USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 149:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.11 USER MOD Set 2.1: A 22 THR OG1 : rot -57:sc= 0.133 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.464 K(o=0.6,f=-3.9!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 157:sc= 0.164 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 156:sc= 0.156 USER MOD Set 4.1: A 7 THR OG1 : rot 164:sc= 1.63 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.957 USER MOD Single : A 1 MET CE :methyl -175:sc=-0.00522 (180deg=-0.0153) USER MOD Single : A 1 MET N :NH3+ -142:sc= 2.4 (180deg=1.46) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 1.01 (180deg=-0.18!) USER MOD Single : A 14 THR OG1 : rot -96:sc= 0.155 USER MOD Single : A 20 SER OG : rot 180:sc= 0.044 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00144) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.016) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.887 K(o=0.89,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.95 USER MOD Single : A 60 ASN : amide:sc= -0.0237 K(o=-0.024,f=-0.62) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.348 K(o=0.35,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.798 -7.453 -4.893 1.00 9.67 N ATOM 2 CA MET A 1 11.652 -7.141 -3.426 1.00 10.38 C ATOM 3 C MET A 1 10.238 -7.510 -2.966 1.00 9.62 C ATOM 4 O MET A 1 9.229 -7.186 -3.623 1.00 9.62 O ATOM 5 CB MET A 1 12.188 -5.699 -3.208 1.00 13.77 C ATOM 6 CG MET A 1 12.198 -5.234 -1.745 1.00 16.29 C ATOM 7 SD MET A 1 12.532 -3.574 -1.300 1.00 17.17 S ATOM 8 CE MET A 1 10.854 -2.964 -1.553 1.00 16.11 C ATOM 0 H1 MET A 1 12.751 -7.828 -5.075 1.00 9.67 H new ATOM 0 H2 MET A 1 11.089 -8.162 -5.170 1.00 9.67 H new ATOM 0 H3 MET A 1 11.655 -6.585 -5.448 1.00 9.67 H new ATOM 0 HA MET A 1 12.259 -7.747 -2.753 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.203 -5.640 -3.601 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.580 -5.008 -3.791 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.220 -5.480 -1.331 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.929 -5.852 -1.224 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.835 -1.883 -1.412 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.528 -3.204 -2.565 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.183 -3.436 -0.835 1.00 16.11 H new ATOM 20 N GLN A 2 10.204 -8.179 -1.804 1.00 9.27 N ATOM 21 CA GLN A 2 9.093 -8.769 -1.128 1.00 9.07 C ATOM 22 C GLN A 2 8.541 -7.827 -0.045 1.00 8.72 C ATOM 23 O GLN A 2 9.287 -7.585 0.916 1.00 8.22 O ATOM 24 CB GLN A 2 9.560 -10.117 -0.497 1.00 14.46 C ATOM 25 CG GLN A 2 8.448 -10.800 0.273 1.00 17.01 C ATOM 26 CD GLN A 2 8.904 -12.194 0.551 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.796 -12.349 1.417 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.272 -13.197 -0.117 1.00 19.49 N ATOM 0 H GLN A 2 11.064 -8.322 -1.275 1.00 9.27 H new ATOM 0 HA GLN A 2 8.288 -8.950 -1.840 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.917 -10.781 -1.284 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.402 -9.932 0.170 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.240 -10.270 1.202 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.524 -10.804 -0.305 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.555 -12.977 -0.808 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.515 -14.169 0.074 1.00 19.49 H new ATOM 37 N ILE A 3 7.295 -7.302 -0.135 1.00 5.87 N ATOM 38 CA ILE A 3 6.637 -6.607 0.931 1.00 5.07 C ATOM 39 C ILE A 3 5.373 -7.283 1.352 1.00 4.01 C ATOM 40 O ILE A 3 4.813 -8.080 0.559 1.00 4.61 O ATOM 41 CB ILE A 3 6.425 -5.109 0.681 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.162 -4.960 -0.299 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.740 -4.538 0.127 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.021 -3.527 -0.807 1.00 10.83 C ATOM 0 H ILE A 3 6.730 -7.367 -0.982 1.00 5.87 H new ATOM 0 HA ILE A 3 7.337 -6.659 1.765 1.00 5.07 H new ATOM 0 HB ILE A 3 6.194 -4.538 1.581 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.273 -5.639 -1.145 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.254 -5.253 0.228 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.622 -3.471 -0.062 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.538 -4.692 0.853 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.994 -5.046 -0.804 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.157 -3.459 -1.468 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.885 -2.853 0.039 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.920 -3.245 -1.355 1.00 10.83 H new ATOM 56 N PHE A 4 4.825 -7.013 2.564 1.00 4.55 N ATOM 57 CA PHE A 4 3.604 -7.625 3.115 1.00 4.68 C ATOM 58 C PHE A 4 2.562 -6.552 3.411 1.00 5.30 C ATOM 59 O PHE A 4 2.947 -5.549 3.925 1.00 5.58 O ATOM 60 CB PHE A 4 4.007 -8.344 4.434 1.00 4.83 C ATOM 61 CG PHE A 4 4.982 -9.460 4.216 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.686 -10.591 3.500 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.278 -9.305 4.697 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.641 -11.569 3.246 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.236 -10.314 4.652 1.00 10.61 C ATOM 66 CZ PHE A 4 6.932 -11.396 3.779 1.00 8.90 C ATOM 0 H PHE A 4 5.243 -6.336 3.203 1.00 4.55 H new ATOM 0 HA PHE A 4 3.172 -8.327 2.402 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.442 -7.617 5.120 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.112 -8.739 4.914 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.683 -10.726 3.123 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.555 -8.354 5.127 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.398 -12.439 2.655 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.143 -10.278 5.237 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.709 -12.100 3.520 1.00 8.90 H new ATOM 76 N VAL A 5 1.255 -6.767 3.113 1.00 4.44 N ATOM 77 CA VAL A 5 0.230 -5.726 3.293 1.00 3.87 C ATOM 78 C VAL A 5 -0.884 -6.346 4.122 1.00 4.93 C ATOM 79 O VAL A 5 -1.581 -7.233 3.681 1.00 6.84 O ATOM 80 CB VAL A 5 -0.354 -5.102 2.019 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.319 -3.972 2.408 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.726 -4.681 1.019 1.00 9.13 C ATOM 0 H VAL A 5 0.895 -7.649 2.749 1.00 4.44 H new ATOM 0 HA VAL A 5 0.725 -4.884 3.777 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.927 -5.857 1.481 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.737 -3.524 1.507 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.125 -4.377 3.020 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.780 -3.212 2.974 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.256 -4.246 0.137 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.382 -3.944 1.481 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.310 -5.553 0.726 1.00 9.13 H new ATOM 92 N LYS A 6 -1.070 -5.836 5.382 1.00 6.04 N ATOM 93 CA LYS A 6 -1.971 -6.345 6.329 1.00 6.12 C ATOM 94 C LYS A 6 -3.312 -5.601 6.215 1.00 6.57 C ATOM 95 O LYS A 6 -3.455 -4.577 5.585 1.00 5.76 O ATOM 96 CB LYS A 6 -1.443 -6.063 7.769 1.00 7.45 C ATOM 97 CG LYS A 6 -0.098 -6.744 8.047 1.00 11.12 C ATOM 98 CD LYS A 6 -0.179 -8.291 8.184 1.00 14.54 C ATOM 99 CE LYS A 6 1.145 -8.937 8.474 1.00 18.84 C ATOM 100 NZ LYS A 6 1.210 -10.340 8.916 1.00 20.55 N ATOM 0 H LYS A 6 -0.550 -5.028 5.725 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.084 -7.414 6.148 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.337 -4.987 7.909 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.178 -6.408 8.496 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.594 -6.498 7.241 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.322 -6.331 8.964 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.879 -8.541 8.982 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.584 -8.709 7.262 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.748 -8.856 7.569 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.636 -8.335 9.239 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.149 -10.729 8.698 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.044 -10.389 9.942 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.482 -10.894 8.421 1.00 20.55 H new ATOM 114 N THR A 7 -4.403 -6.108 6.842 1.00 7.41 N ATOM 115 CA THR A 7 -5.780 -5.554 6.646 1.00 7.48 C ATOM 116 C THR A 7 -6.546 -5.496 7.902 1.00 8.75 C ATOM 117 O THR A 7 -6.009 -5.824 8.918 1.00 8.58 O ATOM 118 CB THR A 7 -6.636 -6.379 5.686 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.093 -7.688 6.198 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.792 -6.634 4.380 1.00 9.17 C ATOM 0 H THR A 7 -4.363 -6.897 7.487 1.00 7.41 H new ATOM 0 HA THR A 7 -5.596 -4.559 6.240 1.00 7.48 H new ATOM 0 HB THR A 7 -7.541 -5.795 5.518 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.823 -8.022 5.636 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.380 -7.222 3.676 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.529 -5.679 3.925 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.882 -7.177 4.635 1.00 9.17 H new ATOM 128 N LEU A 8 -7.729 -4.872 7.886 1.00 9.84 N ATOM 129 CA LEU A 8 -8.587 -4.957 9.092 1.00 14.15 C ATOM 130 C LEU A 8 -9.618 -6.072 8.955 1.00 17.37 C ATOM 131 O LEU A 8 -10.665 -5.996 9.575 1.00 17.01 O ATOM 132 CB LEU A 8 -9.262 -3.560 9.276 1.00 16.63 C ATOM 133 CG LEU A 8 -8.266 -2.424 9.305 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.965 -1.107 9.510 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.272 -2.637 10.451 1.00 18.59 C ATOM 0 H LEU A 8 -8.106 -4.332 7.107 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.994 -5.204 9.972 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.970 -3.395 8.464 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.834 -3.558 10.204 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.742 -2.407 8.350 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.229 -0.303 9.528 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.668 -0.937 8.694 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.505 -1.125 10.457 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.555 -1.816 10.469 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.810 -2.669 11.398 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.742 -3.578 10.303 1.00 18.59 H new ATOM 147 N THR A 9 -9.384 -7.140 8.129 1.00 18.33 N ATOM 148 CA THR A 9 -10.282 -8.299 7.774 1.00 19.24 C ATOM 149 C THR A 9 -9.696 -9.616 7.912 1.00 19.48 C ATOM 150 O THR A 9 -10.269 -10.633 7.427 1.00 23.14 O ATOM 151 CB THR A 9 -10.738 -8.137 6.308 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.567 -8.155 5.512 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.479 -6.745 6.095 1.00 19.70 C ATOM 0 H THR A 9 -8.487 -7.223 7.651 1.00 18.33 H new ATOM 0 HA THR A 9 -11.100 -8.257 8.493 1.00 19.24 H new ATOM 0 HB THR A 9 -11.430 -8.935 6.041 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.811 -8.056 4.568 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.791 -6.654 5.054 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.355 -6.696 6.742 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.800 -5.929 6.343 1.00 19.70 H new ATOM 161 N GLY A 10 -8.474 -9.700 8.510 1.00 19.43 N ATOM 162 CA GLY A 10 -7.891 -11.011 8.765 1.00 18.74 C ATOM 163 C GLY A 10 -7.210 -11.614 7.526 1.00 17.62 C ATOM 164 O GLY A 10 -7.315 -12.815 7.298 1.00 19.74 O ATOM 0 H GLY A 10 -7.910 -8.904 8.806 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.161 -10.928 9.570 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.671 -11.689 9.111 1.00 18.74 H new ATOM 168 N LYS A 11 -6.468 -10.798 6.772 1.00 13.56 N ATOM 169 CA LYS A 11 -5.678 -11.165 5.640 1.00 11.91 C ATOM 170 C LYS A 11 -4.324 -10.627 5.744 1.00 10.18 C ATOM 171 O LYS A 11 -4.047 -9.722 6.527 1.00 9.10 O ATOM 172 CB LYS A 11 -6.378 -10.656 4.370 1.00 13.43 C ATOM 173 CG LYS A 11 -6.320 -11.522 3.103 1.00 16.69 C ATOM 174 CD LYS A 11 -7.372 -11.099 2.114 1.00 17.92 C ATOM 175 CE LYS A 11 -7.466 -11.948 0.888 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.412 -11.489 -0.039 1.00 21.93 N ATOM 0 H LYS A 11 -6.414 -9.798 6.968 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.585 -12.250 5.598 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.428 -10.494 4.613 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.954 -9.682 4.125 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.333 -11.441 2.647 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.464 -12.570 3.367 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.341 -11.101 2.614 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.172 -10.071 1.811 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.488 -11.988 0.408 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.720 -12.967 1.180 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.064 -12.262 -0.282 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.949 -10.700 0.375 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.926 -11.163 -0.899 1.00 21.93 H new ATOM 190 N THR A 12 -3.418 -11.286 4.991 1.00 9.63 N ATOM 191 CA THR A 12 -2.019 -10.901 4.855 1.00 9.85 C ATOM 192 C THR A 12 -1.734 -11.074 3.398 1.00 11.66 C ATOM 193 O THR A 12 -2.047 -12.091 2.816 1.00 12.33 O ATOM 194 CB THR A 12 -0.943 -11.646 5.645 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.109 -11.444 7.035 1.00 10.91 O ATOM 196 CG2 THR A 12 0.454 -11.068 5.297 1.00 9.63 C ATOM 0 H THR A 12 -3.656 -12.119 4.453 1.00 9.63 H new ATOM 0 HA THR A 12 -1.943 -9.899 5.277 1.00 9.85 H new ATOM 0 HB THR A 12 -1.027 -12.703 5.390 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.698 -12.187 7.525 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.219 -11.601 5.862 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.641 -11.187 4.230 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.484 -10.009 5.555 1.00 9.63 H new ATOM 204 N ILE A 13 -1.325 -10.001 2.697 1.00 10.42 N ATOM 205 CA ILE A 13 -1.206 -10.005 1.258 1.00 11.84 C ATOM 206 C ILE A 13 0.215 -9.794 1.024 1.00 10.55 C ATOM 207 O ILE A 13 0.760 -8.847 1.629 1.00 11.92 O ATOM 208 CB ILE A 13 -2.059 -8.951 0.529 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.560 -8.993 1.084 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.048 -9.262 -0.957 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.440 -7.876 0.590 1.00 16.46 C ATOM 0 H ILE A 13 -1.071 -9.113 3.129 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.588 -10.941 0.851 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.650 -7.955 0.701 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.011 -9.945 0.804 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.532 -8.962 2.173 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.649 -8.523 -1.488 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.023 -9.231 -1.328 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.464 -10.256 -1.124 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.438 -7.983 1.016 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.017 -6.918 0.893 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.503 -7.917 -0.497 1.00 16.46 H new ATOM 223 N THR A 14 0.849 -10.546 0.159 1.00 9.39 N ATOM 224 CA THR A 14 2.239 -10.374 -0.239 1.00 9.63 C ATOM 225 C THR A 14 2.384 -9.938 -1.604 1.00 11.20 C ATOM 226 O THR A 14 1.853 -10.473 -2.600 1.00 11.63 O ATOM 227 CB THR A 14 3.064 -11.730 -0.070 1.00 10.38 C ATOM 228 OG1 THR A 14 2.843 -12.372 1.134 1.00 16.30 O ATOM 229 CG2 THR A 14 4.531 -11.617 -0.304 1.00 11.66 C ATOM 0 H THR A 14 0.398 -11.331 -0.312 1.00 9.39 H new ATOM 0 HA THR A 14 2.631 -9.601 0.422 1.00 9.63 H new ATOM 0 HB THR A 14 2.656 -12.341 -0.876 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.542 -12.120 1.773 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.998 -12.592 -0.164 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.712 -11.271 -1.322 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.958 -10.906 0.403 1.00 11.66 H new ATOM 237 N LEU A 15 3.255 -8.931 -1.846 1.00 8.29 N ATOM 238 CA LEU A 15 3.452 -8.333 -3.176 1.00 9.03 C ATOM 239 C LEU A 15 4.938 -8.424 -3.572 1.00 8.59 C ATOM 240 O LEU A 15 5.849 -8.633 -2.747 1.00 7.79 O ATOM 241 CB LEU A 15 3.019 -6.849 -3.080 1.00 11.08 C ATOM 242 CG LEU A 15 1.640 -6.611 -2.681 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.366 -5.118 -2.564 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.569 -7.182 -3.561 1.00 15.27 C ATOM 0 H LEU A 15 3.839 -8.514 -1.121 1.00 8.29 H new ATOM 0 HA LEU A 15 2.865 -8.857 -3.930 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.674 -6.345 -2.369 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.182 -6.380 -4.051 1.00 11.08 H new ATOM 0 HG LEU A 15 1.575 -7.140 -1.730 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.330 -4.961 -2.265 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.030 -4.684 -1.816 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.542 -4.639 -3.527 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.410 -6.933 -3.151 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.660 -6.763 -4.563 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.677 -8.266 -3.609 1.00 15.27 H new ATOM 256 N GLU A 16 5.206 -8.376 -4.837 1.00 11.04 N ATOM 257 CA GLU A 16 6.536 -8.387 -5.451 1.00 11.50 C ATOM 258 C GLU A 16 6.759 -7.144 -6.239 1.00 10.13 C ATOM 259 O GLU A 16 5.863 -6.770 -7.028 1.00 9.83 O ATOM 260 CB GLU A 16 6.621 -9.619 -6.317 1.00 17.22 C ATOM 261 CG GLU A 16 7.999 -9.954 -6.962 1.00 23.33 C ATOM 262 CD GLU A 16 9.100 -10.095 -5.922 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.068 -11.084 -5.176 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.069 -9.280 -5.838 1.00 28.90 O ATOM 0 H GLU A 16 4.464 -8.324 -5.535 1.00 11.04 H new ATOM 0 HA GLU A 16 7.316 -8.416 -4.690 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.315 -10.475 -5.715 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.891 -9.517 -7.120 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.917 -10.881 -7.530 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.268 -9.169 -7.669 1.00 23.33 H new ATOM 271 N VAL A 17 7.803 -6.402 -5.907 1.00 8.99 N ATOM 272 CA VAL A 17 8.063 -5.095 -6.374 1.00 8.85 C ATOM 273 C VAL A 17 9.546 -4.839 -6.659 1.00 8.04 C ATOM 274 O VAL A 17 10.444 -5.596 -6.254 1.00 8.99 O ATOM 275 CB VAL A 17 7.531 -4.031 -5.398 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.063 -3.843 -5.326 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.044 -4.360 -4.019 1.00 10.54 C ATOM 0 H VAL A 17 8.521 -6.738 -5.265 1.00 8.99 H new ATOM 0 HA VAL A 17 7.530 -5.014 -7.321 1.00 8.85 H new ATOM 0 HB VAL A 17 7.899 -3.085 -5.795 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.831 -3.064 -4.600 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.685 -3.550 -6.306 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.591 -4.777 -5.020 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.679 -3.618 -3.309 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.690 -5.348 -3.725 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.134 -4.352 -4.025 1.00 10.54 H new ATOM 287 N GLU A 18 9.782 -3.615 -7.181 1.00 7.29 N ATOM 288 CA GLU A 18 11.059 -2.934 -7.066 1.00 7.08 C ATOM 289 C GLU A 18 11.003 -1.735 -6.055 1.00 6.45 C ATOM 290 O GLU A 18 9.911 -1.221 -5.837 1.00 5.28 O ATOM 291 CB GLU A 18 11.529 -2.421 -8.438 1.00 10.28 C ATOM 292 CG GLU A 18 11.722 -3.590 -9.466 1.00 12.65 C ATOM 293 CD GLU A 18 12.645 -4.697 -8.981 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.781 -4.376 -8.551 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.288 -5.903 -9.149 1.00 14.33 O ATOM 0 H GLU A 18 9.079 -3.082 -7.693 1.00 7.29 H new ATOM 0 HA GLU A 18 11.770 -3.667 -6.685 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.800 -1.711 -8.829 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.469 -1.882 -8.321 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.748 -4.020 -9.698 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.120 -3.181 -10.395 1.00 12.65 H new ATOM 302 N PRO A 19 12.111 -1.263 -5.470 1.00 7.24 N ATOM 303 CA PRO A 19 11.973 -0.169 -4.551 1.00 7.07 C ATOM 304 C PRO A 19 11.665 1.138 -5.171 1.00 6.65 C ATOM 305 O PRO A 19 11.276 2.062 -4.433 1.00 6.37 O ATOM 306 CB PRO A 19 13.409 -0.079 -3.920 1.00 7.61 C ATOM 307 CG PRO A 19 14.379 -0.697 -5.004 1.00 8.16 C ATOM 308 CD PRO A 19 13.497 -1.787 -5.555 1.00 7.49 C ATOM 0 HA PRO A 19 11.143 -0.354 -3.870 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.676 0.954 -3.696 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.462 -0.633 -2.983 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.670 0.028 -5.764 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.298 -1.086 -4.567 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.764 -2.023 -6.585 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.604 -2.706 -4.979 1.00 7.49 H new ATOM 316 N SER A 20 11.837 1.217 -6.442 1.00 6.80 N ATOM 317 CA SER A 20 11.460 2.341 -7.232 1.00 6.28 C ATOM 318 C SER A 20 9.954 2.437 -7.515 1.00 8.45 C ATOM 319 O SER A 20 9.492 3.497 -7.805 1.00 7.26 O ATOM 320 CB SER A 20 12.211 2.203 -8.643 1.00 8.57 C ATOM 321 OG SER A 20 12.026 0.886 -9.134 1.00 11.13 O ATOM 0 H SER A 20 12.263 0.468 -6.987 1.00 6.80 H new ATOM 0 HA SER A 20 11.733 3.235 -6.672 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.816 2.929 -9.353 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.274 2.416 -8.527 1.00 8.57 H new ATOM 0 HG SER A 20 12.480 0.792 -9.997 1.00 11.13 H new ATOM 327 N ASP A 21 9.168 1.316 -7.363 1.00 7.50 N ATOM 328 CA ASP A 21 7.718 1.246 -7.471 1.00 7.70 C ATOM 329 C ASP A 21 7.041 2.226 -6.479 1.00 7.08 C ATOM 330 O ASP A 21 7.437 2.399 -5.303 1.00 8.11 O ATOM 331 CB ASP A 21 7.061 -0.127 -7.377 1.00 11.00 C ATOM 332 CG ASP A 21 7.484 -0.917 -8.597 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.475 -0.372 -9.732 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.817 -2.119 -8.465 1.00 18.03 O ATOM 0 H ASP A 21 9.579 0.406 -7.152 1.00 7.50 H new ATOM 0 HA ASP A 21 7.546 1.540 -8.507 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.368 -0.637 -6.464 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.976 -0.031 -7.339 1.00 11.00 H new ATOM 339 N THR A 22 6.014 2.927 -6.996 1.00 5.37 N ATOM 340 CA THR A 22 5.271 3.891 -6.222 1.00 6.01 C ATOM 341 C THR A 22 4.221 3.213 -5.448 1.00 8.01 C ATOM 342 O THR A 22 3.864 2.070 -5.677 1.00 8.11 O ATOM 343 CB THR A 22 4.675 5.062 -6.926 1.00 8.92 C ATOM 344 OG1 THR A 22 3.679 4.683 -7.902 1.00 10.22 O ATOM 345 CG2 THR A 22 5.813 5.917 -7.535 1.00 9.65 C ATOM 0 H THR A 22 5.692 2.829 -7.959 1.00 5.37 H new ATOM 0 HA THR A 22 6.046 4.336 -5.598 1.00 6.01 H new ATOM 0 HB THR A 22 4.132 5.666 -6.199 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.075 4.063 -8.550 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.386 6.776 -8.052 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.473 6.264 -6.740 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.382 5.314 -8.242 1.00 9.65 H new ATOM 353 N ILE A 23 3.597 3.983 -4.540 1.00 8.32 N ATOM 354 CA ILE A 23 2.451 3.627 -3.837 1.00 9.92 C ATOM 355 C ILE A 23 1.269 3.519 -4.813 1.00 10.01 C ATOM 356 O ILE A 23 0.470 2.614 -4.645 1.00 8.71 O ATOM 357 CB ILE A 23 2.186 4.617 -2.668 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.420 4.757 -1.720 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.910 4.147 -1.881 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.819 3.463 -1.090 1.00 12.30 C ATOM 0 H ILE A 23 3.934 4.914 -4.296 1.00 8.32 H new ATOM 0 HA ILE A 23 2.588 2.649 -3.375 1.00 9.92 H new ATOM 0 HB ILE A 23 2.012 5.609 -3.085 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.263 5.155 -2.285 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.191 5.481 -0.938 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.716 4.835 -1.059 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.052 4.134 -2.553 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.076 3.145 -1.484 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.681 3.624 -0.443 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.989 3.075 -0.499 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.078 2.744 -1.868 1.00 12.30 H new ATOM 372 N GLU A 24 1.138 4.345 -5.863 1.00 9.54 N ATOM 373 CA GLU A 24 0.251 4.126 -6.983 1.00 11.81 C ATOM 374 C GLU A 24 0.357 2.732 -7.675 1.00 11.14 C ATOM 375 O GLU A 24 -0.625 2.052 -7.905 1.00 10.62 O ATOM 376 CB GLU A 24 0.390 5.274 -8.037 1.00 19.24 C ATOM 377 CG GLU A 24 -0.675 5.280 -9.106 1.00 27.76 C ATOM 378 CD GLU A 24 -0.580 6.483 -10.062 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.536 6.685 -10.609 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.596 7.169 -10.364 1.00 36.51 O ATOM 0 H GLU A 24 1.672 5.210 -5.944 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.745 4.137 -6.540 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.369 6.231 -7.516 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.366 5.193 -8.516 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.602 4.359 -9.685 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.656 5.281 -8.630 1.00 27.76 H new ATOM 387 N ASN A 25 1.596 2.276 -7.912 1.00 9.43 N ATOM 388 CA ASN A 25 1.829 0.897 -8.446 1.00 10.96 C ATOM 389 C ASN A 25 1.451 -0.209 -7.462 1.00 9.68 C ATOM 390 O ASN A 25 0.995 -1.268 -7.874 1.00 9.33 O ATOM 391 CB ASN A 25 3.374 0.705 -8.892 1.00 16.78 C ATOM 392 CG ASN A 25 3.899 1.769 -9.919 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.878 2.507 -9.808 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.050 1.912 -10.932 1.00 24.70 N ATOM 0 H ASN A 25 2.445 2.817 -7.751 1.00 9.43 H new ATOM 0 HA ASN A 25 1.172 0.803 -9.311 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.002 0.740 -8.001 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.491 -0.288 -9.326 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.206 2.640 -11.629 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.243 1.294 -11.012 1.00 24.70 H new ATOM 401 N VAL A 26 1.714 -0.005 -6.152 1.00 6.52 N ATOM 402 CA VAL A 26 1.359 -0.924 -5.079 1.00 5.53 C ATOM 403 C VAL A 26 -0.199 -1.003 -4.976 1.00 4.42 C ATOM 404 O VAL A 26 -0.728 -2.103 -5.061 1.00 3.40 O ATOM 405 CB VAL A 26 2.066 -0.435 -3.771 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.684 -1.246 -2.494 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.591 -0.602 -3.923 1.00 8.12 C ATOM 0 H VAL A 26 2.193 0.831 -5.816 1.00 6.52 H new ATOM 0 HA VAL A 26 1.702 -1.941 -5.267 1.00 5.53 H new ATOM 0 HB VAL A 26 1.744 0.599 -3.644 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.217 -0.842 -1.633 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.610 -1.171 -2.323 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.957 -2.292 -2.632 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.087 -0.262 -3.014 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.827 -1.652 -4.094 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.939 -0.010 -4.769 1.00 8.12 H new ATOM 417 N LYS A 27 -0.899 0.141 -4.958 1.00 2.64 N ATOM 418 CA LYS A 27 -2.370 0.204 -5.136 1.00 4.14 C ATOM 419 C LYS A 27 -2.951 -0.463 -6.337 1.00 5.58 C ATOM 420 O LYS A 27 -3.915 -1.252 -6.188 1.00 4.11 O ATOM 421 CB LYS A 27 -2.926 1.625 -4.918 1.00 3.97 C ATOM 422 CG LYS A 27 -2.809 2.273 -3.522 1.00 7.45 C ATOM 423 CD LYS A 27 -3.604 3.548 -3.283 1.00 9.02 C ATOM 424 CE LYS A 27 -3.092 4.786 -4.013 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.970 5.909 -3.814 1.00 15.47 N ATOM 0 H LYS A 27 -0.466 1.054 -4.820 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.728 -0.437 -4.330 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.428 2.285 -5.629 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.983 1.608 -5.185 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.118 1.537 -2.780 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.757 2.490 -3.336 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.638 3.373 -3.582 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.612 3.756 -2.213 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.093 5.035 -3.656 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.006 4.573 -5.079 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.467 6.789 -4.049 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.803 5.812 -4.429 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.275 5.939 -2.820 1.00 15.47 H new ATOM 439 N ALA A 28 -2.302 -0.359 -7.475 1.00 6.61 N ATOM 440 CA ALA A 28 -2.580 -1.027 -8.695 1.00 7.74 C ATOM 441 C ALA A 28 -2.531 -2.588 -8.610 1.00 9.17 C ATOM 442 O ALA A 28 -3.443 -3.263 -9.061 1.00 11.45 O ATOM 443 CB ALA A 28 -1.732 -0.467 -9.853 1.00 7.68 C ATOM 0 H ALA A 28 -1.493 0.257 -7.561 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.625 -0.807 -8.914 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.972 -1.003 -10.772 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.950 0.593 -9.984 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.674 -0.595 -9.624 1.00 7.68 H new ATOM 449 N LYS A 29 -1.605 -3.147 -7.801 1.00 8.96 N ATOM 450 CA LYS A 29 -1.587 -4.590 -7.475 1.00 7.90 C ATOM 451 C LYS A 29 -2.686 -5.089 -6.595 1.00 6.92 C ATOM 452 O LYS A 29 -3.154 -6.201 -6.777 1.00 6.87 O ATOM 453 CB LYS A 29 -0.188 -4.914 -6.860 1.00 10.28 C ATOM 454 CG LYS A 29 0.905 -4.592 -7.914 1.00 14.94 C ATOM 455 CD LYS A 29 2.298 -5.165 -7.408 1.00 19.69 C ATOM 456 CE LYS A 29 3.467 -4.684 -8.218 1.00 22.63 C ATOM 457 NZ LYS A 29 3.353 -4.950 -9.672 1.00 24.98 N ATOM 0 H LYS A 29 -0.855 -2.616 -7.359 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.768 -5.122 -8.409 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.027 -4.326 -5.957 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.136 -5.964 -6.570 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.643 -5.034 -8.875 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.974 -3.515 -8.067 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.444 -4.879 -6.366 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.268 -6.254 -7.438 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.583 -3.611 -8.065 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.374 -5.159 -7.844 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.206 -4.603 -10.156 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.256 -5.973 -9.831 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.517 -4.460 -10.050 1.00 24.98 H new ATOM 471 N ILE A 30 -3.259 -4.199 -5.694 1.00 4.57 N ATOM 472 CA ILE A 30 -4.318 -4.568 -4.824 1.00 5.58 C ATOM 473 C ILE A 30 -5.622 -4.408 -5.511 1.00 7.26 C ATOM 474 O ILE A 30 -6.593 -5.070 -5.208 1.00 9.46 O ATOM 475 CB ILE A 30 -4.241 -3.805 -3.541 1.00 5.36 C ATOM 476 CG1 ILE A 30 -3.061 -4.225 -2.627 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.571 -3.776 -2.685 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.948 -5.746 -2.143 1.00 2.00 C ATOM 0 H ILE A 30 -2.962 -3.228 -5.596 1.00 4.57 H new ATOM 0 HA ILE A 30 -4.220 -5.622 -4.563 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.067 -2.792 -3.903 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.137 -3.978 -3.151 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.099 -3.599 -1.735 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.406 -3.197 -1.776 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.369 -3.316 -3.268 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.855 -4.794 -2.420 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -2.066 -5.863 -1.513 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.838 -6.014 -1.574 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.862 -6.399 -3.012 1.00 2.00 H new ATOM 490 N GLN A 31 -5.717 -3.607 -6.634 1.00 7.06 N ATOM 491 CA GLN A 31 -6.830 -3.666 -7.552 1.00 8.67 C ATOM 492 C GLN A 31 -6.981 -4.972 -8.312 1.00 10.90 C ATOM 493 O GLN A 31 -8.096 -5.485 -8.504 1.00 9.63 O ATOM 494 CB GLN A 31 -6.841 -2.472 -8.542 1.00 9.12 C ATOM 495 CG GLN A 31 -8.013 -2.407 -9.482 1.00 10.76 C ATOM 496 CD GLN A 31 -7.824 -1.424 -10.686 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.821 -1.444 -11.413 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.788 -0.501 -10.851 1.00 14.76 N ATOM 0 H GLN A 31 -5.009 -2.920 -6.892 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.697 -3.602 -6.895 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.811 -1.547 -7.966 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.927 -2.508 -9.134 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.206 -3.406 -9.872 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.898 -2.108 -8.920 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.606 -0.503 -10.241 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.702 0.201 -11.586 1.00 14.76 H new ATOM 507 N ASP A 32 -5.849 -5.547 -8.791 1.00 10.93 N ATOM 508 CA ASP A 32 -5.820 -6.826 -9.488 1.00 14.01 C ATOM 509 C ASP A 32 -6.117 -8.061 -8.615 1.00 14.04 C ATOM 510 O ASP A 32 -6.863 -8.929 -8.995 1.00 13.39 O ATOM 511 CB ASP A 32 -4.417 -6.916 -10.227 1.00 18.01 C ATOM 512 CG ASP A 32 -4.140 -8.212 -10.897 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.796 -8.480 -11.907 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.289 -8.992 -10.466 1.00 26.29 O ATOM 0 H ASP A 32 -4.928 -5.118 -8.695 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.645 -6.851 -10.200 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.364 -6.121 -10.971 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.628 -6.725 -9.500 1.00 18.01 H new ATOM 519 N LYS A 33 -5.529 -8.058 -7.367 1.00 14.22 N ATOM 520 CA LYS A 33 -5.732 -9.099 -6.368 1.00 14.00 C ATOM 521 C LYS A 33 -7.109 -9.005 -5.742 1.00 12.37 C ATOM 522 O LYS A 33 -7.808 -10.007 -5.705 1.00 12.17 O ATOM 523 CB LYS A 33 -4.628 -9.050 -5.259 1.00 18.62 C ATOM 524 CG LYS A 33 -3.256 -9.589 -5.751 1.00 24.00 C ATOM 525 CD LYS A 33 -2.287 -9.694 -4.584 1.00 27.61 C ATOM 526 CE LYS A 33 -0.918 -10.258 -4.895 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.992 -11.637 -5.435 1.00 30.06 N ATOM 0 H LYS A 33 -4.903 -7.316 -7.054 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.656 -10.056 -6.884 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.508 -8.022 -4.917 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.956 -9.635 -4.400 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.386 -10.567 -6.215 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.848 -8.926 -6.514 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.158 -8.700 -4.157 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.745 -10.315 -3.814 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.416 -9.613 -5.616 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.311 -10.256 -3.989 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.030 -12.003 -5.586 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.493 -12.248 -4.759 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.505 -11.629 -6.340 1.00 30.06 H new ATOM 541 N GLU A 34 -7.478 -7.829 -5.199 1.00 10.11 N ATOM 542 CA GLU A 34 -8.605 -7.633 -4.236 1.00 10.07 C ATOM 543 C GLU A 34 -9.756 -6.816 -4.770 1.00 9.32 C ATOM 544 O GLU A 34 -10.789 -6.697 -4.111 1.00 11.61 O ATOM 545 CB GLU A 34 -8.191 -6.812 -2.950 1.00 14.77 C ATOM 546 CG GLU A 34 -7.057 -7.470 -2.088 1.00 18.75 C ATOM 547 CD GLU A 34 -7.511 -8.711 -1.384 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.317 -8.652 -0.440 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.079 -9.815 -1.797 1.00 25.19 O ATOM 0 H GLU A 34 -6.994 -6.958 -5.417 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.886 -8.666 -4.031 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.864 -5.819 -3.259 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.072 -6.676 -2.323 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.211 -7.711 -2.732 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.702 -6.749 -1.352 1.00 18.75 H new ATOM 556 N GLY A 35 -9.630 -6.304 -6.030 1.00 7.22 N ATOM 557 CA GLY A 35 -10.697 -5.654 -6.817 1.00 6.29 C ATOM 558 C GLY A 35 -11.051 -4.246 -6.385 1.00 6.93 C ATOM 559 O GLY A 35 -11.959 -3.582 -6.854 1.00 7.41 O ATOM 0 H GLY A 35 -8.745 -6.339 -6.535 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.391 -5.630 -7.863 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.594 -6.270 -6.761 1.00 6.29 H new ATOM 563 N ILE A 36 -10.276 -3.757 -5.403 1.00 5.86 N ATOM 564 CA ILE A 36 -10.497 -2.508 -4.677 1.00 6.07 C ATOM 565 C ILE A 36 -10.047 -1.285 -5.456 1.00 6.36 C ATOM 566 O ILE A 36 -8.846 -1.248 -5.765 1.00 6.18 O ATOM 567 CB ILE A 36 -9.849 -2.558 -3.281 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.249 -3.830 -2.482 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.303 -1.344 -2.529 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.506 -3.911 -1.160 1.00 9.49 C ATOM 0 H ILE A 36 -9.441 -4.249 -5.083 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.575 -2.407 -4.549 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.766 -2.585 -3.402 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.323 -3.823 -2.297 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.034 -4.718 -3.077 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.862 -1.347 -1.532 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.989 -0.447 -3.062 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.390 -1.354 -2.444 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.809 -4.812 -0.627 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.433 -3.944 -1.347 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.742 -3.035 -0.556 1.00 9.49 H new ATOM 582 N PRO A 37 -10.903 -0.301 -5.759 1.00 8.65 N ATOM 583 CA PRO A 37 -10.493 0.954 -6.391 1.00 9.18 C ATOM 584 C PRO A 37 -9.277 1.619 -5.764 1.00 9.85 C ATOM 585 O PRO A 37 -9.337 1.905 -4.614 1.00 8.51 O ATOM 586 CB PRO A 37 -11.696 1.866 -6.297 1.00 11.42 C ATOM 587 CG PRO A 37 -12.790 0.794 -6.571 1.00 9.27 C ATOM 588 CD PRO A 37 -12.375 -0.440 -5.769 1.00 8.33 C ATOM 0 HA PRO A 37 -10.181 0.748 -7.415 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.797 2.340 -5.320 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.685 2.664 -7.039 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.772 1.150 -6.261 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.855 0.565 -7.635 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.795 -0.436 -4.763 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.697 -1.366 -6.245 1.00 8.33 H new ATOM 596 N PRO A 38 -8.188 2.096 -6.461 1.00 8.71 N ATOM 597 CA PRO A 38 -7.055 2.811 -5.844 1.00 9.08 C ATOM 598 C PRO A 38 -7.419 4.105 -5.070 1.00 9.28 C ATOM 599 O PRO A 38 -6.815 4.427 -4.061 1.00 6.50 O ATOM 600 CB PRO A 38 -6.060 2.963 -6.974 1.00 10.31 C ATOM 601 CG PRO A 38 -6.377 1.779 -7.918 1.00 10.81 C ATOM 602 CD PRO A 38 -7.866 1.619 -7.793 1.00 12.00 C ATOM 0 HA PRO A 38 -6.625 2.250 -5.014 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.177 3.920 -7.482 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.034 2.919 -6.610 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.081 1.994 -8.945 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.849 0.874 -7.617 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.390 2.196 -8.555 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.163 0.578 -7.921 1.00 12.00 H new ATOM 610 N ASP A 39 -8.544 4.729 -5.469 1.00 11.20 N ATOM 611 CA ASP A 39 -9.009 5.851 -4.726 1.00 14.96 C ATOM 612 C ASP A 39 -9.590 5.526 -3.372 1.00 13.99 C ATOM 613 O ASP A 39 -9.585 6.393 -2.480 1.00 13.75 O ATOM 614 CB ASP A 39 -10.179 6.420 -5.614 1.00 24.16 C ATOM 615 CG ASP A 39 -10.437 7.870 -5.204 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.556 8.715 -5.389 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.593 8.209 -4.747 1.00 34.22 O ATOM 0 H ASP A 39 -9.110 4.467 -6.276 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.172 6.522 -4.530 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.914 6.366 -6.670 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.081 5.822 -5.481 1.00 24.16 H new ATOM 622 N GLN A 40 -9.952 4.246 -3.133 1.00 11.60 N ATOM 623 CA GLN A 40 -10.663 3.807 -1.934 1.00 10.76 C ATOM 624 C GLN A 40 -9.696 3.119 -0.941 1.00 8.01 C ATOM 625 O GLN A 40 -10.003 2.675 0.208 1.00 8.96 O ATOM 626 CB GLN A 40 -11.739 2.780 -2.336 1.00 11.14 C ATOM 627 CG GLN A 40 -12.903 2.573 -1.266 1.00 14.85 C ATOM 628 CD GLN A 40 -13.850 1.456 -1.712 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.999 0.410 -1.045 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.689 1.744 -2.744 1.00 18.16 N ATOM 0 H GLN A 40 -9.751 3.486 -3.783 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.109 4.681 -1.460 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.185 3.093 -3.280 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.255 1.820 -2.515 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.473 2.327 -0.295 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.460 3.502 -1.142 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.560 2.600 -3.283 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.447 1.104 -2.979 1.00 18.16 H new ATOM 639 N GLN A 41 -8.366 2.928 -1.372 1.00 6.52 N ATOM 640 CA GLN A 41 -7.315 2.335 -0.595 1.00 3.87 C ATOM 641 C GLN A 41 -6.433 3.407 0.142 1.00 4.79 C ATOM 642 O GLN A 41 -5.887 4.320 -0.468 1.00 6.34 O ATOM 643 CB GLN A 41 -6.409 1.580 -1.579 1.00 4.20 C ATOM 644 CG GLN A 41 -7.120 0.612 -2.482 1.00 3.20 C ATOM 645 CD GLN A 41 -6.132 -0.249 -3.241 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.040 -0.562 -2.765 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.430 -0.645 -4.523 1.00 7.13 N ATOM 0 H GLN A 41 -8.054 3.211 -2.301 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.761 1.692 0.164 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.881 2.308 -2.195 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.654 1.036 -1.011 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.782 -0.022 -1.892 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.747 1.159 -3.186 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.328 -0.397 -4.938 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.753 -1.187 -5.060 1.00 7.13 H new ATOM 656 N ARG A 42 -6.332 3.329 1.482 1.00 5.73 N ATOM 657 CA ARG A 42 -5.388 4.037 2.265 1.00 6.97 C ATOM 658 C ARG A 42 -4.388 3.071 2.891 1.00 7.15 C ATOM 659 O ARG A 42 -4.626 1.924 3.325 1.00 7.33 O ATOM 660 CB ARG A 42 -6.141 4.773 3.357 1.00 13.23 C ATOM 661 CG ARG A 42 -7.096 5.865 2.908 1.00 21.27 C ATOM 662 CD ARG A 42 -7.448 6.795 4.087 1.00 26.14 C ATOM 663 NE ARG A 42 -8.447 7.756 3.462 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.603 8.112 4.051 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.232 7.480 5.031 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.194 9.212 3.598 1.00 36.39 N ATOM 0 H ARG A 42 -6.947 2.737 2.041 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.838 4.740 1.639 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.707 4.041 3.933 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.411 5.216 4.035 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.643 6.444 2.103 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.005 5.418 2.506 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.882 6.245 4.922 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.570 7.315 4.470 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.229 8.152 2.548 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.839 6.622 5.419 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.109 7.851 5.397 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.769 9.743 2.838 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.073 9.526 4.010 1.00 36.39 H new ATOM 680 N LEU A 43 -3.138 3.572 2.967 1.00 4.65 N ATOM 681 CA LEU A 43 -1.992 2.766 3.433 1.00 3.51 C ATOM 682 C LEU A 43 -1.243 3.463 4.566 1.00 5.56 C ATOM 683 O LEU A 43 -1.107 4.699 4.494 1.00 4.19 O ATOM 684 CB LEU A 43 -0.968 2.433 2.330 1.00 3.74 C ATOM 685 CG LEU A 43 -1.413 1.226 1.385 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.462 1.151 0.217 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.472 -0.122 2.059 1.00 6.41 C ATOM 0 H LEU A 43 -2.897 4.530 2.712 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.441 1.834 3.776 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.804 3.320 1.718 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.014 2.186 2.795 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.434 1.446 1.075 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.754 0.330 -0.438 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.494 2.088 -0.339 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.551 0.981 0.583 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.784 -0.877 1.337 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.487 -0.377 2.449 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.189 -0.087 2.880 1.00 6.41 H new ATOM 699 N ILE A 44 -0.962 2.699 5.637 1.00 4.58 N ATOM 700 CA ILE A 44 -0.366 3.157 6.881 1.00 5.55 C ATOM 701 C ILE A 44 0.883 2.366 7.100 1.00 5.46 C ATOM 702 O ILE A 44 1.022 1.114 6.904 1.00 6.04 O ATOM 703 CB ILE A 44 -1.377 3.037 8.027 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.530 3.977 7.699 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.661 3.408 9.319 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.674 4.062 8.744 1.00 13.90 C ATOM 0 H ILE A 44 -1.158 1.698 5.647 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.098 4.213 6.837 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.777 2.030 8.150 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.124 4.978 7.556 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.961 3.669 6.746 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.356 3.332 10.155 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.175 2.728 9.480 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.289 4.430 9.248 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.433 4.763 8.396 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.122 3.077 8.874 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.272 4.406 9.697 1.00 13.90 H new ATOM 718 N PHE A 45 1.882 3.085 7.528 1.00 6.75 N ATOM 719 CA PHE A 45 3.193 2.613 7.851 1.00 4.70 C ATOM 720 C PHE A 45 3.810 3.669 8.774 1.00 6.34 C ATOM 721 O PHE A 45 3.551 4.798 8.593 1.00 5.45 O ATOM 722 CB PHE A 45 3.949 2.329 6.532 1.00 5.51 C ATOM 723 CG PHE A 45 5.387 2.046 6.749 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.801 0.787 7.262 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.324 3.007 6.397 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.197 0.594 7.392 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.665 2.754 6.303 1.00 6.64 C ATOM 728 CZ PHE A 45 8.132 1.534 6.925 1.00 6.84 C ATOM 0 H PHE A 45 1.791 4.091 7.670 1.00 6.75 H new ATOM 0 HA PHE A 45 3.221 1.666 8.391 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.487 1.480 6.029 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.848 3.187 5.867 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.091 0.021 7.537 1.00 6.86 H new ATOM 0 HD2 PHE A 45 5.976 4.007 6.186 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.557 -0.307 7.867 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.338 3.427 5.793 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.191 1.347 7.030 1.00 6.84 H new ATOM 738 N ALA A 46 4.605 3.243 9.812 1.00 6.53 N ATOM 739 CA ALA A 46 5.339 4.061 10.732 1.00 7.15 C ATOM 740 C ALA A 46 4.518 5.150 11.317 1.00 9.00 C ATOM 741 O ALA A 46 4.936 6.312 11.374 1.00 11.15 O ATOM 742 CB ALA A 46 6.538 4.621 10.034 1.00 8.99 C ATOM 0 H ALA A 46 4.731 2.249 10.006 1.00 6.53 H new ATOM 0 HA ALA A 46 5.648 3.432 11.567 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.103 5.245 10.726 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.169 3.804 9.683 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.216 5.222 9.183 1.00 8.99 H new ATOM 748 N GLY A 47 3.224 4.930 11.708 1.00 9.35 N ATOM 749 CA GLY A 47 2.308 6.000 12.249 1.00 11.68 C ATOM 750 C GLY A 47 1.960 7.064 11.273 1.00 11.14 C ATOM 751 O GLY A 47 1.696 8.195 11.613 1.00 13.93 O ATOM 0 H GLY A 47 2.783 4.011 11.659 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.389 5.531 12.599 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.781 6.461 13.116 1.00 11.68 H new ATOM 755 N LYS A 48 2.200 6.830 10.006 1.00 10.47 N ATOM 756 CA LYS A 48 2.027 7.750 8.940 1.00 8.82 C ATOM 757 C LYS A 48 1.323 7.099 7.730 1.00 7.68 C ATOM 758 O LYS A 48 1.167 5.906 7.602 1.00 6.47 O ATOM 759 CB LYS A 48 3.333 8.436 8.528 1.00 9.74 C ATOM 760 CG LYS A 48 4.342 7.662 7.627 1.00 14.14 C ATOM 761 CD LYS A 48 5.578 8.486 7.108 1.00 16.32 C ATOM 762 CE LYS A 48 6.802 8.633 7.994 1.00 20.04 C ATOM 763 NZ LYS A 48 7.686 9.725 7.629 1.00 23.92 N ATOM 0 H LYS A 48 2.545 5.925 9.685 1.00 10.47 H new ATOM 0 HA LYS A 48 1.373 8.535 9.320 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.071 9.359 8.011 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.857 8.720 9.440 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.713 6.803 8.186 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.802 7.272 6.764 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.904 8.032 6.173 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.225 9.489 6.869 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.474 8.778 9.023 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.367 7.701 7.968 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.493 9.752 8.284 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.032 9.582 6.659 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.167 10.625 7.682 1.00 23.92 H new ATOM 777 N GLN A 49 0.863 8.020 6.815 1.00 8.89 N ATOM 778 CA GLN A 49 0.192 7.555 5.640 1.00 7.18 C ATOM 779 C GLN A 49 1.076 7.676 4.420 1.00 8.23 C ATOM 780 O GLN A 49 2.067 8.430 4.440 1.00 9.70 O ATOM 781 CB GLN A 49 -1.044 8.486 5.444 1.00 11.67 C ATOM 782 CG GLN A 49 -2.300 8.085 6.307 1.00 15.82 C ATOM 783 CD GLN A 49 -3.497 9.014 6.150 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.415 8.830 5.369 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.525 10.038 7.073 1.00 20.67 N ATOM 0 H GLN A 49 0.958 9.032 6.898 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.082 6.506 5.757 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.758 9.508 5.693 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.325 8.481 4.391 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.603 7.074 6.036 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.010 8.061 7.358 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.743 10.168 7.714 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.328 10.665 7.115 1.00 20.67 H new ATOM 794 N LEU A 50 0.674 6.863 3.348 1.00 6.51 N ATOM 795 CA LEU A 50 1.456 6.848 2.146 1.00 7.41 C ATOM 796 C LEU A 50 0.740 7.475 1.006 1.00 8.27 C ATOM 797 O LEU A 50 -0.376 7.129 0.600 1.00 8.34 O ATOM 798 CB LEU A 50 1.847 5.405 1.795 1.00 7.13 C ATOM 799 CG LEU A 50 2.444 4.697 3.030 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.811 3.254 2.602 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.640 5.443 3.609 1.00 9.11 C ATOM 0 H LEU A 50 -0.150 6.262 3.344 1.00 6.51 H new ATOM 0 HA LEU A 50 2.354 7.437 2.330 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.972 4.859 1.442 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.572 5.405 0.981 1.00 7.13 H new ATOM 0 HG LEU A 50 1.710 4.678 3.835 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.238 2.720 3.451 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.914 2.736 2.261 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.540 3.289 1.792 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.021 4.902 4.475 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.423 5.517 2.854 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.333 6.444 3.912 1.00 9.11 H new ATOM 813 N GLU A 51 1.358 8.505 0.386 1.00 9.43 N ATOM 814 CA GLU A 51 0.765 9.320 -0.640 1.00 11.90 C ATOM 815 C GLU A 51 1.234 8.806 -1.975 1.00 11.49 C ATOM 816 O GLU A 51 2.291 8.139 -2.032 1.00 9.88 O ATOM 817 CB GLU A 51 1.111 10.828 -0.372 1.00 16.56 C ATOM 818 CG GLU A 51 0.402 11.199 0.940 1.00 26.06 C ATOM 819 CD GLU A 51 0.384 12.723 1.115 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.037 13.555 0.261 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.669 13.123 2.292 1.00 33.44 O ATOM 0 H GLU A 51 2.314 8.782 0.610 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.323 9.260 -0.637 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.188 10.972 -0.288 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.768 11.459 -1.192 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.618 10.814 0.933 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.913 10.734 1.783 1.00 26.06 H new ATOM 828 N ASP A 52 0.407 8.946 -3.043 1.00 12.71 N ATOM 829 CA ASP A 52 0.393 8.129 -4.276 1.00 16.56 C ATOM 830 C ASP A 52 1.673 8.133 -5.063 1.00 15.83 C ATOM 831 O ASP A 52 2.167 7.103 -5.493 1.00 17.21 O ATOM 832 CB ASP A 52 -0.799 8.652 -5.169 1.00 21.05 C ATOM 833 CG ASP A 52 -2.083 8.916 -4.414 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.064 9.950 -3.671 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.129 8.262 -4.629 1.00 25.82 O ATOM 0 H ASP A 52 -0.307 9.674 -3.064 1.00 12.71 H new ATOM 0 HA ASP A 52 0.268 7.089 -3.976 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.488 9.572 -5.664 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.997 7.920 -5.952 1.00 21.05 H new ATOM 840 N GLY A 53 2.384 9.329 -5.208 1.00 15.00 N ATOM 841 CA GLY A 53 3.528 9.579 -6.041 1.00 11.77 C ATOM 842 C GLY A 53 4.777 9.055 -5.461 1.00 11.10 C ATOM 843 O GLY A 53 5.754 8.953 -6.171 1.00 11.25 O ATOM 0 H GLY A 53 2.111 10.164 -4.689 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.367 9.125 -7.019 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.629 10.652 -6.201 1.00 11.77 H new ATOM 847 N ARG A 54 4.915 8.748 -4.177 1.00 8.53 N ATOM 848 CA ARG A 54 6.142 8.517 -3.482 1.00 9.05 C ATOM 849 C ARG A 54 6.464 7.111 -3.780 1.00 8.96 C ATOM 850 O ARG A 54 5.602 6.291 -4.138 1.00 11.60 O ATOM 851 CB ARG A 54 6.005 8.696 -1.983 1.00 7.97 C ATOM 852 CG ARG A 54 5.905 10.194 -1.511 1.00 9.62 C ATOM 853 CD ARG A 54 7.057 10.675 -0.715 1.00 12.20 C ATOM 854 NE ARG A 54 6.745 12.069 -0.208 1.00 18.23 N ATOM 855 CZ ARG A 54 7.652 12.908 0.294 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.969 12.643 0.235 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.158 14.054 0.721 1.00 23.38 N ATOM 0 H ARG A 54 4.105 8.651 -3.565 1.00 8.53 H new ATOM 0 HA ARG A 54 6.908 9.225 -3.797 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.117 8.162 -1.646 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.861 8.231 -1.495 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.798 10.830 -2.390 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.998 10.313 -0.919 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.247 10.002 0.121 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.960 10.688 -1.325 1.00 12.20 H new ATOM 0 HE ARG A 54 5.777 12.387 -0.254 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.297 11.782 -0.202 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.640 13.303 0.627 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.157 14.235 0.651 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.777 14.759 1.121 1.00 23.38 H new ATOM 871 N THR A 55 7.818 6.803 -3.751 1.00 9.05 N ATOM 872 CA THR A 55 8.492 5.499 -3.853 1.00 9.03 C ATOM 873 C THR A 55 8.643 4.729 -2.551 1.00 8.15 C ATOM 874 O THR A 55 8.708 5.335 -1.459 1.00 5.91 O ATOM 875 CB THR A 55 9.832 5.451 -4.531 1.00 11.15 C ATOM 876 OG1 THR A 55 10.812 5.972 -3.664 1.00 11.95 O ATOM 877 CG2 THR A 55 9.970 6.220 -5.793 1.00 11.71 C ATOM 0 H THR A 55 8.503 7.551 -3.645 1.00 9.05 H new ATOM 0 HA THR A 55 7.760 5.022 -4.505 1.00 9.03 H new ATOM 0 HB THR A 55 9.950 4.396 -4.779 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.670 5.531 -3.837 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.982 6.104 -6.181 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.255 5.847 -6.526 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.775 7.275 -5.600 1.00 11.71 H new ATOM 885 N LEU A 56 8.712 3.379 -2.629 1.00 6.91 N ATOM 886 CA LEU A 56 9.095 2.589 -1.484 1.00 8.29 C ATOM 887 C LEU A 56 10.467 3.014 -0.918 1.00 8.05 C ATOM 888 O LEU A 56 10.640 3.228 0.293 1.00 10.17 O ATOM 889 CB LEU A 56 8.892 1.041 -1.843 1.00 6.60 C ATOM 890 CG LEU A 56 7.501 0.568 -2.428 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.612 -0.711 -3.205 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.440 0.586 -1.303 1.00 8.64 C ATOM 0 H LEU A 56 8.506 2.840 -3.470 1.00 6.91 H new ATOM 0 HA LEU A 56 8.444 2.777 -0.630 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.663 0.766 -2.563 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.082 0.465 -0.937 1.00 6.60 H new ATOM 0 HG LEU A 56 7.153 1.273 -3.183 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.630 -0.992 -3.585 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.298 -0.571 -4.040 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.989 -1.500 -2.555 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.480 0.260 -1.703 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.747 -0.087 -0.503 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.345 1.598 -0.909 1.00 8.64 H new ATOM 904 N SER A 57 11.438 3.309 -1.818 1.00 8.92 N ATOM 905 CA SER A 57 12.758 3.869 -1.289 1.00 9.00 C ATOM 906 C SER A 57 12.673 5.108 -0.427 1.00 9.44 C ATOM 907 O SER A 57 13.353 5.301 0.579 1.00 10.91 O ATOM 908 CB SER A 57 13.748 4.105 -2.462 1.00 10.32 C ATOM 909 OG SER A 57 13.273 4.891 -3.504 1.00 13.59 O ATOM 0 H SER A 57 11.372 3.192 -2.829 1.00 8.92 H new ATOM 0 HA SER A 57 13.119 3.096 -0.610 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.650 4.569 -2.064 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.040 3.136 -2.867 1.00 10.32 H new ATOM 0 HG SER A 57 13.968 4.981 -4.189 1.00 13.59 H new ATOM 915 N ASP A 58 11.790 5.991 -0.771 1.00 9.11 N ATOM 916 CA ASP A 58 11.698 7.313 -0.217 1.00 7.91 C ATOM 917 C ASP A 58 11.017 7.244 1.196 1.00 9.12 C ATOM 918 O ASP A 58 11.433 7.873 2.135 1.00 8.61 O ATOM 919 CB ASP A 58 10.932 8.232 -1.132 1.00 8.41 C ATOM 920 CG ASP A 58 10.995 9.737 -0.789 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.150 10.181 0.017 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.912 10.374 -1.369 1.00 11.70 O ATOM 0 H ASP A 58 11.079 5.805 -1.478 1.00 9.11 H new ATOM 0 HA ASP A 58 12.704 7.719 -0.110 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.305 8.095 -2.147 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.887 7.923 -1.132 1.00 8.41 H new ATOM 927 N TYR A 59 9.940 6.393 1.259 1.00 7.97 N ATOM 928 CA TYR A 59 9.292 6.060 2.555 1.00 8.45 C ATOM 929 C TYR A 59 10.171 5.157 3.425 1.00 10.98 C ATOM 930 O TYR A 59 9.876 5.151 4.640 1.00 12.95 O ATOM 931 CB TYR A 59 7.920 5.422 2.377 1.00 7.94 C ATOM 932 CG TYR A 59 6.845 6.407 2.018 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.610 7.395 2.990 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.006 6.267 0.909 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.661 8.335 2.806 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.016 7.218 0.826 1.00 6.52 C ATOM 937 CZ TYR A 59 4.768 8.293 1.732 1.00 6.76 C ATOM 938 OH TYR A 59 3.838 9.306 1.383 1.00 7.63 O ATOM 0 H TYR A 59 9.520 5.942 0.447 1.00 7.97 H new ATOM 0 HA TYR A 59 9.159 7.014 3.066 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.980 4.661 1.599 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.642 4.913 3.300 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.197 7.401 3.896 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.125 5.479 0.180 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.589 9.148 3.513 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.350 7.143 -0.021 1.00 6.52 H new ATOM 0 HH TYR A 59 4.192 10.180 1.649 1.00 7.63 H new ATOM 948 N ASN A 60 11.127 4.482 2.804 1.00 12.38 N ATOM 949 CA ASN A 60 12.025 3.500 3.418 1.00 13.94 C ATOM 950 C ASN A 60 11.216 2.269 3.880 1.00 14.16 C ATOM 951 O ASN A 60 11.449 1.702 4.949 1.00 14.26 O ATOM 952 CB ASN A 60 13.007 4.062 4.436 1.00 19.23 C ATOM 953 CG ASN A 60 14.209 3.161 4.714 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.764 2.475 3.891 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.676 3.196 5.959 1.00 24.09 N ATOM 0 H ASN A 60 11.311 4.607 1.809 1.00 12.38 H new ATOM 0 HA ASN A 60 12.716 3.160 2.646 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.366 5.028 4.082 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.479 4.242 5.372 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.497 2.646 6.211 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.213 3.773 6.661 1.00 24.09 H new ATOM 962 N ILE A 61 10.397 1.814 2.953 1.00 11.08 N ATOM 963 CA ILE A 61 9.733 0.478 3.015 1.00 11.78 C ATOM 964 C ILE A 61 10.666 -0.532 2.456 1.00 13.74 C ATOM 965 O ILE A 61 11.100 -0.467 1.293 1.00 14.60 O ATOM 966 CB ILE A 61 8.368 0.472 2.233 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.443 1.540 2.877 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.710 -0.923 2.318 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.272 2.037 1.969 1.00 11.42 C ATOM 0 H ILE A 61 10.156 2.348 2.118 1.00 11.08 H new ATOM 0 HA ILE A 61 9.500 0.239 4.053 1.00 11.78 H new ATOM 0 HB ILE A 61 8.536 0.702 1.181 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.021 1.128 3.794 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.050 2.399 3.163 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.766 -0.914 1.773 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.375 -1.666 1.879 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.524 -1.174 3.362 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.684 2.780 2.508 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.679 2.484 1.062 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.635 1.194 1.703 1.00 11.42 H new ATOM 981 N GLN A 62 11.061 -1.591 3.249 1.00 13.97 N ATOM 982 CA GLN A 62 12.197 -2.419 2.970 1.00 15.52 C ATOM 983 C GLN A 62 11.838 -3.867 2.738 1.00 13.94 C ATOM 984 O GLN A 62 10.719 -4.343 2.884 1.00 12.15 O ATOM 985 CB GLN A 62 13.165 -2.330 4.126 1.00 19.53 C ATOM 986 CG GLN A 62 13.867 -0.937 4.073 1.00 26.38 C ATOM 987 CD GLN A 62 14.929 -0.802 5.191 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.596 -1.056 6.347 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.173 -0.494 4.829 1.00 32.71 N ATOM 0 H GLN A 62 10.565 -1.860 4.099 1.00 13.97 H new ATOM 0 HA GLN A 62 12.643 -2.050 2.047 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.638 -2.454 5.072 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.903 -3.130 4.065 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.340 -0.802 3.100 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.123 -0.148 4.178 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.385 -0.293 3.852 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.914 -0.459 5.529 1.00 32.71 H new ATOM 998 N LYS A 63 12.846 -4.633 2.364 1.00 11.73 N ATOM 999 CA LYS A 63 12.728 -6.060 2.280 1.00 11.97 C ATOM 1000 C LYS A 63 12.209 -6.718 3.480 1.00 10.41 C ATOM 1001 O LYS A 63 12.754 -6.439 4.582 1.00 9.59 O ATOM 1002 CB LYS A 63 14.078 -6.781 1.912 1.00 13.73 C ATOM 1003 CG LYS A 63 15.336 -6.435 2.714 1.00 16.98 C ATOM 1004 CD LYS A 63 16.566 -7.083 2.109 1.00 20.19 C ATOM 1005 CE LYS A 63 17.857 -6.395 2.513 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.230 -6.609 3.916 1.00 25.97 N ATOM 0 H LYS A 63 13.767 -4.274 2.112 1.00 11.73 H new ATOM 0 HA LYS A 63 11.999 -6.169 1.477 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.914 -7.855 2.000 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.288 -6.575 0.862 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.467 -5.353 2.741 1.00 16.98 H new ATOM 0 HG3 LYS A 63 15.216 -6.767 3.745 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.607 -8.129 2.414 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.479 -7.072 1.023 1.00 20.19 H new ATOM 0 HE2 LYS A 63 18.664 -6.753 1.874 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.759 -5.325 2.332 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.120 -6.110 4.119 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.479 -6.242 4.535 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.356 -7.627 4.090 1.00 25.97 H new ATOM 1020 N GLU A 64 11.146 -7.482 3.310 1.00 10.04 N ATOM 1021 CA GLU A 64 10.452 -8.138 4.340 1.00 10.94 C ATOM 1022 C GLU A 64 9.726 -7.250 5.353 1.00 9.74 C ATOM 1023 O GLU A 64 9.402 -7.765 6.423 1.00 9.42 O ATOM 1024 CB GLU A 64 11.262 -9.235 5.053 1.00 18.31 C ATOM 1025 CG GLU A 64 11.736 -10.298 4.020 1.00 24.16 C ATOM 1026 CD GLU A 64 12.757 -11.257 4.562 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.480 -11.889 5.609 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.835 -11.405 3.958 1.00 32.61 O ATOM 0 H GLU A 64 10.742 -7.654 2.389 1.00 10.04 H new ATOM 0 HA GLU A 64 9.659 -8.624 3.771 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.123 -8.795 5.556 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.651 -9.709 5.822 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.871 -10.862 3.670 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.155 -9.787 3.153 1.00 24.16 H new ATOM 1035 N SER A 65 9.286 -6.003 4.993 1.00 6.85 N ATOM 1036 CA SER A 65 8.541 -4.987 5.848 1.00 6.90 C ATOM 1037 C SER A 65 7.075 -5.024 5.735 1.00 4.72 C ATOM 1038 O SER A 65 6.586 -5.591 4.735 1.00 3.91 O ATOM 1039 CB SER A 65 9.105 -3.612 5.507 1.00 7.28 C ATOM 1040 OG SER A 65 8.552 -2.570 6.325 1.00 10.56 O ATOM 0 H SER A 65 9.444 -5.649 4.050 1.00 6.85 H new ATOM 0 HA SER A 65 8.708 -5.241 6.895 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.188 -3.628 5.628 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.904 -3.391 4.459 1.00 7.28 H new ATOM 0 HG SER A 65 8.946 -1.710 6.069 1.00 10.56 H new ATOM 1046 N THR A 66 6.317 -4.473 6.738 1.00 4.48 N ATOM 1047 CA THR A 66 4.897 -4.550 6.799 1.00 3.80 C ATOM 1048 C THR A 66 4.151 -3.220 6.457 1.00 4.60 C ATOM 1049 O THR A 66 4.420 -2.161 7.003 1.00 5.33 O ATOM 1050 CB THR A 66 4.433 -5.067 8.171 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.844 -6.483 8.210 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.871 -5.152 8.457 1.00 3.40 C ATOM 0 H THR A 66 6.726 -3.963 7.521 1.00 4.48 H new ATOM 0 HA THR A 66 4.625 -5.257 6.015 1.00 3.80 H new ATOM 0 HB THR A 66 4.852 -4.360 8.887 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.578 -6.877 9.067 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.706 -5.534 9.464 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.430 -4.159 8.369 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.405 -5.821 7.734 1.00 3.40 H new ATOM 1060 N LEU A 67 3.165 -3.241 5.518 1.00 4.17 N ATOM 1061 CA LEU A 67 2.215 -2.172 5.302 1.00 3.85 C ATOM 1062 C LEU A 67 0.826 -2.535 5.782 1.00 3.80 C ATOM 1063 O LEU A 67 0.493 -3.733 5.955 1.00 5.54 O ATOM 1064 CB LEU A 67 2.118 -1.772 3.786 1.00 7.18 C ATOM 1065 CG LEU A 67 3.497 -1.427 3.084 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.099 -0.931 1.664 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.099 -0.349 3.949 1.00 11.66 C ATOM 0 H LEU A 67 3.026 -4.031 4.888 1.00 4.17 H new ATOM 0 HA LEU A 67 2.590 -1.329 5.882 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.647 -2.590 3.241 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.458 -0.909 3.697 1.00 7.18 H new ATOM 0 HG LEU A 67 4.218 -2.238 2.981 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.997 -0.669 1.105 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.563 -1.722 1.139 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.457 -0.054 1.751 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.062 -0.047 3.537 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.430 0.511 3.977 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.241 -0.731 4.960 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.058 -1.597 6.020 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.388 -1.760 6.560 1.00 4.17 C ATOM 1081 C HIS A 68 -2.357 -1.067 5.617 1.00 5.32 C ATOM 1082 O HIS A 68 -2.411 0.142 5.493 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.305 -1.065 7.952 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.213 -1.615 8.893 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.005 -0.922 9.066 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.101 -2.676 9.704 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.719 -1.617 10.010 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.092 -2.732 10.344 1.00 16.30 N ATOM 0 H HIS A 68 0.151 -0.618 5.825 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.729 -2.790 6.663 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.129 -0.000 7.799 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.271 -1.161 8.447 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.297 -0.072 8.584 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.882 -3.411 9.834 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.664 -1.297 10.423 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.171 -1.839 4.901 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.267 -1.503 4.107 1.00 3.97 C ATOM 1098 C LEU A 69 -5.541 -1.307 4.891 1.00 5.07 C ATOM 1099 O LEU A 69 -6.132 -2.153 5.524 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.520 -2.675 3.071 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.637 -2.419 2.105 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.580 -1.111 1.291 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.646 -3.599 1.128 1.00 9.96 C ATOM 0 H LEU A 69 -3.023 -2.848 4.889 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.024 -0.557 3.623 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.603 -2.850 2.509 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.736 -3.590 3.622 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.538 -2.312 2.710 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.447 -1.054 0.633 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.583 -0.259 1.971 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.669 -1.094 0.693 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.445 -3.462 0.399 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.688 -3.650 0.611 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.812 -4.525 1.678 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.955 0.008 4.762 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.119 0.504 5.495 1.00 6.26 C ATOM 1117 C VAL A 70 -8.074 1.029 4.447 1.00 9.22 C ATOM 1118 O VAL A 70 -7.751 1.914 3.673 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.723 1.531 6.508 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.962 2.099 7.264 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.822 0.807 7.502 1.00 8.54 C ATOM 0 H VAL A 70 -5.496 0.700 4.169 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.603 -0.279 6.078 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.228 2.372 6.023 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.635 2.842 7.991 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.642 2.564 6.550 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.477 1.288 7.780 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.496 1.505 8.273 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.374 -0.012 7.964 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.951 0.409 6.981 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.313 0.621 4.432 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.200 1.120 3.405 1.00 16.06 C ATOM 1133 C LEU A 71 -10.872 2.396 3.748 1.00 18.09 C ATOM 1134 O LEU A 71 -10.908 2.963 4.896 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.242 0.016 2.982 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.516 -1.219 2.406 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.563 -2.118 1.694 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.425 -0.855 1.445 1.00 19.57 C ATOM 0 H LEU A 71 -9.727 -0.035 5.094 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.564 1.354 2.551 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.841 -0.276 3.844 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.929 0.421 2.239 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.042 -1.747 3.233 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.067 -2.996 1.281 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.320 -2.433 2.412 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.037 -1.557 0.889 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.950 -1.763 1.073 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.847 -0.297 0.609 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.683 -0.240 1.953 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.337 3.095 2.605 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.978 4.344 2.708 1.00 25.83 C ATOM 1152 C ARG A 72 -13.514 4.229 2.627 1.00 27.74 C ATOM 1153 O ARG A 72 -14.061 3.634 1.717 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.469 5.196 1.553 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.830 6.654 1.607 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.256 7.348 0.421 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.540 8.794 0.404 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.022 9.660 -0.467 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.307 9.215 -1.513 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.266 11.014 -0.420 1.00 35.02 N ATOM 0 H ARG A 72 -11.242 2.749 1.650 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.752 4.786 3.678 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.383 5.111 1.515 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.854 4.780 0.622 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.914 6.772 1.622 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.448 7.101 2.525 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.177 7.196 0.405 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.655 6.895 -0.486 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.179 9.159 1.110 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.160 8.214 -1.641 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.911 9.878 -2.179 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.869 11.399 0.307 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.844 11.633 -1.112 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.167 4.869 3.651 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.562 5.169 3.629 1.00 30.76 C ATOM 1176 C LEU A 73 -15.637 6.692 3.297 1.00 32.18 C ATOM 1177 O LEU A 73 -14.837 7.526 3.669 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.248 4.829 4.912 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.307 3.249 5.245 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.028 2.895 6.562 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.150 2.450 4.146 1.00 29.11 C ATOM 0 H LEU A 73 -13.698 5.176 4.503 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.088 4.567 2.889 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.738 5.340 5.728 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.266 5.218 4.879 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.253 2.975 5.289 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.019 1.814 6.703 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.517 3.374 7.397 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.059 3.246 6.518 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.169 1.391 4.401 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.169 2.835 4.119 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.687 2.579 3.168 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.604 7.038 2.440 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.671 8.383 1.803 1.00 35.33 C ATOM 1195 C ARG A 74 -17.039 9.563 2.668 1.00 36.22 C ATOM 1196 O ARG A 74 -16.806 10.705 2.325 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.503 8.501 0.517 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.008 7.533 -0.556 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.588 7.878 -1.125 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.142 6.950 -2.187 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.161 7.273 -3.018 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.631 8.486 -3.084 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.543 6.405 -3.798 1.00 41.93 N ATOM 0 H ARG A 74 -17.359 6.411 2.163 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.609 8.446 1.568 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.550 8.296 0.739 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.451 9.522 0.140 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.986 6.526 -0.139 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.724 7.522 -1.378 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.600 8.893 -1.521 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.864 7.862 -0.310 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.599 6.043 -2.282 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.977 9.228 -2.475 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.877 8.678 -3.744 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.814 5.422 -3.782 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.794 6.718 -4.416 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.542 9.335 3.877 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.724 10.310 4.960 1.00 36.07 C ATOM 1219 C GLY A 75 -16.479 10.582 5.734 1.00 36.16 C ATOM 1220 O GLY A 75 -16.542 11.259 6.750 1.00 36.26 O ATOM 0 H GLY A 75 -17.856 8.404 4.150 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.091 11.245 4.538 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.493 9.945 5.641 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.284 10.085 5.421 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.163 10.341 6.311 1.00 36.19 C ATOM 1226 C GLY A 76 -12.905 9.762 5.664 1.00 36.20 C ATOM 1227 O GLY A 76 -12.241 10.474 4.832 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.537 8.618 6.036 1.00 0.00 O ATOM 0 H GLY A 76 -15.074 9.526 4.594 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.047 11.412 6.479 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.337 9.882 7.284 1.00 36.19 H new TER 1232 GLY A 76