USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 485 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 26 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.75) USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0.0324 K(o=-0.58,f=-2.8) USER MOD Set 2.2: A 27 GLN : amide:sc= -0.178 K(o=-0.58,f=-3.3) USER MOD Set 2.3: A 45 ASN : amide:sc= -0.438 K(o=-0.58,f=-3.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -114:sc= -0.322 (180deg=-1.16) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0582) USER MOD Single : A 31 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.526 K(o=-0.53,f=-3.3!) USER MOD Single : A 44 SER OG : rot 26:sc= 0.128 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00961) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -13.936 -6.092 -3.209 1.00 0.00 N ATOM 35 CA LEU A 3 -12.545 -6.011 -2.767 1.00 0.00 C ATOM 36 C LEU A 3 -11.927 -7.397 -2.498 1.00 0.00 C ATOM 37 O LEU A 3 -12.629 -8.411 -2.482 1.00 0.00 O ATOM 38 CB LEU A 3 -12.426 -5.051 -1.560 1.00 0.00 C ATOM 39 CG LEU A 3 -13.218 -5.331 -0.261 1.00 0.00 C ATOM 40 CD1 LEU A 3 -14.741 -5.173 -0.409 1.00 0.00 C ATOM 41 CD2 LEU A 3 -12.874 -6.674 0.401 1.00 0.00 C ATOM 0 HA LEU A 3 -11.953 -5.594 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.371 -5.000 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.715 -4.059 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.879 -4.544 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.223 -5.386 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.973 -4.152 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.107 -5.868 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.470 -6.797 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.092 -7.487 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.815 -6.692 0.659 1.00 0.00 H new ATOM 53 N ARG A 4 -10.600 -7.441 -2.290 1.00 0.00 N ATOM 54 CA ARG A 4 -9.852 -8.673 -2.052 1.00 0.00 C ATOM 55 C ARG A 4 -8.739 -8.537 -1.011 1.00 0.00 C ATOM 56 O ARG A 4 -8.387 -7.439 -0.578 1.00 0.00 O ATOM 57 CB ARG A 4 -9.327 -9.216 -3.396 1.00 0.00 C ATOM 58 CG ARG A 4 -8.293 -8.337 -4.127 1.00 0.00 C ATOM 59 CD ARG A 4 -8.852 -7.094 -4.839 1.00 0.00 C ATOM 60 NE ARG A 4 -9.924 -7.438 -5.786 1.00 0.00 N ATOM 61 CZ ARG A 4 -10.820 -6.588 -6.320 1.00 0.00 C ATOM 62 NH1 ARG A 4 -10.858 -5.293 -5.977 1.00 0.00 N ATOM 63 NH2 ARG A 4 -11.699 -7.047 -7.220 1.00 0.00 N ATOM 0 H ARG A 4 -10.014 -6.606 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.542 -9.393 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.881 -10.195 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.178 -9.368 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.545 -8.012 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.777 -8.953 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.234 -6.393 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.047 -6.588 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.995 -8.417 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.195 -4.927 -5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.549 -4.674 -6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.684 -8.030 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.384 -6.414 -7.633 1.00 0.00 H new ATOM 77 N LYS A 5 -8.193 -9.704 -0.623 1.00 0.00 N ATOM 78 CA LYS A 5 -7.129 -9.870 0.363 1.00 0.00 C ATOM 79 C LYS A 5 -5.820 -9.177 -0.009 1.00 0.00 C ATOM 80 O LYS A 5 -4.951 -9.037 0.849 1.00 0.00 O ATOM 81 CB LYS A 5 -6.911 -11.365 0.660 1.00 0.00 C ATOM 82 CG LYS A 5 -8.154 -12.009 1.295 1.00 0.00 C ATOM 83 CD LYS A 5 -7.889 -13.478 1.654 1.00 0.00 C ATOM 84 CE LYS A 5 -9.127 -14.112 2.302 1.00 0.00 C ATOM 85 NZ LYS A 5 -8.890 -15.521 2.662 1.00 0.00 N ATOM 0 H LYS A 5 -8.502 -10.595 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.466 -9.366 1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.664 -11.887 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.059 -11.482 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.436 -11.457 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.994 -11.946 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.618 -14.033 0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.042 -13.543 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.400 -13.549 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.971 -14.049 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.748 -15.917 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.654 -16.063 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.101 -15.579 3.337 1.00 0.00 H new ATOM 99 N LEU A 6 -5.678 -8.734 -1.263 1.00 0.00 N ATOM 100 CA LEU A 6 -4.523 -7.985 -1.744 1.00 0.00 C ATOM 101 C LEU A 6 -4.352 -6.727 -0.871 1.00 0.00 C ATOM 102 O LEU A 6 -3.237 -6.331 -0.540 1.00 0.00 O ATOM 103 CB LEU A 6 -4.746 -7.649 -3.235 1.00 0.00 C ATOM 104 CG LEU A 6 -3.547 -7.192 -4.086 1.00 0.00 C ATOM 105 CD1 LEU A 6 -2.885 -5.920 -3.556 1.00 0.00 C ATOM 106 CD2 LEU A 6 -2.507 -8.306 -4.267 1.00 0.00 C ATOM 0 H LEU A 6 -6.382 -8.892 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.603 -8.565 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.169 -8.533 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.503 -6.866 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.963 -6.953 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.047 -5.651 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.612 -5.108 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.523 -6.093 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.680 -7.937 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.131 -8.615 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.970 -9.158 -4.764 1.00 0.00 H new ATOM 118 N CYS A 7 -5.486 -6.159 -0.440 1.00 0.00 N ATOM 119 CA CYS A 7 -5.551 -4.958 0.399 1.00 0.00 C ATOM 120 C CYS A 7 -5.402 -5.269 1.900 1.00 0.00 C ATOM 121 O CYS A 7 -5.190 -4.348 2.689 1.00 0.00 O ATOM 122 CB CYS A 7 -6.865 -4.220 0.117 1.00 0.00 C ATOM 123 SG CYS A 7 -6.913 -3.443 -1.523 1.00 0.00 S ATOM 0 H CYS A 7 -6.406 -6.533 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.705 -4.321 0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.694 -4.922 0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.015 -3.455 0.879 1.00 0.00 H new ATOM 128 N ILE A 8 -5.506 -6.545 2.293 1.00 0.00 N ATOM 129 CA ILE A 8 -5.389 -7.027 3.669 1.00 0.00 C ATOM 130 C ILE A 8 -3.939 -7.464 3.978 1.00 0.00 C ATOM 131 O ILE A 8 -3.593 -7.597 5.151 1.00 0.00 O ATOM 132 CB ILE A 8 -6.412 -8.170 3.889 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.851 -7.753 3.492 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.412 -8.654 5.352 1.00 0.00 C ATOM 135 CD1 ILE A 8 -8.408 -6.540 4.245 1.00 0.00 C ATOM 0 H ILE A 8 -5.682 -7.300 1.630 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.620 -6.222 4.367 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.096 -8.986 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.868 -7.537 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.517 -8.600 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.141 -9.456 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.420 -9.024 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.675 -7.825 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.419 -6.328 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.430 -6.754 5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.772 -5.674 4.061 1.00 0.00 H new ATOM 147 N LEU A 9 -3.081 -7.671 2.959 1.00 0.00 N ATOM 148 CA LEU A 9 -1.683 -8.074 3.133 1.00 0.00 C ATOM 149 C LEU A 9 -0.853 -6.916 3.685 1.00 0.00 C ATOM 150 O LEU A 9 -0.021 -7.098 4.572 1.00 0.00 O ATOM 151 CB LEU A 9 -1.080 -8.530 1.791 1.00 0.00 C ATOM 152 CG LEU A 9 -1.591 -9.879 1.252 1.00 0.00 C ATOM 153 CD1 LEU A 9 -1.142 -10.042 -0.210 1.00 0.00 C ATOM 154 CD2 LEU A 9 -1.074 -11.062 2.087 1.00 0.00 C ATOM 0 H LEU A 9 -3.349 -7.560 1.981 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.661 -8.903 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.281 -7.762 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.003 -8.591 1.902 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.679 -9.880 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.501 -10.996 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.553 -9.230 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.054 -10.016 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.458 -11.995 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.016 -11.076 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.413 -10.956 3.117 1.00 0.00 H new ATOM 166 N HIS A 10 -1.101 -5.740 3.107 1.00 0.00 N ATOM 167 CA HIS A 10 -0.484 -4.447 3.380 1.00 0.00 C ATOM 168 C HIS A 10 0.920 -4.382 2.769 1.00 0.00 C ATOM 169 O HIS A 10 1.518 -5.400 2.414 1.00 0.00 O ATOM 170 CB HIS A 10 -0.505 -4.108 4.883 1.00 0.00 C ATOM 171 CG HIS A 10 -1.910 -4.089 5.432 1.00 0.00 C ATOM 172 ND1 HIS A 10 -2.847 -3.176 4.953 1.00 0.00 N ATOM 173 CD2 HIS A 10 -2.506 -4.890 6.371 1.00 0.00 C ATOM 174 CE1 HIS A 10 -3.977 -3.487 5.586 1.00 0.00 C ATOM 175 NE2 HIS A 10 -3.829 -4.505 6.450 1.00 0.00 N ATOM 0 H HIS A 10 -1.802 -5.665 2.370 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.079 -3.672 2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.089 -4.840 5.429 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.039 -3.136 5.043 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.030 -5.674 6.941 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.914 -2.975 5.422 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.550 -4.912 7.045 1.00 0.00 H new ATOM 183 N ARG A 11 1.427 -3.151 2.632 1.00 0.00 N ATOM 184 CA ARG A 11 2.717 -2.796 2.080 1.00 0.00 C ATOM 185 C ARG A 11 3.881 -3.638 2.629 1.00 0.00 C ATOM 186 O ARG A 11 3.852 -4.091 3.775 1.00 0.00 O ATOM 187 CB ARG A 11 2.920 -1.294 2.344 1.00 0.00 C ATOM 188 CG ARG A 11 3.282 -0.855 3.777 1.00 0.00 C ATOM 189 CD ARG A 11 2.244 -1.225 4.847 1.00 0.00 C ATOM 190 NE ARG A 11 2.641 -0.785 6.193 1.00 0.00 N ATOM 191 CZ ARG A 11 2.666 0.478 6.656 1.00 0.00 C ATOM 192 NH1 ARG A 11 2.345 1.518 5.874 1.00 0.00 N ATOM 193 NH2 ARG A 11 3.019 0.702 7.930 1.00 0.00 N ATOM 0 H ARG A 11 0.902 -2.328 2.928 1.00 0.00 H new ATOM 0 HA ARG A 11 2.720 -3.012 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.707 -0.941 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.004 -0.777 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.238 -1.303 4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.423 0.226 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.285 -0.775 4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.099 -2.305 4.850 1.00 0.00 H new ATOM 0 HE ARG A 11 2.928 -1.515 6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.074 1.362 4.903 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.372 2.466 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.265 -0.081 8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.042 1.655 8.293 1.00 0.00 H new ATOM 207 N ASN A 12 4.902 -3.843 1.784 1.00 0.00 N ATOM 208 CA ASN A 12 6.124 -4.589 2.077 1.00 0.00 C ATOM 209 C ASN A 12 7.275 -3.624 1.747 1.00 0.00 C ATOM 210 O ASN A 12 7.809 -3.675 0.637 1.00 0.00 O ATOM 211 CB ASN A 12 6.164 -5.873 1.227 1.00 0.00 C ATOM 212 CG ASN A 12 5.283 -6.980 1.815 1.00 0.00 C ATOM 213 OD1 ASN A 12 5.765 -7.845 2.542 1.00 0.00 O ATOM 214 ND2 ASN A 12 3.985 -6.956 1.500 1.00 0.00 N ATOM 0 H ASN A 12 4.893 -3.473 0.833 1.00 0.00 H new ATOM 0 HA ASN A 12 6.190 -4.916 3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.833 -5.647 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.192 -6.228 1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.358 -7.672 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.621 -6.221 0.893 1.00 0.00 H new ATOM 221 N PRO A 13 7.654 -2.736 2.693 1.00 0.00 N ATOM 222 CA PRO A 13 8.685 -1.727 2.530 1.00 0.00 C ATOM 223 C PRO A 13 9.999 -2.258 1.976 1.00 0.00 C ATOM 224 O PRO A 13 10.482 -1.803 0.943 1.00 0.00 O ATOM 225 CB PRO A 13 8.860 -1.048 3.897 1.00 0.00 C ATOM 226 CG PRO A 13 7.476 -1.191 4.514 1.00 0.00 C ATOM 227 CD PRO A 13 7.022 -2.551 3.984 1.00 0.00 C ATOM 0 HA PRO A 13 8.367 -1.011 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.625 -1.538 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.154 -0.003 3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.512 -1.171 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.807 -0.389 4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.308 -3.347 4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.937 -2.585 3.890 1.00 0.00 H new ATOM 235 N GLY A 14 10.540 -3.230 2.703 1.00 0.00 N ATOM 236 CA GLY A 14 11.782 -3.924 2.421 1.00 0.00 C ATOM 237 C GLY A 14 12.987 -3.053 2.716 1.00 0.00 C ATOM 238 O GLY A 14 13.392 -2.270 1.865 1.00 0.00 O ATOM 0 H GLY A 14 10.093 -3.571 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.835 -4.834 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.800 -4.229 1.375 1.00 0.00 H new ATOM 242 N ARG A 15 13.569 -3.228 3.902 1.00 0.00 N ATOM 243 CA ARG A 15 14.745 -2.494 4.379 1.00 0.00 C ATOM 244 C ARG A 15 15.928 -2.906 3.492 1.00 0.00 C ATOM 245 O ARG A 15 16.609 -3.889 3.787 1.00 0.00 O ATOM 246 CB ARG A 15 14.989 -2.800 5.869 1.00 0.00 C ATOM 247 CG ARG A 15 13.832 -2.305 6.753 1.00 0.00 C ATOM 248 CD ARG A 15 14.105 -2.596 8.235 1.00 0.00 C ATOM 249 NE ARG A 15 12.994 -2.135 9.083 1.00 0.00 N ATOM 250 CZ ARG A 15 12.904 -2.300 10.416 1.00 0.00 C ATOM 251 NH1 ARG A 15 13.869 -2.925 11.110 1.00 0.00 N ATOM 252 NH2 ARG A 15 11.829 -1.830 11.065 1.00 0.00 N ATOM 0 H ARG A 15 13.225 -3.907 4.581 1.00 0.00 H new ATOM 0 HA ARG A 15 14.604 -1.416 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.114 -3.874 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.918 -2.328 6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.693 -1.233 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.905 -2.790 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.254 -3.667 8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.028 -2.103 8.541 1.00 0.00 H new ATOM 0 HE ARG A 15 12.226 -1.648 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.692 -3.286 10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.779 -3.038 12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.090 -1.353 10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.750 -1.949 12.075 1.00 0.00 H new ATOM 266 N CYS A 16 16.162 -2.150 2.405 1.00 0.00 N ATOM 267 CA CYS A 16 17.194 -2.453 1.416 1.00 0.00 C ATOM 268 C CYS A 16 17.740 -1.241 0.646 1.00 0.00 C ATOM 269 O CYS A 16 18.879 -1.288 0.181 1.00 0.00 O ATOM 270 CB CYS A 16 16.553 -3.491 0.476 1.00 0.00 C ATOM 271 SG CYS A 16 17.412 -3.996 -1.039 1.00 0.00 S ATOM 0 H CYS A 16 15.631 -1.305 2.193 1.00 0.00 H new ATOM 0 HA CYS A 16 18.085 -2.827 1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 16 16.374 -4.392 1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.578 -3.103 0.182 1.00 0.00 H new ATOM 276 N TYR A 17 16.953 -0.169 0.522 1.00 0.00 N ATOM 277 CA TYR A 17 17.323 1.057 -0.193 1.00 0.00 C ATOM 278 C TYR A 17 16.490 2.256 0.303 1.00 0.00 C ATOM 279 O TYR A 17 16.970 3.009 1.149 1.00 0.00 O ATOM 280 CB TYR A 17 17.149 0.852 -1.718 1.00 0.00 C ATOM 281 CG TYR A 17 18.266 0.088 -2.411 1.00 0.00 C ATOM 282 CD1 TYR A 17 19.577 0.614 -2.445 1.00 0.00 C ATOM 283 CD2 TYR A 17 17.999 -1.163 -3.015 1.00 0.00 C ATOM 284 CE1 TYR A 17 20.622 -0.125 -3.039 1.00 0.00 C ATOM 285 CE2 TYR A 17 19.044 -1.901 -3.610 1.00 0.00 C ATOM 286 CZ TYR A 17 20.358 -1.386 -3.615 1.00 0.00 C ATOM 287 OH TYR A 17 21.370 -2.110 -4.179 1.00 0.00 O ATOM 0 H TYR A 17 16.017 -0.128 0.926 1.00 0.00 H new ATOM 0 HA TYR A 17 18.371 1.278 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.211 0.324 -1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.056 1.830 -2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 17 19.780 1.584 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.992 -1.554 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 17 21.625 0.275 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 17 18.838 -2.860 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 17 21.014 -2.954 -4.527 1.00 0.00 H new ATOM 297 N GLN A 18 15.269 2.420 -0.244 1.00 0.00 N ATOM 298 CA GLN A 18 14.247 3.455 -0.031 1.00 0.00 C ATOM 299 C GLN A 18 14.107 4.147 -1.387 1.00 0.00 C ATOM 300 O GLN A 18 14.911 5.027 -1.700 1.00 0.00 O ATOM 301 CB GLN A 18 14.568 4.430 1.121 1.00 0.00 C ATOM 302 CG GLN A 18 13.390 5.380 1.379 1.00 0.00 C ATOM 303 CD GLN A 18 13.668 6.334 2.543 1.00 0.00 C ATOM 304 OE1 GLN A 18 13.932 7.517 2.333 1.00 0.00 O ATOM 305 NE2 GLN A 18 13.606 5.825 3.776 1.00 0.00 N ATOM 0 H GLN A 18 14.939 1.742 -0.931 1.00 0.00 H new ATOM 0 HA GLN A 18 13.307 3.014 0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.792 3.867 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.459 5.008 0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.186 5.958 0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.494 4.797 1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.384 4.839 3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.781 6.423 4.584 1.00 0.00 H new ATOM 314 N LYS A 19 13.090 3.765 -2.187 1.00 0.00 N ATOM 315 CA LYS A 19 12.947 4.293 -3.541 1.00 0.00 C ATOM 316 C LYS A 19 11.566 4.280 -4.200 1.00 0.00 C ATOM 317 O LYS A 19 11.449 4.873 -5.273 1.00 0.00 O ATOM 318 CB LYS A 19 13.857 3.359 -4.357 1.00 0.00 C ATOM 319 CG LYS A 19 14.128 3.678 -5.833 1.00 0.00 C ATOM 320 CD LYS A 19 15.026 2.557 -6.374 1.00 0.00 C ATOM 321 CE LYS A 19 15.539 2.835 -7.794 1.00 0.00 C ATOM 322 NZ LYS A 19 14.445 2.883 -8.781 1.00 0.00 N ATOM 0 H LYS A 19 12.367 3.099 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 19 13.179 5.357 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.820 3.314 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.426 2.359 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.195 3.730 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.616 4.647 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.877 2.425 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.470 1.620 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.078 3.782 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.250 2.060 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.837 3.073 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.946 1.971 -8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.779 3.639 -8.524 1.00 0.00 H new ATOM 336 N ILE A 20 10.528 3.665 -3.614 1.00 0.00 N ATOM 337 CA ILE A 20 9.225 3.592 -4.311 1.00 0.00 C ATOM 338 C ILE A 20 8.086 4.084 -3.414 1.00 0.00 C ATOM 339 O ILE A 20 7.204 3.301 -3.060 1.00 0.00 O ATOM 340 CB ILE A 20 8.986 2.149 -4.865 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.159 1.577 -5.699 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.705 2.052 -5.718 1.00 0.00 C ATOM 343 CD1 ILE A 20 10.303 2.117 -7.123 1.00 0.00 C ATOM 0 H ILE A 20 10.555 3.225 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 20 9.245 4.265 -5.168 1.00 0.00 H new ATOM 0 HB ILE A 20 8.889 1.548 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 20 11.088 1.773 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.045 0.494 -5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.585 1.031 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.842 2.327 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.782 2.730 -6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 20 11.157 1.644 -7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.398 1.897 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.457 3.196 -7.089 1.00 0.00 H new ATOM 355 N PRO A 21 8.046 5.378 -3.046 1.00 0.00 N ATOM 356 CA PRO A 21 6.967 5.873 -2.222 1.00 0.00 C ATOM 357 C PRO A 21 5.637 5.804 -2.957 1.00 0.00 C ATOM 358 O PRO A 21 5.505 6.205 -4.114 1.00 0.00 O ATOM 359 CB PRO A 21 7.302 7.283 -1.790 1.00 0.00 C ATOM 360 CG PRO A 21 8.419 7.713 -2.749 1.00 0.00 C ATOM 361 CD PRO A 21 9.059 6.404 -3.231 1.00 0.00 C ATOM 0 HA PRO A 21 6.859 5.246 -1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.436 7.940 -1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.634 7.314 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.021 8.288 -3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.149 8.346 -2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.357 6.476 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.958 6.174 -2.659 1.00 0.00 H new ATOM 369 N ALA A 22 4.669 5.269 -2.219 1.00 0.00 N ATOM 370 CA ALA A 22 3.293 5.069 -2.687 1.00 0.00 C ATOM 371 C ALA A 22 2.298 5.216 -1.522 1.00 0.00 C ATOM 372 O ALA A 22 2.546 6.016 -0.622 1.00 0.00 O ATOM 373 CB ALA A 22 3.238 3.713 -3.417 1.00 0.00 C ATOM 0 H ALA A 22 4.817 4.955 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 22 2.990 5.836 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.225 3.535 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.927 3.726 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.523 2.917 -2.729 1.00 0.00 H new ATOM 379 N PHE A 23 1.155 4.507 -1.554 1.00 0.00 N ATOM 380 CA PHE A 23 0.119 4.533 -0.522 1.00 0.00 C ATOM 381 C PHE A 23 -0.420 3.107 -0.279 1.00 0.00 C ATOM 382 O PHE A 23 -0.361 2.234 -1.145 1.00 0.00 O ATOM 383 CB PHE A 23 -1.098 5.363 -0.943 1.00 0.00 C ATOM 384 CG PHE A 23 -0.896 6.843 -1.225 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.198 7.269 -2.374 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.418 7.807 -0.333 1.00 0.00 C ATOM 387 CE1 PHE A 23 0.096 8.637 -2.559 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.125 9.175 -0.513 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.358 9.589 -1.622 1.00 0.00 C ATOM 0 H PHE A 23 0.926 3.882 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 23 0.587 4.963 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.517 4.907 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.850 5.273 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.112 6.547 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.044 7.495 0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.668 8.955 -3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.487 9.904 0.197 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.118 10.634 -1.754 1.00 0.00 H new ATOM 399 N TYR A 24 -0.978 2.927 0.920 1.00 0.00 N ATOM 400 CA TYR A 24 -1.597 1.712 1.454 1.00 0.00 C ATOM 401 C TYR A 24 -2.868 2.073 2.242 1.00 0.00 C ATOM 402 O TYR A 24 -2.912 3.119 2.886 1.00 0.00 O ATOM 403 CB TYR A 24 -0.601 0.925 2.336 1.00 0.00 C ATOM 404 CG TYR A 24 -0.652 1.261 3.824 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.256 2.540 4.275 1.00 0.00 C ATOM 406 CD2 TYR A 24 -1.177 0.328 4.748 1.00 0.00 C ATOM 407 CE1 TYR A 24 -0.411 2.896 5.630 1.00 0.00 C ATOM 408 CE2 TYR A 24 -1.315 0.676 6.108 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.930 1.960 6.551 1.00 0.00 C ATOM 410 OH TYR A 24 -1.051 2.299 7.867 1.00 0.00 O ATOM 0 H TYR A 24 -1.011 3.689 1.597 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.877 1.068 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.793 -0.141 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.409 1.111 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.167 3.248 3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.473 -0.654 4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.133 3.885 5.964 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.715 -0.040 6.811 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.425 1.543 8.366 1.00 0.00 H new ATOM 420 N TYR A 25 -3.851 1.162 2.290 1.00 0.00 N ATOM 421 CA TYR A 25 -5.131 1.371 2.974 1.00 0.00 C ATOM 422 C TYR A 25 -4.958 1.177 4.484 1.00 0.00 C ATOM 423 O TYR A 25 -4.734 0.046 4.919 1.00 0.00 O ATOM 424 CB TYR A 25 -6.163 0.369 2.407 1.00 0.00 C ATOM 425 CG TYR A 25 -7.513 0.256 3.116 1.00 0.00 C ATOM 426 CD1 TYR A 25 -8.068 1.346 3.828 1.00 0.00 C ATOM 427 CD2 TYR A 25 -8.235 -0.959 3.046 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.313 1.213 4.476 1.00 0.00 C ATOM 429 CE2 TYR A 25 -9.525 -1.059 3.609 1.00 0.00 C ATOM 430 CZ TYR A 25 -10.051 0.016 4.355 1.00 0.00 C ATOM 431 OH TYR A 25 -11.277 -0.100 4.944 1.00 0.00 O ATOM 0 H TYR A 25 -3.776 0.246 1.847 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.484 2.388 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.352 0.636 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.703 -0.619 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.535 2.284 3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.795 -1.816 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.703 2.029 5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.108 -1.957 3.469 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.646 -0.989 4.759 1.00 0.00 H new ATOM 441 N ASN A 26 -5.062 2.264 5.284 1.00 0.00 N ATOM 442 CA ASN A 26 -4.930 2.137 6.732 1.00 0.00 C ATOM 443 C ASN A 26 -6.264 1.651 7.304 1.00 0.00 C ATOM 444 O ASN A 26 -7.220 2.426 7.364 1.00 0.00 O ATOM 445 CB ASN A 26 -4.536 3.494 7.330 1.00 0.00 C ATOM 446 CG ASN A 26 -4.282 3.491 8.842 1.00 0.00 C ATOM 447 OD1 ASN A 26 -4.605 4.464 9.519 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.690 2.423 9.385 1.00 0.00 N ATOM 0 H ASN A 26 -5.233 3.212 4.950 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.152 1.416 6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.636 3.847 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.326 4.213 7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.495 2.402 10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.433 1.629 8.798 1.00 0.00 H new ATOM 455 N GLN A 27 -6.331 0.377 7.727 1.00 0.00 N ATOM 456 CA GLN A 27 -7.534 -0.223 8.306 1.00 0.00 C ATOM 457 C GLN A 27 -7.617 0.062 9.816 1.00 0.00 C ATOM 458 O GLN A 27 -7.811 -0.829 10.643 1.00 0.00 O ATOM 459 CB GLN A 27 -7.571 -1.728 7.995 1.00 0.00 C ATOM 460 CG GLN A 27 -7.555 -1.968 6.482 1.00 0.00 C ATOM 461 CD GLN A 27 -7.908 -3.416 6.136 1.00 0.00 C ATOM 462 OE1 GLN A 27 -7.052 -4.296 6.181 1.00 0.00 O ATOM 463 NE2 GLN A 27 -9.177 -3.669 5.801 1.00 0.00 N ATOM 0 H GLN A 27 -5.542 -0.267 7.674 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.415 0.232 7.852 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.715 -2.221 8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.466 -2.172 8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.264 -1.295 5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.568 -1.729 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.859 -2.911 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.464 -4.620 5.571 1.00 0.00 H new ATOM 472 N LYS A 28 -7.467 1.348 10.132 1.00 0.00 N ATOM 473 CA LYS A 28 -7.533 2.020 11.430 1.00 0.00 C ATOM 474 C LYS A 28 -8.354 3.299 11.210 1.00 0.00 C ATOM 475 O LYS A 28 -9.163 3.710 12.041 1.00 0.00 O ATOM 476 CB LYS A 28 -6.124 2.288 11.982 1.00 0.00 C ATOM 477 CG LYS A 28 -6.162 2.904 13.388 1.00 0.00 C ATOM 478 CD LYS A 28 -4.740 3.146 13.913 1.00 0.00 C ATOM 479 CE LYS A 28 -4.776 3.779 15.309 1.00 0.00 C ATOM 480 NZ LYS A 28 -3.420 4.009 15.837 1.00 0.00 N ATOM 0 H LYS A 28 -7.273 2.025 9.394 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.015 1.402 12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.563 1.354 12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.592 2.959 11.307 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.711 3.845 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.698 2.240 14.067 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.196 2.202 13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.200 3.798 13.227 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.315 4.725 15.266 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.326 3.129 15.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.484 4.438 16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.914 3.103 15.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.904 4.649 15.201 1.00 0.00 H new ATOM 494 N LYS A 29 -8.117 3.885 10.036 1.00 0.00 N ATOM 495 CA LYS A 29 -8.689 5.029 9.404 1.00 0.00 C ATOM 496 C LYS A 29 -9.770 4.476 8.490 1.00 0.00 C ATOM 497 O LYS A 29 -10.642 3.721 8.930 1.00 0.00 O ATOM 498 CB LYS A 29 -7.522 5.771 8.724 1.00 0.00 C ATOM 499 CG LYS A 29 -7.858 7.135 8.089 1.00 0.00 C ATOM 500 CD LYS A 29 -7.511 8.351 8.967 1.00 0.00 C ATOM 501 CE LYS A 29 -8.317 8.453 10.273 1.00 0.00 C ATOM 502 NZ LYS A 29 -7.766 7.616 11.355 1.00 0.00 N ATOM 0 H LYS A 29 -7.401 3.486 9.429 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.170 5.765 10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.735 5.922 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.111 5.125 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.324 7.222 7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.923 7.162 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.450 8.313 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.671 9.259 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.339 9.493 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.348 8.157 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.442 6.861 11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.868 7.193 11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.598 8.203 12.197 1.00 0.00 H new ATOM 516 N LYS A 30 -9.706 4.854 7.219 1.00 0.00 N ATOM 517 CA LYS A 30 -10.717 4.535 6.226 1.00 0.00 C ATOM 518 C LYS A 30 -10.274 4.885 4.783 1.00 0.00 C ATOM 519 O LYS A 30 -11.140 5.018 3.916 1.00 0.00 O ATOM 520 CB LYS A 30 -11.993 5.363 6.581 1.00 0.00 C ATOM 521 CG LYS A 30 -11.970 6.357 7.752 1.00 0.00 C ATOM 522 CD LYS A 30 -13.336 7.028 7.969 1.00 0.00 C ATOM 523 CE LYS A 30 -13.298 8.057 9.110 1.00 0.00 C ATOM 524 NZ LYS A 30 -13.001 7.438 10.414 1.00 0.00 N ATOM 0 H LYS A 30 -8.932 5.403 6.845 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.899 3.460 6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.274 5.922 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.795 4.652 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.674 5.837 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.217 7.122 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.649 7.520 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.083 6.266 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.544 8.813 8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.258 8.571 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.070 8.156 11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.685 6.677 10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.039 7.043 10.400 1.00 0.00 H new ATOM 538 N GLN A 31 -8.969 5.006 4.479 1.00 0.00 N ATOM 539 CA GLN A 31 -8.496 5.429 3.161 1.00 0.00 C ATOM 540 C GLN A 31 -7.007 5.094 3.001 1.00 0.00 C ATOM 541 O GLN A 31 -6.360 4.615 3.940 1.00 0.00 O ATOM 542 CB GLN A 31 -8.770 6.952 3.068 1.00 0.00 C ATOM 543 CG GLN A 31 -8.323 7.657 1.780 1.00 0.00 C ATOM 544 CD GLN A 31 -8.898 9.072 1.674 1.00 0.00 C ATOM 545 OE1 GLN A 31 -9.713 9.354 0.798 1.00 0.00 O ATOM 546 NE2 GLN A 31 -8.468 9.973 2.562 1.00 0.00 N ATOM 0 H GLN A 31 -8.219 4.812 5.143 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.011 4.909 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.841 7.113 3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.277 7.438 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.234 7.705 1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.639 7.071 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.791 9.703 3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.817 10.931 2.527 1.00 0.00 H new ATOM 555 N CYS A 32 -6.459 5.332 1.797 1.00 0.00 N ATOM 556 CA CYS A 32 -5.073 5.077 1.509 1.00 0.00 C ATOM 557 C CYS A 32 -4.236 6.215 2.049 1.00 0.00 C ATOM 558 O CYS A 32 -4.322 7.354 1.586 1.00 0.00 O ATOM 559 CB CYS A 32 -4.827 4.924 0.014 1.00 0.00 C ATOM 560 SG CYS A 32 -3.771 3.559 -0.520 1.00 0.00 S ATOM 0 H CYS A 32 -6.983 5.708 1.007 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.792 4.140 1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.794 4.814 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.388 5.852 -0.352 1.00 0.00 H new ATOM 565 N GLU A 33 -3.456 5.886 3.067 1.00 0.00 N ATOM 566 CA GLU A 33 -2.515 6.741 3.705 1.00 0.00 C ATOM 567 C GLU A 33 -1.210 6.435 2.968 1.00 0.00 C ATOM 568 O GLU A 33 -1.016 5.337 2.448 1.00 0.00 O ATOM 569 CB GLU A 33 -2.481 6.356 5.172 1.00 0.00 C ATOM 570 CG GLU A 33 -3.864 6.275 5.842 1.00 0.00 C ATOM 571 CD GLU A 33 -4.692 7.550 5.656 1.00 0.00 C ATOM 572 OE1 GLU A 33 -4.444 8.509 6.420 1.00 0.00 O ATOM 573 OE2 GLU A 33 -5.559 7.549 4.753 1.00 0.00 O ATOM 0 H GLU A 33 -3.478 4.954 3.482 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.732 7.809 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.987 5.389 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.872 7.082 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.413 5.428 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.735 6.084 6.907 1.00 0.00 H new ATOM 580 N GLY A 34 -0.289 7.386 2.929 1.00 0.00 N ATOM 581 CA GLY A 34 0.951 7.164 2.191 1.00 0.00 C ATOM 582 C GLY A 34 1.924 6.265 2.944 1.00 0.00 C ATOM 583 O GLY A 34 1.820 6.125 4.164 1.00 0.00 O ATOM 0 H GLY A 34 -0.369 8.295 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.720 6.715 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.428 8.123 1.991 1.00 0.00 H new ATOM 587 N PHE A 35 2.865 5.644 2.217 1.00 0.00 N ATOM 588 CA PHE A 35 3.842 4.772 2.848 1.00 0.00 C ATOM 589 C PHE A 35 5.088 4.854 1.949 1.00 0.00 C ATOM 590 O PHE A 35 4.949 4.952 0.725 1.00 0.00 O ATOM 591 CB PHE A 35 3.336 3.312 2.885 1.00 0.00 C ATOM 592 CG PHE A 35 3.557 2.447 1.654 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.632 2.416 0.606 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.747 1.686 1.556 1.00 0.00 C ATOM 595 CE1 PHE A 35 2.859 1.612 -0.529 1.00 0.00 C ATOM 596 CE2 PHE A 35 5.004 0.914 0.404 1.00 0.00 C ATOM 597 CZ PHE A 35 4.051 0.865 -0.634 1.00 0.00 C ATOM 0 H PHE A 35 2.962 5.733 1.206 1.00 0.00 H new ATOM 0 HA PHE A 35 4.038 5.074 3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.811 2.816 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.265 3.335 3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.735 3.014 0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.461 1.697 2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.122 1.568 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.928 0.362 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.233 0.257 -1.508 1.00 0.00 H new ATOM 607 N THR A 36 6.298 4.791 2.519 1.00 0.00 N ATOM 608 CA THR A 36 7.518 4.830 1.710 1.00 0.00 C ATOM 609 C THR A 36 8.049 3.407 1.576 1.00 0.00 C ATOM 610 O THR A 36 8.321 2.757 2.588 1.00 0.00 O ATOM 611 CB THR A 36 8.612 5.753 2.275 1.00 0.00 C ATOM 612 OG1 THR A 36 8.110 7.066 2.427 1.00 0.00 O ATOM 613 CG2 THR A 36 9.801 5.773 1.284 1.00 0.00 C ATOM 0 H THR A 36 6.456 4.714 3.524 1.00 0.00 H new ATOM 0 HA THR A 36 7.254 5.250 0.739 1.00 0.00 H new ATOM 0 HB THR A 36 8.934 5.383 3.248 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.813 7.645 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.586 6.423 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.193 4.763 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.463 6.147 0.318 1.00 0.00 H new ATOM 621 N TRP A 37 8.204 2.928 0.331 1.00 0.00 N ATOM 622 CA TRP A 37 8.755 1.599 0.088 1.00 0.00 C ATOM 623 C TRP A 37 10.254 1.731 0.384 1.00 0.00 C ATOM 624 O TRP A 37 10.969 2.400 -0.363 1.00 0.00 O ATOM 625 CB TRP A 37 8.454 1.218 -1.351 1.00 0.00 C ATOM 626 CG TRP A 37 8.823 -0.137 -1.858 1.00 0.00 C ATOM 627 CD1 TRP A 37 8.054 -1.245 -1.777 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.996 -0.515 -2.635 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.584 -2.228 -2.584 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.734 -1.792 -3.216 1.00 0.00 C ATOM 631 CE3 TRP A 37 11.193 0.139 -3.019 1.00 0.00 C ATOM 632 CZ2 TRP A 37 10.559 -2.332 -4.219 1.00 0.00 C ATOM 633 CZ3 TRP A 37 12.086 -0.455 -3.940 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.754 -1.673 -4.565 1.00 0.00 C ATOM 0 H TRP A 37 7.955 3.443 -0.514 1.00 0.00 H new ATOM 0 HA TRP A 37 8.331 0.810 0.709 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.381 1.339 -1.501 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.949 1.949 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.163 -1.345 -1.174 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.180 -3.157 -2.700 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.427 1.107 -2.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.278 -3.246 -4.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.026 0.027 -4.165 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.413 -2.099 -5.306 1.00 0.00 H new ATOM 645 N SER A 38 10.714 1.116 1.483 1.00 0.00 N ATOM 646 CA SER A 38 12.091 1.194 1.967 1.00 0.00 C ATOM 647 C SER A 38 13.140 0.444 1.126 1.00 0.00 C ATOM 648 O SER A 38 14.278 0.335 1.582 1.00 0.00 O ATOM 649 CB SER A 38 12.121 0.715 3.432 1.00 0.00 C ATOM 650 OG SER A 38 11.334 1.555 4.252 1.00 0.00 O ATOM 0 H SER A 38 10.118 0.535 2.073 1.00 0.00 H new ATOM 0 HA SER A 38 12.387 2.239 1.877 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.752 -0.309 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.149 0.705 3.795 1.00 0.00 H new ATOM 0 HG SER A 38 11.366 1.232 5.177 1.00 0.00 H new ATOM 656 N GLY A 39 12.800 -0.058 -0.075 1.00 0.00 N ATOM 657 CA GLY A 39 13.708 -0.784 -0.963 1.00 0.00 C ATOM 658 C GLY A 39 13.174 -2.169 -1.341 1.00 0.00 C ATOM 659 O GLY A 39 11.977 -2.433 -1.240 1.00 0.00 O ATOM 0 H GLY A 39 11.860 0.036 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.869 -0.200 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.678 -0.892 -0.477 1.00 0.00 H new ATOM 663 N CYS A 40 14.074 -3.059 -1.786 1.00 0.00 N ATOM 664 CA CYS A 40 13.760 -4.428 -2.184 1.00 0.00 C ATOM 665 C CYS A 40 13.113 -5.182 -1.003 1.00 0.00 C ATOM 666 O CYS A 40 13.769 -5.444 0.006 1.00 0.00 O ATOM 667 CB CYS A 40 15.023 -5.124 -2.742 1.00 0.00 C ATOM 668 SG CYS A 40 16.377 -5.660 -1.636 1.00 0.00 S ATOM 0 H CYS A 40 15.065 -2.835 -1.879 1.00 0.00 H new ATOM 0 HA CYS A 40 13.029 -4.427 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 40 14.686 -6.008 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 40 15.461 -4.448 -3.476 1.00 0.00 H new ATOM 673 N GLY A 41 11.811 -5.494 -1.124 1.00 0.00 N ATOM 674 CA GLY A 41 11.009 -6.189 -0.121 1.00 0.00 C ATOM 675 C GLY A 41 9.933 -7.036 -0.799 1.00 0.00 C ATOM 676 O GLY A 41 10.088 -8.249 -0.939 1.00 0.00 O ATOM 0 H GLY A 41 11.274 -5.257 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.650 -6.824 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.544 -5.465 0.549 1.00 0.00 H new ATOM 680 N GLY A 42 8.839 -6.377 -1.208 1.00 0.00 N ATOM 681 CA GLY A 42 7.693 -6.984 -1.872 1.00 0.00 C ATOM 682 C GLY A 42 6.690 -5.922 -2.338 1.00 0.00 C ATOM 683 O GLY A 42 7.004 -4.731 -2.378 1.00 0.00 O ATOM 0 H GLY A 42 8.731 -5.371 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.033 -7.566 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.201 -7.677 -1.190 1.00 0.00 H new ATOM 687 N ASN A 43 5.471 -6.369 -2.673 1.00 0.00 N ATOM 688 CA ASN A 43 4.362 -5.544 -3.152 1.00 0.00 C ATOM 689 C ASN A 43 3.195 -5.565 -2.159 1.00 0.00 C ATOM 690 O ASN A 43 3.369 -5.335 -0.962 1.00 0.00 O ATOM 691 CB ASN A 43 3.931 -6.020 -4.566 1.00 0.00 C ATOM 692 CG ASN A 43 3.564 -7.511 -4.699 1.00 0.00 C ATOM 693 OD1 ASN A 43 3.573 -8.263 -3.725 1.00 0.00 O ATOM 694 ND2 ASN A 43 3.230 -7.941 -5.918 1.00 0.00 N ATOM 0 H ASN A 43 5.225 -7.357 -2.614 1.00 0.00 H new ATOM 0 HA ASN A 43 4.691 -4.508 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.073 -5.426 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.741 -5.803 -5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.973 -8.918 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.232 -7.293 -6.706 1.00 0.00 H new ATOM 701 N SER A 44 2.015 -5.835 -2.728 1.00 0.00 N ATOM 702 CA SER A 44 0.670 -5.936 -2.175 1.00 0.00 C ATOM 703 C SER A 44 0.267 -4.674 -1.397 1.00 0.00 C ATOM 704 O SER A 44 0.903 -4.289 -0.419 1.00 0.00 O ATOM 705 CB SER A 44 0.469 -7.208 -1.344 1.00 0.00 C ATOM 706 OG SER A 44 1.397 -7.331 -0.286 1.00 0.00 O ATOM 0 H SER A 44 1.985 -6.012 -3.732 1.00 0.00 H new ATOM 0 HA SER A 44 -0.004 -6.013 -3.028 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.541 -7.212 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.553 -8.078 -1.996 1.00 0.00 H new ATOM 0 HG SER A 44 1.709 -6.441 -0.020 1.00 0.00 H new ATOM 712 N ASN A 45 -0.826 -4.058 -1.859 1.00 0.00 N ATOM 713 CA ASN A 45 -1.459 -2.840 -1.358 1.00 0.00 C ATOM 714 C ASN A 45 -0.608 -1.597 -1.691 1.00 0.00 C ATOM 715 O ASN A 45 -0.573 -0.621 -0.945 1.00 0.00 O ATOM 716 CB ASN A 45 -1.864 -3.041 0.126 1.00 0.00 C ATOM 717 CG ASN A 45 -2.785 -1.977 0.743 1.00 0.00 C ATOM 718 OD1 ASN A 45 -3.130 -0.977 0.122 1.00 0.00 O ATOM 719 ND2 ASN A 45 -3.204 -2.191 1.993 1.00 0.00 N ATOM 0 H ASN A 45 -1.331 -4.433 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.397 -2.636 -1.874 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.356 -4.009 0.216 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.953 -3.090 0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.821 -1.517 2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.907 -3.028 2.494 1.00 0.00 H new ATOM 726 N ARG A 46 0.116 -1.687 -2.817 1.00 0.00 N ATOM 727 CA ARG A 46 0.997 -0.705 -3.423 1.00 0.00 C ATOM 728 C ARG A 46 0.273 0.183 -4.457 1.00 0.00 C ATOM 729 O ARG A 46 0.342 -0.109 -5.651 1.00 0.00 O ATOM 730 CB ARG A 46 2.161 -1.492 -4.040 1.00 0.00 C ATOM 731 CG ARG A 46 3.275 -0.560 -4.556 1.00 0.00 C ATOM 732 CD ARG A 46 3.948 -1.110 -5.819 1.00 0.00 C ATOM 733 NE ARG A 46 4.771 -2.299 -5.545 1.00 0.00 N ATOM 734 CZ ARG A 46 6.061 -2.288 -5.157 1.00 0.00 C ATOM 735 NH1 ARG A 46 6.697 -1.139 -4.880 1.00 0.00 N ATOM 736 NH2 ARG A 46 6.727 -3.447 -5.052 1.00 0.00 N ATOM 0 H ARG A 46 0.088 -2.541 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 46 1.360 -0.002 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.573 -2.173 -3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.790 -2.104 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.855 0.423 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.024 -0.425 -3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.184 -1.362 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.572 -0.334 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 46 4.326 -3.210 -5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.203 -0.250 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.674 -1.155 -4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.257 -4.327 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.704 -3.449 -4.759 1.00 0.00 H new ATOM 750 N PHE A 47 -0.395 1.268 -4.038 1.00 0.00 N ATOM 751 CA PHE A 47 -1.112 2.219 -4.853 1.00 0.00 C ATOM 752 C PHE A 47 -0.533 3.631 -4.914 1.00 0.00 C ATOM 753 O PHE A 47 -0.229 4.230 -3.893 1.00 0.00 O ATOM 754 CB PHE A 47 -2.576 2.183 -4.458 1.00 0.00 C ATOM 755 CG PHE A 47 -3.193 0.803 -4.279 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.705 0.170 -5.437 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.295 0.157 -3.030 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.387 -1.059 -5.340 1.00 0.00 C ATOM 759 CE2 PHE A 47 -4.036 -1.041 -2.929 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.565 -1.659 -4.079 1.00 0.00 C ATOM 0 H PHE A 47 -0.442 1.507 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.994 1.900 -5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.692 2.733 -3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.148 2.718 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.572 0.633 -6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.811 0.574 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.771 -1.538 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.199 -1.488 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.105 -2.590 -3.994 1.00 0.00 H new ATOM 770 N LYS A 48 -0.424 4.156 -6.145 1.00 0.00 N ATOM 771 CA LYS A 48 0.087 5.457 -6.515 1.00 0.00 C ATOM 772 C LYS A 48 -0.858 6.575 -6.073 1.00 0.00 C ATOM 773 O LYS A 48 -0.391 7.530 -5.454 1.00 0.00 O ATOM 774 CB LYS A 48 0.278 5.454 -8.034 1.00 0.00 C ATOM 775 CG LYS A 48 1.489 4.598 -8.438 1.00 0.00 C ATOM 776 CD LYS A 48 1.750 4.723 -9.942 1.00 0.00 C ATOM 777 CE LYS A 48 2.880 3.799 -10.419 1.00 0.00 C ATOM 778 NZ LYS A 48 4.178 4.142 -9.812 1.00 0.00 N ATOM 0 H LYS A 48 -0.719 3.626 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 48 1.036 5.648 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.621 5.069 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.416 6.476 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.370 4.917 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.308 3.555 -8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.836 4.486 -10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.004 5.756 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.629 2.767 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.962 3.859 -11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.915 3.513 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.416 5.129 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.120 4.026 -8.780 1.00 0.00 H new ATOM 792 N THR A 49 -2.155 6.489 -6.417 1.00 0.00 N ATOM 793 CA THR A 49 -3.147 7.493 -6.015 1.00 0.00 C ATOM 794 C THR A 49 -4.117 6.854 -5.009 1.00 0.00 C ATOM 795 O THR A 49 -4.284 5.634 -4.958 1.00 0.00 O ATOM 796 CB THR A 49 -3.848 8.162 -7.222 1.00 0.00 C ATOM 797 OG1 THR A 49 -4.903 7.377 -7.732 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.874 8.458 -8.374 1.00 0.00 C ATOM 0 H THR A 49 -2.539 5.728 -6.976 1.00 0.00 H new ATOM 0 HA THR A 49 -2.641 8.322 -5.520 1.00 0.00 H new ATOM 0 HB THR A 49 -4.246 9.099 -6.832 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.317 7.839 -8.491 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.415 8.927 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.091 9.131 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.425 7.527 -8.719 1.00 0.00 H new ATOM 806 N ILE A 50 -4.752 7.703 -4.196 1.00 0.00 N ATOM 807 CA ILE A 50 -5.699 7.314 -3.155 1.00 0.00 C ATOM 808 C ILE A 50 -7.015 6.762 -3.725 1.00 0.00 C ATOM 809 O ILE A 50 -7.678 5.943 -3.087 1.00 0.00 O ATOM 810 CB ILE A 50 -5.936 8.534 -2.226 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.601 9.015 -1.608 1.00 0.00 C ATOM 812 CG2 ILE A 50 -6.928 8.183 -1.106 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.739 10.256 -0.715 1.00 0.00 C ATOM 0 H ILE A 50 -4.614 8.712 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.272 6.492 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.358 9.337 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.171 8.204 -1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.898 9.234 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.079 9.053 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.881 7.885 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.529 7.361 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.761 10.531 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.139 11.083 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.415 10.036 0.111 1.00 0.00 H new ATOM 825 N GLU A 51 -7.370 7.168 -4.946 1.00 0.00 N ATOM 826 CA GLU A 51 -8.602 6.756 -5.608 1.00 0.00 C ATOM 827 C GLU A 51 -8.442 5.316 -6.031 1.00 0.00 C ATOM 828 O GLU A 51 -9.217 4.453 -5.648 1.00 0.00 O ATOM 829 CB GLU A 51 -8.911 7.688 -6.792 1.00 0.00 C ATOM 830 CG GLU A 51 -8.909 9.162 -6.363 1.00 0.00 C ATOM 831 CD GLU A 51 -9.521 10.063 -7.437 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.770 10.444 -8.361 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.733 10.351 -7.321 1.00 0.00 O ATOM 0 H GLU A 51 -6.800 7.801 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.453 6.830 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.172 7.536 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.883 7.432 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.468 9.272 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.887 9.481 -6.159 1.00 0.00 H new ATOM 840 N GLU A 52 -7.383 5.116 -6.801 1.00 0.00 N ATOM 841 CA GLU A 52 -6.855 3.877 -7.346 1.00 0.00 C ATOM 842 C GLU A 52 -6.740 2.804 -6.258 1.00 0.00 C ATOM 843 O GLU A 52 -6.941 1.618 -6.520 1.00 0.00 O ATOM 844 CB GLU A 52 -5.476 4.246 -7.932 1.00 0.00 C ATOM 845 CG GLU A 52 -5.593 4.809 -9.358 1.00 0.00 C ATOM 846 CD GLU A 52 -6.146 3.779 -10.347 1.00 0.00 C ATOM 847 OE1 GLU A 52 -5.438 2.775 -10.580 1.00 0.00 O ATOM 848 OE2 GLU A 52 -7.267 4.009 -10.851 1.00 0.00 O ATOM 0 H GLU A 52 -6.810 5.908 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.509 3.454 -8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.993 4.982 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.837 3.363 -7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.242 5.685 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.612 5.143 -9.696 1.00 0.00 H new ATOM 855 N CYS A 53 -6.404 3.234 -5.038 1.00 0.00 N ATOM 856 CA CYS A 53 -6.302 2.396 -3.862 1.00 0.00 C ATOM 857 C CYS A 53 -7.710 2.014 -3.435 1.00 0.00 C ATOM 858 O CYS A 53 -8.024 0.829 -3.331 1.00 0.00 O ATOM 859 CB CYS A 53 -5.634 3.193 -2.752 1.00 0.00 C ATOM 860 SG CYS A 53 -5.106 2.250 -1.303 1.00 0.00 S ATOM 0 H CYS A 53 -6.190 4.213 -4.846 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.716 1.501 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.763 3.698 -3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.325 3.969 -2.423 1.00 0.00 H new ATOM 865 N ARG A 54 -8.548 3.040 -3.206 1.00 0.00 N ATOM 866 CA ARG A 54 -9.930 2.822 -2.792 1.00 0.00 C ATOM 867 C ARG A 54 -10.748 2.039 -3.846 1.00 0.00 C ATOM 868 O ARG A 54 -11.715 1.383 -3.474 1.00 0.00 O ATOM 869 CB ARG A 54 -10.591 4.152 -2.402 1.00 0.00 C ATOM 870 CG ARG A 54 -10.029 4.726 -1.080 1.00 0.00 C ATOM 871 CD ARG A 54 -11.037 5.683 -0.431 1.00 0.00 C ATOM 872 NE ARG A 54 -11.162 6.928 -1.202 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.937 7.977 -0.874 1.00 0.00 C ATOM 874 NH1 ARG A 54 -12.683 7.970 0.242 1.00 0.00 N ATOM 875 NH2 ARG A 54 -11.961 9.051 -1.676 1.00 0.00 N ATOM 0 H ARG A 54 -8.287 4.021 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.915 2.187 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.441 4.877 -3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.666 4.004 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.799 3.912 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.094 5.252 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.010 5.197 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.721 5.913 0.587 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.614 7.003 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.669 7.158 0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.264 8.776 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.395 9.067 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.545 9.853 -1.438 1.00 0.00 H new ATOM 889 N ARG A 55 -10.401 2.062 -5.144 1.00 0.00 N ATOM 890 CA ARG A 55 -11.110 1.306 -6.172 1.00 0.00 C ATOM 891 C ARG A 55 -11.100 -0.216 -5.931 1.00 0.00 C ATOM 892 O ARG A 55 -12.046 -0.922 -6.273 1.00 0.00 O ATOM 893 CB ARG A 55 -10.377 1.524 -7.505 1.00 0.00 C ATOM 894 CG ARG A 55 -10.711 2.860 -8.179 1.00 0.00 C ATOM 895 CD ARG A 55 -10.380 2.814 -9.677 1.00 0.00 C ATOM 896 NE ARG A 55 -10.472 4.144 -10.299 1.00 0.00 N ATOM 897 CZ ARG A 55 -11.606 4.809 -10.587 1.00 0.00 C ATOM 898 NH1 ARG A 55 -12.814 4.283 -10.325 1.00 0.00 N ATOM 899 NH2 ARG A 55 -11.528 6.024 -11.147 1.00 0.00 N ATOM 0 H ARG A 55 -9.618 2.609 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.142 1.655 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.302 1.473 -7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.629 0.711 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.768 3.087 -8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.149 3.663 -7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.374 2.417 -9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.064 2.130 -10.179 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.593 4.606 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.886 3.359 -9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.659 4.807 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.617 6.434 -11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.380 6.538 -11.370 1.00 0.00 H new ATOM 913 N THR A 56 -9.980 -0.688 -5.383 1.00 0.00 N ATOM 914 CA THR A 56 -9.629 -2.075 -5.105 1.00 0.00 C ATOM 915 C THR A 56 -9.911 -2.476 -3.655 1.00 0.00 C ATOM 916 O THR A 56 -10.424 -3.567 -3.416 1.00 0.00 O ATOM 917 CB THR A 56 -8.125 -2.260 -5.423 1.00 0.00 C ATOM 918 OG1 THR A 56 -7.841 -1.805 -6.734 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.675 -3.728 -5.329 1.00 0.00 C ATOM 0 H THR A 56 -9.234 -0.053 -5.099 1.00 0.00 H new ATOM 0 HA THR A 56 -10.247 -2.720 -5.729 1.00 0.00 H new ATOM 0 HB THR A 56 -7.583 -1.679 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.887 -1.926 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.612 -3.798 -5.562 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.851 -4.098 -4.319 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.243 -4.329 -6.040 1.00 0.00 H new ATOM 927 N CYS A 57 -9.563 -1.612 -2.693 1.00 0.00 N ATOM 928 CA CYS A 57 -9.693 -1.823 -1.273 1.00 0.00 C ATOM 929 C CYS A 57 -11.037 -1.409 -0.699 1.00 0.00 C ATOM 930 O CYS A 57 -11.544 -2.067 0.210 1.00 0.00 O ATOM 931 CB CYS A 57 -8.563 -1.023 -0.621 1.00 0.00 C ATOM 932 SG CYS A 57 -6.866 -1.439 -1.118 1.00 0.00 S ATOM 0 H CYS A 57 -9.162 -0.700 -2.913 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.629 -2.892 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.729 0.033 -0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.640 -1.147 0.459 1.00 0.00 H new ATOM 937 N ILE A 58 -11.587 -0.316 -1.226 1.00 0.00 N ATOM 938 CA ILE A 58 -12.879 0.229 -0.770 1.00 0.00 C ATOM 939 C ILE A 58 -14.037 -0.117 -1.723 1.00 0.00 C ATOM 940 O ILE A 58 -15.201 0.003 -1.343 1.00 0.00 O ATOM 941 CB ILE A 58 -12.779 1.739 -0.479 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.581 2.088 0.433 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.048 2.271 0.216 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.506 1.346 1.757 1.00 0.00 C ATOM 0 H ILE A 58 -11.156 0.220 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.120 -0.262 0.173 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.650 2.207 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.662 1.895 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.609 3.158 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.939 3.339 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.912 2.102 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.191 1.748 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.625 1.674 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.401 1.556 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.438 0.274 1.570 1.00 0.00 H new ATOM 956 N ARG A 59 -13.712 -0.568 -2.941 1.00 0.00 N ATOM 957 CA ARG A 59 -14.589 -0.970 -4.027 1.00 0.00 C ATOM 958 C ARG A 59 -15.001 0.251 -4.862 1.00 0.00 C ATOM 959 O ARG A 59 -15.480 1.246 -4.317 1.00 0.00 O ATOM 960 CB ARG A 59 -15.810 -1.746 -3.508 1.00 0.00 C ATOM 961 CG ARG A 59 -16.291 -2.682 -4.615 1.00 0.00 C ATOM 962 CD ARG A 59 -17.647 -3.296 -4.261 1.00 0.00 C ATOM 963 NE ARG A 59 -18.133 -4.180 -5.332 1.00 0.00 N ATOM 964 CZ ARG A 59 -19.174 -5.027 -5.235 1.00 0.00 C ATOM 965 NH1 ARG A 59 -19.886 -5.130 -4.102 1.00 0.00 N ATOM 966 NH2 ARG A 59 -19.507 -5.784 -6.290 1.00 0.00 N ATOM 0 H ARG A 59 -12.732 -0.667 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.038 -1.650 -4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.547 -2.316 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.604 -1.057 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.370 -2.132 -5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.558 -3.474 -4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.561 -3.860 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.373 -2.502 -4.085 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.639 -4.148 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.642 -4.560 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.671 -5.779 -4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.973 -5.715 -7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.294 -6.429 -6.227 1.00 0.00 H new ATOM 980 N LYS A 60 -14.822 0.160 -6.189 1.00 0.00 N ATOM 981 CA LYS A 60 -15.156 1.205 -7.155 1.00 0.00 C ATOM 982 C LYS A 60 -16.662 1.198 -7.464 1.00 0.00 C ATOM 983 O LYS A 60 -17.211 2.310 -7.628 1.00 0.00 O ATOM 984 CB LYS A 60 -14.319 1.026 -8.439 1.00 0.00 C ATOM 985 CG LYS A 60 -14.587 -0.280 -9.210 1.00 0.00 C ATOM 986 CD LYS A 60 -13.567 -0.514 -10.337 1.00 0.00 C ATOM 987 CE LYS A 60 -13.667 0.529 -11.460 1.00 0.00 C ATOM 988 NZ LYS A 60 -12.717 0.243 -12.548 1.00 0.00 N ATOM 989 OXT LYS A 60 -17.244 0.093 -7.539 1.00 0.00 O ATOM 0 H LYS A 60 -14.428 -0.672 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.914 2.176 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.513 1.869 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.262 1.065 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.558 -1.121 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.591 -0.250 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.561 -0.495 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.719 -1.508 -10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.682 0.542 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.470 1.522 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.811 0.966 -13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.747 0.255 -12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.922 -0.694 -12.950 1.00 0.00 H new