ATOM 594 CZ ARG A 36 -7.424 -2.791 7.957 1.00 0.00 C ATOM 595 NH1 ARG A 36 -6.378 -2.963 8.754 1.00 0.00 N ATOM 596 NH2 ARG A 36 -8.472 -3.599 8.062 1.00 0.00 N ATOM 0 H ARG A 36 -5.203 -2.964 2.860 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.105 -0.861 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.578 -2.183 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.473 -0.857 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.854 0.717 5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.324 -0.154 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.371 -1.402 7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.384 -0.087 7.616 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.242 -1.711 6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.570 -2.345 8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.381 -3.713 9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.278 -3.471 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.471 -4.348 8.754 1.00 0.00 H new ATOM 610 N LEU A 37 -4.094 -0.106 1.947 1.00 0.00 N ATOM 611 CA LEU A 37 -3.325 0.920 1.252 1.00 0.00 C ATOM 612 C LEU A 37 -4.015 1.334 -0.044 1.00 0.00 C ATOM 613 O LEU A 37 -4.054 2.515 -0.387 1.00 0.00 O ATOM 614 CB LEU A 37 -1.914 0.412 0.952 1.00 0.00 C ATOM 615 CG LEU A 37 -1.066 0.028 2.165 1.00 0.00 C ATOM 616 CD1 LEU A 37 -0.042 -1.031 1.787 1.00 0.00 C ATOM 617 CD2 LEU A 37 -0.379 1.255 2.746 1.00 0.00 C ATOM 0 H LEU A 37 -3.593 -0.983 2.092 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.260 1.793 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.994 -0.458 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.384 1.182 0.392 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.724 -0.389 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.552 -1.292 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.556 -1.919 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.613 -0.642 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.220 0.962 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.267 1.702 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.131 1.981 3.056 1.00 0.00 H new ATOM 629 N GLN A 38 -4.559 0.354 -0.757 1.00 0.00 N ATOM 630 CA GLN A 38 -5.249 0.617 -2.015 1.00 0.00 C ATOM 631 C GLN A 38 -6.525 1.419 -1.778 1.00 0.00 C ATOM 632 O GLN A 38 -6.787 2.404 -2.468 1.00 0.00 O ATOM 633 CB GLN A 38 -5.583 -0.697 -2.722 1.00 0.00 C ATOM 634 CG GLN A 38 -4.404 -1.307 -3.462 1.00 0.00 C ATOM 635 CD GLN A 38 -4.758 -2.608 -4.155 1.00 0.00 C ATOM 636 OE1 GLN A 38 -5.116 -2.620 -5.333 1.00 0.00 O ATOM 637 NE2 GLN A 38 -4.660 -3.713 -3.426 1.00 0.00 N ATOM 0 H GLN A 38 -4.536 -0.629 -0.486 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.585 1.204 -2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.949 -1.413 -1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.394 -0.523 -3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.036 -0.595 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.591 -1.485 -2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.359 -3.657 -2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.885 -4.618 -3.839 1.00 0.00 H new ATOM 646 N ALA A 39 -7.314 0.990 -0.799 1.00 0.00 N ATOM 647 CA ALA A 39 -8.561 1.670 -0.470 1.00 0.00 C ATOM 648 C ALA A 39 -8.314 3.134 -0.122 1.00 0.00 C ATOM 649 O ALA A 39 -9.023 4.023 -0.594 1.00 0.00 O ATOM 650 CB ALA A 39 -9.260 0.962 0.681 1.00 0.00 C ATOM 0 H ALA A 39 -7.112 0.175 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.206 1.637 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.190 1.480 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.480 -0.067 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.612 0.964 1.557 1.00 0.00 H new ATOM 656 N TYR A 40 -7.305 3.377 0.707 1.00 0.00 N ATOM 657 CA TYR A 40 -6.966 4.733 1.121 1.00 0.00 C ATOM 658 C TYR A 40 -6.538 5.578 -0.075 1.00 0.00 C ATOM 659 O TYR A 40 -6.913 6.745 -0.192 1.00 0.00 O ATOM 660 CB TYR A 40 -5.848 4.706 2.166 1.00 0.00 C ATOM 661 CG TYR A 40 -5.337 6.078 2.542 1.00 0.00 C ATOM 662 CD1 TYR A 40 -6.076 6.912 3.373 1.00 0.00 C ATOM 663 CD2 TYR A 40 -4.118 6.542 2.065 1.00 0.00 C ATOM 664 CE1 TYR A 40 -5.613 8.167 3.719 1.00 0.00 C ATOM 665 CE2 TYR A 40 -3.647 7.795 2.407 1.00 0.00 C ATOM 666 CZ TYR A 40 -4.398 8.604 3.234 1.00 0.00 C ATOM 667 OH TYR A 40 -3.933 9.853 3.575 1.00 0.00 O ATOM 0 H TYR A 40 -6.708 2.653 1.105 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.856 5.183 1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.213 4.205 3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.019 4.111 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.028 6.573 3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.528 5.912 1.415 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.199 8.803 4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.696 8.139 2.029 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.063 10.005 3.151 1.00 0.00 H new ATOM 677 N LEU A 41 -5.752 4.978 -0.963 1.00 0.00 N ATOM 678 CA LEU A 41 -5.273 5.673 -2.152 1.00 0.00 C ATOM 679 C LEU A 41 -6.439 6.135 -3.020 1.00 0.00 C ATOM 680 O LEU A 41 -6.478 7.282 -3.464 1.00 0.00 O ATOM 681 CB LEU A 41 -4.349 4.762 -2.962 1.00 0.00 C ATOM 682 CG LEU A 41 -2.932 4.585 -2.415 1.00 0.00 C ATOM 683 CD1 LEU A 41 -2.205 3.478 -3.164 1.00 0.00 C ATOM 684 CD2 LEU A 41 -2.158 5.892 -2.508 1.00 0.00 C ATOM 0 H LEU A 41 -5.433 4.012 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.715 6.552 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.814 3.779 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.279 5.158 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.001 4.300 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.198 3.366 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.749 2.541 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.146 3.733 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.152 5.748 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.098 6.206 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.669 6.659 -1.926 1.00 0.00 H new ATOM 696 N GLU A 42 -7.388 5.234 -3.256 1.00 0.00 N ATOM 697 CA GLU A 42 -8.556 5.551 -4.069 1.00 0.00 C ATOM 698 C GLU A 42 -9.484 6.516 -3.337 1.00 0.00 C ATOM 699 O GLU A 42 -9.987 7.474 -3.923 1.00 0.00 O ATOM 700 CB GLU A 42 -9.315 4.272 -4.431 1.00 0.00 C ATOM 701 CG GLU A 42 -9.863 3.528 -3.225 1.00 0.00 C ATOM 702 CD GLU A 42 -10.717 2.337 -3.614 1.00 0.00 C ATOM 703 OE1 GLU A 42 -10.169 1.382 -4.203 1.00 0.00 O ATOM 704 OE2 GLU A 42 -11.933 2.360 -3.329 1.00 0.00 O ATOM 0 H GLU A 42 -7.371 4.280 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.210 6.032 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.140 4.525 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.650 3.609 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.034 3.189 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.456 4.213 -2.619 1.00 0.00 H new ATOM 711 N GLU A 43 -9.705 6.255 -2.052 1.00 0.00 N ATOM 712 CA GLU A 43 -10.573 7.100 -1.240 1.00 0.00 C ATOM 713 C GLU A 43 -10.123 8.557 -1.297 1.00 0.00 C ATOM 714 O GLU A 43 -10.937 9.464 -1.468 1.00 0.00 O ATOM 715 CB GLU A 43 -10.583 6.614 0.210 1.00 0.00 C ATOM 716 CG GLU A 43 -11.888 6.895 0.937 1.00 0.00 C ATOM 717 CD GLU A 43 -13.065 6.157 0.330 1.00 0.00 C ATOM 718 OE1 GLU A 43 -13.540 6.582 -0.744 1.00 0.00 O ATOM 719 OE2 GLU A 43 -13.511 5.156 0.928 1.00 0.00 O ATOM 0 H GLU A 43 -9.295 5.466 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.583 7.034 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.392 5.541 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.766 7.092 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.785 6.609 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.087 7.967 0.918 1.00 0.00 H new ATOM 726 N HIS A 44 -8.819 8.773 -1.151 1.00 0.00 N ATOM 727 CA HIS A 44 -8.259 10.119 -1.186 1.00 0.00 C ATOM 728 C HIS A 44 -7.508 10.362 -2.491 1.00 0.00 C ATOM 729 O HIS A 44 -6.408 10.914 -2.492 1.00 0.00 O ATOM 730 CB HIS A 44 -7.322 10.335 0.003 1.00 0.00 C ATOM 731 CG HIS A 44 -8.033 10.410 1.320 1.00 0.00 C ATOM 732 ND1 HIS A 44 -7.613 11.217 2.356 1.00 0.00 N ATOM 733 CD2 HIS A 44 -9.142 9.774 1.765 1.00 0.00 C ATOM 734 CE1 HIS A 44 -8.432 11.072 3.383 1.00 0.00 C ATOM 735 NE2 HIS A 44 -9.369 10.203 3.049 1.00 0.00 N ATOM 0 H HIS A 44 -8.131 8.033 -1.007 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.083 10.830 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.597 9.522 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.760 11.256 -0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.737 9.062 1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.349 11.578 4.334 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.137 9.900 3.648 1.00 0.00 H new ATOM 743 N ALA A 45 -8.109 9.945 -3.601 1.00 0.00 N ATOM 744 CA ALA A 45 -7.497 10.118 -4.912 1.00 0.00 C ATOM 745 C ALA A 45 -7.552 11.576 -5.355 1.00 0.00 C ATOM 746 O ALA A 45 -8.429 11.967 -6.124 1.00 0.00 O ATOM 747 CB ALA A 45 -8.184 9.227 -5.937 1.00 0.00 C ATOM 0 H ALA A 45 -9.019 9.485 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.449 9.827 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.717 9.367 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.089 8.184 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.240 9.491 -6.000 1.00 0.00 H new ATOM 753 N GLU A 46 -6.610 12.375 -4.864 1.00 0.00 N ATOM 754 CA GLU A 46 -6.554 13.791 -5.210 1.00 0.00 C ATOM 755 C GLU A 46 -5.679 14.016 -6.440 1.00 0.00 C ATOM 756 O GLU A 46 -4.681 13.324 -6.641 1.00 0.00 O ATOM 757 CB GLU A 46 -6.015 14.605 -4.031 1.00 0.00 C ATOM 758 CG GLU A 46 -7.058 14.895 -2.965 1.00 0.00 C ATOM 759 CD GLU A 46 -6.459 15.515 -1.717 1.00 0.00 C ATOM 760 OE1 GLU A 46 -5.489 14.944 -1.177 1.00 0.00 O ATOM 761 OE2 GLU A 46 -6.962 16.572 -1.282 1.00 0.00 O ATOM 0 H GLU A 46 -5.876 12.067 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.566 14.124 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.184 14.065 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.616 15.549 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.813 15.567 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.567 13.969 -2.698 1.00 0.00 H new ATOM 768 N SER A 47 -6.062 14.989 -7.260 1.00 0.00 N ATOM 769 CA SER A 47 -5.316 15.304 -8.473 1.00 0.00 C ATOM 770 C SER A 47 -4.755 14.036 -9.110 1.00 0.00 C ATOM 771 O SER A 47 -3.612 14.009 -9.565 1.00 0.00 O ATOM 772 CB SER A 47 -4.178 16.277 -8.160 1.00 0.00 C ATOM 773 OG SER A 47 -3.333 15.763 -7.145 1.00 0.00 O ATOM 0 H SER A 47 -6.884 15.573 -7.107 1.00 0.00 H new ATOM 0 HA SER A 47 -6.001 15.773 -9.179 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.596 16.463 -9.063 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.591 17.235 -7.844 1.00 0.00 H new ATOM 0 HG SER A 47 -2.613 16.402 -6.964 1.00 0.00 H new ATOM 779 N GLY A 48 -5.570 12.986 -9.140 1.00 0.00 N ATOM 780 CA GLY A 48 -5.139 11.729 -9.723 1.00 0.00 C ATOM 781 C GLY A 48 -5.170 11.751 -11.238 1.00 0.00 C ATOM 782 O GLY A 48 -5.152 12.811 -11.865 1.00 0.00 O ATOM 0 H GLY A 48 -6.521 12.984 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.127 11.504 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.781 10.926 -9.361 1.00 0.00 H new ATOM 786 N PRO A 49 -5.216 10.559 -11.851 1.00 0.00 N ATOM 787 CA PRO A 49 -5.250 10.419 -13.310 1.00 0.00 C ATOM 788 C PRO A 49 -6.573 10.888 -13.907 1.00 0.00 C ATOM 789 O PRO A 49 -7.562 10.156 -13.897 1.00 0.00 O ATOM 790 CB PRO A 49 -5.068 8.915 -13.526 1.00 0.00 C ATOM 791 CG PRO A 49 -5.568 8.288 -12.271 1.00 0.00 C ATOM 792 CD PRO A 49 -5.241 9.255 -11.166 1.00 0.00 C ATOM 0 HA PRO A 49 -4.488 11.028 -13.796 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.631 8.569 -14.393 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.022 8.664 -13.704 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.641 8.107 -12.326 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.090 7.323 -12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.991 9.231 -10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.281 9.026 -10.702 1.00 0.00 H new ATOM 800 N SER A 50 -6.582 12.111 -14.426 1.00 0.00 N ATOM 801 CA SER A 50 -7.785 12.678 -15.025 1.00 0.00 C ATOM 802 C SER A 50 -7.484 13.256 -16.404 1.00 0.00 C ATOM 803 O SER A 50 -6.445 13.882 -16.614 1.00 0.00 O ATOM 804 CB SER A 50 -8.367 13.766 -14.119 1.00 0.00 C ATOM 805 OG SER A 50 -9.056 13.198 -13.019 1.00 0.00 O ATOM 0 H SER A 50 -5.770 12.729 -14.444 1.00 0.00 H new ATOM 0 HA SER A 50 -8.517 11.878 -15.137 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.565 14.410 -13.757 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.047 14.396 -14.692 1.00 0.00 H new ATOM 0 HG SER A 50 -9.417 13.913 -12.454 1.00 0.00 H new ATOM 811 N SER A 51 -8.401 13.042 -17.342 1.00 0.00 N ATOM 812 CA SER A 51 -8.234 13.537 -18.703 1.00 0.00 C ATOM 813 C SER A 51 -8.950 14.872 -18.887 1.00 0.00 C ATOM 814 O SER A 51 -8.408 15.803 -19.480 1.00 0.00 O ATOM 815 CB SER A 51 -8.768 12.516 -19.709 1.00 0.00 C ATOM 816 OG SER A 51 -7.944 11.364 -19.752 1.00 0.00 O ATOM 0 H SER A 51 -9.268 12.529 -17.184 1.00 0.00 H new ATOM 0 HA SER A 51 -7.169 13.688 -18.880 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.784 12.230 -19.437 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.818 12.968 -20.699 1.00 0.00 H new ATOM 0 HG SER A 51 -8.307 10.726 -20.401 1.00 0.00 H new ATOM 822 N GLY A 52 -10.174 14.956 -18.373 1.00 0.00 N ATOM 823 CA GLY A 52 -10.946 16.179 -18.491 1.00 0.00 C ATOM 824 C GLY A 52 -11.861 16.173 -19.699 1.00 0.00 C ATOM 825 O GLY A 52 -12.004 15.153 -20.373 1.00 0.00 O ATOM 0 H GLY A 52 -10.644 14.199 -17.877 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.542 16.317 -17.589 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.267 17.029 -18.558 1.00 0.00 H new TER 829 GLY A 52