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= -1.23 K(o=-1.2,f=-9.5!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.47) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0287) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.127 (180deg=-0.694) USER MOD Single : A 12 ASN : amide:sc= -0.892 K(o=-0.89,f=-0.23) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0313 X(o=-0.031,f=-0.031) 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 27 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.6) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.01) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 150:sc= 0.437 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.205 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 -12.610 -6.790 -4.555 1.00 0.00 N ATOM 35 CA LEU A 3 -11.746 -6.448 -3.428 1.00 0.00 C ATOM 36 C LEU A 3 -10.630 -7.495 -3.300 1.00 0.00 C ATOM 37 O LEU A 3 -10.891 -8.656 -2.982 1.00 0.00 O ATOM 38 CB LEU A 3 -12.611 -6.295 -2.163 1.00 0.00 C ATOM 39 CG LEU A 3 -12.056 -5.308 -1.123 1.00 0.00 C ATOM 40 CD1 LEU A 3 -13.130 -5.064 -0.052 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.749 -5.796 -0.482 1.00 0.00 C ATOM 0 HA LEU A 3 -11.247 -5.492 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.608 -5.969 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.721 -7.273 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.813 -4.376 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.749 -4.365 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.022 -4.646 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.382 -6.008 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.403 -5.060 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.923 -6.747 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.992 -5.927 -1.255 1.00 0.00 H new ATOM 53 N ARG A 4 -9.388 -7.066 -3.566 1.00 0.00 N ATOM 54 CA ARG A 4 -8.180 -7.868 -3.558 1.00 0.00 C ATOM 55 C ARG A 4 -7.742 -8.248 -2.138 1.00 0.00 C ATOM 56 O ARG A 4 -8.312 -7.821 -1.133 1.00 0.00 O ATOM 57 CB ARG A 4 -7.079 -7.032 -4.232 1.00 0.00 C ATOM 58 CG ARG A 4 -7.115 -6.980 -5.770 1.00 0.00 C ATOM 59 CD ARG A 4 -6.584 -8.237 -6.481 1.00 0.00 C ATOM 60 NE ARG A 4 -7.469 -9.400 -6.334 1.00 0.00 N ATOM 61 CZ ARG A 4 -8.649 -9.586 -6.955 1.00 0.00 C ATOM 62 NH1 ARG A 4 -9.133 -8.689 -7.829 1.00 0.00 N ATOM 63 NH2 ARG A 4 -9.354 -10.695 -6.691 1.00 0.00 N ATOM 0 H ARG A 4 -9.201 -6.092 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.365 -8.802 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.142 -6.012 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.111 -7.428 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.144 -6.810 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.532 -6.121 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.453 -8.019 -7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.600 -8.484 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.160 -10.137 -5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.604 -7.842 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.030 -8.855 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.995 -11.382 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.250 -10.852 -7.153 1.00 0.00 H new ATOM 77 N LYS A 5 -6.710 -9.096 -2.103 1.00 0.00 N ATOM 78 CA LYS A 5 -6.065 -9.632 -0.905 1.00 0.00 C ATOM 79 C LYS A 5 -4.904 -8.768 -0.438 1.00 0.00 C ATOM 80 O LYS A 5 -4.735 -8.532 0.759 1.00 0.00 O ATOM 81 CB LYS A 5 -5.665 -11.099 -1.139 1.00 0.00 C ATOM 82 CG LYS A 5 -5.112 -11.762 0.137 1.00 0.00 C ATOM 83 CD LYS A 5 -4.717 -13.238 -0.059 1.00 0.00 C ATOM 84 CE LYS A 5 -5.856 -14.244 0.182 1.00 0.00 C ATOM 85 NZ LYS A 5 -6.945 -14.135 -0.802 1.00 0.00 N ATOM 0 H LYS A 5 -6.279 -9.445 -2.959 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.783 -9.609 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.532 -11.659 -1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.913 -11.148 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.241 -11.203 0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.862 -11.696 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.344 -13.369 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.894 -13.473 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.450 -15.255 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.262 -14.090 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.516 -15.004 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.546 -13.320 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.543 -14.004 -1.752 1.00 0.00 H new ATOM 99 N LEU A 6 -4.112 -8.300 -1.403 1.00 0.00 N ATOM 100 CA LEU A 6 -2.964 -7.433 -1.162 1.00 0.00 C ATOM 101 C LEU A 6 -3.388 -6.079 -0.568 1.00 0.00 C ATOM 102 O LEU A 6 -2.530 -5.314 -0.137 1.00 0.00 O ATOM 103 CB LEU A 6 -2.134 -7.270 -2.451 1.00 0.00 C ATOM 104 CG LEU A 6 -2.759 -6.438 -3.595 1.00 0.00 C ATOM 105 CD1 LEU A 6 -2.797 -4.926 -3.294 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.939 -6.656 -4.877 1.00 0.00 C ATOM 0 H LEU A 6 -4.255 -8.518 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.328 -7.908 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.181 -6.814 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.913 -8.265 -2.839 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.789 -6.777 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.247 -4.399 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.389 -4.749 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.782 -4.561 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.372 -6.073 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.910 -6.337 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.952 -7.713 -5.142 1.00 0.00 H new ATOM 118 N CYS A 7 -4.698 -5.784 -0.548 1.00 0.00 N ATOM 119 CA CYS A 7 -5.276 -4.549 -0.025 1.00 0.00 C ATOM 120 C CYS A 7 -5.413 -4.644 1.494 1.00 0.00 C ATOM 121 O CYS A 7 -5.037 -3.723 2.216 1.00 0.00 O ATOM 122 CB CYS A 7 -6.648 -4.313 -0.677 1.00 0.00 C ATOM 123 SG CYS A 7 -6.597 -3.426 -2.256 1.00 0.00 S ATOM 0 H CYS A 7 -5.403 -6.426 -0.910 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.623 -3.709 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.131 -5.278 -0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.273 -3.753 0.018 1.00 0.00 H new ATOM 128 N ILE A 8 -5.951 -5.773 1.970 1.00 0.00 N ATOM 129 CA ILE A 8 -6.168 -6.059 3.379 1.00 0.00 C ATOM 130 C ILE A 8 -4.934 -6.773 3.966 1.00 0.00 C ATOM 131 O ILE A 8 -5.070 -7.513 4.941 1.00 0.00 O ATOM 132 CB ILE A 8 -7.474 -6.878 3.546 1.00 0.00 C ATOM 133 CG1 ILE A 8 -7.436 -8.203 2.748 1.00 0.00 C ATOM 134 CG2 ILE A 8 -8.675 -6.016 3.113 1.00 0.00 C ATOM 135 CD1 ILE A 8 -8.614 -9.132 3.064 1.00 0.00 C ATOM 0 H ILE A 8 -6.254 -6.532 1.360 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.293 -5.133 3.939 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.575 -7.147 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.435 -7.978 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.503 -8.723 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.595 -6.589 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.724 -5.122 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.557 -5.726 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.528 -10.043 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.603 -9.386 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.550 -8.628 2.821 1.00 0.00 H new ATOM 147 N LEU A 9 -3.731 -6.533 3.407 1.00 0.00 N ATOM 148 CA LEU A 9 -2.486 -7.161 3.834 1.00 0.00 C ATOM 149 C LEU A 9 -1.709 -6.292 4.827 1.00 0.00 C ATOM 150 O LEU A 9 -1.431 -6.723 5.945 1.00 0.00 O ATOM 151 CB LEU A 9 -1.670 -7.498 2.564 1.00 0.00 C ATOM 152 CG LEU A 9 -0.544 -8.541 2.716 1.00 0.00 C ATOM 153 CD1 LEU A 9 0.666 -7.983 3.469 1.00 0.00 C ATOM 154 CD2 LEU A 9 -1.013 -9.863 3.342 1.00 0.00 C ATOM 0 H LEU A 9 -3.606 -5.883 2.631 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.699 -8.079 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.362 -7.854 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.229 -6.575 2.189 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.233 -8.770 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.431 -8.755 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.069 -7.128 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.360 -7.669 4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.169 -10.549 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.416 -9.672 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.787 -10.308 2.716 1.00 0.00 H new ATOM 166 N HIS A 10 -1.385 -5.080 4.370 1.00 0.00 N ATOM 167 CA HIS A 10 -0.610 -3.988 4.987 1.00 0.00 C ATOM 168 C HIS A 10 0.802 -4.012 4.386 1.00 0.00 C ATOM 169 O HIS A 10 1.457 -5.052 4.375 1.00 0.00 O ATOM 170 CB HIS A 10 -0.493 -4.033 6.525 1.00 0.00 C ATOM 171 CG HIS A 10 -1.736 -3.622 7.273 1.00 0.00 C ATOM 172 ND1 HIS A 10 -2.473 -4.524 8.039 1.00 0.00 N ATOM 173 CD2 HIS A 10 -2.312 -2.382 7.366 1.00 0.00 C ATOM 174 CE1 HIS A 10 -3.439 -3.786 8.592 1.00 0.00 C ATOM 175 NE2 HIS A 10 -3.382 -2.494 8.225 1.00 0.00 N ATOM 0 H HIS A 10 -1.698 -4.801 3.440 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.159 -3.072 4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.226 -5.047 6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.328 -3.384 6.831 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.987 -1.485 6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.186 -4.185 9.262 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.007 -1.745 8.524 1.00 0.00 H new ATOM 183 N ARG A 11 1.279 -2.847 3.929 1.00 0.00 N ATOM 184 CA ARG A 11 2.562 -2.598 3.300 1.00 0.00 C ATOM 185 C ARG A 11 3.779 -3.162 4.043 1.00 0.00 C ATOM 186 O ARG A 11 3.795 -3.269 5.269 1.00 0.00 O ATOM 187 CB ARG A 11 2.683 -1.080 3.100 1.00 0.00 C ATOM 188 CG ARG A 11 2.960 -0.217 4.348 1.00 0.00 C ATOM 189 CD ARG A 11 2.017 -0.471 5.533 1.00 0.00 C ATOM 190 NE ARG A 11 2.196 0.532 6.592 1.00 0.00 N ATOM 191 CZ ARG A 11 1.624 0.492 7.809 1.00 0.00 C ATOM 192 NH1 ARG A 11 0.770 -0.488 8.147 1.00 0.00 N ATOM 193 NH2 ARG A 11 1.908 1.453 8.699 1.00 0.00 N ATOM 0 H ARG A 11 0.726 -1.993 4.000 1.00 0.00 H new ATOM 0 HA ARG A 11 2.577 -3.137 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.482 -0.898 2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.758 -0.726 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.985 -0.394 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.892 0.834 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.984 -0.454 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.201 -1.466 5.939 1.00 0.00 H new ATOM 0 HE ARG A 11 2.805 1.325 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.544 -1.221 7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.348 -0.499 9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.552 2.204 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.480 1.433 9.625 1.00 0.00 H new ATOM 207 N ASN A 12 4.801 -3.527 3.256 1.00 0.00 N ATOM 208 CA ASN A 12 6.075 -4.075 3.704 1.00 0.00 C ATOM 209 C ASN A 12 7.179 -3.559 2.764 1.00 0.00 C ATOM 210 O ASN A 12 7.659 -4.323 1.926 1.00 0.00 O ATOM 211 CB ASN A 12 6.029 -5.622 3.774 1.00 0.00 C ATOM 212 CG ASN A 12 4.727 -6.197 4.342 1.00 0.00 C ATOM 213 OD1 ASN A 12 4.563 -6.283 5.557 1.00 0.00 O ATOM 214 ND2 ASN A 12 3.796 -6.593 3.469 1.00 0.00 N ATOM 0 H ASN A 12 4.752 -3.441 2.241 1.00 0.00 H new ATOM 0 HA ASN A 12 6.292 -3.741 4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.181 -6.023 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.862 -5.970 4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.915 -6.982 3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.967 -6.507 2.467 1.00 0.00 H new ATOM 221 N PRO A 13 7.580 -2.272 2.872 1.00 0.00 N ATOM 222 CA PRO A 13 8.619 -1.643 2.062 1.00 0.00 C ATOM 223 C PRO A 13 9.846 -2.532 1.878 1.00 0.00 C ATOM 224 O PRO A 13 10.203 -2.909 0.762 1.00 0.00 O ATOM 225 CB PRO A 13 8.951 -0.321 2.770 1.00 0.00 C ATOM 226 CG PRO A 13 7.592 0.082 3.330 1.00 0.00 C ATOM 227 CD PRO A 13 6.965 -1.261 3.719 1.00 0.00 C ATOM 0 HA PRO A 13 8.269 -1.470 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.694 -0.454 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.346 0.424 2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.691 0.745 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.990 0.608 2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.141 -1.479 4.772 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.885 -1.240 3.574 1.00 0.00 H new ATOM 235 N GLY A 14 10.450 -2.860 3.018 1.00 0.00 N ATOM 236 CA GLY A 14 11.623 -3.706 3.165 1.00 0.00 C ATOM 237 C GLY A 14 12.936 -2.944 3.384 1.00 0.00 C ATOM 238 O GLY A 14 13.030 -1.743 3.142 1.00 0.00 O ATOM 0 H GLY A 14 10.109 -2.519 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.465 -4.381 4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.722 -4.326 2.274 1.00 0.00 H new ATOM 242 N ARG A 15 13.946 -3.654 3.904 1.00 0.00 N ATOM 243 CA ARG A 15 15.294 -3.141 4.135 1.00 0.00 C ATOM 244 C ARG A 15 16.060 -3.452 2.842 1.00 0.00 C ATOM 245 O ARG A 15 16.667 -4.519 2.739 1.00 0.00 O ATOM 246 CB ARG A 15 15.905 -3.805 5.383 1.00 0.00 C ATOM 247 CG ARG A 15 17.293 -3.226 5.709 1.00 0.00 C ATOM 248 CD ARG A 15 17.930 -3.908 6.930 1.00 0.00 C ATOM 249 NE ARG A 15 18.176 -5.342 6.706 1.00 0.00 N ATOM 250 CZ ARG A 15 19.166 -5.872 5.962 1.00 0.00 C ATOM 251 NH1 ARG A 15 20.066 -5.097 5.336 1.00 0.00 N ATOM 252 NH2 ARG A 15 19.254 -7.204 5.843 1.00 0.00 N ATOM 0 H ARG A 15 13.840 -4.630 4.182 1.00 0.00 H new ATOM 0 HA ARG A 15 15.323 -2.071 4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.241 -3.661 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 15 15.987 -4.880 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 15 17.947 -3.345 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 15 17.204 -2.156 5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 15 18.871 -3.413 7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.277 -3.785 7.794 1.00 0.00 H new ATOM 0 HE ARG A 15 17.536 -5.996 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 15 20.010 -4.082 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 15 20.806 -5.523 4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 15 18.576 -7.804 6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 15 19.999 -7.618 5.282 1.00 0.00 H new ATOM 266 N CYS A 16 16.019 -2.544 1.850 1.00 0.00 N ATOM 267 CA CYS A 16 16.664 -2.769 0.556 1.00 0.00 C ATOM 268 C CYS A 16 17.275 -1.469 0.024 1.00 0.00 C ATOM 269 O CYS A 16 18.494 -1.300 0.028 1.00 0.00 O ATOM 270 CB CYS A 16 15.620 -3.431 -0.366 1.00 0.00 C ATOM 271 SG CYS A 16 16.218 -4.351 -1.817 1.00 0.00 S ATOM 0 H CYS A 16 15.542 -1.646 1.927 1.00 0.00 H new ATOM 0 HA CYS A 16 17.514 -3.447 0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.026 -4.115 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.946 -2.651 -0.720 1.00 0.00 H new ATOM 276 N TYR A 17 16.408 -0.564 -0.427 1.00 0.00 N ATOM 277 CA TYR A 17 16.719 0.757 -0.967 1.00 0.00 C ATOM 278 C TYR A 17 15.418 1.549 -1.198 1.00 0.00 C ATOM 279 O TYR A 17 14.760 1.399 -2.225 1.00 0.00 O ATOM 280 CB TYR A 17 17.604 0.686 -2.237 1.00 0.00 C ATOM 281 CG TYR A 17 17.136 -0.180 -3.403 1.00 0.00 C ATOM 282 CD1 TYR A 17 17.500 -1.546 -3.463 1.00 0.00 C ATOM 283 CD2 TYR A 17 16.381 0.383 -4.459 1.00 0.00 C ATOM 284 CE1 TYR A 17 17.090 -2.345 -4.552 1.00 0.00 C ATOM 285 CE2 TYR A 17 15.953 -0.420 -5.536 1.00 0.00 C ATOM 286 CZ TYR A 17 16.299 -1.788 -5.580 1.00 0.00 C ATOM 287 OH TYR A 17 15.867 -2.568 -6.614 1.00 0.00 O ATOM 0 H TYR A 17 15.404 -0.747 -0.424 1.00 0.00 H new ATOM 0 HA TYR A 17 17.317 1.293 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 17 17.732 1.702 -2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 17 18.589 0.331 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.094 -1.979 -2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.131 1.434 -4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.382 -3.384 -4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.360 0.012 -6.328 1.00 0.00 H new ATOM 0 HH TYR A 17 15.334 -2.026 -7.232 1.00 0.00 H new ATOM 297 N GLN A 18 15.057 2.391 -0.216 1.00 0.00 N ATOM 298 CA GLN A 18 13.897 3.293 -0.173 1.00 0.00 C ATOM 299 C GLN A 18 13.789 4.047 -1.516 1.00 0.00 C ATOM 300 O GLN A 18 14.710 4.806 -1.822 1.00 0.00 O ATOM 301 CB GLN A 18 14.120 4.253 1.012 1.00 0.00 C ATOM 302 CG GLN A 18 12.902 5.135 1.287 1.00 0.00 C ATOM 303 CD GLN A 18 13.175 6.153 2.397 1.00 0.00 C ATOM 304 OE1 GLN A 18 13.431 7.323 2.121 1.00 0.00 O ATOM 305 NE2 GLN A 18 13.117 5.714 3.658 1.00 0.00 N ATOM 0 H GLN A 18 15.614 2.463 0.636 1.00 0.00 H new ATOM 0 HA GLN A 18 12.960 2.753 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.355 3.674 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.984 4.885 0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.620 5.660 0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.056 4.508 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.901 4.735 3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.288 6.358 4.430 1.00 0.00 H new ATOM 314 N LYS A 19 12.710 3.873 -2.317 1.00 0.00 N ATOM 315 CA LYS A 19 12.654 4.527 -3.632 1.00 0.00 C ATOM 316 C LYS A 19 11.310 4.729 -4.352 1.00 0.00 C ATOM 317 O LYS A 19 11.301 5.469 -5.337 1.00 0.00 O ATOM 318 CB LYS A 19 13.531 3.644 -4.544 1.00 0.00 C ATOM 319 CG LYS A 19 13.958 4.231 -5.895 1.00 0.00 C ATOM 320 CD LYS A 19 14.712 5.556 -5.720 1.00 0.00 C ATOM 321 CE LYS A 19 15.393 5.977 -7.028 1.00 0.00 C ATOM 322 NZ LYS A 19 16.120 7.250 -6.875 1.00 0.00 N ATOM 0 H LYS A 19 11.897 3.305 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 19 12.964 5.554 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.433 3.380 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.991 2.717 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.593 3.516 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.078 4.392 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.019 6.334 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.460 5.452 -4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.086 5.198 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.644 6.077 -7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.568 7.505 -7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.454 7.999 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.851 7.146 -6.143 1.00 0.00 H new ATOM 336 N ILE A 20 10.192 4.130 -3.921 1.00 0.00 N ATOM 337 CA ILE A 20 8.910 4.270 -4.647 1.00 0.00 C ATOM 338 C ILE A 20 7.824 4.800 -3.704 1.00 0.00 C ATOM 339 O ILE A 20 6.862 4.088 -3.417 1.00 0.00 O ATOM 340 CB ILE A 20 8.517 2.918 -5.324 1.00 0.00 C ATOM 341 CG1 ILE A 20 9.618 2.329 -6.237 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.220 3.009 -6.156 1.00 0.00 C ATOM 343 CD1 ILE A 20 9.794 2.989 -7.605 1.00 0.00 C ATOM 0 H ILE A 20 10.142 3.549 -3.084 1.00 0.00 H new ATOM 0 HA ILE A 20 9.022 5.001 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 20 8.367 2.253 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.568 2.386 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.403 1.272 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.003 2.037 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.394 3.306 -5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.346 3.748 -6.947 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.594 2.488 -8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.865 2.910 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.049 4.040 -7.472 1.00 0.00 H new ATOM 355 N PRO A 21 7.917 6.053 -3.218 1.00 0.00 N ATOM 356 CA PRO A 21 6.894 6.572 -2.339 1.00 0.00 C ATOM 357 C PRO A 21 5.548 6.670 -3.037 1.00 0.00 C ATOM 358 O PRO A 21 5.424 7.184 -4.148 1.00 0.00 O ATOM 359 CB PRO A 21 7.348 7.912 -1.808 1.00 0.00 C ATOM 360 CG PRO A 21 8.497 8.314 -2.741 1.00 0.00 C ATOM 361 CD PRO A 21 9.014 6.997 -3.337 1.00 0.00 C ATOM 0 HA PRO A 21 6.752 5.883 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.541 8.644 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.682 7.838 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.151 8.990 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.284 8.834 -2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.307 7.127 -4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.894 6.644 -2.800 1.00 0.00 H new ATOM 369 N ALA A 22 4.558 6.144 -2.320 1.00 0.00 N ATOM 370 CA ALA A 22 3.166 6.105 -2.778 1.00 0.00 C ATOM 371 C ALA A 22 2.207 6.094 -1.576 1.00 0.00 C ATOM 372 O ALA A 22 2.455 6.830 -0.621 1.00 0.00 O ATOM 373 CB ALA A 22 3.010 4.917 -3.744 1.00 0.00 C ATOM 0 H ALA A 22 4.697 5.729 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 22 2.898 7.003 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.980 4.869 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.680 5.049 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.259 3.991 -3.225 1.00 0.00 H new ATOM 379 N PHE A 23 1.111 5.310 -1.617 1.00 0.00 N ATOM 380 CA PHE A 23 0.128 5.201 -0.532 1.00 0.00 C ATOM 381 C PHE A 23 -0.109 3.726 -0.129 1.00 0.00 C ATOM 382 O PHE A 23 0.152 2.794 -0.889 1.00 0.00 O ATOM 383 CB PHE A 23 -1.228 5.796 -0.942 1.00 0.00 C ATOM 384 CG PHE A 23 -1.244 7.251 -1.377 1.00 0.00 C ATOM 385 CD1 PHE A 23 -1.220 8.256 -0.389 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.316 7.616 -2.739 1.00 0.00 C ATOM 387 CE1 PHE A 23 -1.172 9.617 -0.746 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.281 8.984 -3.099 1.00 0.00 C ATOM 389 CZ PHE A 23 -1.194 9.981 -2.106 1.00 0.00 C ATOM 0 H PHE A 23 0.884 4.726 -2.422 1.00 0.00 H new ATOM 0 HA PHE A 23 0.541 5.756 0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.628 5.195 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.913 5.687 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.239 7.979 0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.397 6.856 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.119 10.378 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.321 9.266 -4.141 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.144 11.022 -2.388 1.00 0.00 H new ATOM 399 N TYR A 24 -0.664 3.556 1.076 1.00 0.00 N ATOM 400 CA TYR A 24 -1.019 2.335 1.788 1.00 0.00 C ATOM 401 C TYR A 24 -2.359 2.507 2.520 1.00 0.00 C ATOM 402 O TYR A 24 -2.604 3.550 3.118 1.00 0.00 O ATOM 403 CB TYR A 24 0.105 1.973 2.784 1.00 0.00 C ATOM 404 CG TYR A 24 -0.141 2.320 4.254 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.844 1.406 5.073 1.00 0.00 C ATOM 406 CD2 TYR A 24 0.262 3.562 4.797 1.00 0.00 C ATOM 407 CE1 TYR A 24 -1.091 1.702 6.428 1.00 0.00 C ATOM 408 CE2 TYR A 24 0.053 3.842 6.164 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.612 2.906 6.984 1.00 0.00 C ATOM 410 OH TYR A 24 -0.781 3.160 8.315 1.00 0.00 O ATOM 0 H TYR A 24 -0.901 4.373 1.638 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.132 1.523 1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.290 0.901 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.018 2.475 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.194 0.473 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.732 4.299 4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.647 1.007 7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.402 4.774 6.583 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.392 4.032 8.534 1.00 0.00 H new ATOM 420 N TYR A 25 -3.162 1.439 2.575 1.00 0.00 N ATOM 421 CA TYR A 25 -4.481 1.387 3.201 1.00 0.00 C ATOM 422 C TYR A 25 -4.381 1.240 4.719 1.00 0.00 C ATOM 423 O TYR A 25 -3.935 0.192 5.187 1.00 0.00 O ATOM 424 CB TYR A 25 -5.200 0.139 2.635 1.00 0.00 C ATOM 425 CG TYR A 25 -6.602 -0.295 3.107 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.334 0.366 4.126 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.206 -1.392 2.448 1.00 0.00 C ATOM 428 CE1 TYR A 25 -8.659 -0.019 4.428 1.00 0.00 C ATOM 429 CE2 TYR A 25 -8.527 -1.787 2.756 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.243 -1.118 3.768 1.00 0.00 C ATOM 431 OH TYR A 25 -10.506 -1.518 4.097 1.00 0.00 O ATOM 0 H TYR A 25 -2.893 0.545 2.163 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.018 2.311 2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.264 0.279 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.537 -0.708 2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.873 1.173 4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.649 -1.935 1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.225 0.530 5.166 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.987 -2.601 2.216 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.759 -2.289 3.547 1.00 0.00 H new ATOM 441 N ASN A 26 -4.796 2.262 5.495 1.00 0.00 N ATOM 442 CA ASN A 26 -4.839 2.139 6.938 1.00 0.00 C ATOM 443 C ASN A 26 -6.121 1.363 7.256 1.00 0.00 C ATOM 444 O ASN A 26 -7.209 1.943 7.260 1.00 0.00 O ATOM 445 CB ASN A 26 -4.859 3.521 7.625 1.00 0.00 C ATOM 446 CG ASN A 26 -3.925 4.576 7.043 1.00 0.00 C ATOM 447 OD1 ASN A 26 -4.050 4.943 5.879 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.007 5.089 7.865 1.00 0.00 N ATOM 0 H ASN A 26 -5.100 3.167 5.136 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.952 1.626 7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.878 3.907 7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.608 3.384 8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.374 5.816 7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.939 4.754 8.826 1.00 0.00 H new ATOM 455 N GLN A 27 -6.002 0.048 7.500 1.00 0.00 N ATOM 456 CA GLN A 27 -7.127 -0.835 7.805 1.00 0.00 C ATOM 457 C GLN A 27 -7.568 -0.712 9.276 1.00 0.00 C ATOM 458 O GLN A 27 -7.848 -1.702 9.953 1.00 0.00 O ATOM 459 CB GLN A 27 -6.732 -2.292 7.482 1.00 0.00 C ATOM 460 CG GLN A 27 -6.065 -2.498 6.109 1.00 0.00 C ATOM 461 CD GLN A 27 -5.392 -3.867 5.960 1.00 0.00 C ATOM 462 OE1 GLN A 27 -4.332 -3.970 5.344 1.00 0.00 O ATOM 463 NE2 GLN A 27 -5.989 -4.925 6.519 1.00 0.00 N ATOM 0 H GLN A 27 -5.103 -0.435 7.489 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.975 -0.536 7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.052 -2.648 8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.626 -2.914 7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.816 -2.383 5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.321 -1.717 5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.868 -4.807 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.566 -5.850 6.441 1.00 0.00 H new ATOM 472 N LYS A 28 -7.615 0.532 9.751 1.00 0.00 N ATOM 473 CA LYS A 28 -8.021 1.011 11.067 1.00 0.00 C ATOM 474 C LYS A 28 -9.100 2.072 10.820 1.00 0.00 C ATOM 475 O LYS A 28 -10.102 2.173 11.527 1.00 0.00 O ATOM 476 CB LYS A 28 -6.825 1.589 11.849 1.00 0.00 C ATOM 477 CG LYS A 28 -5.699 0.575 12.130 1.00 0.00 C ATOM 478 CD LYS A 28 -4.637 0.521 11.016 1.00 0.00 C ATOM 479 CE LYS A 28 -3.488 -0.441 11.349 1.00 0.00 C ATOM 480 NZ LYS A 28 -3.943 -1.839 11.447 1.00 0.00 N ATOM 0 H LYS A 28 -7.339 1.312 9.155 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.408 0.197 11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.411 2.427 11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.185 1.986 12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.215 0.832 13.072 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.135 -0.416 12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.108 0.211 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.234 1.521 10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.718 -0.364 10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.029 -0.143 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.122 -2.462 11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.595 -1.936 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.433 -2.107 10.570 1.00 0.00 H new ATOM 494 N LYS A 29 -8.838 2.837 9.762 1.00 0.00 N ATOM 495 CA LYS A 29 -9.559 3.908 9.147 1.00 0.00 C ATOM 496 C LYS A 29 -10.255 3.343 7.942 1.00 0.00 C ATOM 497 O LYS A 29 -11.043 2.401 8.054 1.00 0.00 O ATOM 498 CB LYS A 29 -8.513 5.016 8.932 1.00 0.00 C ATOM 499 CG LYS A 29 -9.008 6.351 8.348 1.00 0.00 C ATOM 500 CD LYS A 29 -8.098 7.516 8.768 1.00 0.00 C ATOM 501 CE LYS A 29 -6.617 7.279 8.422 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.802 8.481 8.665 1.00 0.00 N ATOM 0 H LYS A 29 -7.971 2.676 9.250 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.367 4.362 9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.039 5.223 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.739 4.625 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.039 6.285 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.027 6.543 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.438 8.429 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.193 7.675 9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.232 6.452 9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.530 6.986 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.811 8.283 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.154 9.264 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.865 8.746 9.669 1.00 0.00 H new ATOM 516 N LYS A 30 -9.969 3.960 6.810 1.00 0.00 N ATOM 517 CA LYS A 30 -10.598 3.707 5.546 1.00 0.00 C ATOM 518 C LYS A 30 -10.079 4.762 4.545 1.00 0.00 C ATOM 519 O LYS A 30 -10.860 5.410 3.847 1.00 0.00 O ATOM 520 CB LYS A 30 -12.122 3.786 5.750 1.00 0.00 C ATOM 521 CG LYS A 30 -12.551 4.997 6.565 1.00 0.00 C ATOM 522 CD LYS A 30 -14.072 5.210 6.635 1.00 0.00 C ATOM 523 CE LYS A 30 -14.854 4.001 7.174 1.00 0.00 C ATOM 524 NZ LYS A 30 -14.390 3.580 8.508 1.00 0.00 N ATOM 0 H LYS A 30 -9.255 4.686 6.755 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.365 2.719 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.612 3.818 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.464 2.879 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.164 4.893 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.091 5.888 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.278 6.073 7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.440 5.451 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.914 4.250 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.754 3.168 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.970 2.784 8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.395 3.284 8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.477 4.375 9.173 1.00 0.00 H new ATOM 538 N GLN A 31 -8.751 4.952 4.492 1.00 0.00 N ATOM 539 CA GLN A 31 -8.053 5.919 3.660 1.00 0.00 C ATOM 540 C GLN A 31 -6.666 5.359 3.343 1.00 0.00 C ATOM 541 O GLN A 31 -6.093 4.608 4.138 1.00 0.00 O ATOM 542 CB GLN A 31 -7.952 7.257 4.416 1.00 0.00 C ATOM 543 CG GLN A 31 -7.266 8.364 3.600 1.00 0.00 C ATOM 544 CD GLN A 31 -7.215 9.685 4.371 1.00 0.00 C ATOM 545 OE1 GLN A 31 -6.168 10.064 4.895 1.00 0.00 O ATOM 546 NE2 GLN A 31 -8.346 10.392 4.446 1.00 0.00 N ATOM 0 H GLN A 31 -8.110 4.401 5.063 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.590 6.096 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.953 7.587 4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.399 7.102 5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.253 8.053 3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.802 8.510 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.195 10.045 3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.361 11.278 4.951 1.00 0.00 H new ATOM 555 N CYS A 32 -6.141 5.708 2.162 1.00 0.00 N ATOM 556 CA CYS A 32 -4.826 5.291 1.724 1.00 0.00 C ATOM 557 C CYS A 32 -3.882 6.417 2.143 1.00 0.00 C ATOM 558 O CYS A 32 -3.798 7.448 1.475 1.00 0.00 O ATOM 559 CB CYS A 32 -4.806 5.057 0.215 1.00 0.00 C ATOM 560 SG CYS A 32 -3.734 3.745 -0.419 1.00 0.00 S ATOM 0 H CYS A 32 -6.631 6.294 1.486 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.524 4.344 2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.825 4.841 -0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.513 5.991 -0.265 1.00 0.00 H new ATOM 565 N GLU A 33 -3.219 6.245 3.287 1.00 0.00 N ATOM 566 CA GLU A 33 -2.256 7.195 3.818 1.00 0.00 C ATOM 567 C GLU A 33 -0.982 6.946 3.059 1.00 0.00 C ATOM 568 O GLU A 33 -0.750 5.878 2.514 1.00 0.00 O ATOM 569 CB GLU A 33 -2.043 6.960 5.303 1.00 0.00 C ATOM 570 CG GLU A 33 -0.859 7.540 6.059 1.00 0.00 C ATOM 571 CD GLU A 33 -0.822 9.069 6.059 1.00 0.00 C ATOM 572 OE1 GLU A 33 -1.768 9.664 6.620 1.00 0.00 O ATOM 573 OE2 GLU A 33 0.151 9.619 5.497 1.00 0.00 O ATOM 0 H GLU A 33 -3.343 5.423 3.878 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.599 8.223 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.941 7.317 5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.006 5.880 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.888 7.186 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.063 7.163 5.618 1.00 0.00 H new ATOM 580 N GLY A 34 -0.117 7.934 3.081 1.00 0.00 N ATOM 581 CA GLY A 34 1.128 7.821 2.325 1.00 0.00 C ATOM 582 C GLY A 34 2.177 6.951 3.006 1.00 0.00 C ATOM 583 O GLY A 34 2.248 6.931 4.235 1.00 0.00 O ATOM 0 H GLY A 34 -0.238 8.806 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.909 7.408 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.540 8.818 2.169 1.00 0.00 H new ATOM 587 N PHE A 35 2.985 6.228 2.209 1.00 0.00 N ATOM 588 CA PHE A 35 4.005 5.352 2.777 1.00 0.00 C ATOM 589 C PHE A 35 5.197 5.388 1.797 1.00 0.00 C ATOM 590 O PHE A 35 5.001 5.623 0.599 1.00 0.00 O ATOM 591 CB PHE A 35 3.486 3.896 2.871 1.00 0.00 C ATOM 592 CG PHE A 35 3.590 2.966 1.671 1.00 0.00 C ATOM 593 CD1 PHE A 35 3.000 3.261 0.430 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.373 1.797 1.808 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.144 2.366 -0.651 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.545 0.917 0.722 1.00 0.00 C ATOM 597 CZ PHE A 35 3.912 1.192 -0.505 1.00 0.00 C ATOM 0 H PHE A 35 2.947 6.237 1.190 1.00 0.00 H new ATOM 0 HA PHE A 35 4.277 5.682 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.013 3.418 3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.434 3.946 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.436 4.173 0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.844 1.577 2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.664 2.581 -1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.160 0.035 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.014 0.506 -1.333 1.00 0.00 H new ATOM 607 N THR A 36 6.424 5.131 2.276 1.00 0.00 N ATOM 608 CA THR A 36 7.607 5.116 1.414 1.00 0.00 C ATOM 609 C THR A 36 8.026 3.660 1.192 1.00 0.00 C ATOM 610 O THR A 36 8.431 2.986 2.140 1.00 0.00 O ATOM 611 CB THR A 36 8.760 5.966 1.974 1.00 0.00 C ATOM 612 OG1 THR A 36 8.302 7.255 2.334 1.00 0.00 O ATOM 613 CG2 THR A 36 9.833 6.108 0.879 1.00 0.00 C ATOM 0 H THR A 36 6.619 4.931 3.257 1.00 0.00 H new ATOM 0 HA THR A 36 7.353 5.575 0.459 1.00 0.00 H new ATOM 0 HB THR A 36 9.167 5.479 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.049 7.780 2.690 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.661 6.708 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.199 5.121 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.400 6.596 0.006 1.00 0.00 H new ATOM 621 N TRP A 37 7.932 3.181 -0.059 1.00 0.00 N ATOM 622 CA TRP A 37 8.303 1.808 -0.423 1.00 0.00 C ATOM 623 C TRP A 37 9.827 1.668 -0.569 1.00 0.00 C ATOM 624 O TRP A 37 10.515 2.667 -0.784 1.00 0.00 O ATOM 625 CB TRP A 37 7.621 1.488 -1.752 1.00 0.00 C ATOM 626 CG TRP A 37 7.945 0.218 -2.478 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.174 -0.889 -2.508 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.085 -0.068 -3.346 1.00 0.00 C ATOM 629 NE1 TRP A 37 7.659 -1.764 -3.457 1.00 0.00 N ATOM 630 CE2 TRP A 37 8.805 -1.274 -4.055 1.00 0.00 C ATOM 631 CE3 TRP A 37 10.293 0.603 -3.673 1.00 0.00 C ATOM 632 CZ2 TRP A 37 9.620 -1.716 -5.114 1.00 0.00 C ATOM 633 CZ3 TRP A 37 11.188 0.077 -4.629 1.00 0.00 C ATOM 634 CH2 TRP A 37 10.833 -1.057 -5.382 1.00 0.00 C ATOM 0 H TRP A 37 7.596 3.737 -0.846 1.00 0.00 H new ATOM 0 HA TRP A 37 7.985 1.117 0.358 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.546 1.493 -1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.835 2.313 -2.432 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.310 -1.063 -1.884 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.227 -2.659 -3.688 1.00 0.00 H new ATOM 0 HE3 TRP A 37 10.531 1.534 -3.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.315 -2.558 -5.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 12.148 0.546 -4.783 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.488 -1.419 -6.161 1.00 0.00 H new ATOM 645 N SER A 38 10.349 0.430 -0.478 1.00 0.00 N ATOM 646 CA SER A 38 11.769 0.125 -0.627 1.00 0.00 C ATOM 647 C SER A 38 11.971 -1.037 -1.616 1.00 0.00 C ATOM 648 O SER A 38 11.112 -1.904 -1.770 1.00 0.00 O ATOM 649 CB SER A 38 12.361 -0.164 0.753 1.00 0.00 C ATOM 650 OG SER A 38 13.742 -0.438 0.684 1.00 0.00 O ATOM 0 H SER A 38 9.778 -0.395 -0.295 1.00 0.00 H new ATOM 0 HA SER A 38 12.298 0.980 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.193 0.692 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.844 -1.013 1.200 1.00 0.00 H new ATOM 0 HG SER A 38 14.174 -0.151 1.515 1.00 0.00 H new ATOM 656 N GLY A 39 13.129 -1.001 -2.292 1.00 0.00 N ATOM 657 CA GLY A 39 13.653 -1.899 -3.314 1.00 0.00 C ATOM 658 C GLY A 39 13.107 -3.327 -3.372 1.00 0.00 C ATOM 659 O GLY A 39 12.717 -3.789 -4.444 1.00 0.00 O ATOM 0 H GLY A 39 13.794 -0.250 -2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.478 -1.436 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.733 -1.961 -3.181 1.00 0.00 H new ATOM 663 N CYS A 40 13.096 -4.022 -2.228 1.00 0.00 N ATOM 664 CA CYS A 40 12.662 -5.403 -2.095 1.00 0.00 C ATOM 665 C CYS A 40 12.179 -5.653 -0.659 1.00 0.00 C ATOM 666 O CYS A 40 12.915 -5.393 0.292 1.00 0.00 O ATOM 667 CB CYS A 40 13.834 -6.323 -2.496 1.00 0.00 C ATOM 668 SG CYS A 40 15.419 -6.237 -1.580 1.00 0.00 S ATOM 0 H CYS A 40 13.401 -3.617 -1.343 1.00 0.00 H new ATOM 0 HA CYS A 40 11.822 -5.619 -2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.477 -7.351 -2.431 1.00 0.00 H new ATOM 0 HB3 CYS A 40 14.055 -6.128 -3.546 1.00 0.00 H new ATOM 673 N GLY A 41 10.944 -6.158 -0.499 1.00 0.00 N ATOM 674 CA GLY A 41 10.340 -6.443 0.799 1.00 0.00 C ATOM 675 C GLY A 41 9.352 -7.613 0.745 1.00 0.00 C ATOM 676 O GLY A 41 9.594 -8.601 0.052 1.00 0.00 O ATOM 0 H GLY A 41 10.333 -6.381 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.126 -6.669 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.824 -5.553 1.159 1.00 0.00 H new ATOM 680 N GLY A 42 8.240 -7.494 1.489 1.00 0.00 N ATOM 681 CA GLY A 42 7.194 -8.505 1.601 1.00 0.00 C ATOM 682 C GLY A 42 6.207 -8.509 0.428 1.00 0.00 C ATOM 683 O GLY A 42 6.607 -8.736 -0.714 1.00 0.00 O ATOM 0 H GLY A 42 8.045 -6.661 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.659 -9.488 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.642 -8.342 2.527 1.00 0.00 H new ATOM 687 N ASN A 43 4.918 -8.270 0.720 1.00 0.00 N ATOM 688 CA ASN A 43 3.812 -8.266 -0.240 1.00 0.00 C ATOM 689 C ASN A 43 3.739 -6.942 -1.019 1.00 0.00 C ATOM 690 O ASN A 43 4.711 -6.598 -1.694 1.00 0.00 O ATOM 691 CB ASN A 43 2.511 -8.634 0.498 1.00 0.00 C ATOM 692 CG ASN A 43 2.571 -10.048 1.092 1.00 0.00 C ATOM 693 OD1 ASN A 43 3.097 -10.245 2.186 1.00 0.00 O ATOM 694 ND2 ASN A 43 2.044 -11.041 0.369 1.00 0.00 N ATOM 0 H ASN A 43 4.610 -8.067 1.671 1.00 0.00 H new ATOM 0 HA ASN A 43 3.979 -9.022 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.329 -7.913 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.670 -8.565 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.071 -11.998 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.615 -10.842 -0.535 1.00 0.00 H new ATOM 701 N SER A 44 2.611 -6.209 -0.955 1.00 0.00 N ATOM 702 CA SER A 44 2.423 -4.962 -1.696 1.00 0.00 C ATOM 703 C SER A 44 1.669 -3.872 -0.915 1.00 0.00 C ATOM 704 O SER A 44 2.320 -3.017 -0.314 1.00 0.00 O ATOM 705 CB SER A 44 1.717 -5.278 -3.032 1.00 0.00 C ATOM 706 OG SER A 44 2.540 -6.066 -3.868 1.00 0.00 O ATOM 0 H SER A 44 1.807 -6.472 -0.385 1.00 0.00 H new ATOM 0 HA SER A 44 3.412 -4.541 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.782 -5.803 -2.837 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.461 -4.348 -3.540 1.00 0.00 H new ATOM 0 HG SER A 44 2.070 -6.254 -4.707 1.00 0.00 H new ATOM 712 N ASN A 45 0.319 -3.869 -0.942 1.00 0.00 N ATOM 713 CA ASN A 45 -0.539 -2.839 -0.321 1.00 0.00 C ATOM 714 C ASN A 45 -0.143 -1.417 -0.802 1.00 0.00 C ATOM 715 O ASN A 45 -0.389 -0.415 -0.140 1.00 0.00 O ATOM 716 CB ASN A 45 -0.602 -3.114 1.205 1.00 0.00 C ATOM 717 CG ASN A 45 -1.329 -2.101 2.104 1.00 0.00 C ATOM 718 OD1 ASN A 45 -0.739 -1.107 2.492 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.560 -2.353 2.554 1.00 0.00 N ATOM 0 H ASN A 45 -0.217 -4.601 -1.408 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.576 -2.893 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.077 -4.084 1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.422 -3.204 1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.001 -1.716 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.060 -3.182 2.234 1.00 0.00 H new ATOM 726 N ARG A 46 0.481 -1.358 -1.989 1.00 0.00 N ATOM 727 CA ARG A 46 0.984 -0.217 -2.734 1.00 0.00 C ATOM 728 C ARG A 46 -0.049 0.347 -3.720 1.00 0.00 C ATOM 729 O ARG A 46 -0.514 -0.395 -4.587 1.00 0.00 O ATOM 730 CB ARG A 46 2.229 -0.724 -3.468 1.00 0.00 C ATOM 731 CG ARG A 46 3.014 0.404 -4.160 1.00 0.00 C ATOM 732 CD ARG A 46 4.344 -0.100 -4.736 1.00 0.00 C ATOM 733 NE ARG A 46 4.149 -0.907 -5.951 1.00 0.00 N ATOM 734 CZ ARG A 46 4.037 -0.429 -7.205 1.00 0.00 C ATOM 735 NH1 ARG A 46 4.091 0.888 -7.462 1.00 0.00 N ATOM 736 NH2 ARG A 46 3.866 -1.287 -8.221 1.00 0.00 N ATOM 0 H ARG A 46 0.661 -2.221 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 46 1.212 0.610 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.882 -1.232 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.931 -1.462 -4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.409 0.830 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.207 1.204 -3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.985 0.751 -4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.862 -0.696 -3.984 1.00 0.00 H new ATOM 0 HE ARG A 46 4.094 -1.919 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.220 1.552 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.004 1.224 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.822 -2.290 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.780 -0.937 -9.175 1.00 0.00 H new ATOM 750 N PHE A 47 -0.372 1.647 -3.639 1.00 0.00 N ATOM 751 CA PHE A 47 -1.316 2.330 -4.495 1.00 0.00 C ATOM 752 C PHE A 47 -0.803 3.746 -4.793 1.00 0.00 C ATOM 753 O PHE A 47 -0.367 4.449 -3.885 1.00 0.00 O ATOM 754 CB PHE A 47 -2.646 2.297 -3.759 1.00 0.00 C ATOM 755 CG PHE A 47 -3.350 0.962 -3.945 1.00 0.00 C ATOM 756 CD1 PHE A 47 -4.041 0.691 -5.148 1.00 0.00 C ATOM 757 CD2 PHE A 47 -3.230 -0.049 -2.963 1.00 0.00 C ATOM 758 CE1 PHE A 47 -4.577 -0.592 -5.383 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.711 -1.348 -3.226 1.00 0.00 C ATOM 760 CZ PHE A 47 -4.391 -1.618 -4.433 1.00 0.00 C ATOM 0 H PHE A 47 0.043 2.265 -2.941 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.440 1.857 -5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.480 2.478 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.285 3.101 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.159 1.468 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.770 0.174 -2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.130 -0.789 -6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.559 -2.137 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.769 -2.610 -4.629 1.00 0.00 H new ATOM 770 N LYS A 48 -0.882 4.166 -6.065 1.00 0.00 N ATOM 771 CA LYS A 48 -0.402 5.435 -6.588 1.00 0.00 C ATOM 772 C LYS A 48 -1.275 6.631 -6.208 1.00 0.00 C ATOM 773 O LYS A 48 -0.714 7.672 -5.871 1.00 0.00 O ATOM 774 CB LYS A 48 -0.268 5.284 -8.114 1.00 0.00 C ATOM 775 CG LYS A 48 1.078 4.681 -8.560 1.00 0.00 C ATOM 776 CD LYS A 48 1.390 3.275 -8.017 1.00 0.00 C ATOM 777 CE LYS A 48 0.411 2.201 -8.515 1.00 0.00 C ATOM 778 NZ LYS A 48 0.716 0.881 -7.936 1.00 0.00 N ATOM 0 H LYS A 48 -1.309 3.589 -6.790 1.00 0.00 H new ATOM 0 HA LYS A 48 0.563 5.658 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.078 4.653 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.390 6.262 -8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.095 4.642 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.877 5.355 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.403 2.997 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.367 3.300 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.608 2.487 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.457 2.142 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.036 0.180 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.680 0.598 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.648 0.932 -6.900 1.00 0.00 H new ATOM 792 N THR A 49 -2.608 6.522 -6.312 1.00 0.00 N ATOM 793 CA THR A 49 -3.538 7.587 -5.920 1.00 0.00 C ATOM 794 C THR A 49 -4.496 7.006 -4.870 1.00 0.00 C ATOM 795 O THR A 49 -4.747 5.801 -4.837 1.00 0.00 O ATOM 796 CB THR A 49 -4.254 8.255 -7.120 1.00 0.00 C ATOM 797 OG1 THR A 49 -5.366 7.505 -7.557 1.00 0.00 O ATOM 798 CG2 THR A 49 -3.312 8.475 -8.315 1.00 0.00 C ATOM 0 H THR A 49 -3.071 5.688 -6.672 1.00 0.00 H new ATOM 0 HA THR A 49 -2.982 8.415 -5.480 1.00 0.00 H new ATOM 0 HB THR A 49 -4.593 9.223 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.791 7.960 -8.314 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.862 8.946 -9.130 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.487 9.120 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.919 7.515 -8.650 1.00 0.00 H new ATOM 806 N ILE A 50 -5.025 7.870 -3.996 1.00 0.00 N ATOM 807 CA ILE A 50 -5.941 7.482 -2.924 1.00 0.00 C ATOM 808 C ILE A 50 -7.284 6.966 -3.465 1.00 0.00 C ATOM 809 O ILE A 50 -7.936 6.144 -2.822 1.00 0.00 O ATOM 810 CB ILE A 50 -6.129 8.675 -1.948 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.757 9.142 -1.405 1.00 0.00 C ATOM 812 CG2 ILE A 50 -7.061 8.292 -0.780 1.00 0.00 C ATOM 813 CD1 ILE A 50 -4.839 10.280 -0.378 1.00 0.00 C ATOM 0 H ILE A 50 -4.825 8.870 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.500 6.648 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.592 9.495 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.252 8.291 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.140 9.467 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.176 9.145 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.037 8.004 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.630 7.455 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.835 10.546 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.314 11.149 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.427 9.954 0.480 1.00 0.00 H new ATOM 825 N GLU A 51 -7.668 7.388 -4.673 1.00 0.00 N ATOM 826 CA GLU A 51 -8.928 7.012 -5.302 1.00 0.00 C ATOM 827 C GLU A 51 -8.819 5.585 -5.770 1.00 0.00 C ATOM 828 O GLU A 51 -9.634 4.744 -5.426 1.00 0.00 O ATOM 829 CB GLU A 51 -9.251 7.976 -6.454 1.00 0.00 C ATOM 830 CG GLU A 51 -9.217 9.438 -5.989 1.00 0.00 C ATOM 831 CD GLU A 51 -9.887 10.371 -6.999 1.00 0.00 C ATOM 832 OE1 GLU A 51 -9.200 10.743 -7.976 1.00 0.00 O ATOM 833 OE2 GLU A 51 -11.077 10.690 -6.784 1.00 0.00 O ATOM 0 H GLU A 51 -7.100 8.011 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.750 7.083 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.533 7.833 -7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.236 7.744 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.719 9.525 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.183 9.748 -5.839 1.00 0.00 H new ATOM 840 N GLU A 52 -7.772 5.365 -6.549 1.00 0.00 N ATOM 841 CA GLU A 52 -7.313 4.104 -7.105 1.00 0.00 C ATOM 842 C GLU A 52 -7.195 3.056 -5.996 1.00 0.00 C ATOM 843 O GLU A 52 -7.513 1.884 -6.201 1.00 0.00 O ATOM 844 CB GLU A 52 -5.928 4.378 -7.719 1.00 0.00 C ATOM 845 CG GLU A 52 -6.018 4.860 -9.172 1.00 0.00 C ATOM 846 CD GLU A 52 -4.666 5.312 -9.735 1.00 0.00 C ATOM 847 OE1 GLU A 52 -3.650 4.666 -9.395 1.00 0.00 O ATOM 848 OE2 GLU A 52 -4.671 6.296 -10.507 1.00 0.00 O ATOM 0 H GLU A 52 -7.167 6.136 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.009 3.723 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.411 5.129 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.329 3.469 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.414 4.056 -9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.726 5.687 -9.232 1.00 0.00 H new ATOM 855 N CYS A 53 -6.726 3.498 -4.822 1.00 0.00 N ATOM 856 CA CYS A 53 -6.573 2.675 -3.645 1.00 0.00 C ATOM 857 C CYS A 53 -7.966 2.266 -3.186 1.00 0.00 C ATOM 858 O CYS A 53 -8.251 1.072 -3.135 1.00 0.00 O ATOM 859 CB CYS A 53 -5.844 3.459 -2.553 1.00 0.00 C ATOM 860 SG CYS A 53 -5.057 2.450 -1.268 1.00 0.00 S ATOM 0 H CYS A 53 -6.439 4.466 -4.675 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.980 1.787 -3.864 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.081 4.080 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.555 4.134 -2.077 1.00 0.00 H new ATOM 865 N ARG A 54 -8.843 3.252 -2.915 1.00 0.00 N ATOM 866 CA ARG A 54 -10.196 2.918 -2.442 1.00 0.00 C ATOM 867 C ARG A 54 -11.079 2.239 -3.516 1.00 0.00 C ATOM 868 O ARG A 54 -12.029 1.544 -3.161 1.00 0.00 O ATOM 869 CB ARG A 54 -10.920 4.129 -1.815 1.00 0.00 C ATOM 870 CG ARG A 54 -10.218 4.940 -0.691 1.00 0.00 C ATOM 871 CD ARG A 54 -9.736 4.167 0.526 1.00 0.00 C ATOM 872 NE ARG A 54 -8.686 3.218 0.182 1.00 0.00 N ATOM 873 CZ ARG A 54 -8.022 2.465 1.054 1.00 0.00 C ATOM 874 NH1 ARG A 54 -8.045 2.743 2.361 1.00 0.00 N ATOM 875 NH2 ARG A 54 -7.341 1.425 0.580 1.00 0.00 N ATOM 0 H ARG A 54 -8.649 4.249 -3.011 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.041 2.179 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.154 4.824 -2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.869 3.772 -1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.360 5.451 -1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.908 5.711 -0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.364 4.865 1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.575 3.635 0.974 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.441 3.124 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.577 3.543 2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.530 2.155 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.341 1.229 -0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.819 0.824 1.218 1.00 0.00 H new ATOM 889 N ARG A 55 -10.791 2.400 -4.815 1.00 0.00 N ATOM 890 CA ARG A 55 -11.537 1.801 -5.919 1.00 0.00 C ATOM 891 C ARG A 55 -11.460 0.272 -5.945 1.00 0.00 C ATOM 892 O ARG A 55 -12.390 -0.389 -6.400 1.00 0.00 O ATOM 893 CB ARG A 55 -10.916 2.328 -7.217 1.00 0.00 C ATOM 894 CG ARG A 55 -11.516 3.686 -7.601 1.00 0.00 C ATOM 895 CD ARG A 55 -12.748 3.515 -8.498 1.00 0.00 C ATOM 896 NE ARG A 55 -13.461 4.789 -8.668 1.00 0.00 N ATOM 897 CZ ARG A 55 -14.663 4.944 -9.253 1.00 0.00 C ATOM 898 NH1 ARG A 55 -15.325 3.900 -9.776 1.00 0.00 N ATOM 899 NH2 ARG A 55 -15.210 6.167 -9.314 1.00 0.00 N ATOM 0 H ARG A 55 -10.006 2.970 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.587 2.067 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.837 2.424 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.083 1.612 -8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.793 4.232 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.766 4.284 -8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.442 3.133 -9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.419 2.775 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.005 5.629 -8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.918 2.966 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.235 4.041 -10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.715 6.967 -8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.121 6.297 -9.755 1.00 0.00 H new ATOM 913 N THR A 56 -10.321 -0.258 -5.501 1.00 0.00 N ATOM 914 CA THR A 56 -9.982 -1.672 -5.457 1.00 0.00 C ATOM 915 C THR A 56 -10.128 -2.217 -4.036 1.00 0.00 C ATOM 916 O THR A 56 -10.840 -3.194 -3.831 1.00 0.00 O ATOM 917 CB THR A 56 -8.535 -1.861 -5.967 1.00 0.00 C ATOM 918 OG1 THR A 56 -8.412 -1.344 -7.280 1.00 0.00 O ATOM 919 CG2 THR A 56 -8.126 -3.344 -5.995 1.00 0.00 C ATOM 0 H THR A 56 -9.567 0.328 -5.141 1.00 0.00 H new ATOM 0 HA THR A 56 -10.666 -2.228 -6.098 1.00 0.00 H new ATOM 0 HB THR A 56 -7.881 -1.327 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.492 -1.466 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.103 -3.432 -6.359 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.190 -3.758 -4.989 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.795 -3.894 -6.657 1.00 0.00 H new ATOM 927 N CYS A 57 -9.469 -1.584 -3.057 1.00 0.00 N ATOM 928 CA CYS A 57 -9.430 -1.974 -1.673 1.00 0.00 C ATOM 929 C CYS A 57 -10.731 -1.753 -0.934 1.00 0.00 C ATOM 930 O CYS A 57 -11.031 -2.523 -0.022 1.00 0.00 O ATOM 931 CB CYS A 57 -8.293 -1.204 -1.017 1.00 0.00 C ATOM 932 SG CYS A 57 -6.619 -1.463 -1.679 1.00 0.00 S ATOM 0 H CYS A 57 -8.924 -0.741 -3.237 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.267 -3.051 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.522 -0.141 -1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.280 -1.459 0.043 1.00 0.00 H new ATOM 937 N ILE A 58 -11.462 -0.693 -1.293 1.00 0.00 N ATOM 938 CA ILE A 58 -12.766 -0.432 -0.667 1.00 0.00 C ATOM 939 C ILE A 58 -13.904 -0.925 -1.577 1.00 0.00 C ATOM 940 O ILE A 58 -14.985 -1.267 -1.099 1.00 0.00 O ATOM 941 CB ILE A 58 -12.983 1.000 -0.145 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.818 1.501 0.720 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.232 1.043 0.759 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.329 0.596 1.852 1.00 0.00 C ATOM 0 H ILE A 58 -11.182 -0.013 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.775 -1.018 0.252 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.081 1.629 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.973 1.699 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.112 2.455 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.381 2.059 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.106 0.732 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.093 0.369 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.504 1.081 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.145 0.415 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.988 -0.353 1.438 1.00 0.00 H new ATOM 956 N ARG A 59 -13.635 -0.996 -2.885 1.00 0.00 N ATOM 957 CA ARG A 59 -14.533 -1.439 -3.940 1.00 0.00 C ATOM 958 C ARG A 59 -15.663 -0.409 -4.116 1.00 0.00 C ATOM 959 O ARG A 59 -16.839 -0.715 -3.921 1.00 0.00 O ATOM 960 CB ARG A 59 -14.996 -2.894 -3.667 1.00 0.00 C ATOM 961 CG ARG A 59 -14.901 -3.796 -4.909 1.00 0.00 C ATOM 962 CD ARG A 59 -16.000 -3.566 -5.962 1.00 0.00 C ATOM 963 NE ARG A 59 -16.007 -2.201 -6.514 1.00 0.00 N ATOM 964 CZ ARG A 59 -15.157 -1.692 -7.424 1.00 0.00 C ATOM 965 NH1 ARG A 59 -14.195 -2.440 -7.983 1.00 0.00 N ATOM 966 NH2 ARG A 59 -15.268 -0.403 -7.777 1.00 0.00 N ATOM 0 H ARG A 59 -12.722 -0.726 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 59 -14.025 -1.483 -4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.388 -3.319 -2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.026 -2.881 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.930 -3.642 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.938 -4.837 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.867 -4.278 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.971 -3.773 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.734 -1.574 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.094 -3.421 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.564 -2.029 -8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.991 0.180 -7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.629 -0.006 -8.466 1.00 0.00 H new ATOM 980 N LYS A 60 -15.281 0.822 -4.497 1.00 0.00 N ATOM 981 CA LYS A 60 -16.170 1.957 -4.728 1.00 0.00 C ATOM 982 C LYS A 60 -15.688 2.700 -5.983 1.00 0.00 C ATOM 983 O LYS A 60 -14.794 3.563 -5.842 1.00 0.00 O ATOM 984 CB LYS A 60 -16.189 2.879 -3.492 1.00 0.00 C ATOM 985 CG LYS A 60 -16.917 2.253 -2.292 1.00 0.00 C ATOM 986 CD LYS A 60 -16.956 3.236 -1.113 1.00 0.00 C ATOM 987 CE LYS A 60 -17.771 2.671 0.058 1.00 0.00 C ATOM 988 NZ LYS A 60 -17.798 3.604 1.198 1.00 0.00 N ATOM 989 OXT LYS A 60 -16.221 2.387 -7.070 1.00 0.00 O ATOM 0 H LYS A 60 -14.301 1.056 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 60 -17.193 1.615 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.164 3.116 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.673 3.820 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -17.932 1.979 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.412 1.335 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.940 3.450 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.391 4.181 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.790 2.468 -0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.343 1.720 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.357 3.191 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.827 3.778 1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.229 4.503 0.901 1.00 0.00 H new