USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 572 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 7 THR OG1 : rot 148:sc= 0.929 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.00051) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.18 (180deg=1.05) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -62:sc= 0.88 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00051 USER MOD Single : A 25 ASN : amide:sc= -2.65 K(o=-2.6,f=-7.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.657 K(o=-0.66,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.0933 K(o=0.093,f=-6.3!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0728 X(o=-0.073,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.4) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 54:sc= -0.0507 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 9.358 -8.924 -1.834 1.00 0.00 N ATOM 19 CA GLN A 2 7.973 -8.511 -1.976 1.00 0.00 C ATOM 20 C GLN A 2 7.489 -7.925 -0.656 1.00 0.00 C ATOM 21 O GLN A 2 8.177 -8.028 0.356 1.00 0.00 O ATOM 22 CB GLN A 2 7.125 -9.727 -2.351 1.00 0.00 C ATOM 23 CG GLN A 2 7.382 -10.133 -3.800 1.00 0.00 C ATOM 24 CD GLN A 2 6.634 -11.415 -4.144 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.864 -12.455 -3.531 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.726 -11.338 -5.117 1.00 0.00 N ATOM 0 HA GLN A 2 7.885 -7.756 -2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.359 -10.559 -1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.068 -9.497 -2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.066 -9.332 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.451 -10.277 -3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.569 -10.453 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.189 -12.164 -5.380 1.00 0.00 H new ATOM 35 N ILE A 3 6.263 -7.396 -0.645 1.00 0.00 N ATOM 36 CA ILE A 3 5.639 -6.935 0.583 1.00 0.00 C ATOM 37 C ILE A 3 4.232 -7.512 0.671 1.00 0.00 C ATOM 38 O ILE A 3 3.770 -8.163 -0.265 1.00 0.00 O ATOM 39 CB ILE A 3 5.617 -5.405 0.629 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.704 -4.863 -0.472 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.038 -4.870 0.458 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.602 -3.341 -0.379 1.00 0.00 C ATOM 0 H ILE A 3 5.687 -7.279 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 3 6.215 -7.279 1.442 1.00 0.00 H new ATOM 0 HB ILE A 3 5.229 -5.075 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.093 -5.149 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.712 -5.306 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.023 -3.781 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.669 -5.249 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.438 -5.199 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.949 -2.971 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.191 -3.062 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.593 -2.902 -0.493 1.00 0.00 H new ATOM 54 N PHE A 4 3.542 -7.261 1.785 1.00 0.00 N ATOM 55 CA PHE A 4 2.206 -7.785 1.989 1.00 0.00 C ATOM 56 C PHE A 4 1.286 -6.679 2.484 1.00 0.00 C ATOM 57 O PHE A 4 1.432 -6.199 3.606 1.00 0.00 O ATOM 58 CB PHE A 4 2.255 -8.941 2.984 1.00 0.00 C ATOM 59 CG PHE A 4 2.973 -10.160 2.456 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.261 -11.135 1.746 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.347 -10.321 2.680 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.921 -12.270 1.261 1.00 0.00 C ATOM 63 CE2 PHE A 4 5.007 -11.456 2.192 1.00 0.00 C ATOM 64 CZ PHE A 4 4.293 -12.430 1.483 1.00 0.00 C ATOM 0 H PHE A 4 3.895 -6.696 2.557 1.00 0.00 H new ATOM 0 HA PHE A 4 1.812 -8.159 1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.749 -8.605 3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.237 -9.219 3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.202 -11.011 1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.897 -9.570 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.371 -13.022 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.066 -11.580 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.802 -13.305 1.107 1.00 0.00 H new ATOM 74 N VAL A 5 0.328 -6.286 1.643 1.00 0.00 N ATOM 75 CA VAL A 5 -0.635 -5.257 1.979 1.00 0.00 C ATOM 76 C VAL A 5 -1.900 -5.916 2.509 1.00 0.00 C ATOM 77 O VAL A 5 -2.507 -6.735 1.823 1.00 0.00 O ATOM 78 CB VAL A 5 -0.940 -4.432 0.728 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.059 -3.435 1.021 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.314 -3.674 0.297 1.00 0.00 C ATOM 0 H VAL A 5 0.205 -6.678 0.710 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.234 -4.596 2.747 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.256 -5.102 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.270 -2.851 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.957 -3.974 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.750 -2.767 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.096 -3.086 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.632 -3.010 1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.111 -4.384 0.077 1.00 0.00 H new ATOM 90 N LYS A 6 -2.306 -5.547 3.726 1.00 0.00 N ATOM 91 CA LYS A 6 -3.487 -6.120 4.339 1.00 0.00 C ATOM 92 C LYS A 6 -4.619 -5.102 4.313 1.00 0.00 C ATOM 93 O LYS A 6 -4.550 -4.077 4.989 1.00 0.00 O ATOM 94 CB LYS A 6 -3.157 -6.547 5.770 1.00 0.00 C ATOM 95 CG LYS A 6 -4.315 -7.357 6.345 1.00 0.00 C ATOM 96 CD LYS A 6 -3.938 -7.905 7.718 1.00 0.00 C ATOM 97 CE LYS A 6 -5.097 -8.738 8.259 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.765 -9.317 9.570 1.00 0.00 N ATOM 0 H LYS A 6 -1.828 -4.853 4.300 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.810 -7.000 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.244 -7.142 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.973 -5.669 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.203 -6.730 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.564 -8.178 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.038 -8.516 7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.713 -7.086 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.987 -8.115 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.335 -9.536 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.569 -9.878 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.930 -9.930 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.561 -8.553 10.245 1.00 0.00 H new ATOM 112 N THR A 7 -5.645 -5.368 3.501 1.00 0.00 N ATOM 113 CA THR A 7 -6.785 -4.478 3.378 1.00 0.00 C ATOM 114 C THR A 7 -7.638 -4.546 4.638 1.00 0.00 C ATOM 115 O THR A 7 -7.372 -5.348 5.531 1.00 0.00 O ATOM 116 CB THR A 7 -7.619 -4.889 2.167 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.138 -6.180 2.388 1.00 0.00 O ATOM 118 CG2 THR A 7 -6.757 -4.894 0.907 1.00 0.00 C ATOM 0 H THR A 7 -5.702 -6.202 2.917 1.00 0.00 H new ATOM 0 HA THR A 7 -6.431 -3.455 3.247 1.00 0.00 H new ATOM 0 HB THR A 7 -8.432 -4.176 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.009 -6.262 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.365 -5.189 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.353 -3.896 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.937 -5.601 1.030 1.00 0.00 H new ATOM 126 N ALA A 8 -8.683 -3.717 4.699 1.00 0.00 N ATOM 127 CA ALA A 8 -9.628 -3.757 5.798 1.00 0.00 C ATOM 128 C ALA A 8 -10.655 -4.862 5.561 1.00 0.00 C ATOM 129 O ALA A 8 -11.500 -5.113 6.417 1.00 0.00 O ATOM 130 CB ALA A 8 -10.323 -2.403 5.915 1.00 0.00 C ATOM 0 H ALA A 8 -8.889 -3.010 3.993 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.099 -3.969 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.034 -2.429 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.580 -1.627 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.852 -2.184 4.987 1.00 0.00 H new ATOM 136 N THR A 9 -10.600 -5.501 4.387 1.00 0.00 N ATOM 137 CA THR A 9 -11.560 -6.528 4.018 1.00 0.00 C ATOM 138 C THR A 9 -11.008 -7.919 4.315 1.00 0.00 C ATOM 139 O THR A 9 -11.690 -8.915 4.086 1.00 0.00 O ATOM 140 CB THR A 9 -11.909 -6.388 2.536 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.742 -6.497 1.751 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.552 -5.025 2.295 1.00 0.00 C ATOM 0 H THR A 9 -9.892 -5.317 3.676 1.00 0.00 H new ATOM 0 HA THR A 9 -12.465 -6.399 4.612 1.00 0.00 H new ATOM 0 HB THR A 9 -12.603 -7.181 2.257 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.976 -6.407 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.802 -4.922 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.460 -4.940 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.854 -4.238 2.581 1.00 0.00 H new ATOM 150 N GLY A 10 -9.776 -7.991 4.826 1.00 0.00 N ATOM 151 CA GLY A 10 -9.170 -9.258 5.191 1.00 0.00 C ATOM 152 C GLY A 10 -8.341 -9.827 4.043 1.00 0.00 C ATOM 153 O GLY A 10 -7.714 -10.873 4.200 1.00 0.00 O ATOM 0 H GLY A 10 -9.183 -7.178 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.536 -9.121 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.948 -9.969 5.468 1.00 0.00 H new ATOM 157 N LYS A 11 -8.344 -9.156 2.887 1.00 0.00 N ATOM 158 CA LYS A 11 -7.551 -9.599 1.753 1.00 0.00 C ATOM 159 C LYS A 11 -6.075 -9.319 1.995 1.00 0.00 C ATOM 160 O LYS A 11 -5.653 -8.165 1.970 1.00 0.00 O ATOM 161 CB LYS A 11 -7.984 -8.874 0.478 1.00 0.00 C ATOM 162 CG LYS A 11 -9.351 -9.349 -0.006 1.00 0.00 C ATOM 163 CD LYS A 11 -9.583 -8.765 -1.399 1.00 0.00 C ATOM 164 CE LYS A 11 -10.887 -9.292 -1.989 1.00 0.00 C ATOM 165 NZ LYS A 11 -11.064 -8.820 -3.373 1.00 0.00 N ATOM 0 H LYS A 11 -8.887 -8.309 2.719 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.708 -10.671 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.017 -7.800 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.243 -9.040 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.388 -10.438 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.133 -9.023 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.616 -7.677 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.750 -9.025 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.886 -10.382 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.727 -8.963 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.042 -9.000 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.869 -7.800 -3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.407 -9.327 -3.999 1.00 0.00 H new ATOM 179 N THR A 12 -5.282 -10.377 2.176 1.00 0.00 N ATOM 180 CA THR A 12 -3.840 -10.241 2.168 1.00 0.00 C ATOM 181 C THR A 12 -3.399 -10.135 0.713 1.00 0.00 C ATOM 182 O THR A 12 -3.851 -10.917 -0.122 1.00 0.00 O ATOM 183 CB THR A 12 -3.204 -11.457 2.841 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.840 -11.702 4.076 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.717 -11.198 3.073 1.00 0.00 C ATOM 0 H THR A 12 -5.619 -11.328 2.328 1.00 0.00 H new ATOM 0 HA THR A 12 -3.526 -9.354 2.718 1.00 0.00 H new ATOM 0 HB THR A 12 -3.321 -12.327 2.195 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.432 -12.483 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.267 -12.067 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.226 -11.016 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.595 -10.325 3.715 1.00 0.00 H new ATOM 193 N ILE A 13 -2.561 -9.147 0.392 1.00 0.00 N ATOM 194 CA ILE A 13 -2.159 -8.920 -0.985 1.00 0.00 C ATOM 195 C ILE A 13 -0.643 -8.838 -1.102 1.00 0.00 C ATOM 196 O ILE A 13 -0.038 -7.854 -0.682 1.00 0.00 O ATOM 197 CB ILE A 13 -2.819 -7.646 -1.515 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.330 -7.706 -1.274 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.529 -7.511 -3.011 1.00 0.00 C ATOM 200 CD1 ILE A 13 -4.997 -6.417 -1.751 1.00 0.00 C ATOM 0 H ILE A 13 -2.154 -8.499 1.066 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.491 -9.763 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.415 -6.780 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.755 -8.560 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.530 -7.855 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.998 -6.604 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.452 -7.457 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.930 -8.376 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.071 -6.475 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.584 -5.570 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.813 -6.285 -2.817 1.00 0.00 H new ATOM 212 N THR A 14 -0.038 -9.860 -1.710 1.00 0.00 N ATOM 213 CA THR A 14 1.384 -9.857 -1.991 1.00 0.00 C ATOM 214 C THR A 14 1.656 -8.821 -3.073 1.00 0.00 C ATOM 215 O THR A 14 1.090 -8.905 -4.163 1.00 0.00 O ATOM 216 CB THR A 14 1.808 -11.248 -2.459 1.00 0.00 C ATOM 217 OG1 THR A 14 1.360 -12.216 -1.536 1.00 0.00 O ATOM 218 CG2 THR A 14 3.329 -11.315 -2.568 1.00 0.00 C ATOM 0 H THR A 14 -0.523 -10.704 -2.016 1.00 0.00 H new ATOM 0 HA THR A 14 1.954 -9.605 -1.097 1.00 0.00 H new ATOM 0 HB THR A 14 1.367 -11.446 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.780 -12.057 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.626 -12.309 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.675 -10.572 -3.286 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.773 -11.112 -1.593 1.00 0.00 H new ATOM 226 N LEU A 15 2.467 -7.808 -2.759 1.00 0.00 N ATOM 227 CA LEU A 15 2.725 -6.729 -3.694 1.00 0.00 C ATOM 228 C LEU A 15 4.215 -6.612 -3.987 1.00 0.00 C ATOM 229 O LEU A 15 5.047 -6.909 -3.133 1.00 0.00 O ATOM 230 CB LEU A 15 2.181 -5.424 -3.109 1.00 0.00 C ATOM 231 CG LEU A 15 1.885 -4.412 -4.216 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.696 -4.882 -5.050 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.550 -3.064 -3.584 1.00 0.00 C ATOM 0 H LEU A 15 2.951 -7.719 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 15 2.222 -6.939 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.272 -5.626 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.905 -5.004 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 15 2.760 -4.318 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.493 -4.155 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.926 -5.848 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.181 -4.980 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.338 -2.337 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.676 -3.171 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.397 -2.720 -2.990 1.00 0.00 H new ATOM 245 N GLU A 16 4.545 -6.143 -5.192 1.00 0.00 N ATOM 246 CA GLU A 16 5.918 -5.904 -5.592 1.00 0.00 C ATOM 247 C GLU A 16 5.990 -4.580 -6.340 1.00 0.00 C ATOM 248 O GLU A 16 5.421 -4.452 -7.422 1.00 0.00 O ATOM 249 CB GLU A 16 6.412 -7.059 -6.458 1.00 0.00 C ATOM 250 CG GLU A 16 7.897 -6.862 -6.758 1.00 0.00 C ATOM 251 CD GLU A 16 8.468 -8.043 -7.534 1.00 0.00 C ATOM 252 OE1 GLU A 16 7.660 -8.909 -7.935 1.00 0.00 O ATOM 253 OE2 GLU A 16 9.706 -8.060 -7.705 1.00 0.00 O ATOM 0 H GLU A 16 3.860 -5.920 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 16 6.563 -5.846 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.255 -8.007 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.844 -7.102 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.036 -5.946 -7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.445 -6.739 -5.824 1.00 0.00 H new ATOM 260 N VAL A 17 6.667 -3.587 -5.759 1.00 0.00 N ATOM 261 CA VAL A 17 6.739 -2.271 -6.375 1.00 0.00 C ATOM 262 C VAL A 17 8.188 -1.872 -6.624 1.00 0.00 C ATOM 263 O VAL A 17 9.103 -2.420 -6.012 1.00 0.00 O ATOM 264 CB VAL A 17 6.046 -1.243 -5.477 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.576 -1.611 -5.297 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.726 -1.187 -4.110 1.00 0.00 C ATOM 0 H VAL A 17 7.166 -3.672 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 17 6.229 -2.304 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 17 6.119 -0.265 -5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.092 -0.874 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.083 -1.627 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.501 -2.596 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.222 -0.452 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.671 -2.167 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.771 -0.902 -4.235 1.00 0.00 H new ATOM 276 N GLU A 18 8.385 -0.866 -7.481 1.00 0.00 N ATOM 277 CA GLU A 18 9.704 -0.336 -7.770 1.00 0.00 C ATOM 278 C GLU A 18 10.113 0.605 -6.641 1.00 0.00 C ATOM 279 O GLU A 18 9.278 1.346 -6.125 1.00 0.00 O ATOM 280 CB GLU A 18 9.669 0.410 -9.103 1.00 0.00 C ATOM 281 CG GLU A 18 9.548 -0.575 -10.268 1.00 0.00 C ATOM 282 CD GLU A 18 8.275 -1.409 -10.180 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.399 -2.646 -10.314 1.00 0.00 O ATOM 284 OE2 GLU A 18 7.199 -0.797 -10.005 1.00 0.00 O ATOM 0 H GLU A 18 7.631 -0.403 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 18 10.431 -1.145 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.827 1.103 -9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.574 1.006 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.557 -0.026 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.415 -1.236 -10.276 1.00 0.00 H new ATOM 291 N PRO A 19 11.404 0.626 -6.291 1.00 0.00 N ATOM 292 CA PRO A 19 11.907 1.384 -5.164 1.00 0.00 C ATOM 293 C PRO A 19 11.709 2.891 -5.318 1.00 0.00 C ATOM 294 O PRO A 19 11.263 3.551 -4.381 1.00 0.00 O ATOM 295 CB PRO A 19 13.398 1.052 -5.076 1.00 0.00 C ATOM 296 CG PRO A 19 13.544 -0.273 -5.822 1.00 0.00 C ATOM 297 CD PRO A 19 12.412 -0.253 -6.844 1.00 0.00 C ATOM 0 HA PRO A 19 11.360 1.113 -4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.005 1.833 -5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.723 0.961 -4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.517 -0.352 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.455 -1.123 -5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.762 0.111 -7.810 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.013 -1.254 -7.006 1.00 0.00 H new ATOM 305 N SER A 20 12.058 3.441 -6.483 1.00 0.00 N ATOM 306 CA SER A 20 12.076 4.883 -6.675 1.00 0.00 C ATOM 307 C SER A 20 10.756 5.392 -7.241 1.00 0.00 C ATOM 308 O SER A 20 10.686 6.528 -7.705 1.00 0.00 O ATOM 309 CB SER A 20 13.221 5.246 -7.618 1.00 0.00 C ATOM 310 OG SER A 20 14.434 4.734 -7.111 1.00 0.00 O ATOM 0 H SER A 20 12.332 2.904 -7.306 1.00 0.00 H new ATOM 0 HA SER A 20 12.222 5.358 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.030 4.839 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.288 6.329 -7.724 1.00 0.00 H new ATOM 0 HG SER A 20 15.167 4.967 -7.719 1.00 0.00 H new ATOM 316 N ASP A 21 9.736 4.535 -7.285 1.00 0.00 N ATOM 317 CA ASP A 21 8.465 4.912 -7.879 1.00 0.00 C ATOM 318 C ASP A 21 7.568 5.572 -6.836 1.00 0.00 C ATOM 319 O ASP A 21 6.449 5.970 -7.152 1.00 0.00 O ATOM 320 CB ASP A 21 7.788 3.684 -8.478 1.00 0.00 C ATOM 321 CG ASP A 21 8.290 3.411 -9.890 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.531 2.766 -10.645 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.400 3.892 -10.208 1.00 0.00 O ATOM 0 H ASP A 21 9.769 3.584 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 21 8.644 5.633 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.980 2.816 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.708 3.833 -8.496 1.00 0.00 H new ATOM 328 N THR A 22 8.066 5.696 -5.601 1.00 0.00 N ATOM 329 CA THR A 22 7.374 6.394 -4.529 1.00 0.00 C ATOM 330 C THR A 22 6.245 5.536 -3.963 1.00 0.00 C ATOM 331 O THR A 22 5.792 4.591 -4.606 1.00 0.00 O ATOM 332 CB THR A 22 6.853 7.740 -5.047 1.00 0.00 C ATOM 333 OG1 THR A 22 7.894 8.415 -5.720 1.00 0.00 O ATOM 334 CG2 THR A 22 6.371 8.611 -3.891 1.00 0.00 C ATOM 0 H THR A 22 8.968 5.309 -5.322 1.00 0.00 H new ATOM 0 HA THR A 22 8.072 6.584 -3.714 1.00 0.00 H new ATOM 0 HB THR A 22 6.020 7.552 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.564 9.275 -6.054 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.005 9.562 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.566 8.101 -3.362 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.197 8.794 -3.204 1.00 0.00 H new ATOM 342 N ILE A 23 5.784 5.884 -2.758 1.00 0.00 N ATOM 343 CA ILE A 23 4.689 5.197 -2.094 1.00 0.00 C ATOM 344 C ILE A 23 3.468 5.134 -3.004 1.00 0.00 C ATOM 345 O ILE A 23 2.664 4.211 -2.892 1.00 0.00 O ATOM 346 CB ILE A 23 4.356 5.935 -0.791 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.497 5.776 0.220 1.00 0.00 C ATOM 348 CG2 ILE A 23 3.055 5.399 -0.193 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.586 4.339 0.732 1.00 0.00 C ATOM 0 H ILE A 23 6.169 6.658 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 23 4.986 4.174 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 23 4.231 6.994 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.441 6.058 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.340 6.455 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.832 5.933 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.241 5.546 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.163 4.335 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.404 4.258 1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.650 4.068 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.767 3.665 -0.105 1.00 0.00 H new ATOM 361 N GLU A 24 3.315 6.114 -3.896 1.00 0.00 N ATOM 362 CA GLU A 24 2.172 6.146 -4.789 1.00 0.00 C ATOM 363 C GLU A 24 2.098 4.858 -5.601 1.00 0.00 C ATOM 364 O GLU A 24 1.009 4.410 -5.952 1.00 0.00 O ATOM 365 CB GLU A 24 2.268 7.366 -5.703 1.00 0.00 C ATOM 366 CG GLU A 24 1.022 7.441 -6.583 1.00 0.00 C ATOM 367 CD GLU A 24 0.993 8.740 -7.375 1.00 0.00 C ATOM 368 OE1 GLU A 24 0.518 9.744 -6.801 1.00 0.00 O ATOM 369 OE2 GLU A 24 1.486 8.718 -8.523 1.00 0.00 O ATOM 0 H GLU A 24 3.968 6.889 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 24 1.257 6.224 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.361 8.274 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.161 7.299 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.004 6.593 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.129 7.369 -5.962 1.00 0.00 H new ATOM 376 N ASN A 25 3.251 4.240 -5.870 1.00 0.00 N ATOM 377 CA ASN A 25 3.292 3.021 -6.654 1.00 0.00 C ATOM 378 C ASN A 25 2.602 1.890 -5.902 1.00 0.00 C ATOM 379 O ASN A 25 1.990 1.018 -6.515 1.00 0.00 O ATOM 380 CB ASN A 25 4.746 2.658 -6.942 1.00 0.00 C ATOM 381 CG ASN A 25 4.847 1.577 -8.011 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.844 1.185 -8.601 1.00 0.00 O ATOM 383 ND2 ASN A 25 6.066 1.101 -8.266 1.00 0.00 N ATOM 0 H ASN A 25 4.163 4.570 -5.553 1.00 0.00 H new ATOM 0 HA ASN A 25 2.767 3.176 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.287 3.546 -7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.225 2.312 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.194 0.381 -8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.871 1.457 -7.750 1.00 0.00 H new ATOM 390 N VAL A 26 2.651 1.930 -4.569 1.00 0.00 N ATOM 391 CA VAL A 26 2.003 0.915 -3.764 1.00 0.00 C ATOM 392 C VAL A 26 0.497 1.010 -3.964 1.00 0.00 C ATOM 393 O VAL A 26 -0.193 -0.007 -3.975 1.00 0.00 O ATOM 394 CB VAL A 26 2.375 1.115 -2.293 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.708 0.043 -1.433 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.891 1.020 -2.125 1.00 0.00 C ATOM 0 H VAL A 26 3.132 2.654 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 26 2.335 -0.078 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 26 2.031 2.100 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.979 0.194 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.626 0.112 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.043 -0.943 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.151 1.163 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.233 0.038 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.373 1.791 -2.726 1.00 0.00 H new ATOM 406 N LYS A 27 -0.003 2.227 -4.193 1.00 0.00 N ATOM 407 CA LYS A 27 -1.416 2.436 -4.450 1.00 0.00 C ATOM 408 C LYS A 27 -1.733 2.146 -5.912 1.00 0.00 C ATOM 409 O LYS A 27 -2.853 1.758 -6.238 1.00 0.00 O ATOM 410 CB LYS A 27 -1.786 3.882 -4.116 1.00 0.00 C ATOM 411 CG LYS A 27 -1.525 4.158 -2.636 1.00 0.00 C ATOM 412 CD LYS A 27 -1.985 5.569 -2.270 1.00 0.00 C ATOM 413 CE LYS A 27 -1.142 6.606 -3.011 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.528 7.975 -2.630 1.00 0.00 N ATOM 0 H LYS A 27 0.557 3.079 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.997 1.758 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.202 4.567 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.836 4.061 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.052 3.426 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.462 4.047 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.037 5.694 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.898 5.720 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.087 6.447 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.264 6.477 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.940 8.658 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.529 8.132 -2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.388 8.103 -1.607 1.00 0.00 H new ATOM 428 N ALA A 28 -0.751 2.343 -6.796 1.00 0.00 N ATOM 429 CA ALA A 28 -0.970 2.204 -8.223 1.00 0.00 C ATOM 430 C ALA A 28 -1.094 0.739 -8.622 1.00 0.00 C ATOM 431 O ALA A 28 -1.884 0.407 -9.502 1.00 0.00 O ATOM 432 CB ALA A 28 0.191 2.853 -8.973 1.00 0.00 C ATOM 0 H ALA A 28 0.202 2.599 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.905 2.701 -8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.032 2.752 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.247 3.910 -8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.123 2.361 -8.696 1.00 0.00 H new ATOM 438 N LYS A 29 -0.334 -0.147 -7.973 1.00 0.00 N ATOM 439 CA LYS A 29 -0.372 -1.555 -8.328 1.00 0.00 C ATOM 440 C LYS A 29 -1.626 -2.207 -7.757 1.00 0.00 C ATOM 441 O LYS A 29 -2.059 -3.248 -8.247 1.00 0.00 O ATOM 442 CB LYS A 29 0.877 -2.257 -7.798 1.00 0.00 C ATOM 443 CG LYS A 29 2.143 -1.653 -8.410 1.00 0.00 C ATOM 444 CD LYS A 29 2.217 -1.937 -9.909 1.00 0.00 C ATOM 445 CE LYS A 29 3.513 -1.346 -10.463 1.00 0.00 C ATOM 446 NZ LYS A 29 3.629 -1.579 -11.911 1.00 0.00 N ATOM 0 H LYS A 29 0.303 0.087 -7.212 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.396 -1.647 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.915 -2.169 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.828 -3.321 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.156 -0.577 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.022 -2.064 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.185 -3.011 -10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.357 -1.502 -10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.543 -0.275 -10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.366 -1.791 -9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.518 -1.167 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.624 -2.602 -12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.826 -1.133 -12.400 1.00 0.00 H new ATOM 460 N ILE A 30 -2.230 -1.582 -6.744 1.00 0.00 N ATOM 461 CA ILE A 30 -3.444 -2.106 -6.148 1.00 0.00 C ATOM 462 C ILE A 30 -4.646 -1.648 -6.964 1.00 0.00 C ATOM 463 O ILE A 30 -5.684 -2.307 -6.958 1.00 0.00 O ATOM 464 CB ILE A 30 -3.545 -1.625 -4.697 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.400 -2.238 -3.887 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.884 -2.054 -4.096 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.344 -1.620 -2.491 1.00 0.00 C ATOM 0 H ILE A 30 -1.893 -0.715 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.424 -3.196 -6.149 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.478 -0.537 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.538 -3.316 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.453 -2.074 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.947 -1.708 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.699 -1.619 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.962 -3.141 -4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.525 -2.067 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.183 -0.545 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.284 -1.807 -1.973 1.00 0.00 H new ATOM 479 N GLN A 31 -4.484 -0.565 -7.729 1.00 0.00 N ATOM 480 CA GLN A 31 -5.549 -0.072 -8.582 1.00 0.00 C ATOM 481 C GLN A 31 -5.881 -1.123 -9.638 1.00 0.00 C ATOM 482 O GLN A 31 -7.035 -1.266 -10.034 1.00 0.00 O ATOM 483 CB GLN A 31 -5.098 1.230 -9.244 1.00 0.00 C ATOM 484 CG GLN A 31 -6.211 1.800 -10.122 1.00 0.00 C ATOM 485 CD GLN A 31 -5.733 3.044 -10.861 1.00 0.00 C ATOM 486 OE1 GLN A 31 -6.131 4.159 -10.532 1.00 0.00 O ATOM 487 NE2 GLN A 31 -4.855 2.855 -11.848 1.00 0.00 N ATOM 0 H GLN A 31 -3.623 -0.019 -7.770 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.443 0.123 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.822 1.956 -8.480 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.208 1.049 -9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.536 1.047 -10.840 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.076 2.047 -9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.552 1.911 -12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.487 3.655 -12.363 1.00 0.00 H new ATOM 496 N ASP A 32 -4.861 -1.857 -10.093 1.00 0.00 N ATOM 497 CA ASP A 32 -5.026 -2.884 -11.107 1.00 0.00 C ATOM 498 C ASP A 32 -5.551 -4.177 -10.493 1.00 0.00 C ATOM 499 O ASP A 32 -6.226 -4.951 -11.168 1.00 0.00 O ATOM 500 CB ASP A 32 -3.676 -3.138 -11.778 1.00 0.00 C ATOM 501 CG ASP A 32 -3.787 -4.211 -12.854 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.356 -5.349 -12.569 1.00 0.00 O ATOM 503 OD2 ASP A 32 -4.228 -3.855 -13.969 1.00 0.00 O ATOM 0 H ASP A 32 -3.901 -1.750 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.752 -2.542 -11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.307 -2.213 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.947 -3.445 -11.028 1.00 0.00 H new ATOM 508 N LYS A 33 -5.237 -4.419 -9.216 1.00 0.00 N ATOM 509 CA LYS A 33 -5.559 -5.687 -8.585 1.00 0.00 C ATOM 510 C LYS A 33 -6.912 -5.629 -7.887 1.00 0.00 C ATOM 511 O LYS A 33 -7.784 -6.451 -8.161 1.00 0.00 O ATOM 512 CB LYS A 33 -4.455 -6.043 -7.591 1.00 0.00 C ATOM 513 CG LYS A 33 -4.620 -7.475 -7.082 1.00 0.00 C ATOM 514 CD LYS A 33 -4.435 -8.467 -8.231 1.00 0.00 C ATOM 515 CE LYS A 33 -4.421 -9.890 -7.679 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.245 -10.873 -8.760 1.00 0.00 N ATOM 0 H LYS A 33 -4.762 -3.752 -8.608 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.623 -6.458 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.481 -5.932 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.479 -5.349 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.891 -7.676 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.608 -7.600 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.242 -8.355 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.503 -8.261 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.615 -9.994 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.354 -10.088 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.239 -11.833 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.028 -10.786 -9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.343 -10.696 -9.247 1.00 0.00 H new ATOM 530 N GLU A 34 -7.080 -4.682 -6.961 1.00 0.00 N ATOM 531 CA GLU A 34 -8.311 -4.578 -6.200 1.00 0.00 C ATOM 532 C GLU A 34 -9.314 -3.717 -6.960 1.00 0.00 C ATOM 533 O GLU A 34 -10.511 -3.768 -6.688 1.00 0.00 O ATOM 534 CB GLU A 34 -7.996 -3.965 -4.836 1.00 0.00 C ATOM 535 CG GLU A 34 -9.146 -4.192 -3.855 1.00 0.00 C ATOM 536 CD GLU A 34 -9.419 -5.677 -3.651 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.596 -6.066 -3.815 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.477 -6.371 -3.212 1.00 0.00 O ATOM 0 H GLU A 34 -6.377 -3.982 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.749 -5.566 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.082 -4.405 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.814 -2.896 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.906 -3.730 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.046 -3.703 -4.228 1.00 0.00 H new ATOM 545 N GLY A 35 -8.829 -2.965 -7.952 1.00 0.00 N ATOM 546 CA GLY A 35 -9.684 -2.160 -8.804 1.00 0.00 C ATOM 547 C GLY A 35 -10.054 -0.839 -8.137 1.00 0.00 C ATOM 548 O GLY A 35 -10.696 0.002 -8.761 1.00 0.00 O ATOM 0 H GLY A 35 -7.837 -2.903 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.176 -1.962 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.591 -2.716 -9.040 1.00 0.00 H new ATOM 552 N ILE A 36 -9.674 -0.663 -6.868 1.00 0.00 N ATOM 553 CA ILE A 36 -10.007 0.536 -6.115 1.00 0.00 C ATOM 554 C ILE A 36 -9.126 1.704 -6.556 1.00 0.00 C ATOM 555 O ILE A 36 -7.912 1.661 -6.371 1.00 0.00 O ATOM 556 CB ILE A 36 -9.815 0.265 -4.623 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.693 -0.923 -4.220 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.209 1.510 -3.827 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.443 -1.309 -2.763 1.00 0.00 C ATOM 0 H ILE A 36 -9.130 -1.347 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.047 0.801 -6.305 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.772 0.030 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.744 -0.669 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.482 -1.774 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.073 1.319 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.581 2.348 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.254 1.751 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.077 -2.155 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.396 -1.585 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.677 -0.463 -2.117 1.00 0.00 H new ATOM 571 N PRO A 37 -9.740 2.775 -7.074 1.00 0.00 N ATOM 572 CA PRO A 37 -9.041 3.974 -7.494 1.00 0.00 C ATOM 573 C PRO A 37 -8.299 4.614 -6.321 1.00 0.00 C ATOM 574 O PRO A 37 -8.571 4.296 -5.165 1.00 0.00 O ATOM 575 CB PRO A 37 -10.118 4.921 -8.029 1.00 0.00 C ATOM 576 CG PRO A 37 -11.330 4.029 -8.303 1.00 0.00 C ATOM 577 CD PRO A 37 -11.159 2.856 -7.343 1.00 0.00 C ATOM 0 HA PRO A 37 -8.291 3.748 -8.252 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.356 5.698 -7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.785 5.424 -8.937 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.264 4.560 -8.120 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.351 3.694 -9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.723 3.016 -6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.527 1.931 -7.786 1.00 0.00 H new ATOM 585 N PRO A 38 -7.433 5.590 -6.615 1.00 0.00 N ATOM 586 CA PRO A 38 -6.673 6.320 -5.620 1.00 0.00 C ATOM 587 C PRO A 38 -7.593 7.087 -4.675 1.00 0.00 C ATOM 588 O PRO A 38 -8.773 7.269 -4.967 1.00 0.00 O ATOM 589 CB PRO A 38 -5.782 7.288 -6.402 1.00 0.00 C ATOM 590 CG PRO A 38 -5.754 6.734 -7.828 1.00 0.00 C ATOM 591 CD PRO A 38 -7.066 5.967 -7.960 1.00 0.00 C ATOM 0 HA PRO A 38 -6.087 5.642 -4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.184 8.301 -6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.780 7.334 -5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.685 7.535 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.895 6.082 -7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.838 6.586 -8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.944 5.089 -8.594 1.00 0.00 H new ATOM 599 N ASP A 39 -7.020 7.590 -3.575 1.00 0.00 N ATOM 600 CA ASP A 39 -7.705 8.419 -2.591 1.00 0.00 C ATOM 601 C ASP A 39 -8.697 7.613 -1.765 1.00 0.00 C ATOM 602 O ASP A 39 -8.754 7.768 -0.547 1.00 0.00 O ATOM 603 CB ASP A 39 -8.400 9.595 -3.273 1.00 0.00 C ATOM 604 CG ASP A 39 -8.870 10.603 -2.233 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.085 10.585 -1.937 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.984 11.245 -1.628 1.00 0.00 O ATOM 0 H ASP A 39 -6.041 7.424 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.951 8.807 -1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.716 10.075 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.250 9.237 -3.854 1.00 0.00 H new ATOM 611 N GLN A 40 -9.475 6.747 -2.416 1.00 0.00 N ATOM 612 CA GLN A 40 -10.441 5.929 -1.712 1.00 0.00 C ATOM 613 C GLN A 40 -9.707 4.963 -0.789 1.00 0.00 C ATOM 614 O GLN A 40 -10.303 4.406 0.131 1.00 0.00 O ATOM 615 CB GLN A 40 -11.312 5.183 -2.720 1.00 0.00 C ATOM 616 CG GLN A 40 -12.219 6.187 -3.431 1.00 0.00 C ATOM 617 CD GLN A 40 -13.105 5.496 -4.457 1.00 0.00 C ATOM 618 OE1 GLN A 40 -14.076 4.835 -4.097 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.791 5.677 -5.740 1.00 0.00 N ATOM 0 H GLN A 40 -9.449 6.600 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.092 6.557 -1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.687 4.661 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.911 4.427 -2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.840 6.703 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.611 6.946 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.975 6.234 -5.992 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.367 5.258 -6.470 1.00 0.00 H new ATOM 628 N GLN A 41 -8.405 4.781 -1.030 1.00 0.00 N ATOM 629 CA GLN A 41 -7.567 3.955 -0.186 1.00 0.00 C ATOM 630 C GLN A 41 -6.488 4.814 0.463 1.00 0.00 C ATOM 631 O GLN A 41 -6.104 5.844 -0.088 1.00 0.00 O ATOM 632 CB GLN A 41 -6.962 2.825 -1.020 1.00 0.00 C ATOM 633 CG GLN A 41 -5.995 3.393 -2.058 1.00 0.00 C ATOM 634 CD GLN A 41 -5.448 2.288 -2.952 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.571 1.531 -2.543 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.957 2.207 -4.182 1.00 0.00 N ATOM 0 H GLN A 41 -7.913 5.205 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.162 3.507 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.438 2.124 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.755 2.267 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.505 4.140 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.172 3.900 -1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.685 2.858 -4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.619 1.494 -4.828 1.00 0.00 H new ATOM 645 N ARG A 42 -5.943 4.350 1.592 1.00 0.00 N ATOM 646 CA ARG A 42 -4.894 5.067 2.296 1.00 0.00 C ATOM 647 C ARG A 42 -3.929 4.062 2.907 1.00 0.00 C ATOM 648 O ARG A 42 -4.351 3.033 3.431 1.00 0.00 O ATOM 649 CB ARG A 42 -5.517 5.954 3.372 1.00 0.00 C ATOM 650 CG ARG A 42 -6.161 7.172 2.710 1.00 0.00 C ATOM 651 CD ARG A 42 -6.838 8.054 3.757 1.00 0.00 C ATOM 652 NE ARG A 42 -7.975 7.368 4.377 1.00 0.00 N ATOM 653 CZ ARG A 42 -9.063 8.006 4.834 1.00 0.00 C ATOM 654 NH1 ARG A 42 -9.159 9.338 4.721 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.067 7.310 5.386 1.00 0.00 N ATOM 0 H ARG A 42 -6.219 3.473 2.035 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.343 5.705 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.264 5.394 3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.755 6.272 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.404 7.746 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.893 6.847 1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.115 8.331 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.179 8.979 3.291 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.937 6.353 4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.404 9.869 4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.987 9.821 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.004 6.295 5.459 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.894 7.796 5.733 1.00 0.00 H new ATOM 669 N LEU A 43 -2.632 4.372 2.855 1.00 0.00 N ATOM 670 CA LEU A 43 -1.594 3.449 3.276 1.00 0.00 C ATOM 671 C LEU A 43 -1.118 3.770 4.689 1.00 0.00 C ATOM 672 O LEU A 43 -1.225 4.907 5.145 1.00 0.00 O ATOM 673 CB LEU A 43 -0.419 3.560 2.304 1.00 0.00 C ATOM 674 CG LEU A 43 -0.700 2.776 1.023 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.391 3.081 0.003 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.702 1.277 1.309 1.00 0.00 C ATOM 0 H LEU A 43 -2.280 5.269 2.520 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.997 2.436 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.238 4.607 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.487 3.181 2.777 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.676 3.068 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.197 2.525 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.397 4.149 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.360 2.787 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.903 0.731 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.271 0.980 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.475 1.048 2.043 1.00 0.00 H new ATOM 688 N ALA A 44 -0.549 2.762 5.358 1.00 0.00 N ATOM 689 CA ALA A 44 0.036 2.906 6.679 1.00 0.00 C ATOM 690 C ALA A 44 0.967 1.725 6.949 1.00 0.00 C ATOM 691 O ALA A 44 0.944 0.737 6.216 1.00 0.00 O ATOM 692 CB ALA A 44 -1.076 2.949 7.723 1.00 0.00 C ATOM 0 H ALA A 44 -0.485 1.815 4.986 1.00 0.00 H new ATOM 0 HA ALA A 44 0.609 3.832 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.639 3.057 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.732 3.796 7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.652 2.025 7.679 1.00 0.00 H new ATOM 698 N PHE A 45 1.756 1.811 8.023 1.00 0.00 N ATOM 699 CA PHE A 45 2.659 0.743 8.421 1.00 0.00 C ATOM 700 C PHE A 45 2.738 0.672 9.939 1.00 0.00 C ATOM 701 O PHE A 45 3.232 1.600 10.575 1.00 0.00 O ATOM 702 CB PHE A 45 4.040 0.981 7.815 1.00 0.00 C ATOM 703 CG PHE A 45 4.969 -0.205 7.951 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.472 -0.561 9.209 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.316 -0.961 6.823 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.323 -1.666 9.338 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.167 -2.066 6.952 1.00 0.00 C ATOM 708 CZ PHE A 45 6.672 -2.418 8.210 1.00 0.00 C ATOM 0 H PHE A 45 1.782 2.625 8.637 1.00 0.00 H new ATOM 0 HA PHE A 45 2.280 -0.210 8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.928 1.226 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.495 1.847 8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.203 0.017 10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.926 -0.691 5.853 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.710 -1.938 10.309 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.434 -2.647 6.081 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.330 -3.269 8.310 1.00 0.00 H new ATOM 718 N ALA A 46 2.270 -0.437 10.518 1.00 0.00 N ATOM 719 CA ALA A 46 2.255 -0.615 11.960 1.00 0.00 C ATOM 720 C ALA A 46 1.525 0.543 12.635 1.00 0.00 C ATOM 721 O ALA A 46 1.695 0.770 13.831 1.00 0.00 O ATOM 722 CB ALA A 46 3.687 -0.748 12.474 1.00 0.00 C ATOM 0 H ALA A 46 1.894 -1.229 9.997 1.00 0.00 H new ATOM 0 HA ALA A 46 1.714 -1.529 12.206 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.674 -0.881 13.556 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.162 -1.611 12.007 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.248 0.153 12.226 1.00 0.00 H new ATOM 728 N GLY A 47 0.718 1.278 11.865 1.00 0.00 N ATOM 729 CA GLY A 47 -0.067 2.381 12.387 1.00 0.00 C ATOM 730 C GLY A 47 0.553 3.722 12.010 1.00 0.00 C ATOM 731 O GLY A 47 -0.095 4.759 12.139 1.00 0.00 O ATOM 0 H GLY A 47 0.596 1.119 10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.084 2.324 11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.136 2.301 13.472 1.00 0.00 H new ATOM 735 N LYS A 48 1.792 3.708 11.510 1.00 0.00 N ATOM 736 CA LYS A 48 2.447 4.929 11.078 1.00 0.00 C ATOM 737 C LYS A 48 1.914 5.331 9.712 1.00 0.00 C ATOM 738 O LYS A 48 1.678 4.477 8.860 1.00 0.00 O ATOM 739 CB LYS A 48 3.961 4.721 11.024 1.00 0.00 C ATOM 740 CG LYS A 48 4.484 4.305 12.399 1.00 0.00 C ATOM 741 CD LYS A 48 6.010 4.251 12.370 1.00 0.00 C ATOM 742 CE LYS A 48 6.537 3.930 13.767 1.00 0.00 C ATOM 743 NZ LYS A 48 8.009 3.925 13.788 1.00 0.00 N ATOM 0 H LYS A 48 2.353 2.864 11.398 1.00 0.00 H new ATOM 0 HA LYS A 48 2.236 5.727 11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.205 3.956 10.287 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.451 5.640 10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.149 5.014 13.157 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.080 3.330 12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.344 3.493 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.411 5.205 12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.162 4.666 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.162 2.958 14.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.342 3.704 14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.363 3.206 13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.363 4.861 13.505 1.00 0.00 H new ATOM 757 N GLN A 49 1.723 6.635 9.506 1.00 0.00 N ATOM 758 CA GLN A 49 1.219 7.155 8.250 1.00 0.00 C ATOM 759 C GLN A 49 2.342 7.200 7.219 1.00 0.00 C ATOM 760 O GLN A 49 3.482 7.516 7.555 1.00 0.00 O ATOM 761 CB GLN A 49 0.636 8.549 8.484 1.00 0.00 C ATOM 762 CG GLN A 49 1.688 9.479 9.092 1.00 0.00 C ATOM 763 CD GLN A 49 1.073 10.815 9.488 1.00 0.00 C ATOM 764 OE1 GLN A 49 1.526 11.866 9.042 1.00 0.00 O ATOM 765 NE2 GLN A 49 0.061 10.775 10.356 1.00 0.00 N ATOM 0 H GLN A 49 1.915 7.351 10.206 1.00 0.00 H new ATOM 0 HA GLN A 49 0.434 6.504 7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.279 8.963 7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.225 8.482 9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.134 9.006 9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.492 9.643 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.282 9.878 10.699 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.370 11.642 10.677 1.00 0.00 H new ATOM 774 N LEU A 50 2.020 6.867 5.966 1.00 0.00 N ATOM 775 CA LEU A 50 2.980 6.925 4.879 1.00 0.00 C ATOM 776 C LEU A 50 2.622 8.088 3.964 1.00 0.00 C ATOM 777 O LEU A 50 1.467 8.507 3.922 1.00 0.00 O ATOM 778 CB LEU A 50 2.971 5.605 4.110 1.00 0.00 C ATOM 779 CG LEU A 50 3.307 4.440 5.043 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.245 3.136 4.254 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.710 4.609 5.624 1.00 0.00 C ATOM 0 H LEU A 50 1.091 6.553 5.686 1.00 0.00 H new ATOM 0 HA LEU A 50 3.984 7.081 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.991 5.447 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.694 5.647 3.295 1.00 0.00 H new ATOM 0 HG LEU A 50 2.587 4.421 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.483 2.301 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.242 3.004 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.965 3.171 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.933 3.772 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.439 4.636 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.761 5.540 6.188 1.00 0.00 H new ATOM 793 N GLU A 51 3.605 8.602 3.220 1.00 0.00 N ATOM 794 CA GLU A 51 3.368 9.734 2.348 1.00 0.00 C ATOM 795 C GLU A 51 4.217 9.616 1.087 1.00 0.00 C ATOM 796 O GLU A 51 5.218 8.903 1.070 1.00 0.00 O ATOM 797 CB GLU A 51 3.690 11.016 3.113 1.00 0.00 C ATOM 798 CG GLU A 51 3.218 12.239 2.335 1.00 0.00 C ATOM 799 CD GLU A 51 3.353 13.495 3.183 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.268 14.291 2.885 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.530 13.643 4.113 1.00 0.00 O ATOM 0 H GLU A 51 4.562 8.249 3.210 1.00 0.00 H new ATOM 0 HA GLU A 51 2.323 9.756 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.209 10.993 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.764 11.082 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.804 12.345 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.179 12.107 2.033 1.00 0.00 H new ATOM 808 N ASP A 52 3.792 10.297 0.021 1.00 0.00 N ATOM 809 CA ASP A 52 4.500 10.298 -1.245 1.00 0.00 C ATOM 810 C ASP A 52 5.597 11.355 -1.240 1.00 0.00 C ATOM 811 O ASP A 52 5.594 12.258 -0.406 1.00 0.00 O ATOM 812 CB ASP A 52 3.509 10.572 -2.373 1.00 0.00 C ATOM 813 CG ASP A 52 2.799 11.902 -2.160 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.722 11.873 -1.525 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.316 12.917 -2.676 1.00 0.00 O ATOM 0 H ASP A 52 2.943 10.863 0.019 1.00 0.00 H new ATOM 0 HA ASP A 52 4.966 9.324 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.033 10.584 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.776 9.767 -2.422 1.00 0.00 H new ATOM 820 N GLY A 53 6.530 11.246 -2.190 1.00 0.00 N ATOM 821 CA GLY A 53 7.604 12.209 -2.337 1.00 0.00 C ATOM 822 C GLY A 53 8.922 11.636 -1.834 1.00 0.00 C ATOM 823 O GLY A 53 9.938 12.328 -1.844 1.00 0.00 O ATOM 0 H GLY A 53 6.555 10.488 -2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.703 12.492 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.362 13.116 -1.783 1.00 0.00 H new ATOM 827 N ARG A 54 8.906 10.385 -1.365 1.00 0.00 N ATOM 828 CA ARG A 54 10.105 9.756 -0.847 1.00 0.00 C ATOM 829 C ARG A 54 10.193 8.308 -1.318 1.00 0.00 C ATOM 830 O ARG A 54 9.173 7.675 -1.586 1.00 0.00 O ATOM 831 CB ARG A 54 10.079 9.842 0.680 1.00 0.00 C ATOM 832 CG ARG A 54 11.383 9.315 1.273 1.00 0.00 C ATOM 833 CD ARG A 54 11.378 9.536 2.783 1.00 0.00 C ATOM 834 NE ARG A 54 12.619 9.053 3.392 1.00 0.00 N ATOM 835 CZ ARG A 54 13.078 9.484 4.575 1.00 0.00 C ATOM 836 NH1 ARG A 54 12.406 10.420 5.255 1.00 0.00 N ATOM 837 NH2 ARG A 54 14.224 8.996 5.062 1.00 0.00 N ATOM 0 H ARG A 54 8.074 9.796 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 54 10.989 10.272 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.925 10.876 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.239 9.266 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.494 8.254 1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.233 9.826 0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.253 10.597 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.527 9.019 3.226 1.00 0.00 H new ATOM 0 HE ARG A 54 13.163 8.352 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.543 10.807 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.757 10.747 6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.746 8.298 4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.576 9.322 5.962 1.00 0.00 H new ATOM 851 N THR A 55 11.416 7.773 -1.364 1.00 0.00 N ATOM 852 CA THR A 55 11.660 6.381 -1.697 1.00 0.00 C ATOM 853 C THR A 55 10.980 5.507 -0.649 1.00 0.00 C ATOM 854 O THR A 55 11.246 5.646 0.543 1.00 0.00 O ATOM 855 CB THR A 55 13.172 6.150 -1.724 1.00 0.00 C ATOM 856 OG1 THR A 55 13.752 7.002 -2.686 1.00 0.00 O ATOM 857 CG2 THR A 55 13.490 4.701 -2.076 1.00 0.00 C ATOM 0 H THR A 55 12.265 8.303 -1.169 1.00 0.00 H new ATOM 0 HA THR A 55 11.253 6.126 -2.675 1.00 0.00 H new ATOM 0 HB THR A 55 13.579 6.365 -0.736 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.721 6.860 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.571 4.559 -2.090 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.046 4.040 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.081 4.467 -3.059 1.00 0.00 H new ATOM 865 N LEU A 56 10.061 4.643 -1.087 1.00 0.00 N ATOM 866 CA LEU A 56 9.231 3.879 -0.173 1.00 0.00 C ATOM 867 C LEU A 56 10.055 2.932 0.698 1.00 0.00 C ATOM 868 O LEU A 56 9.724 2.737 1.866 1.00 0.00 O ATOM 869 CB LEU A 56 8.161 3.129 -0.973 1.00 0.00 C ATOM 870 CG LEU A 56 8.775 2.152 -1.977 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.885 0.758 -1.361 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.871 2.067 -3.203 1.00 0.00 C ATOM 0 H LEU A 56 9.878 4.460 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 56 8.743 4.569 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.512 2.584 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.535 3.847 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 56 9.768 2.507 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.324 0.073 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.517 0.801 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.893 0.404 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.301 1.372 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.884 1.714 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.781 3.053 -3.658 1.00 0.00 H new ATOM 884 N SER A 57 11.166 2.403 0.178 1.00 0.00 N ATOM 885 CA SER A 57 11.981 1.481 0.953 1.00 0.00 C ATOM 886 C SER A 57 12.881 2.252 1.908 1.00 0.00 C ATOM 887 O SER A 57 13.412 1.680 2.858 1.00 0.00 O ATOM 888 CB SER A 57 12.813 0.611 0.016 1.00 0.00 C ATOM 889 OG SER A 57 11.950 -0.124 -0.824 1.00 0.00 O ATOM 0 H SER A 57 11.513 2.597 -0.762 1.00 0.00 H new ATOM 0 HA SER A 57 11.329 0.836 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.479 1.233 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.443 -0.067 0.593 1.00 0.00 H new ATOM 0 HG SER A 57 12.481 -0.683 -1.429 1.00 0.00 H new ATOM 895 N ASP A 58 13.019 3.560 1.683 1.00 0.00 N ATOM 896 CA ASP A 58 13.780 4.415 2.572 1.00 0.00 C ATOM 897 C ASP A 58 12.846 4.981 3.634 1.00 0.00 C ATOM 898 O ASP A 58 13.298 5.514 4.645 1.00 0.00 O ATOM 899 CB ASP A 58 14.421 5.539 1.761 1.00 0.00 C ATOM 900 CG ASP A 58 15.312 6.408 2.637 1.00 0.00 C ATOM 901 OD1 ASP A 58 15.000 7.614 2.745 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.330 5.869 3.123 1.00 0.00 O ATOM 0 H ASP A 58 12.608 4.045 0.885 1.00 0.00 H new ATOM 0 HA ASP A 58 14.569 3.846 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.009 5.115 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.643 6.153 1.306 1.00 0.00 H new ATOM 907 N TYR A 59 11.537 4.849 3.401 1.00 0.00 N ATOM 908 CA TYR A 59 10.527 5.362 4.305 1.00 0.00 C ATOM 909 C TYR A 59 10.294 4.386 5.453 1.00 0.00 C ATOM 910 O TYR A 59 10.656 4.675 6.591 1.00 0.00 O ATOM 911 CB TYR A 59 9.235 5.614 3.526 1.00 0.00 C ATOM 912 CG TYR A 59 8.465 6.827 3.998 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.917 7.709 3.057 1.00 0.00 C ATOM 914 CD2 TYR A 59 8.307 7.076 5.369 1.00 0.00 C ATOM 915 CE1 TYR A 59 7.216 8.845 3.482 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.601 8.206 5.802 1.00 0.00 C ATOM 917 CZ TYR A 59 7.054 9.097 4.858 1.00 0.00 C ATOM 918 OH TYR A 59 6.370 10.203 5.270 1.00 0.00 O ATOM 0 H TYR A 59 11.157 4.382 2.578 1.00 0.00 H new ATOM 0 HA TYR A 59 10.868 6.303 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.476 5.737 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.595 4.735 3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.035 7.513 2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.730 6.395 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.800 9.527 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.476 8.394 6.858 1.00 0.00 H new ATOM 0 HH TYR A 59 6.348 10.228 6.249 1.00 0.00 H new ATOM 928 N ASN A 60 9.649 3.248 5.168 1.00 0.00 N ATOM 929 CA ASN A 60 9.320 2.278 6.200 1.00 0.00 C ATOM 930 C ASN A 60 9.191 0.873 5.614 1.00 0.00 C ATOM 931 O ASN A 60 9.290 -0.105 6.351 1.00 0.00 O ATOM 932 CB ASN A 60 8.008 2.679 6.874 1.00 0.00 C ATOM 933 CG ASN A 60 8.242 3.713 7.967 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.941 3.442 8.941 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.618 4.884 7.831 1.00 0.00 N ATOM 0 H ASN A 60 9.348 2.984 4.230 1.00 0.00 H new ATOM 0 HA ASN A 60 10.126 2.267 6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.322 3.083 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.531 1.797 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.711 5.598 8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.048 5.065 7.005 1.00 0.00 H new ATOM 942 N ILE A 61 8.904 0.763 4.312 1.00 0.00 N ATOM 943 CA ILE A 61 8.701 -0.535 3.686 1.00 0.00 C ATOM 944 C ILE A 61 9.896 -1.438 3.974 1.00 0.00 C ATOM 945 O ILE A 61 11.043 -1.002 3.893 1.00 0.00 O ATOM 946 CB ILE A 61 8.494 -0.367 2.176 1.00 0.00 C ATOM 947 CG1 ILE A 61 7.034 -0.015 1.878 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.815 -1.680 1.462 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.756 1.447 2.213 1.00 0.00 C ATOM 0 H ILE A 61 8.809 1.557 3.679 1.00 0.00 H new ATOM 0 HA ILE A 61 7.807 -1.000 4.101 1.00 0.00 H new ATOM 0 HB ILE A 61 9.151 0.430 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.817 -0.200 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.373 -0.659 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.667 -1.557 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.852 -1.955 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.156 -2.466 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.713 1.678 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.953 1.622 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.403 2.087 1.613 1.00 0.00 H new ATOM 961 N GLN A 62 9.622 -2.708 4.288 1.00 0.00 N ATOM 962 CA GLN A 62 10.665 -3.684 4.541 1.00 0.00 C ATOM 963 C GLN A 62 10.366 -4.966 3.771 1.00 0.00 C ATOM 964 O GLN A 62 9.282 -5.123 3.212 1.00 0.00 O ATOM 965 CB GLN A 62 10.763 -3.963 6.041 1.00 0.00 C ATOM 966 CG GLN A 62 11.497 -2.822 6.744 1.00 0.00 C ATOM 967 CD GLN A 62 11.695 -3.137 8.221 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.825 -3.288 8.680 1.00 0.00 O ATOM 969 NE2 GLN A 62 10.593 -3.284 8.958 1.00 0.00 N ATOM 0 H GLN A 62 8.675 -3.078 4.371 1.00 0.00 H new ATOM 0 HA GLN A 62 11.623 -3.290 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.764 -4.077 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.290 -4.902 6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.464 -2.658 6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.929 -1.898 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.675 -3.149 8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.669 -3.532 9.945 1.00 0.00 H new ATOM 978 N LYS A 63 11.351 -5.866 3.725 1.00 0.00 N ATOM 979 CA LYS A 63 11.254 -7.123 3.004 1.00 0.00 C ATOM 980 C LYS A 63 10.199 -8.034 3.625 1.00 0.00 C ATOM 981 O LYS A 63 10.263 -8.347 4.811 1.00 0.00 O ATOM 982 CB LYS A 63 12.625 -7.801 2.982 1.00 0.00 C ATOM 983 CG LYS A 63 13.165 -7.989 4.399 1.00 0.00 C ATOM 984 CD LYS A 63 14.599 -8.503 4.322 1.00 0.00 C ATOM 985 CE LYS A 63 15.175 -8.625 5.730 1.00 0.00 C ATOM 986 NZ LYS A 63 16.576 -9.073 5.690 1.00 0.00 N ATOM 0 H LYS A 63 12.246 -5.734 4.195 1.00 0.00 H new ATOM 0 HA LYS A 63 10.941 -6.922 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.548 -8.769 2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.323 -7.199 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.133 -7.045 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.542 -8.694 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.622 -9.472 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.208 -7.823 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.112 -7.662 6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.580 -9.331 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.944 -9.148 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.630 -10.002 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.145 -8.386 5.156 1.00 0.00 H new ATOM 1000 N GLU A 64 9.237 -8.466 2.804 1.00 0.00 N ATOM 1001 CA GLU A 64 8.189 -9.389 3.209 1.00 0.00 C ATOM 1002 C GLU A 64 7.588 -8.994 4.552 1.00 0.00 C ATOM 1003 O GLU A 64 7.281 -9.858 5.372 1.00 0.00 O ATOM 1004 CB GLU A 64 8.749 -10.811 3.254 1.00 0.00 C ATOM 1005 CG GLU A 64 9.178 -11.249 1.854 1.00 0.00 C ATOM 1006 CD GLU A 64 10.539 -10.671 1.491 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.583 -9.877 0.526 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.509 -11.013 2.201 1.00 0.00 O ATOM 0 H GLU A 64 9.169 -8.177 1.828 1.00 0.00 H new ATOM 0 HA GLU A 64 7.385 -9.347 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.600 -10.854 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.995 -11.495 3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.217 -12.337 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.436 -10.925 1.125 1.00 0.00 H new ATOM 1015 N SER A 65 7.360 -7.694 4.755 1.00 0.00 N ATOM 1016 CA SER A 65 6.741 -7.217 5.977 1.00 0.00 C ATOM 1017 C SER A 65 5.270 -6.909 5.715 1.00 0.00 C ATOM 1018 O SER A 65 4.848 -6.819 4.563 1.00 0.00 O ATOM 1019 CB SER A 65 7.474 -5.972 6.468 1.00 0.00 C ATOM 1020 OG SER A 65 8.779 -6.323 6.870 1.00 0.00 O ATOM 0 H SER A 65 7.597 -6.961 4.086 1.00 0.00 H new ATOM 0 HA SER A 65 6.805 -7.984 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.515 -5.225 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.933 -5.524 7.302 1.00 0.00 H new ATOM 0 HG SER A 65 9.228 -6.801 6.142 1.00 0.00 H new ATOM 1026 N THR A 66 4.496 -6.722 6.786 1.00 0.00 N ATOM 1027 CA THR A 66 3.070 -6.474 6.678 1.00 0.00 C ATOM 1028 C THR A 66 2.791 -4.976 6.665 1.00 0.00 C ATOM 1029 O THR A 66 3.345 -4.232 7.473 1.00 0.00 O ATOM 1030 CB THR A 66 2.356 -7.144 7.852 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.708 -8.510 7.895 1.00 0.00 O ATOM 1032 CG2 THR A 66 0.842 -7.015 7.694 1.00 0.00 C ATOM 0 H THR A 66 4.844 -6.739 7.745 1.00 0.00 H new ATOM 0 HA THR A 66 2.697 -6.893 5.743 1.00 0.00 H new ATOM 0 HB THR A 66 2.658 -6.654 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.253 -8.942 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.346 -7.496 8.537 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.568 -5.960 7.666 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.531 -7.496 6.767 1.00 0.00 H new ATOM 1040 N LEU A 67 1.908 -4.541 5.763 1.00 0.00 N ATOM 1041 CA LEU A 67 1.491 -3.154 5.679 1.00 0.00 C ATOM 1042 C LEU A 67 0.027 -3.061 6.090 1.00 0.00 C ATOM 1043 O LEU A 67 -0.613 -4.080 6.342 1.00 0.00 O ATOM 1044 CB LEU A 67 1.678 -2.638 4.250 1.00 0.00 C ATOM 1045 CG LEU A 67 3.112 -2.167 4.011 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.053 -3.359 3.851 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.150 -1.329 2.735 1.00 0.00 C ATOM 0 H LEU A 67 1.466 -5.148 5.073 1.00 0.00 H new ATOM 0 HA LEU A 67 2.097 -2.540 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.430 -3.428 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.987 -1.815 4.065 1.00 0.00 H new ATOM 0 HG LEU A 67 3.437 -1.577 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.068 -3.001 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.028 -3.966 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.735 -3.962 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.169 -0.987 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.815 -1.934 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.493 -0.467 2.846 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.504 -1.839 6.167 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.888 -1.624 6.542 1.00 0.00 C ATOM 1061 C HIS A 68 -2.551 -0.692 5.540 1.00 0.00 C ATOM 1062 O HIS A 68 -1.991 0.345 5.188 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.952 -1.051 7.954 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.361 -0.783 8.410 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.395 -1.686 8.414 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -3.837 0.405 8.887 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.482 -1.048 8.887 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.193 0.234 9.190 1.00 0.00 N ATOM 0 H HIS A 68 0.014 -0.983 5.972 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.426 -2.572 6.533 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.477 -1.747 8.646 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.380 -0.124 7.992 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.268 1.315 9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.455 -1.502 9.008 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.832 0.936 9.564 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.732 -1.078 5.053 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.462 -0.284 4.084 1.00 0.00 C ATOM 1078 C LEU A 69 -5.854 0.005 4.630 1.00 0.00 C ATOM 1079 O LEU A 69 -6.437 -0.832 5.315 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.542 -1.056 2.765 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.117 -0.181 1.650 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.053 0.791 1.149 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.561 -1.068 0.491 1.00 0.00 C ATOM 0 H LEU A 69 -4.200 -1.944 5.321 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.954 0.663 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.548 -1.404 2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.165 -1.941 2.895 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.966 0.380 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.471 1.410 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.725 1.427 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.202 0.231 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.971 -0.447 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.705 -1.626 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.324 -1.765 0.838 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.394 1.180 4.303 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.721 1.571 4.738 1.00 0.00 C ATOM 1097 C ALA A 70 -8.538 1.996 3.528 1.00 0.00 C ATOM 1098 O ALA A 70 -8.001 2.609 2.608 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.608 2.708 5.749 1.00 0.00 C ATOM 0 H ALA A 70 -5.920 1.879 3.731 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.223 0.732 5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.605 3.003 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.027 2.374 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.112 3.560 5.284 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.832 1.666 3.526 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.709 1.994 2.416 1.00 0.00 C ATOM 1107 C LEU A 71 -11.820 2.920 2.899 1.00 0.00 C ATOM 1108 O LEU A 71 -11.973 3.140 4.099 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.314 0.714 1.826 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.293 -0.156 1.079 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.460 0.689 0.118 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.368 -0.889 2.051 1.00 0.00 C ATOM 0 H LEU A 71 -10.291 1.169 4.289 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.131 2.498 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.760 0.128 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.119 0.983 1.143 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.854 -0.897 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.744 0.051 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.116 1.164 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.925 1.456 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.658 -1.496 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.826 -0.162 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.960 -1.533 2.702 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.604 3.448 1.955 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.723 4.321 2.263 1.00 0.00 C ATOM 1126 C ARG A 72 -14.868 3.514 2.862 1.00 0.00 C ATOM 1127 O ARG A 72 -14.850 2.285 2.831 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.187 5.018 0.983 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.592 3.975 -0.060 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.206 4.661 -1.277 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.487 5.286 -0.940 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.271 5.889 -1.843 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.887 5.957 -3.124 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.440 6.422 -1.465 1.00 0.00 N ATOM 0 H ARG A 72 -12.475 3.278 0.958 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.408 5.069 2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.030 5.674 1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.388 5.646 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.721 3.394 -0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.308 3.276 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.519 5.416 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.352 3.932 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.798 5.261 0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.997 5.550 -3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.484 6.416 -3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.733 6.369 -0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.037 6.881 -2.153 1.00 0.00 H new