USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 125:sc= 0.255 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.244 USER MOD Single : A 1 MET CE :methyl -179:sc=-0.00135 (180deg=-0.00533) USER MOD Single : A 1 MET N :NH3+ 179:sc= 2.51 (180deg=2.48) USER MOD Single : A 2 GLN : amide:sc= -0.0184 X(o=-0.018,f=0.028) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0.735 (180deg=-0.777!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 0.528 (180deg=0.0626) USER MOD Single : A 29 LYS NZ :NH3+ 138:sc= 1.21 (180deg=0.627) USER MOD Single : A 31 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= 1.3 (180deg=-0.365) USER MOD Single : A 40 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= 1.35 K(o=1.3,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0016 K(o=-0.0016,f=-0.81) USER MOD Single : A 59 TYR OH : rot 80:sc= -0.0313 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0226 K(o=-0.023,f=-2.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.571 K(o=0.57,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.296 -7.780 -5.074 1.00 9.67 N ATOM 2 CA MET A 1 11.194 -7.650 -3.595 1.00 10.38 C ATOM 3 C MET A 1 9.814 -7.995 -2.979 1.00 9.62 C ATOM 4 O MET A 1 8.795 -7.785 -3.623 1.00 9.62 O ATOM 5 CB MET A 1 11.626 -6.193 -3.252 1.00 13.77 C ATOM 6 CG MET A 1 11.624 -5.926 -1.714 1.00 16.29 C ATOM 7 SD MET A 1 12.484 -4.431 -1.144 1.00 17.17 S ATOM 8 CE MET A 1 11.103 -3.338 -1.586 1.00 16.11 C ATOM 0 H1 MET A 1 12.252 -7.510 -5.381 1.00 9.67 H new ATOM 0 H2 MET A 1 11.109 -8.765 -5.350 1.00 9.67 H new ATOM 0 H3 MET A 1 10.598 -7.156 -5.526 1.00 9.67 H new ATOM 0 HA MET A 1 11.846 -8.399 -3.145 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.624 -6.008 -3.650 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.952 -5.491 -3.742 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.588 -5.871 -1.380 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.073 -6.787 -1.219 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.367 -2.306 -1.353 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.895 -3.428 -2.652 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.217 -3.623 -1.018 1.00 16.11 H new ATOM 20 N GLN A 2 9.798 -8.667 -1.800 1.00 9.27 N ATOM 21 CA GLN A 2 8.528 -9.080 -1.256 1.00 9.07 C ATOM 22 C GLN A 2 8.158 -8.188 -0.153 1.00 8.72 C ATOM 23 O GLN A 2 8.971 -7.953 0.772 1.00 8.22 O ATOM 24 CB GLN A 2 8.674 -10.573 -0.743 1.00 14.46 C ATOM 25 CG GLN A 2 7.487 -11.042 0.106 1.00 17.01 C ATOM 26 CD GLN A 2 7.518 -12.521 0.248 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.827 -13.003 1.326 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.270 -13.281 -0.866 1.00 19.49 N ATOM 0 H GLN A 2 10.619 -8.914 -1.248 1.00 9.27 H new ATOM 0 HA GLN A 2 7.746 -9.029 -2.014 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.782 -11.236 -1.602 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.588 -10.660 -0.156 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.524 -10.573 1.089 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.551 -10.732 -0.359 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.015 -12.830 -1.745 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.341 -14.297 -0.816 1.00 19.49 H new ATOM 37 N ILE A 3 6.949 -7.724 -0.127 1.00 5.87 N ATOM 38 CA ILE A 3 6.390 -6.892 0.930 1.00 5.07 C ATOM 39 C ILE A 3 4.996 -7.427 1.259 1.00 4.01 C ATOM 40 O ILE A 3 4.351 -8.086 0.432 1.00 4.61 O ATOM 41 CB ILE A 3 6.299 -5.402 0.660 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.476 -5.060 -0.620 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.746 -4.859 0.484 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.208 -3.576 -0.758 1.00 10.83 C ATOM 0 H ILE A 3 6.279 -7.916 -0.872 1.00 5.87 H new ATOM 0 HA ILE A 3 7.096 -6.965 1.757 1.00 5.07 H new ATOM 0 HB ILE A 3 5.783 -4.941 1.502 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.015 -5.412 -1.499 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.527 -5.596 -0.592 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.711 -3.787 0.288 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.317 -5.043 1.394 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.225 -5.365 -0.354 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.632 -3.393 -1.665 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.644 -3.226 0.107 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.155 -3.039 -0.815 1.00 10.83 H new ATOM 56 N PHE A 4 4.503 -7.176 2.490 1.00 4.55 N ATOM 57 CA PHE A 4 3.234 -7.611 3.044 1.00 4.68 C ATOM 58 C PHE A 4 2.246 -6.445 3.225 1.00 5.30 C ATOM 59 O PHE A 4 2.602 -5.394 3.738 1.00 5.58 O ATOM 60 CB PHE A 4 3.352 -8.523 4.358 1.00 4.83 C ATOM 61 CG PHE A 4 4.281 -9.632 4.159 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.978 -10.745 3.371 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.523 -9.633 4.850 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.823 -11.787 3.205 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.396 -10.724 4.676 1.00 10.61 C ATOM 66 CZ PHE A 4 6.052 -11.768 3.832 1.00 8.90 C ATOM 0 H PHE A 4 5.033 -6.621 3.162 1.00 4.55 H new ATOM 0 HA PHE A 4 2.817 -8.277 2.288 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.687 -7.913 5.197 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.369 -8.913 4.621 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.022 -10.774 2.870 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.792 -8.811 5.497 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.539 -12.626 2.588 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.338 -10.747 5.203 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.752 -12.573 3.664 1.00 8.90 H new ATOM 76 N VAL A 5 0.947 -6.640 2.878 1.00 4.44 N ATOM 77 CA VAL A 5 -0.116 -5.732 3.321 1.00 3.87 C ATOM 78 C VAL A 5 -1.066 -6.511 4.181 1.00 4.93 C ATOM 79 O VAL A 5 -1.642 -7.495 3.707 1.00 6.84 O ATOM 80 CB VAL A 5 -0.838 -5.094 2.124 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.849 -4.012 2.534 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.186 -4.379 1.232 1.00 9.13 C ATOM 0 H VAL A 5 0.624 -7.414 2.298 1.00 4.44 H new ATOM 0 HA VAL A 5 0.313 -4.912 3.897 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.356 -5.911 1.621 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.324 -3.602 1.643 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.609 -4.450 3.181 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.332 -3.215 3.069 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.325 -3.926 0.382 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.691 -3.603 1.808 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.920 -5.099 0.872 1.00 9.13 H new ATOM 92 N LYS A 6 -1.217 -6.098 5.432 1.00 6.04 N ATOM 93 CA LYS A 6 -2.068 -6.766 6.363 1.00 6.12 C ATOM 94 C LYS A 6 -3.373 -6.003 6.493 1.00 6.57 C ATOM 95 O LYS A 6 -3.391 -4.775 6.645 1.00 5.76 O ATOM 96 CB LYS A 6 -1.309 -7.151 7.651 1.00 7.45 C ATOM 97 CG LYS A 6 -2.216 -8.040 8.517 1.00 11.12 C ATOM 98 CD LYS A 6 -1.496 -8.963 9.499 1.00 14.54 C ATOM 99 CE LYS A 6 -1.021 -8.251 10.783 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.227 -9.139 11.671 1.00 20.55 N ATOM 0 H LYS A 6 -0.741 -5.282 5.817 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.377 -7.746 5.999 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.389 -7.680 7.402 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.023 -6.255 8.202 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.893 -7.397 9.080 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.832 -8.651 7.857 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.164 -9.780 9.773 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.635 -9.408 9.001 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.419 -7.384 10.511 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.888 -7.879 11.329 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.066 -8.611 12.518 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.807 -9.954 11.955 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.616 -9.474 11.163 1.00 20.55 H new ATOM 114 N THR A 7 -4.556 -6.737 6.416 1.00 7.41 N ATOM 115 CA THR A 7 -5.879 -6.087 6.445 1.00 7.48 C ATOM 116 C THR A 7 -6.611 -6.082 7.810 1.00 8.75 C ATOM 117 O THR A 7 -6.216 -6.872 8.631 1.00 8.58 O ATOM 118 CB THR A 7 -6.834 -6.579 5.363 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.367 -7.882 5.733 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.046 -6.650 3.989 1.00 9.17 C ATOM 0 H THR A 7 -4.589 -7.753 6.336 1.00 7.41 H new ATOM 0 HA THR A 7 -5.605 -5.053 6.238 1.00 7.48 H new ATOM 0 HB THR A 7 -7.675 -5.894 5.255 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.981 -8.194 5.036 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.715 -7.001 3.203 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.673 -5.659 3.732 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.207 -7.340 4.086 1.00 9.17 H new ATOM 128 N LEU A 8 -7.712 -5.311 7.863 1.00 9.84 N ATOM 129 CA LEU A 8 -8.663 -5.256 9.007 1.00 14.15 C ATOM 130 C LEU A 8 -9.126 -6.652 9.486 1.00 17.37 C ATOM 131 O LEU A 8 -8.972 -6.863 10.729 1.00 17.01 O ATOM 132 CB LEU A 8 -9.970 -4.500 8.553 1.00 16.63 C ATOM 133 CG LEU A 8 -10.953 -4.333 9.756 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.308 -3.522 10.895 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.247 -3.755 9.180 1.00 18.59 C ATOM 0 H LEU A 8 -7.979 -4.691 7.098 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.132 -4.757 9.817 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.709 -3.521 8.150 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.458 -5.055 7.752 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.193 -5.280 10.239 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.016 -3.423 11.717 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.414 -4.036 11.247 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.037 -2.532 10.528 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.973 -3.617 9.982 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.039 -2.794 8.710 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.653 -4.441 8.437 1.00 18.59 H new ATOM 147 N THR A 9 -9.501 -7.594 8.586 1.00 18.33 N ATOM 148 CA THR A 9 -9.971 -8.926 8.955 1.00 19.24 C ATOM 149 C THR A 9 -8.887 -9.959 8.986 1.00 19.48 C ATOM 150 O THR A 9 -9.182 -11.177 9.041 1.00 23.14 O ATOM 151 CB THR A 9 -11.092 -9.484 8.125 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.775 -9.363 6.701 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.312 -8.614 8.430 1.00 19.70 C ATOM 0 H THR A 9 -9.481 -7.436 7.578 1.00 18.33 H new ATOM 0 HA THR A 9 -10.354 -8.736 9.958 1.00 19.24 H new ATOM 0 HB THR A 9 -11.262 -10.536 8.352 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.511 -9.731 6.169 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.166 -8.970 7.854 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.543 -8.671 9.494 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.098 -7.580 8.160 1.00 19.70 H new ATOM 161 N GLY A 10 -7.630 -9.434 9.105 1.00 19.43 N ATOM 162 CA GLY A 10 -6.378 -10.066 9.380 1.00 18.74 C ATOM 163 C GLY A 10 -5.696 -10.739 8.163 1.00 17.62 C ATOM 164 O GLY A 10 -4.730 -11.531 8.322 1.00 19.74 O ATOM 0 H GLY A 10 -7.497 -8.429 8.989 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.697 -9.322 9.792 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.532 -10.820 10.152 1.00 18.74 H new ATOM 168 N LYS A 11 -6.180 -10.448 6.954 1.00 13.56 N ATOM 169 CA LYS A 11 -5.619 -11.077 5.759 1.00 11.91 C ATOM 170 C LYS A 11 -4.291 -10.490 5.425 1.00 10.18 C ATOM 171 O LYS A 11 -4.104 -9.300 5.477 1.00 9.10 O ATOM 172 CB LYS A 11 -6.529 -10.925 4.519 1.00 13.43 C ATOM 173 CG LYS A 11 -6.151 -11.709 3.247 1.00 16.69 C ATOM 174 CD LYS A 11 -7.283 -11.832 2.203 1.00 17.92 C ATOM 175 CE LYS A 11 -6.964 -12.757 0.995 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.978 -12.640 -0.069 1.00 21.93 N ATOM 0 H LYS A 11 -6.943 -9.795 6.778 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.526 -12.136 5.999 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.538 -11.220 4.806 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.568 -9.867 4.260 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.295 -11.224 2.779 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.831 -12.710 3.536 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.178 -12.206 2.701 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.520 -10.837 1.827 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.984 -12.503 0.592 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.911 -13.792 1.334 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.535 -12.823 -0.992 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.735 -13.333 0.096 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.379 -11.681 -0.062 1.00 21.93 H new ATOM 190 N THR A 12 -3.358 -11.358 5.036 1.00 9.63 N ATOM 191 CA THR A 12 -2.034 -11.042 4.506 1.00 9.85 C ATOM 192 C THR A 12 -2.044 -11.111 3.001 1.00 11.66 C ATOM 193 O THR A 12 -2.067 -12.178 2.427 1.00 12.33 O ATOM 194 CB THR A 12 -0.940 -11.928 5.025 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.989 -11.991 6.432 1.00 10.91 O ATOM 196 CG2 THR A 12 0.429 -11.391 4.635 1.00 9.63 C ATOM 0 H THR A 12 -3.518 -12.364 5.086 1.00 9.63 H new ATOM 0 HA THR A 12 -1.816 -10.031 4.850 1.00 9.85 H new ATOM 0 HB THR A 12 -1.089 -12.916 4.590 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.272 -12.573 6.759 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.203 -12.052 5.024 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.505 -11.343 3.549 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.561 -10.393 5.053 1.00 9.63 H new ATOM 204 N ILE A 13 -1.947 -9.952 2.344 1.00 10.42 N ATOM 205 CA ILE A 13 -1.756 -9.798 0.904 1.00 11.84 C ATOM 206 C ILE A 13 -0.273 -9.808 0.697 1.00 10.55 C ATOM 207 O ILE A 13 0.476 -9.097 1.368 1.00 11.92 O ATOM 208 CB ILE A 13 -2.390 -8.528 0.340 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.806 -8.328 0.886 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.464 -8.711 -1.212 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.441 -7.072 0.374 1.00 16.46 C ATOM 0 H ILE A 13 -2.002 -9.055 2.827 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.255 -10.605 0.367 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.797 -7.658 0.623 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.423 -9.183 0.610 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.772 -8.297 1.975 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.912 -7.825 -1.662 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.459 -8.851 -1.610 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.073 -9.584 -1.447 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.444 -6.976 0.790 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.840 -6.213 0.672 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.502 -7.112 -0.714 1.00 16.46 H new ATOM 223 N THR A 14 0.164 -10.694 -0.181 1.00 9.39 N ATOM 224 CA THR A 14 1.588 -10.866 -0.377 1.00 9.63 C ATOM 225 C THR A 14 1.947 -10.320 -1.746 1.00 11.20 C ATOM 226 O THR A 14 1.681 -10.907 -2.808 1.00 11.63 O ATOM 227 CB THR A 14 2.054 -12.354 -0.383 1.00 10.38 C ATOM 228 OG1 THR A 14 1.706 -13.128 0.771 1.00 16.30 O ATOM 229 CG2 THR A 14 3.598 -12.356 -0.427 1.00 11.66 C ATOM 0 H THR A 14 -0.431 -11.291 -0.755 1.00 9.39 H new ATOM 0 HA THR A 14 2.071 -10.353 0.455 1.00 9.63 H new ATOM 0 HB THR A 14 1.552 -12.806 -1.239 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.042 -14.042 0.665 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.961 -13.384 -0.432 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.937 -11.847 -1.329 1.00 11.66 H new ATOM 0 HG23 THR A 14 3.988 -11.838 0.450 1.00 11.66 H new ATOM 237 N LEU A 15 2.700 -9.188 -1.743 1.00 8.29 N ATOM 238 CA LEU A 15 3.025 -8.394 -2.968 1.00 9.03 C ATOM 239 C LEU A 15 4.437 -8.637 -3.417 1.00 8.59 C ATOM 240 O LEU A 15 5.399 -8.591 -2.681 1.00 7.79 O ATOM 241 CB LEU A 15 2.786 -6.897 -2.822 1.00 11.08 C ATOM 242 CG LEU A 15 1.408 -6.512 -2.305 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.293 -5.014 -2.303 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.259 -7.039 -3.068 1.00 15.27 C ATOM 0 H LEU A 15 3.102 -8.796 -0.891 1.00 8.29 H new ATOM 0 HA LEU A 15 2.328 -8.751 -3.726 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.538 -6.489 -2.147 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.939 -6.424 -3.792 1.00 11.08 H new ATOM 0 HG LEU A 15 1.349 -6.961 -1.313 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.309 -4.725 -1.934 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.062 -4.591 -1.656 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.425 -4.638 -3.317 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.669 -6.700 -2.608 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.308 -6.678 -4.095 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.289 -8.129 -3.065 1.00 15.27 H new ATOM 256 N GLU A 16 4.674 -8.879 -4.727 1.00 11.04 N ATOM 257 CA GLU A 16 6.015 -8.684 -5.366 1.00 11.50 C ATOM 258 C GLU A 16 6.199 -7.252 -6.091 1.00 10.13 C ATOM 259 O GLU A 16 5.496 -6.941 -7.028 1.00 9.83 O ATOM 260 CB GLU A 16 6.373 -9.843 -6.347 1.00 17.22 C ATOM 261 CG GLU A 16 7.862 -9.881 -6.798 1.00 23.33 C ATOM 262 CD GLU A 16 8.814 -10.290 -5.694 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.409 -10.972 -4.736 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.014 -9.999 -5.887 1.00 28.90 O ATOM 0 H GLU A 16 3.957 -9.211 -5.372 1.00 11.04 H new ATOM 0 HA GLU A 16 6.720 -8.701 -4.535 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.128 -10.792 -5.870 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.742 -9.759 -7.232 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.964 -10.576 -7.632 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.147 -8.896 -7.167 1.00 23.33 H new ATOM 271 N VAL A 17 7.137 -6.444 -5.571 1.00 8.99 N ATOM 272 CA VAL A 17 7.413 -5.051 -5.903 1.00 8.85 C ATOM 273 C VAL A 17 8.870 -4.886 -6.194 1.00 8.04 C ATOM 274 O VAL A 17 9.710 -5.785 -6.004 1.00 8.99 O ATOM 275 CB VAL A 17 6.931 -4.037 -4.809 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.427 -4.227 -4.518 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.784 -4.177 -3.490 1.00 10.54 C ATOM 0 H VAL A 17 7.771 -6.784 -4.848 1.00 8.99 H new ATOM 0 HA VAL A 17 6.831 -4.810 -6.793 1.00 8.85 H new ATOM 0 HB VAL A 17 7.079 -3.028 -5.193 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.111 -3.514 -3.756 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.856 -4.059 -5.431 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.251 -5.242 -4.161 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.428 -3.462 -2.749 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.682 -5.188 -3.097 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.832 -3.978 -3.712 1.00 10.54 H new ATOM 287 N GLU A 18 9.262 -3.763 -6.721 1.00 7.29 N ATOM 288 CA GLU A 18 10.629 -3.327 -6.800 1.00 7.08 C ATOM 289 C GLU A 18 10.842 -2.097 -5.937 1.00 6.45 C ATOM 290 O GLU A 18 9.870 -1.429 -5.638 1.00 5.28 O ATOM 291 CB GLU A 18 10.961 -2.906 -8.219 1.00 10.28 C ATOM 292 CG GLU A 18 10.952 -4.178 -9.112 1.00 12.65 C ATOM 293 CD GLU A 18 11.784 -4.068 -10.379 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.364 -3.245 -11.229 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.864 -4.706 -10.587 1.00 18.17 O ATOM 0 H GLU A 18 8.608 -3.094 -7.127 1.00 7.29 H new ATOM 0 HA GLU A 18 11.255 -4.156 -6.470 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.233 -2.181 -8.582 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.937 -2.422 -8.254 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.318 -5.020 -8.525 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.922 -4.405 -9.388 1.00 12.65 H new ATOM 302 N PRO A 19 11.984 -1.710 -5.366 1.00 7.24 N ATOM 303 CA PRO A 19 11.968 -0.582 -4.379 1.00 7.07 C ATOM 304 C PRO A 19 11.654 0.767 -5.005 1.00 6.65 C ATOM 305 O PRO A 19 11.513 1.711 -4.287 1.00 6.37 O ATOM 306 CB PRO A 19 13.417 -0.543 -3.998 1.00 7.61 C ATOM 307 CG PRO A 19 13.940 -1.955 -4.092 1.00 8.16 C ATOM 308 CD PRO A 19 13.227 -2.443 -5.331 1.00 7.49 C ATOM 0 HA PRO A 19 11.227 -0.737 -3.595 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.972 0.118 -4.663 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.539 -0.154 -2.987 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.024 -1.987 -4.200 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.690 -2.547 -3.212 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.820 -2.255 -6.226 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.049 -3.517 -5.286 1.00 7.49 H new ATOM 316 N SER A 20 11.572 0.862 -6.360 1.00 6.80 N ATOM 317 CA SER A 20 11.286 2.152 -6.882 1.00 6.28 C ATOM 318 C SER A 20 9.855 2.305 -7.308 1.00 8.45 C ATOM 319 O SER A 20 9.472 3.314 -7.916 1.00 7.26 O ATOM 320 CB SER A 20 12.124 2.400 -8.180 1.00 8.57 C ATOM 321 OG SER A 20 13.519 2.248 -7.968 1.00 11.13 O ATOM 0 H SER A 20 11.694 0.106 -7.034 1.00 6.80 H new ATOM 0 HA SER A 20 11.519 2.850 -6.078 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.800 1.705 -8.955 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.924 3.406 -8.550 1.00 8.57 H new ATOM 0 HG SER A 20 13.997 2.411 -8.808 1.00 11.13 H new ATOM 327 N ASP A 21 8.990 1.304 -7.051 1.00 7.50 N ATOM 328 CA ASP A 21 7.548 1.428 -7.328 1.00 7.70 C ATOM 329 C ASP A 21 6.878 2.590 -6.502 1.00 7.08 C ATOM 330 O ASP A 21 7.372 2.796 -5.381 1.00 8.11 O ATOM 331 CB ASP A 21 6.792 0.086 -7.028 1.00 11.00 C ATOM 332 CG ASP A 21 7.281 -0.919 -7.973 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.583 -0.596 -9.163 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.171 -2.104 -7.573 1.00 14.36 O ATOM 0 H ASP A 21 9.264 0.405 -6.654 1.00 7.50 H new ATOM 0 HA ASP A 21 7.464 1.665 -8.389 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.972 -0.234 -6.002 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.716 0.221 -7.135 1.00 11.00 H new ATOM 339 N THR A 22 5.912 3.358 -7.065 1.00 5.37 N ATOM 340 CA THR A 22 5.270 4.444 -6.358 1.00 6.01 C ATOM 341 C THR A 22 4.125 3.841 -5.523 1.00 8.01 C ATOM 342 O THR A 22 3.651 2.713 -5.837 1.00 8.11 O ATOM 343 CB THR A 22 4.655 5.499 -7.303 1.00 8.92 C ATOM 344 OG1 THR A 22 3.952 4.898 -8.381 1.00 10.22 O ATOM 345 CG2 THR A 22 5.801 6.419 -7.896 1.00 9.65 C ATOM 0 H THR A 22 5.573 3.226 -8.018 1.00 5.37 H new ATOM 0 HA THR A 22 6.027 4.942 -5.752 1.00 6.01 H new ATOM 0 HB THR A 22 3.951 6.090 -6.717 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.576 5.597 -8.956 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.363 7.162 -8.562 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.321 6.924 -7.081 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.509 5.805 -8.453 1.00 9.65 H new ATOM 353 N ILE A 23 3.638 4.602 -4.500 1.00 8.32 N ATOM 354 CA ILE A 23 2.546 4.192 -3.707 1.00 9.92 C ATOM 355 C ILE A 23 1.280 4.016 -4.577 1.00 10.01 C ATOM 356 O ILE A 23 0.426 3.127 -4.394 1.00 8.71 O ATOM 357 CB ILE A 23 2.331 5.166 -2.542 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.571 5.342 -1.642 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.085 4.876 -1.749 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.097 4.043 -1.128 1.00 12.30 C ATOM 0 H ILE A 23 4.024 5.510 -4.239 1.00 8.32 H new ATOM 0 HA ILE A 23 2.767 3.219 -3.269 1.00 9.92 H new ATOM 0 HB ILE A 23 2.173 6.134 -3.018 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.354 5.850 -2.205 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.316 5.985 -0.800 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.992 5.601 -0.940 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.214 4.946 -2.401 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.146 3.871 -1.331 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.969 4.226 -0.501 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.326 3.545 -0.540 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.381 3.408 -1.967 1.00 12.30 H new ATOM 372 N GLU A 24 1.050 4.830 -5.662 1.00 9.54 N ATOM 373 CA GLU A 24 -0.028 4.576 -6.574 1.00 11.81 C ATOM 374 C GLU A 24 0.045 3.238 -7.320 1.00 11.14 C ATOM 375 O GLU A 24 -0.951 2.475 -7.430 1.00 10.62 O ATOM 376 CB GLU A 24 -0.121 5.778 -7.566 1.00 19.24 C ATOM 377 CG GLU A 24 -1.433 5.777 -8.435 1.00 27.76 C ATOM 378 CD GLU A 24 -1.816 7.134 -8.941 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.188 7.720 -9.865 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.844 7.633 -8.405 1.00 34.80 O ATOM 0 H GLU A 24 1.613 5.649 -5.890 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.936 4.485 -5.977 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.070 6.709 -7.002 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.744 5.759 -8.229 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.297 5.107 -9.284 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.253 5.375 -7.840 1.00 27.76 H new ATOM 387 N ASN A 25 1.255 2.834 -7.781 1.00 9.43 N ATOM 388 CA ASN A 25 1.577 1.591 -8.498 1.00 10.96 C ATOM 389 C ASN A 25 1.324 0.404 -7.569 1.00 9.68 C ATOM 390 O ASN A 25 0.845 -0.609 -8.050 1.00 9.33 O ATOM 391 CB ASN A 25 3.082 1.567 -8.954 1.00 16.78 C ATOM 392 CG ASN A 25 3.298 0.428 -9.958 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.896 -0.560 -9.541 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.774 0.574 -11.165 1.00 24.70 N ATOM 0 H ASN A 25 2.084 3.414 -7.648 1.00 9.43 H new ATOM 0 HA ASN A 25 0.946 1.532 -9.385 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.350 2.521 -9.408 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.732 1.431 -8.090 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.849 -0.180 -11.848 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.295 1.440 -11.412 1.00 24.70 H new ATOM 401 N VAL A 26 1.713 0.572 -6.262 1.00 6.52 N ATOM 402 CA VAL A 26 1.380 -0.412 -5.193 1.00 5.53 C ATOM 403 C VAL A 26 -0.110 -0.628 -5.000 1.00 4.42 C ATOM 404 O VAL A 26 -0.530 -1.810 -4.929 1.00 3.40 O ATOM 405 CB VAL A 26 2.115 -0.008 -3.914 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.747 -0.958 -2.778 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.610 -0.254 -4.221 1.00 8.12 C ATOM 0 H VAL A 26 2.252 1.374 -5.934 1.00 6.52 H new ATOM 0 HA VAL A 26 1.730 -1.397 -5.503 1.00 5.53 H new ATOM 0 HB VAL A 26 1.875 1.016 -3.630 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.275 -0.663 -1.871 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.672 -0.916 -2.602 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.031 -1.975 -3.048 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.209 0.012 -3.350 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.764 -1.306 -4.459 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.913 0.358 -5.070 1.00 8.12 H new ATOM 417 N LYS A 27 -0.946 0.407 -4.896 1.00 2.64 N ATOM 418 CA LYS A 27 -2.378 0.219 -4.850 1.00 4.14 C ATOM 419 C LYS A 27 -3.026 -0.437 -6.016 1.00 5.58 C ATOM 420 O LYS A 27 -3.981 -1.236 -5.937 1.00 4.11 O ATOM 421 CB LYS A 27 -3.139 1.544 -4.562 1.00 3.97 C ATOM 422 CG LYS A 27 -2.723 2.248 -3.250 1.00 7.45 C ATOM 423 CD LYS A 27 -3.317 3.614 -3.130 1.00 9.02 C ATOM 424 CE LYS A 27 -2.950 4.394 -1.862 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.671 5.643 -1.977 1.00 15.47 N ATOM 0 H LYS A 27 -0.646 1.380 -4.843 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.464 -0.488 -4.025 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.978 2.229 -5.394 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.208 1.334 -4.524 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.035 1.642 -2.400 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.636 2.321 -3.208 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.009 4.200 -3.996 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.402 3.523 -3.176 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.242 3.850 -0.964 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.875 4.562 -1.798 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.094 6.414 -1.584 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.872 5.837 -2.979 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.566 5.577 -1.451 1.00 15.47 H new ATOM 439 N ALA A 28 -2.541 -0.222 -7.226 1.00 6.61 N ATOM 440 CA ALA A 28 -3.056 -0.882 -8.451 1.00 7.74 C ATOM 441 C ALA A 28 -2.687 -2.324 -8.537 1.00 9.17 C ATOM 442 O ALA A 28 -3.363 -3.113 -9.202 1.00 11.45 O ATOM 443 CB ALA A 28 -2.438 -0.081 -9.707 1.00 7.68 C ATOM 0 H ALA A 28 -1.769 0.420 -7.406 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.146 -0.853 -8.439 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.790 -0.532 -10.635 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.756 0.961 -9.666 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.350 -0.130 -9.670 1.00 7.68 H new ATOM 449 N LYS A 29 -1.637 -2.746 -7.838 1.00 8.96 N ATOM 450 CA LYS A 29 -1.249 -4.135 -7.644 1.00 7.90 C ATOM 451 C LYS A 29 -2.175 -4.781 -6.638 1.00 6.92 C ATOM 452 O LYS A 29 -2.686 -5.867 -6.854 1.00 6.87 O ATOM 453 CB LYS A 29 0.220 -4.235 -7.057 1.00 10.28 C ATOM 454 CG LYS A 29 0.911 -5.599 -7.150 1.00 14.94 C ATOM 455 CD LYS A 29 2.468 -5.549 -7.336 1.00 19.69 C ATOM 456 CE LYS A 29 2.861 -5.300 -8.813 1.00 22.63 C ATOM 457 NZ LYS A 29 4.330 -5.292 -8.968 1.00 24.98 N ATOM 0 H LYS A 29 -1.005 -2.096 -7.370 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.300 -4.633 -8.612 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.842 -3.503 -7.573 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.187 -3.942 -6.008 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.687 -6.164 -6.245 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.479 -6.151 -7.985 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.884 -4.759 -6.711 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.905 -6.488 -6.996 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.428 -6.075 -9.445 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.450 -4.348 -9.148 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.591 -5.813 -9.830 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.666 -4.311 -9.042 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.769 -5.747 -8.142 1.00 24.98 H new ATOM 471 N ILE A 30 -2.415 -4.109 -5.607 1.00 4.57 N ATOM 472 CA ILE A 30 -3.412 -4.518 -4.593 1.00 5.58 C ATOM 473 C ILE A 30 -4.853 -4.684 -5.247 1.00 7.26 C ATOM 474 O ILE A 30 -5.514 -5.641 -4.884 1.00 9.46 O ATOM 475 CB ILE A 30 -3.454 -3.567 -3.400 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.109 -3.644 -2.621 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.569 -4.111 -2.450 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.120 -2.724 -1.409 1.00 2.00 C ATOM 0 H ILE A 30 -1.943 -3.232 -5.389 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.096 -5.488 -4.209 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.633 -2.543 -3.728 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.930 -4.670 -2.300 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.287 -3.369 -3.282 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.646 -3.468 -1.573 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.523 -4.122 -2.977 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.317 -5.124 -2.136 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.167 -2.800 -0.886 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.274 -1.695 -1.735 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.927 -3.017 -0.737 1.00 2.00 H new ATOM 490 N GLN A 31 -5.261 -3.786 -6.145 1.00 7.06 N ATOM 491 CA GLN A 31 -6.456 -3.941 -6.916 1.00 8.67 C ATOM 492 C GLN A 31 -6.392 -5.246 -7.727 1.00 10.90 C ATOM 493 O GLN A 31 -7.307 -6.074 -7.733 1.00 9.63 O ATOM 494 CB GLN A 31 -6.662 -2.731 -7.880 1.00 9.12 C ATOM 495 CG GLN A 31 -7.863 -2.737 -8.768 1.00 10.76 C ATOM 496 CD GLN A 31 -7.836 -1.459 -9.652 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.741 -0.588 -9.656 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.667 -1.212 -10.280 1.00 14.76 N ATOM 0 H GLN A 31 -4.751 -2.926 -6.346 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.301 -3.981 -6.229 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.699 -1.825 -7.275 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.779 -2.655 -8.514 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.866 -3.629 -9.394 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.774 -2.764 -8.171 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.929 -1.916 -10.279 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.522 -0.321 -10.755 1.00 14.76 H new ATOM 507 N ASP A 32 -5.352 -5.513 -8.478 1.00 10.93 N ATOM 508 CA ASP A 32 -5.144 -6.723 -9.189 1.00 14.01 C ATOM 509 C ASP A 32 -5.269 -8.045 -8.330 1.00 14.04 C ATOM 510 O ASP A 32 -5.935 -9.015 -8.716 1.00 13.39 O ATOM 511 CB ASP A 32 -3.734 -6.715 -9.840 1.00 18.01 C ATOM 512 CG ASP A 32 -3.593 -7.656 -10.987 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.166 -7.403 -12.068 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.731 -8.535 -10.866 1.00 25.17 O ATOM 0 H ASP A 32 -4.592 -4.845 -8.608 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.947 -6.749 -9.925 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.508 -5.705 -10.182 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.993 -6.968 -9.082 1.00 18.01 H new ATOM 519 N LYS A 33 -4.698 -8.014 -7.088 1.00 14.22 N ATOM 520 CA LYS A 33 -4.753 -9.117 -6.218 1.00 14.00 C ATOM 521 C LYS A 33 -6.138 -9.314 -5.637 1.00 12.37 C ATOM 522 O LYS A 33 -6.675 -10.415 -5.670 1.00 12.17 O ATOM 523 CB LYS A 33 -3.908 -8.863 -4.948 1.00 18.62 C ATOM 524 CG LYS A 33 -2.416 -9.119 -5.137 1.00 24.00 C ATOM 525 CD LYS A 33 -2.021 -10.612 -5.048 1.00 27.61 C ATOM 526 CE LYS A 33 -0.527 -10.742 -5.263 1.00 27.64 C ATOM 527 NZ LYS A 33 0.080 -11.976 -4.777 1.00 30.06 N ATOM 0 H LYS A 33 -4.202 -7.206 -6.711 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.415 -9.960 -6.821 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.052 -7.831 -4.628 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.277 -9.500 -4.144 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.111 -8.730 -6.108 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.863 -8.561 -4.381 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.298 -11.017 -4.075 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.561 -11.189 -5.799 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.324 -10.655 -6.330 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.034 -9.901 -4.776 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.742 -11.757 -4.005 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.663 -12.613 -4.426 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.595 -12.439 -5.553 1.00 30.06 H new ATOM 541 N GLU A 34 -6.778 -8.266 -5.054 1.00 10.11 N ATOM 542 CA GLU A 34 -7.861 -8.379 -4.106 1.00 10.07 C ATOM 543 C GLU A 34 -9.127 -7.691 -4.571 1.00 9.32 C ATOM 544 O GLU A 34 -10.162 -7.659 -3.927 1.00 11.61 O ATOM 545 CB GLU A 34 -7.469 -7.829 -2.728 1.00 14.77 C ATOM 546 CG GLU A 34 -6.442 -8.783 -2.026 1.00 18.75 C ATOM 547 CD GLU A 34 -6.993 -10.105 -1.490 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.075 -10.095 -0.852 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.421 -11.139 -1.808 1.00 25.19 O ATOM 0 H GLU A 34 -6.528 -7.298 -5.254 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.064 -9.447 -4.027 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.035 -6.835 -2.837 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.358 -7.722 -2.107 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.646 -9.008 -2.736 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.986 -8.242 -1.197 1.00 18.75 H new ATOM 556 N GLY A 35 -9.116 -7.074 -5.747 1.00 7.22 N ATOM 557 CA GLY A 35 -10.277 -6.431 -6.342 1.00 6.29 C ATOM 558 C GLY A 35 -10.578 -5.071 -5.865 1.00 6.93 C ATOM 559 O GLY A 35 -11.500 -4.424 -6.281 1.00 7.41 O ATOM 0 H GLY A 35 -8.279 -7.007 -6.325 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.132 -6.392 -7.422 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.149 -7.060 -6.160 1.00 6.29 H new ATOM 563 N ILE A 36 -9.646 -4.454 -5.090 1.00 5.86 N ATOM 564 CA ILE A 36 -9.892 -3.197 -4.349 1.00 6.07 C ATOM 565 C ILE A 36 -9.419 -1.968 -5.117 1.00 6.36 C ATOM 566 O ILE A 36 -8.225 -1.876 -5.365 1.00 6.18 O ATOM 567 CB ILE A 36 -9.303 -3.126 -2.936 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.522 -4.415 -2.092 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.975 -1.894 -2.167 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.638 -4.437 -0.868 1.00 9.49 C ATOM 0 H ILE A 36 -8.702 -4.819 -4.964 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.977 -3.201 -4.245 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.226 -3.007 -3.051 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.567 -4.478 -1.788 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.316 -5.292 -2.706 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.567 -1.828 -1.158 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.763 -0.970 -2.705 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.053 -2.043 -2.113 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.820 -5.352 -0.304 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.592 -4.401 -1.174 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.863 -3.574 -0.241 1.00 9.49 H new ATOM 582 N PRO A 37 -10.208 -0.947 -5.498 1.00 8.65 N ATOM 583 CA PRO A 37 -9.678 0.138 -6.332 1.00 9.18 C ATOM 584 C PRO A 37 -8.740 1.113 -5.628 1.00 9.85 C ATOM 585 O PRO A 37 -8.935 1.218 -4.448 1.00 8.51 O ATOM 586 CB PRO A 37 -10.978 0.888 -6.838 1.00 11.42 C ATOM 587 CG PRO A 37 -12.032 0.441 -5.800 1.00 9.27 C ATOM 588 CD PRO A 37 -11.697 -0.925 -5.298 1.00 8.33 C ATOM 0 HA PRO A 37 -9.049 -0.276 -7.120 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.847 1.970 -6.847 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.252 0.592 -7.851 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.061 1.147 -4.970 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.024 0.440 -6.252 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.975 -1.060 -4.253 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.201 -1.708 -5.865 1.00 8.33 H new ATOM 596 N PRO A 38 -7.770 1.810 -6.207 1.00 8.71 N ATOM 597 CA PRO A 38 -6.870 2.792 -5.561 1.00 9.08 C ATOM 598 C PRO A 38 -7.629 3.908 -4.905 1.00 9.28 C ATOM 599 O PRO A 38 -7.141 4.619 -3.991 1.00 6.50 O ATOM 600 CB PRO A 38 -6.000 3.380 -6.720 1.00 10.31 C ATOM 601 CG PRO A 38 -5.918 2.215 -7.721 1.00 10.81 C ATOM 602 CD PRO A 38 -7.259 1.480 -7.509 1.00 12.00 C ATOM 0 HA PRO A 38 -6.282 2.310 -4.780 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.463 4.261 -7.164 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.013 3.681 -6.370 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.810 2.570 -8.746 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.066 1.567 -7.517 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.974 1.770 -8.279 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.116 0.403 -7.596 1.00 12.00 H new ATOM 610 N ASP A 39 -8.843 4.124 -5.403 1.00 11.20 N ATOM 611 CA ASP A 39 -9.828 5.061 -4.928 1.00 14.96 C ATOM 612 C ASP A 39 -10.221 4.737 -3.514 1.00 13.99 C ATOM 613 O ASP A 39 -10.608 5.631 -2.736 1.00 13.75 O ATOM 614 CB ASP A 39 -11.129 5.017 -5.803 1.00 24.16 C ATOM 615 CG ASP A 39 -10.838 5.626 -7.124 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.509 6.826 -7.172 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.956 4.909 -8.172 1.00 35.55 O ATOM 0 H ASP A 39 -9.179 3.602 -6.212 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.377 6.052 -4.987 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.465 3.988 -5.928 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.935 5.558 -5.308 1.00 24.16 H new ATOM 622 N GLN A 40 -10.181 3.467 -3.097 1.00 11.60 N ATOM 623 CA GLN A 40 -10.640 2.994 -1.791 1.00 10.76 C ATOM 624 C GLN A 40 -9.473 2.824 -0.812 1.00 8.01 C ATOM 625 O GLN A 40 -9.688 2.560 0.357 1.00 8.96 O ATOM 626 CB GLN A 40 -11.355 1.620 -1.970 1.00 11.14 C ATOM 627 CG GLN A 40 -12.240 1.170 -0.743 1.00 14.85 C ATOM 628 CD GLN A 40 -12.994 -0.146 -1.100 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.968 -1.167 -0.403 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.721 -0.101 -2.230 1.00 18.16 N ATOM 0 H GLN A 40 -9.815 2.716 -3.682 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.325 3.737 -1.381 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.986 1.668 -2.857 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.601 0.855 -2.156 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.612 1.015 0.134 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.954 1.953 -0.490 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.733 0.748 -2.795 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.260 -0.916 -2.522 1.00 18.16 H new ATOM 639 N GLN A 41 -8.254 2.980 -1.300 1.00 6.52 N ATOM 640 CA GLN A 41 -7.102 2.500 -0.541 1.00 3.87 C ATOM 641 C GLN A 41 -6.322 3.579 0.222 1.00 4.79 C ATOM 642 O GLN A 41 -5.787 4.478 -0.317 1.00 6.34 O ATOM 643 CB GLN A 41 -6.164 1.670 -1.429 1.00 4.20 C ATOM 644 CG GLN A 41 -6.802 0.357 -1.997 1.00 3.20 C ATOM 645 CD GLN A 41 -5.696 -0.401 -2.808 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.536 -0.608 -2.355 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.000 -0.862 -4.038 1.00 7.13 N ATOM 0 H GLN A 41 -8.035 3.422 -2.193 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.529 1.865 0.235 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.832 2.288 -2.263 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.276 1.408 -0.853 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.177 -0.268 -1.186 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.652 0.591 -2.638 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.931 -0.707 -4.425 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.299 -1.366 -4.581 1.00 7.13 H new ATOM 656 N ARG A 42 -6.180 3.413 1.491 1.00 5.73 N ATOM 657 CA ARG A 42 -5.281 4.208 2.343 1.00 6.97 C ATOM 658 C ARG A 42 -4.137 3.279 2.857 1.00 7.15 C ATOM 659 O ARG A 42 -4.424 2.293 3.552 1.00 7.33 O ATOM 660 CB ARG A 42 -5.915 4.951 3.532 1.00 13.23 C ATOM 661 CG ARG A 42 -6.718 6.171 3.162 1.00 21.27 C ATOM 662 CD ARG A 42 -7.020 6.960 4.419 1.00 26.14 C ATOM 663 NE ARG A 42 -7.586 8.312 3.966 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.798 8.807 4.235 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.579 8.252 5.146 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.145 9.889 3.546 1.00 36.39 N ATOM 0 H ARG A 42 -6.693 2.701 2.010 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.924 5.012 1.699 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.561 4.259 4.072 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.123 5.250 4.219 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.163 6.787 2.455 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.645 5.877 2.670 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.738 6.430 5.045 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.118 7.098 5.015 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.971 8.896 3.399 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.260 7.430 5.659 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.501 8.646 5.336 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.500 10.288 2.864 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.056 10.321 3.700 1.00 36.39 H new ATOM 680 N LEU A 43 -2.881 3.614 2.594 1.00 4.65 N ATOM 681 CA LEU A 43 -1.793 2.791 2.983 1.00 3.51 C ATOM 682 C LEU A 43 -0.972 3.564 4.081 1.00 5.56 C ATOM 683 O LEU A 43 -0.839 4.791 4.027 1.00 4.19 O ATOM 684 CB LEU A 43 -0.868 2.452 1.790 1.00 3.74 C ATOM 685 CG LEU A 43 -1.330 1.354 0.847 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.574 1.248 -0.504 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.319 -0.046 1.525 1.00 6.41 C ATOM 0 H LEU A 43 -2.610 4.467 2.105 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.183 1.849 3.367 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.722 3.361 1.206 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.107 2.169 2.187 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.347 1.667 0.610 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.991 0.430 -1.091 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.681 2.182 -1.055 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.483 1.057 -0.316 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.657 -0.798 0.812 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.307 -0.284 1.851 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.986 -0.038 2.387 1.00 6.41 H new ATOM 699 N ILE A 44 -0.540 2.817 5.085 1.00 4.58 N ATOM 700 CA ILE A 44 0.095 3.404 6.231 1.00 5.55 C ATOM 701 C ILE A 44 1.311 2.566 6.549 1.00 5.46 C ATOM 702 O ILE A 44 1.227 1.337 6.630 1.00 6.04 O ATOM 703 CB ILE A 44 -0.763 3.483 7.478 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.180 4.016 7.120 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.043 4.348 8.486 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.006 4.061 8.390 1.00 13.90 C ATOM 0 H ILE A 44 -0.623 1.801 5.120 1.00 4.58 H new ATOM 0 HA ILE A 44 0.325 4.436 5.965 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.962 2.516 7.939 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.111 5.009 6.676 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.654 3.369 6.382 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.521 4.446 9.413 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.000 3.869 8.692 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.216 5.336 8.060 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.005 4.432 8.161 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.079 3.059 8.812 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.529 4.724 9.111 1.00 13.90 H new ATOM 718 N PHE A 45 2.481 3.202 6.622 1.00 6.75 N ATOM 719 CA PHE A 45 3.772 2.579 7.036 1.00 4.70 C ATOM 720 C PHE A 45 4.575 3.764 7.707 1.00 6.34 C ATOM 721 O PHE A 45 4.386 4.931 7.376 1.00 5.45 O ATOM 722 CB PHE A 45 4.660 1.992 5.926 1.00 5.51 C ATOM 723 CG PHE A 45 6.017 1.436 6.297 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.108 0.078 6.675 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.174 2.194 6.159 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.331 -0.524 6.856 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.411 1.666 6.514 1.00 6.64 C ATOM 728 CZ PHE A 45 8.477 0.292 6.760 1.00 6.84 C ATOM 0 H PHE A 45 2.576 4.191 6.392 1.00 6.75 H new ATOM 0 HA PHE A 45 3.532 1.721 7.664 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.098 1.194 5.441 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.815 2.772 5.180 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.205 -0.495 6.824 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.112 3.201 5.773 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.411 -1.581 7.064 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.286 2.293 6.596 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.448 -0.165 6.882 1.00 6.84 H new ATOM 738 N ALA A 46 5.431 3.426 8.710 1.00 6.53 N ATOM 739 CA ALA A 46 6.241 4.352 9.460 1.00 7.15 C ATOM 740 C ALA A 46 5.363 5.277 10.294 1.00 9.00 C ATOM 741 O ALA A 46 5.768 6.314 10.782 1.00 11.15 O ATOM 742 CB ALA A 46 7.311 5.071 8.598 1.00 8.99 C ATOM 0 H ALA A 46 5.561 2.459 9.008 1.00 6.53 H new ATOM 0 HA ALA A 46 6.841 3.780 10.168 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.885 5.753 9.225 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.981 4.332 8.158 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.820 5.634 7.804 1.00 8.99 H new ATOM 748 N GLY A 47 4.132 4.854 10.590 1.00 9.35 N ATOM 749 CA GLY A 47 3.161 5.675 11.330 1.00 11.68 C ATOM 750 C GLY A 47 2.531 6.755 10.545 1.00 11.14 C ATOM 751 O GLY A 47 1.799 7.607 11.033 1.00 13.93 O ATOM 0 H GLY A 47 3.777 3.935 10.326 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.378 5.024 11.718 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.663 6.117 12.191 1.00 11.68 H new ATOM 755 N LYS A 48 2.831 6.811 9.236 1.00 10.47 N ATOM 756 CA LYS A 48 2.493 7.869 8.318 1.00 8.82 C ATOM 757 C LYS A 48 1.607 7.303 7.172 1.00 7.68 C ATOM 758 O LYS A 48 1.933 6.283 6.598 1.00 6.47 O ATOM 759 CB LYS A 48 3.799 8.452 7.669 1.00 9.74 C ATOM 760 CG LYS A 48 4.592 9.270 8.777 1.00 14.14 C ATOM 761 CD LYS A 48 5.795 10.084 8.316 1.00 16.32 C ATOM 762 CE LYS A 48 7.060 9.198 8.121 1.00 20.04 C ATOM 763 NZ LYS A 48 8.220 10.034 7.773 1.00 23.92 N ATOM 0 H LYS A 48 3.350 6.061 8.779 1.00 10.47 H new ATOM 0 HA LYS A 48 1.962 8.647 8.867 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.419 7.646 7.277 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.548 9.099 6.828 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.891 9.949 9.262 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.932 8.567 9.537 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.556 10.585 7.378 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.008 10.863 9.048 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.266 8.640 9.035 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.882 8.466 7.334 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.057 9.430 7.646 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.026 10.547 6.890 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.398 10.716 8.538 1.00 23.92 H new ATOM 777 N GLN A 49 0.467 7.992 6.800 1.00 8.89 N ATOM 778 CA GLN A 49 -0.356 7.603 5.672 1.00 7.18 C ATOM 779 C GLN A 49 0.460 8.043 4.434 1.00 8.23 C ATOM 780 O GLN A 49 1.054 9.127 4.446 1.00 9.70 O ATOM 781 CB GLN A 49 -1.747 8.184 5.667 1.00 11.67 C ATOM 782 CG GLN A 49 -2.730 7.997 6.878 1.00 15.82 C ATOM 783 CD GLN A 49 -4.083 8.777 6.599 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.479 9.014 5.443 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.855 9.090 7.654 1.00 20.67 N ATOM 0 H GLN A 49 0.127 8.819 7.292 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.553 6.531 5.701 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.639 9.258 5.512 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.252 7.784 4.787 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.935 6.938 7.031 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.268 8.367 7.793 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.529 8.895 8.600 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.767 9.523 7.508 1.00 20.67 H new ATOM 794 N LEU A 50 0.450 7.243 3.343 1.00 6.51 N ATOM 795 CA LEU A 50 1.548 7.279 2.305 1.00 7.41 C ATOM 796 C LEU A 50 1.048 7.967 1.078 1.00 8.27 C ATOM 797 O LEU A 50 -0.040 7.688 0.625 1.00 8.34 O ATOM 798 CB LEU A 50 2.079 5.856 1.931 1.00 7.13 C ATOM 799 CG LEU A 50 2.562 4.938 3.084 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.974 3.552 2.525 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.723 5.511 3.953 1.00 9.11 C ATOM 0 H LEU A 50 -0.288 6.568 3.145 1.00 6.51 H new ATOM 0 HA LEU A 50 2.385 7.827 2.739 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.286 5.333 1.396 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.907 5.980 1.233 1.00 7.13 H new ATOM 0 HG LEU A 50 1.706 4.858 3.754 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.311 2.915 3.343 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.118 3.089 2.034 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.782 3.676 1.804 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.985 4.792 4.730 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.592 5.697 3.322 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.404 6.445 4.416 1.00 9.11 H new ATOM 813 N GLU A 51 1.883 8.802 0.460 1.00 9.43 N ATOM 814 CA GLU A 51 1.511 9.667 -0.638 1.00 11.90 C ATOM 815 C GLU A 51 1.877 9.004 -1.924 1.00 11.49 C ATOM 816 O GLU A 51 3.023 8.630 -2.218 1.00 9.88 O ATOM 817 CB GLU A 51 2.303 10.973 -0.675 1.00 16.56 C ATOM 818 CG GLU A 51 2.252 11.951 0.545 1.00 26.06 C ATOM 819 CD GLU A 51 3.235 12.966 0.210 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.139 13.595 -0.923 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.200 13.221 0.913 1.00 32.13 O ATOM 0 H GLU A 51 2.864 8.891 0.724 1.00 9.43 H new ATOM 0 HA GLU A 51 0.447 9.862 -0.506 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.349 10.714 -0.840 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.971 11.530 -1.551 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.259 12.381 0.673 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.501 11.443 1.477 1.00 26.06 H new ATOM 828 N ASP A 52 0.896 8.963 -2.917 1.00 12.71 N ATOM 829 CA ASP A 52 0.773 8.399 -4.192 1.00 16.56 C ATOM 830 C ASP A 52 2.038 8.482 -5.115 1.00 15.83 C ATOM 831 O ASP A 52 2.476 7.507 -5.653 1.00 17.21 O ATOM 832 CB ASP A 52 -0.366 9.036 -4.978 1.00 21.05 C ATOM 833 CG ASP A 52 -1.702 9.080 -4.242 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.740 9.639 -3.084 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.687 8.535 -4.760 1.00 25.82 O ATOM 0 H ASP A 52 0.025 9.453 -2.714 1.00 12.71 H new ATOM 0 HA ASP A 52 0.596 7.349 -3.959 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.080 10.053 -5.245 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.498 8.486 -5.910 1.00 21.05 H new ATOM 840 N GLY A 53 2.656 9.654 -5.201 1.00 15.00 N ATOM 841 CA GLY A 53 3.825 9.860 -6.063 1.00 11.77 C ATOM 842 C GLY A 53 5.162 9.643 -5.381 1.00 11.10 C ATOM 843 O GLY A 53 6.183 9.812 -6.012 1.00 11.25 O ATOM 0 H GLY A 53 2.368 10.484 -4.683 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.754 9.185 -6.916 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.794 10.876 -6.457 1.00 11.77 H new ATOM 847 N ARG A 54 5.193 9.352 -4.043 1.00 8.53 N ATOM 848 CA ARG A 54 6.382 8.884 -3.452 1.00 9.05 C ATOM 849 C ARG A 54 6.652 7.397 -3.746 1.00 8.96 C ATOM 850 O ARG A 54 5.743 6.608 -3.997 1.00 11.60 O ATOM 851 CB ARG A 54 6.294 9.056 -1.938 1.00 7.97 C ATOM 852 CG ARG A 54 6.294 10.579 -1.619 1.00 9.62 C ATOM 853 CD ARG A 54 6.703 10.835 -0.112 1.00 12.20 C ATOM 854 NE ARG A 54 6.629 12.319 0.011 1.00 18.23 N ATOM 855 CZ ARG A 54 7.631 13.243 -0.151 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.835 12.827 -0.454 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.375 14.516 0.049 1.00 23.38 N ATOM 0 H ARG A 54 4.400 9.447 -3.408 1.00 8.53 H new ATOM 0 HA ARG A 54 7.197 9.468 -3.879 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.387 8.588 -1.555 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.137 8.566 -1.450 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.989 11.094 -2.282 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.305 10.995 -1.808 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.023 10.339 0.580 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.704 10.462 0.103 1.00 12.20 H new ATOM 0 HE ARG A 54 5.712 12.698 0.247 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.017 11.830 -0.566 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.591 13.500 -0.578 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.438 14.811 0.322 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.114 15.209 -0.069 1.00 23.38 H new ATOM 871 N THR A 55 7.966 7.006 -3.754 1.00 9.05 N ATOM 872 CA THR A 55 8.302 5.575 -3.931 1.00 9.03 C ATOM 873 C THR A 55 8.491 4.778 -2.584 1.00 8.15 C ATOM 874 O THR A 55 8.637 5.353 -1.550 1.00 5.91 O ATOM 875 CB THR A 55 9.444 5.237 -4.844 1.00 11.15 C ATOM 876 OG1 THR A 55 10.645 5.917 -4.397 1.00 11.95 O ATOM 877 CG2 THR A 55 9.118 5.796 -6.216 1.00 11.71 C ATOM 0 H THR A 55 8.764 7.632 -3.645 1.00 9.05 H new ATOM 0 HA THR A 55 7.394 5.248 -4.438 1.00 9.03 H new ATOM 0 HB THR A 55 9.594 4.157 -4.856 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.362 5.262 -4.264 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.931 5.567 -6.905 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.195 5.347 -6.582 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.994 6.877 -6.148 1.00 11.71 H new ATOM 885 N LEU A 56 8.594 3.412 -2.736 1.00 6.91 N ATOM 886 CA LEU A 56 8.925 2.466 -1.676 1.00 8.29 C ATOM 887 C LEU A 56 10.318 2.759 -1.124 1.00 8.05 C ATOM 888 O LEU A 56 10.569 2.739 0.106 1.00 10.17 O ATOM 889 CB LEU A 56 8.966 1.065 -2.233 1.00 6.60 C ATOM 890 CG LEU A 56 7.523 0.513 -2.579 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.719 -0.639 -3.485 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.713 0.128 -1.352 1.00 8.64 C ATOM 0 H LEU A 56 8.439 2.955 -3.635 1.00 6.91 H new ATOM 0 HA LEU A 56 8.169 2.560 -0.897 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.583 1.052 -3.132 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.442 0.403 -1.510 1.00 6.60 H new ATOM 0 HG LEU A 56 6.936 1.299 -3.054 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.750 -1.058 -3.755 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.236 -0.309 -4.386 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.316 -1.400 -2.982 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.736 -0.242 -1.662 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.237 -0.652 -0.800 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.584 1.001 -0.712 1.00 8.64 H new ATOM 904 N SER A 57 11.334 3.007 -1.928 1.00 8.92 N ATOM 905 CA SER A 57 12.674 3.422 -1.604 1.00 9.00 C ATOM 906 C SER A 57 12.660 4.755 -0.827 1.00 9.44 C ATOM 907 O SER A 57 13.263 4.842 0.211 1.00 10.91 O ATOM 908 CB SER A 57 13.677 3.503 -2.765 1.00 10.32 C ATOM 909 OG SER A 57 13.205 4.273 -3.888 1.00 13.59 O ATOM 0 H SER A 57 11.220 2.910 -2.937 1.00 8.92 H new ATOM 0 HA SER A 57 13.047 2.606 -0.985 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.606 3.941 -2.400 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.912 2.493 -3.102 1.00 10.32 H new ATOM 0 HG SER A 57 13.891 4.285 -4.588 1.00 13.59 H new ATOM 915 N ASP A 58 11.844 5.724 -1.226 1.00 9.11 N ATOM 916 CA ASP A 58 11.544 6.964 -0.480 1.00 7.91 C ATOM 917 C ASP A 58 10.997 6.753 0.956 1.00 9.12 C ATOM 918 O ASP A 58 11.508 7.314 1.948 1.00 8.61 O ATOM 919 CB ASP A 58 10.724 7.999 -1.369 1.00 8.41 C ATOM 920 CG ASP A 58 10.982 9.468 -0.977 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.141 9.942 -1.064 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.952 10.140 -0.688 1.00 11.70 O ATOM 0 H ASP A 58 11.347 5.675 -2.115 1.00 9.11 H new ATOM 0 HA ASP A 58 12.507 7.435 -0.281 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.987 7.857 -2.417 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.659 7.786 -1.276 1.00 8.41 H new ATOM 927 N TYR A 59 10.035 5.878 1.183 1.00 7.97 N ATOM 928 CA TYR A 59 9.465 5.587 2.476 1.00 8.45 C ATOM 929 C TYR A 59 10.217 4.523 3.247 1.00 10.98 C ATOM 930 O TYR A 59 9.781 4.141 4.327 1.00 12.95 O ATOM 931 CB TYR A 59 8.003 5.179 2.318 1.00 7.94 C ATOM 932 CG TYR A 59 7.005 6.282 2.359 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.795 7.111 3.521 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.298 6.646 1.185 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.862 8.149 3.530 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.312 7.646 1.284 1.00 6.52 C ATOM 937 CZ TYR A 59 5.134 8.427 2.386 1.00 6.76 C ATOM 938 OH TYR A 59 4.176 9.452 2.409 1.00 7.63 O ATOM 0 H TYR A 59 9.614 5.328 0.434 1.00 7.97 H new ATOM 0 HA TYR A 59 9.544 6.503 3.061 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.894 4.654 1.369 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.759 4.467 3.106 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.377 6.923 4.411 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.510 6.169 0.240 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.709 8.733 4.426 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.659 7.803 0.438 1.00 6.52 H new ATOM 0 HH TYR A 59 4.622 10.319 2.311 1.00 7.63 H new ATOM 948 N ASN A 60 11.431 4.079 2.820 1.00 12.38 N ATOM 949 CA ASN A 60 12.301 3.112 3.421 1.00 13.94 C ATOM 950 C ASN A 60 11.599 1.783 3.718 1.00 14.16 C ATOM 951 O ASN A 60 11.962 1.058 4.647 1.00 14.26 O ATOM 952 CB ASN A 60 13.017 3.818 4.635 1.00 19.23 C ATOM 953 CG ASN A 60 13.657 5.075 4.177 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.532 5.116 3.303 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.204 6.203 4.811 1.00 24.09 N ATOM 0 H ASN A 60 11.836 4.446 1.958 1.00 12.38 H new ATOM 0 HA ASN A 60 13.078 2.787 2.729 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.293 4.033 5.421 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.766 3.153 5.064 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.590 7.115 4.567 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.481 6.130 5.527 1.00 24.09 H new ATOM 962 N ILE A 61 10.679 1.402 2.808 1.00 11.08 N ATOM 963 CA ILE A 61 10.095 0.084 2.782 1.00 11.78 C ATOM 964 C ILE A 61 11.069 -0.935 2.227 1.00 13.74 C ATOM 965 O ILE A 61 11.174 -1.045 0.999 1.00 14.60 O ATOM 966 CB ILE A 61 8.739 0.184 2.014 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.801 1.129 2.734 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.180 -1.246 2.069 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.551 1.601 1.985 1.00 11.42 C ATOM 0 H ILE A 61 10.331 2.019 2.074 1.00 11.08 H new ATOM 0 HA ILE A 61 9.880 -0.281 3.786 1.00 11.78 H new ATOM 0 HB ILE A 61 8.856 0.559 0.997 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.477 0.643 3.654 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.371 2.012 3.024 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.221 -1.282 1.553 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.878 -1.929 1.585 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.044 -1.544 3.109 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.976 2.271 2.624 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.848 2.129 1.079 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.939 0.739 1.719 1.00 11.42 H new ATOM 981 N GLN A 62 11.853 -1.599 3.095 1.00 13.97 N ATOM 982 CA GLN A 62 12.673 -2.808 2.711 1.00 15.52 C ATOM 983 C GLN A 62 11.898 -4.120 2.609 1.00 13.94 C ATOM 984 O GLN A 62 10.689 -4.225 2.816 1.00 12.15 O ATOM 985 CB GLN A 62 13.851 -2.990 3.727 1.00 19.53 C ATOM 986 CG GLN A 62 14.999 -1.954 3.469 1.00 26.38 C ATOM 987 CD GLN A 62 16.060 -2.101 4.541 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.758 -2.776 5.557 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.304 -1.678 4.290 1.00 32.71 N ATOM 0 H GLN A 62 11.950 -1.333 4.075 1.00 13.97 H new ATOM 0 HA GLN A 62 13.032 -2.597 1.704 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.477 -2.874 4.744 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.248 -4.002 3.647 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.436 -2.117 2.484 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.598 -0.941 3.476 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.497 -1.132 3.450 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.059 -1.901 4.938 1.00 32.71 H new ATOM 998 N LYS A 63 12.600 -5.235 2.226 1.00 11.73 N ATOM 999 CA LYS A 63 12.125 -6.652 2.298 1.00 11.97 C ATOM 1000 C LYS A 63 11.389 -7.121 3.557 1.00 10.41 C ATOM 1001 O LYS A 63 11.868 -6.905 4.689 1.00 9.59 O ATOM 1002 CB LYS A 63 13.205 -7.757 1.867 1.00 13.73 C ATOM 1003 CG LYS A 63 14.339 -7.895 2.866 1.00 16.98 C ATOM 1004 CD LYS A 63 15.181 -9.107 2.361 1.00 20.19 C ATOM 1005 CE LYS A 63 16.453 -9.402 3.256 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.467 -10.205 2.548 1.00 25.97 N ATOM 0 H LYS A 63 13.544 -5.165 1.846 1.00 11.73 H new ATOM 0 HA LYS A 63 11.352 -6.579 1.533 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.707 -8.720 1.755 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.616 -7.495 0.892 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.941 -6.987 2.907 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.959 -8.071 3.872 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.549 -9.995 2.336 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.502 -8.916 1.337 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.897 -8.458 3.572 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.144 -9.928 4.159 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.279 -10.371 3.176 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.054 -11.117 2.268 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.784 -9.694 1.700 1.00 25.97 H new ATOM 1020 N GLU A 64 10.178 -7.717 3.306 1.00 10.04 N ATOM 1021 CA GLU A 64 9.421 -8.471 4.297 1.00 10.94 C ATOM 1022 C GLU A 64 8.774 -7.549 5.308 1.00 9.74 C ATOM 1023 O GLU A 64 8.184 -7.967 6.301 1.00 9.42 O ATOM 1024 CB GLU A 64 10.299 -9.651 4.966 1.00 18.31 C ATOM 1025 CG GLU A 64 10.742 -10.627 3.840 1.00 24.16 C ATOM 1026 CD GLU A 64 11.502 -11.817 4.334 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.876 -11.916 5.559 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.724 -12.709 3.481 1.00 32.61 O ATOM 0 H GLU A 64 9.719 -7.672 2.396 1.00 10.04 H new ATOM 0 HA GLU A 64 8.606 -8.979 3.781 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.170 -9.236 5.473 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.714 -10.180 5.719 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.859 -10.970 3.302 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.360 -10.084 3.125 1.00 24.16 H new ATOM 1035 N SER A 65 8.774 -6.210 4.973 1.00 6.85 N ATOM 1036 CA SER A 65 8.034 -5.146 5.698 1.00 6.90 C ATOM 1037 C SER A 65 6.573 -5.442 5.592 1.00 4.72 C ATOM 1038 O SER A 65 6.079 -5.862 4.549 1.00 3.91 O ATOM 1039 CB SER A 65 8.151 -3.654 5.131 1.00 7.28 C ATOM 1040 OG SER A 65 9.480 -3.198 5.091 1.00 10.56 O ATOM 0 H SER A 65 9.301 -5.850 4.177 1.00 6.85 H new ATOM 0 HA SER A 65 8.477 -5.165 6.694 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.726 -3.615 4.128 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.559 -2.984 5.754 1.00 7.28 H new ATOM 0 HG SER A 65 9.924 -3.553 4.293 1.00 10.56 H new ATOM 1046 N THR A 66 5.776 -5.027 6.588 1.00 4.48 N ATOM 1047 CA THR A 66 4.312 -5.182 6.634 1.00 3.80 C ATOM 1048 C THR A 66 3.740 -3.782 6.735 1.00 4.60 C ATOM 1049 O THR A 66 4.276 -2.913 7.443 1.00 5.33 O ATOM 1050 CB THR A 66 3.864 -6.017 7.816 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.489 -7.255 7.873 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.337 -6.312 7.642 1.00 3.40 C ATOM 0 H THR A 66 6.146 -4.557 7.414 1.00 4.48 H new ATOM 0 HA THR A 66 3.962 -5.704 5.743 1.00 3.80 H new ATOM 0 HB THR A 66 4.108 -5.456 8.718 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.164 -7.750 8.654 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.985 -6.913 8.480 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.786 -5.372 7.613 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.175 -6.857 6.712 1.00 3.40 H new ATOM 1060 N LEU A 67 2.655 -3.553 6.003 1.00 4.17 N ATOM 1061 CA LEU A 67 1.947 -2.297 5.747 1.00 3.85 C ATOM 1062 C LEU A 67 0.412 -2.429 6.016 1.00 3.80 C ATOM 1063 O LEU A 67 -0.195 -3.468 5.757 1.00 5.54 O ATOM 1064 CB LEU A 67 2.114 -1.844 4.279 1.00 7.18 C ATOM 1065 CG LEU A 67 3.569 -1.492 3.808 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.102 -2.505 2.817 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.480 -0.163 3.095 1.00 11.66 C ATOM 0 H LEU A 67 2.198 -4.326 5.520 1.00 4.17 H new ATOM 0 HA LEU A 67 2.386 -1.566 6.426 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.730 -2.634 3.634 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.484 -0.969 4.120 1.00 7.18 H new ATOM 0 HG LEU A 67 4.232 -1.478 4.673 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.111 -2.224 2.517 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.123 -3.491 3.280 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.456 -2.530 1.939 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.470 0.129 2.745 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.806 -0.252 2.243 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.100 0.593 3.781 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.215 -1.344 6.472 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.537 -1.389 7.103 1.00 4.17 C ATOM 1081 C HIS A 68 -2.408 -0.783 6.048 1.00 5.32 C ATOM 1082 O HIS A 68 -2.153 0.292 5.531 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.656 -0.483 8.392 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.566 -0.686 9.414 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.703 -0.125 9.176 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.475 -1.437 10.522 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.442 -0.549 10.184 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.823 -1.339 11.013 1.00 16.30 N ATOM 0 H HIS A 68 0.180 -0.405 6.414 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.782 -2.401 7.424 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.655 0.563 8.085 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.619 -0.675 8.866 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.987 0.473 8.400 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.273 -2.019 10.958 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.476 -0.264 10.311 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.359 -1.641 5.601 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.328 -1.250 4.615 1.00 3.97 C ATOM 1098 C LEU A 69 -5.583 -0.717 5.284 1.00 5.07 C ATOM 1099 O LEU A 69 -6.165 -1.435 6.121 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.832 -2.434 3.753 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.712 -2.111 2.530 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.124 -1.143 1.469 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.979 -3.395 1.764 1.00 9.96 C ATOM 0 H LEU A 69 -3.453 -2.604 5.925 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.814 -0.511 4.000 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.961 -2.987 3.402 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.395 -3.105 4.402 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.582 -1.626 2.973 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.846 -1.003 0.664 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.908 -0.181 1.934 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.204 -1.564 1.062 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.601 -3.178 0.896 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.033 -3.825 1.434 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.494 -4.105 2.412 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.066 0.495 5.013 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.242 1.075 5.590 1.00 6.26 C ATOM 1117 C VAL A 70 -8.110 1.408 4.395 1.00 9.22 C ATOM 1118 O VAL A 70 -7.733 1.977 3.382 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.986 2.255 6.546 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.260 2.555 7.368 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.768 1.970 7.474 1.00 8.54 C ATOM 0 H VAL A 70 -5.611 1.119 4.347 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.735 0.382 6.271 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.742 3.137 5.954 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.070 3.391 8.041 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.077 2.811 6.693 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.533 1.675 7.950 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.610 2.820 8.138 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.964 1.077 8.067 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.876 1.814 6.867 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.334 0.846 4.451 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.241 1.021 3.356 1.00 16.06 C ATOM 1133 C LEU A 71 -11.382 2.019 3.699 1.00 18.09 C ATOM 1134 O LEU A 71 -12.199 1.794 4.599 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.813 -0.340 2.902 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.782 -1.331 2.424 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.443 -2.640 1.928 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.812 -0.795 1.411 1.00 19.57 C ATOM 0 H LEU A 71 -9.688 0.288 5.228 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.677 1.453 2.529 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.364 -0.782 3.732 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.530 -0.167 2.100 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.178 -1.550 3.305 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.671 -3.332 1.591 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.007 -3.094 2.743 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.117 -2.417 1.101 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.110 -1.580 1.128 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.356 -0.459 0.528 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.264 0.044 1.840 1.00 19.57 H new