USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 443 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 46 MET CE :methyl -173:sc= -2.34 (180deg=-2.86!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 151:sc= -0.842 (180deg=-0.337) USER MOD Set 2.1: A 9 HIS : no HE2:sc= -4.69! C(o=-4.2!,f=-3.6!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -163:sc= 0.48 (180deg=-0.13) USER MOD Single : A 1 LYS N :NH3+ -156:sc= -0.0802 (180deg=-0.827) USER MOD Single : A 1 LYS NZ :NH3+ 153:sc= -0.114 (180deg=-1.21) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.018) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.32) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.0874) USER MOD Single : A 17 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.061) USER MOD Single : A 19 LYS NZ :NH3+ 144:sc= -2.12! (180deg=-3.89!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc=-0.00249 X(o=-0.0025,f=-0.074) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -3.91! C(o=-3.9!,f=-4.7!) USER MOD Single : A 43 THR OG1 : rot 107:sc= 0.493 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -25.063 18.020 25.342 1.00 0.00 N ATOM 2 CA LYS A 1 -24.891 16.664 25.939 1.00 0.00 C ATOM 3 C LYS A 1 -24.299 15.702 24.905 1.00 0.00 C ATOM 4 O LYS A 1 -23.293 15.063 25.142 1.00 0.00 O ATOM 5 CB LYS A 1 -26.301 16.224 26.335 1.00 0.00 C ATOM 6 CG LYS A 1 -26.821 17.126 27.455 1.00 0.00 C ATOM 7 CD LYS A 1 -28.191 16.627 27.917 1.00 0.00 C ATOM 8 CE LYS A 1 -28.728 17.550 29.013 1.00 0.00 C ATOM 9 NZ LYS A 1 -28.926 18.866 28.342 1.00 0.00 N ATOM 0 H1 LYS A 1 -25.066 18.734 26.098 1.00 0.00 H new ATOM 0 H2 LYS A 1 -24.279 18.213 24.687 1.00 0.00 H new ATOM 0 H3 LYS A 1 -25.964 18.060 24.824 1.00 0.00 H new ATOM 0 HA LYS A 1 -24.212 16.671 26.791 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -26.966 16.277 25.473 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -26.290 15.185 26.666 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -26.121 17.126 28.291 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -26.897 18.155 27.103 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -28.884 16.603 27.076 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -28.110 15.607 28.293 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -29.664 17.172 29.425 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -28.024 17.631 29.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -29.675 19.396 28.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -28.040 19.409 28.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -29.202 18.712 27.351 1.00 0.00 H new ATOM 25 N ASN A 2 -24.915 15.595 23.760 1.00 0.00 N ATOM 26 CA ASN A 2 -24.386 14.675 22.712 1.00 0.00 C ATOM 27 C ASN A 2 -23.197 15.319 21.994 1.00 0.00 C ATOM 28 O ASN A 2 -23.112 16.525 21.873 1.00 0.00 O ATOM 29 CB ASN A 2 -25.549 14.469 21.742 1.00 0.00 C ATOM 30 CG ASN A 2 -26.739 13.865 22.492 1.00 0.00 C ATOM 31 OD1 ASN A 2 -27.789 14.470 22.576 1.00 0.00 O ATOM 32 ND2 ASN A 2 -26.617 12.689 23.044 1.00 0.00 N ATOM 0 H ASN A 2 -25.761 16.104 23.504 1.00 0.00 H new ATOM 0 HA ASN A 2 -24.032 13.733 23.131 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -25.834 15.420 21.292 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -25.246 13.810 20.929 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -27.404 12.277 23.546 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -25.735 12.181 22.973 1.00 0.00 H new ATOM 39 N GLU A 3 -22.279 14.524 21.517 1.00 0.00 N ATOM 40 CA GLU A 3 -21.098 15.092 20.806 1.00 0.00 C ATOM 41 C GLU A 3 -21.517 15.632 19.436 1.00 0.00 C ATOM 42 O GLU A 3 -20.730 16.223 18.723 1.00 0.00 O ATOM 43 CB GLU A 3 -20.127 13.921 20.649 1.00 0.00 C ATOM 44 CG GLU A 3 -19.672 13.449 22.031 1.00 0.00 C ATOM 45 CD GLU A 3 -18.627 12.342 21.873 1.00 0.00 C ATOM 46 OE1 GLU A 3 -18.324 11.997 20.743 1.00 0.00 O ATOM 47 OE2 GLU A 3 -18.148 11.858 22.885 1.00 0.00 O ATOM 0 H GLU A 3 -22.295 13.507 21.589 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.648 15.922 21.350 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.610 13.103 20.114 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.265 14.226 20.055 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.251 14.284 22.592 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.525 13.080 22.600 1.00 0.00 H new ATOM 54 N ASP A 4 -22.752 15.434 19.063 1.00 0.00 N ATOM 55 CA ASP A 4 -23.222 15.937 17.740 1.00 0.00 C ATOM 56 C ASP A 4 -23.488 17.443 17.812 1.00 0.00 C ATOM 57 O ASP A 4 -23.908 18.057 16.851 1.00 0.00 O ATOM 58 CB ASP A 4 -24.519 15.176 17.465 1.00 0.00 C ATOM 59 CG ASP A 4 -24.194 13.840 16.794 1.00 0.00 C ATOM 60 OD1 ASP A 4 -23.036 13.625 16.475 1.00 0.00 O ATOM 61 OD2 ASP A 4 -25.109 13.054 16.609 1.00 0.00 O ATOM 0 H ASP A 4 -23.456 14.946 19.617 1.00 0.00 H new ATOM 0 HA ASP A 4 -22.484 15.782 16.953 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -25.058 15.005 18.397 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -25.172 15.768 16.823 1.00 0.00 H new ATOM 66 N GLN A 5 -23.245 18.043 18.945 1.00 0.00 N ATOM 67 CA GLN A 5 -23.482 19.509 19.081 1.00 0.00 C ATOM 68 C GLN A 5 -22.189 20.208 19.502 1.00 0.00 C ATOM 69 O GLN A 5 -21.948 21.350 19.165 1.00 0.00 O ATOM 70 CB GLN A 5 -24.545 19.639 20.173 1.00 0.00 C ATOM 71 CG GLN A 5 -25.742 18.749 19.832 1.00 0.00 C ATOM 72 CD GLN A 5 -26.708 19.517 18.927 1.00 0.00 C ATOM 73 OE1 GLN A 5 -27.019 19.075 17.839 1.00 0.00 O ATOM 74 NE2 GLN A 5 -27.198 20.655 19.334 1.00 0.00 N ATOM 0 H GLN A 5 -22.892 17.581 19.783 1.00 0.00 H new ATOM 0 HA GLN A 5 -23.804 19.968 18.146 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.127 19.350 21.138 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.865 20.677 20.262 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -25.403 17.841 19.333 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -26.251 18.440 20.745 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -26.936 21.025 20.248 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -27.843 21.175 18.739 1.00 0.00 H new ATOM 83 N GLU A 6 -21.353 19.524 20.232 1.00 0.00 N ATOM 84 CA GLU A 6 -20.070 20.137 20.677 1.00 0.00 C ATOM 85 C GLU A 6 -18.928 19.132 20.506 1.00 0.00 C ATOM 86 O GLU A 6 -18.199 18.842 21.433 1.00 0.00 O ATOM 87 CB GLU A 6 -20.279 20.469 22.154 1.00 0.00 C ATOM 88 CG GLU A 6 -21.330 21.573 22.288 1.00 0.00 C ATOM 89 CD GLU A 6 -21.258 22.175 23.692 1.00 0.00 C ATOM 90 OE1 GLU A 6 -20.589 21.595 24.531 1.00 0.00 O ATOM 91 OE2 GLU A 6 -21.874 23.207 23.905 1.00 0.00 O ATOM 0 H GLU A 6 -21.503 18.564 20.541 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.808 21.023 20.098 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.601 19.579 22.695 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.339 20.792 22.601 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -21.158 22.347 21.539 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.325 21.167 22.105 1.00 0.00 H new ATOM 98 N MET A 7 -18.773 18.595 19.326 1.00 0.00 N ATOM 99 CA MET A 7 -17.685 17.603 19.090 1.00 0.00 C ATOM 100 C MET A 7 -16.396 18.048 19.786 1.00 0.00 C ATOM 101 O MET A 7 -15.677 17.248 20.351 1.00 0.00 O ATOM 102 CB MET A 7 -17.493 17.579 17.573 1.00 0.00 C ATOM 103 CG MET A 7 -18.612 16.757 16.931 1.00 0.00 C ATOM 104 SD MET A 7 -18.513 15.045 17.512 1.00 0.00 S ATOM 105 CE MET A 7 -17.374 14.441 16.242 1.00 0.00 C ATOM 0 H MET A 7 -19.354 18.801 18.514 1.00 0.00 H new ATOM 0 HA MET A 7 -17.934 16.619 19.487 1.00 0.00 H new ATOM 0 HB2 MET A 7 -17.501 18.595 17.178 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.523 17.149 17.325 1.00 0.00 H new ATOM 0 HG2 MET A 7 -19.583 17.183 17.185 1.00 0.00 H new ATOM 0 HG3 MET A 7 -18.524 16.789 15.845 1.00 0.00 H new ATOM 0 HE1 MET A 7 -17.170 13.384 16.410 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.824 14.572 15.258 1.00 0.00 H new ATOM 0 HE3 MET A 7 -16.441 15.003 16.293 1.00 0.00 H new ATOM 115 N CYS A 8 -16.099 19.317 19.750 1.00 0.00 N ATOM 116 CA CYS A 8 -14.856 19.810 20.411 1.00 0.00 C ATOM 117 C CYS A 8 -15.153 20.228 21.853 1.00 0.00 C ATOM 118 O CYS A 8 -15.715 21.277 22.103 1.00 0.00 O ATOM 119 CB CYS A 8 -14.417 21.015 19.579 1.00 0.00 C ATOM 120 SG CYS A 8 -13.768 20.444 17.988 1.00 0.00 S ATOM 0 H CYS A 8 -16.662 20.034 19.292 1.00 0.00 H new ATOM 0 HA CYS A 8 -14.081 19.045 20.458 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.260 21.687 19.420 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.654 21.581 20.113 1.00 0.00 H new ATOM 125 N HIS A 9 -14.781 19.416 22.805 1.00 0.00 N ATOM 126 CA HIS A 9 -15.043 19.765 24.231 1.00 0.00 C ATOM 127 C HIS A 9 -13.766 20.294 24.890 1.00 0.00 C ATOM 128 O HIS A 9 -13.770 21.320 25.539 1.00 0.00 O ATOM 129 CB HIS A 9 -15.479 18.455 24.886 1.00 0.00 C ATOM 130 CG HIS A 9 -16.745 17.967 24.239 1.00 0.00 C ATOM 131 ND1 HIS A 9 -17.966 18.592 24.440 1.00 0.00 N ATOM 132 CD2 HIS A 9 -16.997 16.915 23.394 1.00 0.00 C ATOM 133 CE1 HIS A 9 -18.889 17.916 23.732 1.00 0.00 C ATOM 134 NE2 HIS A 9 -18.352 16.884 23.075 1.00 0.00 N ATOM 0 H HIS A 9 -14.307 18.525 22.657 1.00 0.00 H new ATOM 0 HA HIS A 9 -15.799 20.544 24.333 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -14.694 17.706 24.783 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -15.638 18.606 25.954 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -18.134 19.415 25.019 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -16.257 16.217 23.032 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -19.937 18.176 23.699 1.00 0.00 H new ATOM 142 N GLU A 10 -12.673 19.599 24.729 1.00 0.00 N ATOM 143 CA GLU A 10 -11.398 20.060 25.347 1.00 0.00 C ATOM 144 C GLU A 10 -10.667 21.017 24.402 1.00 0.00 C ATOM 145 O GLU A 10 -10.061 21.981 24.827 1.00 0.00 O ATOM 146 CB GLU A 10 -10.579 18.787 25.563 1.00 0.00 C ATOM 147 CG GLU A 10 -11.007 18.124 26.874 1.00 0.00 C ATOM 148 CD GLU A 10 -10.046 16.979 27.203 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.361 16.529 26.300 1.00 0.00 O ATOM 150 OE2 GLU A 10 -10.013 16.572 28.353 1.00 0.00 O ATOM 0 H GLU A 10 -12.608 18.732 24.196 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.563 20.601 26.279 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.727 18.100 24.730 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.516 19.026 25.594 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.007 18.856 27.681 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.025 17.745 26.787 1.00 0.00 H new ATOM 157 N PHE A 11 -10.719 20.761 23.124 1.00 0.00 N ATOM 158 CA PHE A 11 -10.027 21.660 22.157 1.00 0.00 C ATOM 159 C PHE A 11 -10.736 23.012 22.094 1.00 0.00 C ATOM 160 O PHE A 11 -10.141 24.018 21.769 1.00 0.00 O ATOM 161 CB PHE A 11 -10.127 20.955 20.810 1.00 0.00 C ATOM 162 CG PHE A 11 -9.136 19.817 20.756 1.00 0.00 C ATOM 163 CD1 PHE A 11 -7.827 20.054 20.320 1.00 0.00 C ATOM 164 CD2 PHE A 11 -9.525 18.526 21.135 1.00 0.00 C ATOM 165 CE1 PHE A 11 -6.907 19.001 20.263 1.00 0.00 C ATOM 166 CE2 PHE A 11 -8.604 17.474 21.079 1.00 0.00 C ATOM 167 CZ PHE A 11 -7.297 17.712 20.642 1.00 0.00 C ATOM 0 H PHE A 11 -11.210 19.970 22.708 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.993 21.848 22.445 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -11.138 20.577 20.661 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.929 21.661 20.004 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.527 21.049 20.028 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.535 18.343 21.470 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.897 19.183 19.927 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.902 16.479 21.373 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.587 16.899 20.597 1.00 0.00 H new ATOM 177 N GLN A 12 -12.003 23.048 22.402 1.00 0.00 N ATOM 178 CA GLN A 12 -12.732 24.345 22.359 1.00 0.00 C ATOM 179 C GLN A 12 -11.897 25.414 23.059 1.00 0.00 C ATOM 180 O GLN A 12 -11.728 26.509 22.563 1.00 0.00 O ATOM 181 CB GLN A 12 -14.038 24.098 23.113 1.00 0.00 C ATOM 182 CG GLN A 12 -14.852 25.393 23.158 1.00 0.00 C ATOM 183 CD GLN A 12 -15.912 25.291 24.256 1.00 0.00 C ATOM 184 OE1 GLN A 12 -15.607 24.948 25.381 1.00 0.00 O ATOM 185 NE2 GLN A 12 -17.154 25.576 23.975 1.00 0.00 N ATOM 0 H GLN A 12 -12.561 22.241 22.680 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.921 24.690 21.342 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.611 23.312 22.621 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.827 23.753 24.125 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.195 26.242 23.350 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.328 25.570 22.193 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.410 25.864 23.031 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.869 25.511 24.700 1.00 0.00 H new ATOM 194 N ALA A 13 -11.362 25.100 24.205 1.00 0.00 N ATOM 195 CA ALA A 13 -10.526 26.095 24.930 1.00 0.00 C ATOM 196 C ALA A 13 -9.345 26.515 24.053 1.00 0.00 C ATOM 197 O ALA A 13 -8.728 27.538 24.273 1.00 0.00 O ATOM 198 CB ALA A 13 -10.035 25.367 26.182 1.00 0.00 C ATOM 0 H ALA A 13 -11.467 24.198 24.670 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.079 27.000 25.181 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.409 26.038 26.771 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.891 25.052 26.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.454 24.492 25.890 1.00 0.00 H new ATOM 204 N PHE A 14 -9.025 25.731 23.057 1.00 0.00 N ATOM 205 CA PHE A 14 -7.886 26.088 22.168 1.00 0.00 C ATOM 206 C PHE A 14 -8.360 26.994 21.028 1.00 0.00 C ATOM 207 O PHE A 14 -7.650 27.219 20.068 1.00 0.00 O ATOM 208 CB PHE A 14 -7.387 24.754 21.613 1.00 0.00 C ATOM 209 CG PHE A 14 -6.959 23.844 22.744 1.00 0.00 C ATOM 210 CD1 PHE A 14 -6.759 24.357 24.033 1.00 0.00 C ATOM 211 CD2 PHE A 14 -6.760 22.480 22.497 1.00 0.00 C ATOM 212 CE1 PHE A 14 -6.362 23.506 25.071 1.00 0.00 C ATOM 213 CE2 PHE A 14 -6.363 21.630 23.535 1.00 0.00 C ATOM 214 CZ PHE A 14 -6.163 22.143 24.822 1.00 0.00 C ATOM 0 H PHE A 14 -9.503 24.861 22.823 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.105 26.631 22.700 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.175 24.276 21.031 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.549 24.924 20.936 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.911 25.409 24.225 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.913 22.084 21.504 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.209 23.901 26.064 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.211 20.578 23.343 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.855 21.487 25.623 1.00 0.00 H new ATOM 224 N MET A 15 -9.557 27.509 21.116 1.00 0.00 N ATOM 225 CA MET A 15 -10.067 28.389 20.031 1.00 0.00 C ATOM 226 C MET A 15 -9.906 29.864 20.412 1.00 0.00 C ATOM 227 O MET A 15 -10.478 30.335 21.375 1.00 0.00 O ATOM 228 CB MET A 15 -11.545 28.022 19.897 1.00 0.00 C ATOM 229 CG MET A 15 -12.329 28.589 21.083 1.00 0.00 C ATOM 230 SD MET A 15 -13.866 27.656 21.291 1.00 0.00 S ATOM 231 CE MET A 15 -14.785 28.931 22.188 1.00 0.00 C ATOM 0 H MET A 15 -10.201 27.357 21.892 1.00 0.00 H new ATOM 0 HA MET A 15 -9.523 28.251 19.097 1.00 0.00 H new ATOM 0 HB2 MET A 15 -11.944 28.417 18.963 1.00 0.00 H new ATOM 0 HB3 MET A 15 -11.658 26.939 19.859 1.00 0.00 H new ATOM 0 HG2 MET A 15 -11.729 28.530 21.991 1.00 0.00 H new ATOM 0 HG3 MET A 15 -12.551 29.643 20.916 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.783 28.562 22.423 1.00 0.00 H new ATOM 0 HE2 MET A 15 -14.261 29.175 23.112 1.00 0.00 H new ATOM 0 HE3 MET A 15 -14.865 29.825 21.570 1.00 0.00 H new ATOM 241 N LYS A 16 -9.134 30.599 19.658 1.00 0.00 N ATOM 242 CA LYS A 16 -8.941 32.043 19.968 1.00 0.00 C ATOM 243 C LYS A 16 -9.852 32.892 19.078 1.00 0.00 C ATOM 244 O LYS A 16 -9.454 33.353 18.027 1.00 0.00 O ATOM 245 CB LYS A 16 -7.471 32.326 19.658 1.00 0.00 C ATOM 246 CG LYS A 16 -7.198 33.825 19.804 1.00 0.00 C ATOM 247 CD LYS A 16 -7.570 34.276 21.218 1.00 0.00 C ATOM 248 CE LYS A 16 -7.144 35.733 21.417 1.00 0.00 C ATOM 249 NZ LYS A 16 -5.699 35.662 21.774 1.00 0.00 N ATOM 0 H LYS A 16 -8.628 30.260 18.840 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.188 32.282 21.002 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.830 31.761 20.335 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.232 31.999 18.646 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.146 34.035 19.609 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.776 34.384 19.068 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.644 34.176 21.373 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.081 33.639 21.955 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.299 36.318 20.510 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.724 36.210 22.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.567 35.988 22.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.368 34.680 21.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.152 36.269 21.130 1.00 0.00 H new ATOM 263 N ASN A 17 -11.072 33.096 19.493 1.00 0.00 N ATOM 264 CA ASN A 17 -12.017 33.911 18.678 1.00 0.00 C ATOM 265 C ASN A 17 -12.209 33.288 17.293 1.00 0.00 C ATOM 266 O ASN A 17 -12.073 33.946 16.281 1.00 0.00 O ATOM 267 CB ASN A 17 -11.363 35.288 18.566 1.00 0.00 C ATOM 268 CG ASN A 17 -11.107 35.847 19.967 1.00 0.00 C ATOM 269 OD1 ASN A 17 -11.991 35.859 20.800 1.00 0.00 O ATOM 270 ND2 ASN A 17 -9.924 36.312 20.262 1.00 0.00 N ATOM 0 H ASN A 17 -11.457 32.732 20.365 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.006 33.967 19.133 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.425 35.213 18.016 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -12.008 35.964 18.005 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.741 36.686 21.193 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.183 36.301 19.562 1.00 0.00 H new ATOM 277 N GLY A 18 -12.537 32.026 17.242 1.00 0.00 N ATOM 278 CA GLY A 18 -12.752 31.363 15.923 1.00 0.00 C ATOM 279 C GLY A 18 -11.446 30.733 15.430 1.00 0.00 C ATOM 280 O GLY A 18 -11.429 30.009 14.455 1.00 0.00 O ATOM 0 H GLY A 18 -12.666 31.425 18.056 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.522 30.597 16.014 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.111 32.091 15.196 1.00 0.00 H new ATOM 284 N LYS A 19 -10.353 31.000 16.090 1.00 0.00 N ATOM 285 CA LYS A 19 -9.057 30.410 15.644 1.00 0.00 C ATOM 286 C LYS A 19 -8.708 29.185 16.493 1.00 0.00 C ATOM 287 O LYS A 19 -8.412 29.294 17.665 1.00 0.00 O ATOM 288 CB LYS A 19 -8.022 31.515 15.852 1.00 0.00 C ATOM 289 CG LYS A 19 -6.707 31.111 15.181 1.00 0.00 C ATOM 290 CD LYS A 19 -5.844 30.331 16.176 1.00 0.00 C ATOM 291 CE LYS A 19 -4.960 31.307 16.956 1.00 0.00 C ATOM 292 NZ LYS A 19 -3.693 30.563 17.203 1.00 0.00 N ATOM 0 H LYS A 19 -10.300 31.598 16.915 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.095 30.077 14.607 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.385 32.453 15.431 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.863 31.684 16.917 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.908 30.500 14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.174 31.998 14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.478 29.769 16.862 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.225 29.606 15.647 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.778 32.218 16.386 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.432 31.606 17.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.888 31.220 17.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.723 30.130 18.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.582 29.819 16.485 1.00 0.00 H new ATOM 306 N LEU A 20 -8.738 28.019 15.910 1.00 0.00 N ATOM 307 CA LEU A 20 -8.404 26.792 16.688 1.00 0.00 C ATOM 308 C LEU A 20 -6.931 26.425 16.487 1.00 0.00 C ATOM 309 O LEU A 20 -6.549 25.891 15.465 1.00 0.00 O ATOM 310 CB LEU A 20 -9.312 25.702 16.117 1.00 0.00 C ATOM 311 CG LEU A 20 -9.531 24.616 17.172 1.00 0.00 C ATOM 312 CD1 LEU A 20 -10.198 23.401 16.523 1.00 0.00 C ATOM 313 CD2 LEU A 20 -8.183 24.202 17.766 1.00 0.00 C ATOM 0 H LEU A 20 -8.979 27.862 14.931 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.554 26.927 17.759 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.268 26.131 15.817 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.862 25.270 15.223 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.173 25.003 17.964 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.354 22.627 17.274 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.159 23.696 16.101 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.557 23.014 15.731 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.339 23.428 18.518 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.540 23.815 16.975 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.708 25.067 18.229 1.00 0.00 H new ATOM 325 N PHE A 21 -6.101 26.703 17.456 1.00 0.00 N ATOM 326 CA PHE A 21 -4.654 26.358 17.312 1.00 0.00 C ATOM 327 C PHE A 21 -4.393 24.954 17.862 1.00 0.00 C ATOM 328 O PHE A 21 -3.694 24.772 18.838 1.00 0.00 O ATOM 329 CB PHE A 21 -3.871 27.415 18.109 1.00 0.00 C ATOM 330 CG PHE A 21 -4.560 27.724 19.419 1.00 0.00 C ATOM 331 CD1 PHE A 21 -4.336 26.916 20.541 1.00 0.00 C ATOM 332 CD2 PHE A 21 -5.420 28.826 19.512 1.00 0.00 C ATOM 333 CE1 PHE A 21 -4.972 27.210 21.753 1.00 0.00 C ATOM 334 CE2 PHE A 21 -6.054 29.119 20.724 1.00 0.00 C ATOM 335 CZ PHE A 21 -5.831 28.311 21.844 1.00 0.00 C ATOM 0 H PHE A 21 -6.358 27.151 18.336 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.344 26.357 16.267 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.860 27.056 18.301 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.778 28.326 17.518 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.673 26.066 20.471 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.594 29.450 18.648 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.800 26.587 22.618 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.716 29.969 20.795 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.322 28.537 22.779 1.00 0.00 H new ATOM 345 N CYS A 22 -4.955 23.959 17.232 1.00 0.00 N ATOM 346 CA CYS A 22 -4.752 22.557 17.702 1.00 0.00 C ATOM 347 C CYS A 22 -3.259 22.238 17.895 1.00 0.00 C ATOM 348 O CYS A 22 -2.886 21.674 18.904 1.00 0.00 O ATOM 349 CB CYS A 22 -5.352 21.675 16.606 1.00 0.00 C ATOM 350 SG CYS A 22 -6.203 20.268 17.363 1.00 0.00 S ATOM 0 H CYS A 22 -5.549 24.056 16.408 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.224 22.391 18.670 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.050 22.253 16.000 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.567 21.322 15.938 1.00 0.00 H new ATOM 355 N PRO A 23 -2.445 22.592 16.926 1.00 0.00 N ATOM 356 CA PRO A 23 -0.992 22.310 17.024 1.00 0.00 C ATOM 357 C PRO A 23 -0.369 23.077 18.194 1.00 0.00 C ATOM 358 O PRO A 23 0.178 24.150 18.028 1.00 0.00 O ATOM 359 CB PRO A 23 -0.458 22.813 15.680 1.00 0.00 C ATOM 360 CG PRO A 23 -1.636 23.363 14.854 1.00 0.00 C ATOM 361 CD PRO A 23 -2.914 23.283 15.699 1.00 0.00 C ATOM 0 HA PRO A 23 -0.761 21.261 17.209 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.289 23.591 15.838 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.035 22.003 15.142 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.442 24.395 14.561 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.754 22.787 13.936 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.318 24.271 15.919 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.701 22.723 15.193 1.00 0.00 H new ATOM 369 N GLN A 24 -0.446 22.530 19.377 1.00 0.00 N ATOM 370 CA GLN A 24 0.142 23.219 20.562 1.00 0.00 C ATOM 371 C GLN A 24 1.188 22.320 21.227 1.00 0.00 C ATOM 372 O GLN A 24 2.371 22.435 20.974 1.00 0.00 O ATOM 373 CB GLN A 24 -1.037 23.459 21.506 1.00 0.00 C ATOM 374 CG GLN A 24 -0.516 23.907 22.874 1.00 0.00 C ATOM 375 CD GLN A 24 -1.689 24.043 23.846 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.113 25.139 24.156 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.235 22.968 24.344 1.00 0.00 N ATOM 0 H GLN A 24 -0.892 21.634 19.574 1.00 0.00 H new ATOM 0 HA GLN A 24 0.644 24.149 20.294 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.699 24.219 21.091 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.624 22.547 21.610 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.204 23.183 23.256 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.007 24.859 22.782 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.879 22.048 24.084 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.018 23.047 24.993 1.00 0.00 H new ATOM 386 N ASP A 25 0.760 21.426 22.074 1.00 0.00 N ATOM 387 CA ASP A 25 1.726 20.519 22.756 1.00 0.00 C ATOM 388 C ASP A 25 1.308 19.060 22.552 1.00 0.00 C ATOM 389 O ASP A 25 0.862 18.399 23.467 1.00 0.00 O ATOM 390 CB ASP A 25 1.646 20.900 24.234 1.00 0.00 C ATOM 391 CG ASP A 25 2.986 20.602 24.910 1.00 0.00 C ATOM 392 OD1 ASP A 25 3.758 19.847 24.343 1.00 0.00 O ATOM 393 OD2 ASP A 25 3.217 21.135 25.983 1.00 0.00 O ATOM 0 H ASP A 25 -0.219 21.284 22.324 1.00 0.00 H new ATOM 0 HA ASP A 25 2.739 20.618 22.365 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.402 21.958 24.335 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.848 20.341 24.722 1.00 0.00 H new ATOM 398 N LYS A 26 1.447 18.554 21.358 1.00 0.00 N ATOM 399 CA LYS A 26 1.053 17.140 21.094 1.00 0.00 C ATOM 400 C LYS A 26 1.942 16.172 21.882 1.00 0.00 C ATOM 401 O LYS A 26 1.703 14.981 21.905 1.00 0.00 O ATOM 402 CB LYS A 26 1.250 16.948 19.590 1.00 0.00 C ATOM 403 CG LYS A 26 -0.051 17.287 18.859 1.00 0.00 C ATOM 404 CD LYS A 26 0.142 17.082 17.356 1.00 0.00 C ATOM 405 CE LYS A 26 -0.983 17.787 16.595 1.00 0.00 C ATOM 406 NZ LYS A 26 -0.734 17.463 15.162 1.00 0.00 N ATOM 0 H LYS A 26 1.817 19.059 20.552 1.00 0.00 H new ATOM 0 HA LYS A 26 0.027 16.939 21.402 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.058 17.587 19.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.541 15.919 19.379 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.861 16.654 19.222 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.337 18.319 19.063 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.109 17.478 17.046 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.143 16.018 17.121 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.962 17.431 16.917 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.963 18.863 16.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.465 17.911 14.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.202 17.820 14.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.766 16.432 15.029 1.00 0.00 H new ATOM 420 N LYS A 27 2.964 16.669 22.529 1.00 0.00 N ATOM 421 CA LYS A 27 3.859 15.772 23.316 1.00 0.00 C ATOM 422 C LYS A 27 3.028 14.740 24.082 1.00 0.00 C ATOM 423 O LYS A 27 3.484 13.652 24.372 1.00 0.00 O ATOM 424 CB LYS A 27 4.594 16.699 24.283 1.00 0.00 C ATOM 425 CG LYS A 27 5.747 17.389 23.552 1.00 0.00 C ATOM 426 CD LYS A 27 6.404 18.410 24.483 1.00 0.00 C ATOM 427 CE LYS A 27 7.356 19.298 23.677 1.00 0.00 C ATOM 428 NZ LYS A 27 7.881 20.287 24.661 1.00 0.00 N ATOM 0 H LYS A 27 3.217 17.657 22.546 1.00 0.00 H new ATOM 0 HA LYS A 27 4.550 15.215 22.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.906 17.444 24.683 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.976 16.129 25.130 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.481 16.650 23.229 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.378 17.885 22.654 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.641 19.021 24.966 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.951 17.897 25.275 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.163 18.713 23.235 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.836 19.794 22.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.542 20.933 24.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.091 20.833 25.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.377 19.786 25.426 1.00 0.00 H new ATOM 442 N PHE A 28 1.808 15.071 24.406 1.00 0.00 N ATOM 443 CA PHE A 28 0.947 14.107 25.145 1.00 0.00 C ATOM 444 C PHE A 28 0.900 12.772 24.397 1.00 0.00 C ATOM 445 O PHE A 28 0.569 11.745 24.956 1.00 0.00 O ATOM 446 CB PHE A 28 -0.436 14.758 25.175 1.00 0.00 C ATOM 447 CG PHE A 28 -0.318 16.171 25.696 1.00 0.00 C ATOM 448 CD1 PHE A 28 0.335 16.417 26.910 1.00 0.00 C ATOM 449 CD2 PHE A 28 -0.863 17.234 24.968 1.00 0.00 C ATOM 450 CE1 PHE A 28 0.443 17.726 27.394 1.00 0.00 C ATOM 451 CE2 PHE A 28 -0.756 18.543 25.451 1.00 0.00 C ATOM 452 CZ PHE A 28 -0.102 18.790 26.664 1.00 0.00 C ATOM 0 H PHE A 28 1.371 15.967 24.191 1.00 0.00 H new ATOM 0 HA PHE A 28 1.318 13.898 26.148 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.869 14.763 24.175 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.108 14.180 25.810 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.755 15.597 27.473 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.367 17.044 24.032 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.947 17.916 28.330 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.178 19.363 24.888 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.018 19.800 27.037 1.00 0.00 H new ATOM 462 N PHE A 29 1.234 12.781 23.134 1.00 0.00 N ATOM 463 CA PHE A 29 1.215 11.515 22.345 1.00 0.00 C ATOM 464 C PHE A 29 1.911 10.399 23.126 1.00 0.00 C ATOM 465 O PHE A 29 1.660 9.229 22.916 1.00 0.00 O ATOM 466 CB PHE A 29 1.992 11.837 21.068 1.00 0.00 C ATOM 467 CG PHE A 29 1.901 10.671 20.114 1.00 0.00 C ATOM 468 CD1 PHE A 29 2.643 9.509 20.357 1.00 0.00 C ATOM 469 CD2 PHE A 29 1.077 10.752 18.986 1.00 0.00 C ATOM 470 CE1 PHE A 29 2.559 8.427 19.472 1.00 0.00 C ATOM 471 CE2 PHE A 29 0.993 9.671 18.100 1.00 0.00 C ATOM 472 CZ PHE A 29 1.735 8.508 18.343 1.00 0.00 C ATOM 0 H PHE A 29 1.519 13.611 22.614 1.00 0.00 H new ATOM 0 HA PHE A 29 0.202 11.173 22.133 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.588 12.735 20.601 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.035 12.044 21.307 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.280 9.447 21.227 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.505 11.649 18.799 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.130 7.530 19.660 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.356 9.734 17.230 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.671 7.674 17.660 1.00 0.00 H new ATOM 482 N GLN A 30 2.787 10.755 24.024 1.00 0.00 N ATOM 483 CA GLN A 30 3.507 9.722 24.820 1.00 0.00 C ATOM 484 C GLN A 30 2.543 9.017 25.779 1.00 0.00 C ATOM 485 O GLN A 30 2.906 8.076 26.457 1.00 0.00 O ATOM 486 CB GLN A 30 4.566 10.502 25.597 1.00 0.00 C ATOM 487 CG GLN A 30 5.639 11.001 24.629 1.00 0.00 C ATOM 488 CD GLN A 30 7.005 10.464 25.058 1.00 0.00 C ATOM 489 OE1 GLN A 30 7.397 10.610 26.199 1.00 0.00 O ATOM 490 NE2 GLN A 30 7.752 9.844 24.186 1.00 0.00 N ATOM 0 H GLN A 30 3.036 11.720 24.242 1.00 0.00 H new ATOM 0 HA GLN A 30 3.945 8.945 24.193 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.107 11.344 26.114 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.016 9.866 26.360 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.410 10.673 23.615 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.653 12.091 24.616 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.423 9.721 23.228 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.665 9.482 24.462 1.00 0.00 H new ATOM 499 N SER A 31 1.317 9.461 25.842 1.00 0.00 N ATOM 500 CA SER A 31 0.335 8.810 26.759 1.00 0.00 C ATOM 501 C SER A 31 -0.957 8.483 26.005 1.00 0.00 C ATOM 502 O SER A 31 -1.196 8.976 24.921 1.00 0.00 O ATOM 503 CB SER A 31 0.070 9.844 27.853 1.00 0.00 C ATOM 504 OG SER A 31 1.269 10.089 28.574 1.00 0.00 O ATOM 0 H SER A 31 0.952 10.244 25.300 1.00 0.00 H new ATOM 0 HA SER A 31 0.710 7.871 27.167 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.297 10.770 27.411 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.706 9.484 28.528 1.00 0.00 H new ATOM 0 HG SER A 31 1.100 10.753 29.274 1.00 0.00 H new ATOM 510 N LEU A 32 -1.793 7.655 26.572 1.00 0.00 N ATOM 511 CA LEU A 32 -3.069 7.300 25.885 1.00 0.00 C ATOM 512 C LEU A 32 -3.958 8.536 25.754 1.00 0.00 C ATOM 513 O LEU A 32 -4.441 8.856 24.687 1.00 0.00 O ATOM 514 CB LEU A 32 -3.732 6.259 26.784 1.00 0.00 C ATOM 515 CG LEU A 32 -4.674 5.390 25.948 1.00 0.00 C ATOM 516 CD1 LEU A 32 -5.033 4.125 26.730 1.00 0.00 C ATOM 517 CD2 LEU A 32 -5.950 6.176 25.637 1.00 0.00 C ATOM 0 H LEU A 32 -1.648 7.210 27.478 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.901 6.918 24.878 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.973 5.638 27.260 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.287 6.752 27.582 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.180 5.112 25.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.704 3.507 26.134 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.125 3.565 26.952 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.526 4.401 27.662 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.622 5.558 25.041 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.443 6.454 26.569 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.695 7.077 25.079 1.00 0.00 H new ATOM 529 N ASP A 33 -4.170 9.236 26.831 1.00 0.00 N ATOM 530 CA ASP A 33 -5.020 10.456 26.766 1.00 0.00 C ATOM 531 C ASP A 33 -4.463 11.397 25.702 1.00 0.00 C ATOM 532 O ASP A 33 -5.195 12.007 24.948 1.00 0.00 O ATOM 533 CB ASP A 33 -4.926 11.089 28.154 1.00 0.00 C ATOM 534 CG ASP A 33 -5.533 10.139 29.189 1.00 0.00 C ATOM 535 OD1 ASP A 33 -6.196 9.199 28.783 1.00 0.00 O ATOM 536 OD2 ASP A 33 -5.324 10.368 30.369 1.00 0.00 O ATOM 0 H ASP A 33 -3.792 9.017 27.753 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.055 10.237 26.502 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.885 11.296 28.401 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.453 12.043 28.167 1.00 0.00 H new ATOM 541 N GLY A 34 -3.166 11.501 25.625 1.00 0.00 N ATOM 542 CA GLY A 34 -2.554 12.382 24.596 1.00 0.00 C ATOM 543 C GLY A 34 -2.798 11.757 23.226 1.00 0.00 C ATOM 544 O GLY A 34 -3.253 12.403 22.304 1.00 0.00 O ATOM 0 H GLY A 34 -2.505 11.014 26.230 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.991 13.380 24.642 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.485 12.493 24.778 1.00 0.00 H new ATOM 548 N ILE A 35 -2.516 10.494 23.092 1.00 0.00 N ATOM 549 CA ILE A 35 -2.750 9.819 21.787 1.00 0.00 C ATOM 550 C ILE A 35 -4.208 10.022 21.375 1.00 0.00 C ATOM 551 O ILE A 35 -4.521 10.175 20.212 1.00 0.00 O ATOM 552 CB ILE A 35 -2.445 8.338 22.043 1.00 0.00 C ATOM 553 CG1 ILE A 35 -0.943 8.101 21.888 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.198 7.464 21.036 1.00 0.00 C ATOM 555 CD1 ILE A 35 -0.540 8.351 20.434 1.00 0.00 C ATOM 0 H ILE A 35 -2.134 9.900 23.828 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.129 10.213 20.982 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.763 8.077 23.052 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.388 8.765 22.551 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.692 7.080 22.177 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.974 6.414 21.227 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.270 7.631 21.139 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.886 7.723 20.024 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.531 8.183 20.319 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.086 7.669 19.783 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.777 9.380 20.162 1.00 0.00 H new ATOM 567 N MET A 36 -5.099 10.034 22.326 1.00 0.00 N ATOM 568 CA MET A 36 -6.537 10.237 21.991 1.00 0.00 C ATOM 569 C MET A 36 -6.787 11.700 21.625 1.00 0.00 C ATOM 570 O MET A 36 -7.127 12.017 20.503 1.00 0.00 O ATOM 571 CB MET A 36 -7.304 9.875 23.258 1.00 0.00 C ATOM 572 CG MET A 36 -7.692 8.395 23.217 1.00 0.00 C ATOM 573 SD MET A 36 -8.755 8.088 21.784 1.00 0.00 S ATOM 574 CE MET A 36 -10.336 8.417 22.600 1.00 0.00 C ATOM 0 H MET A 36 -4.896 9.913 23.318 1.00 0.00 H new ATOM 0 HA MET A 36 -6.848 9.630 21.141 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.691 10.077 24.137 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.197 10.494 23.344 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.797 7.775 23.159 1.00 0.00 H new ATOM 0 HG3 MET A 36 -8.212 8.119 24.134 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.149 8.284 21.886 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.467 7.725 23.432 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.346 9.441 22.975 1.00 0.00 H new ATOM 584 N PHE A 37 -6.620 12.598 22.559 1.00 0.00 N ATOM 585 CA PHE A 37 -6.849 14.033 22.241 1.00 0.00 C ATOM 586 C PHE A 37 -6.156 14.363 20.911 1.00 0.00 C ATOM 587 O PHE A 37 -6.758 14.909 20.007 1.00 0.00 O ATOM 588 CB PHE A 37 -6.261 14.810 23.440 1.00 0.00 C ATOM 589 CG PHE A 37 -5.178 15.769 22.998 1.00 0.00 C ATOM 590 CD1 PHE A 37 -3.859 15.323 22.870 1.00 0.00 C ATOM 591 CD2 PHE A 37 -5.498 17.099 22.709 1.00 0.00 C ATOM 592 CE1 PHE A 37 -2.860 16.206 22.452 1.00 0.00 C ATOM 593 CE2 PHE A 37 -4.498 17.982 22.287 1.00 0.00 C ATOM 594 CZ PHE A 37 -3.179 17.534 22.159 1.00 0.00 C ATOM 0 H PHE A 37 -6.338 12.401 23.519 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.899 14.296 22.109 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.055 15.362 23.943 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.853 14.107 24.166 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.612 14.296 23.094 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.516 17.444 22.811 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.841 15.862 22.355 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.744 19.009 22.060 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.407 18.215 21.833 1.00 0.00 H new ATOM 604 N ILE A 38 -4.904 14.015 20.775 1.00 0.00 N ATOM 605 CA ILE A 38 -4.195 14.291 19.496 1.00 0.00 C ATOM 606 C ILE A 38 -5.021 13.752 18.329 1.00 0.00 C ATOM 607 O ILE A 38 -5.126 14.372 17.289 1.00 0.00 O ATOM 608 CB ILE A 38 -2.863 13.547 19.602 1.00 0.00 C ATOM 609 CG1 ILE A 38 -1.946 14.281 20.583 1.00 0.00 C ATOM 610 CG2 ILE A 38 -2.201 13.493 18.224 1.00 0.00 C ATOM 611 CD1 ILE A 38 -0.519 13.746 20.451 1.00 0.00 C ATOM 0 H ILE A 38 -4.345 13.553 21.493 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.043 15.357 19.324 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.038 12.533 19.961 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.964 15.352 20.381 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.304 14.143 21.603 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.251 12.963 18.297 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.855 12.970 17.526 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.024 14.507 17.865 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.132 14.270 21.150 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.508 12.679 20.675 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.163 13.907 19.433 1.00 0.00 H new ATOM 623 N ASN A 39 -5.621 12.606 18.499 1.00 0.00 N ATOM 624 CA ASN A 39 -6.455 12.036 17.403 1.00 0.00 C ATOM 625 C ASN A 39 -7.686 12.917 17.197 1.00 0.00 C ATOM 626 O ASN A 39 -8.146 13.118 16.090 1.00 0.00 O ATOM 627 CB ASN A 39 -6.862 10.643 17.884 1.00 0.00 C ATOM 628 CG ASN A 39 -5.635 9.730 17.910 1.00 0.00 C ATOM 629 OD1 ASN A 39 -4.659 9.985 17.232 1.00 0.00 O ATOM 630 ND2 ASN A 39 -5.643 8.670 18.670 1.00 0.00 N ATOM 0 H ASN A 39 -5.570 12.041 19.347 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.923 11.986 16.453 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.303 10.705 18.879 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.623 10.227 17.224 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.830 8.055 18.696 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.462 8.456 19.239 1.00 0.00 H new ATOM 637 N LYS A 40 -8.212 13.455 18.262 1.00 0.00 N ATOM 638 CA LYS A 40 -9.404 14.340 18.145 1.00 0.00 C ATOM 639 C LYS A 40 -8.952 15.759 17.796 1.00 0.00 C ATOM 640 O LYS A 40 -9.736 16.592 17.390 1.00 0.00 O ATOM 641 CB LYS A 40 -10.062 14.307 19.525 1.00 0.00 C ATOM 642 CG LYS A 40 -11.535 14.701 19.398 1.00 0.00 C ATOM 643 CD LYS A 40 -12.127 14.916 20.793 1.00 0.00 C ATOM 644 CE LYS A 40 -13.074 16.118 20.766 1.00 0.00 C ATOM 645 NZ LYS A 40 -13.874 16.001 22.018 1.00 0.00 N ATOM 0 H LYS A 40 -7.866 13.319 19.212 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.094 14.017 17.365 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.977 13.309 19.956 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.549 14.991 20.201 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.629 15.612 18.807 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.087 13.922 18.873 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.664 14.023 21.113 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.329 15.084 21.516 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.521 17.057 20.736 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.714 16.097 19.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.723 16.598 21.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.158 15.010 22.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.300 16.313 22.827 1.00 0.00 H new ATOM 659 N CYS A 41 -7.684 16.034 17.948 1.00 0.00 N ATOM 660 CA CYS A 41 -7.165 17.392 17.621 1.00 0.00 C ATOM 661 C CYS A 41 -7.310 17.650 16.123 1.00 0.00 C ATOM 662 O CYS A 41 -8.135 18.430 15.689 1.00 0.00 O ATOM 663 CB CYS A 41 -5.687 17.350 18.010 1.00 0.00 C ATOM 664 SG CYS A 41 -4.830 18.787 17.317 1.00 0.00 S ATOM 0 H CYS A 41 -6.984 15.374 18.286 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.703 18.184 18.142 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.587 17.344 19.095 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.231 16.431 17.643 1.00 0.00 H new ATOM 669 N ALA A 42 -6.511 16.993 15.331 1.00 0.00 N ATOM 670 CA ALA A 42 -6.596 17.188 13.856 1.00 0.00 C ATOM 671 C ALA A 42 -8.053 17.089 13.403 1.00 0.00 C ATOM 672 O ALA A 42 -8.460 17.716 12.445 1.00 0.00 O ATOM 673 CB ALA A 42 -5.767 16.053 13.256 1.00 0.00 C ATOM 0 H ALA A 42 -5.802 16.329 15.641 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.228 18.165 13.543 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.781 16.128 12.169 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.739 16.126 13.612 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.189 15.095 13.559 1.00 0.00 H new ATOM 679 N THR A 43 -8.844 16.312 14.090 1.00 0.00 N ATOM 680 CA THR A 43 -10.276 16.179 13.703 1.00 0.00 C ATOM 681 C THR A 43 -11.065 17.379 14.230 1.00 0.00 C ATOM 682 O THR A 43 -11.746 18.060 13.492 1.00 0.00 O ATOM 683 CB THR A 43 -10.749 14.887 14.371 1.00 0.00 C ATOM 684 OG1 THR A 43 -10.004 13.791 13.857 1.00 0.00 O ATOM 685 CG2 THR A 43 -12.236 14.677 14.083 1.00 0.00 C ATOM 0 H THR A 43 -8.561 15.764 14.902 1.00 0.00 H new ATOM 0 HA THR A 43 -10.418 16.149 12.623 1.00 0.00 H new ATOM 0 HB THR A 43 -10.597 14.956 15.448 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.365 13.484 14.534 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.572 13.756 14.559 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.805 15.519 14.478 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.392 14.606 13.006 1.00 0.00 H new ATOM 693 N CYS A 44 -10.970 17.647 15.503 1.00 0.00 N ATOM 694 CA CYS A 44 -11.708 18.807 16.078 1.00 0.00 C ATOM 695 C CYS A 44 -11.399 20.071 15.273 1.00 0.00 C ATOM 696 O CYS A 44 -12.185 20.996 15.222 1.00 0.00 O ATOM 697 CB CYS A 44 -11.187 18.940 17.509 1.00 0.00 C ATOM 698 SG CYS A 44 -11.762 20.502 18.220 1.00 0.00 S ATOM 0 H CYS A 44 -10.413 17.113 16.170 1.00 0.00 H new ATOM 0 HA CYS A 44 -12.789 18.667 16.053 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.536 18.103 18.113 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -10.098 18.905 17.515 1.00 0.00 H new ATOM 703 N LYS A 45 -10.258 20.114 14.640 1.00 0.00 N ATOM 704 CA LYS A 45 -9.898 21.314 13.834 1.00 0.00 C ATOM 705 C LYS A 45 -10.817 21.423 12.616 1.00 0.00 C ATOM 706 O LYS A 45 -11.367 22.469 12.334 1.00 0.00 O ATOM 707 CB LYS A 45 -8.453 21.078 13.396 1.00 0.00 C ATOM 708 CG LYS A 45 -8.028 22.186 12.430 1.00 0.00 C ATOM 709 CD LYS A 45 -7.037 21.622 11.411 1.00 0.00 C ATOM 710 CE LYS A 45 -6.257 22.771 10.769 1.00 0.00 C ATOM 711 NZ LYS A 45 -5.389 22.119 9.748 1.00 0.00 N ATOM 0 H LYS A 45 -9.560 19.370 14.647 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.005 22.240 14.399 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.795 21.066 14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.362 20.105 12.914 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.901 22.591 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.571 23.008 12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.351 20.930 11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.568 21.056 10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.928 23.498 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.663 23.308 11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.821 22.842 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.757 21.437 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.983 21.622 9.054 1.00 0.00 H new ATOM 725 N MET A 46 -10.992 20.350 11.894 1.00 0.00 N ATOM 726 CA MET A 46 -11.880 20.398 10.698 1.00 0.00 C ATOM 727 C MET A 46 -13.317 20.701 11.128 1.00 0.00 C ATOM 728 O MET A 46 -14.119 21.188 10.356 1.00 0.00 O ATOM 729 CB MET A 46 -11.782 19.009 10.066 1.00 0.00 C ATOM 730 CG MET A 46 -12.374 17.960 11.010 1.00 0.00 C ATOM 731 SD MET A 46 -13.481 16.870 10.082 1.00 0.00 S ATOM 732 CE MET A 46 -14.841 18.046 9.880 1.00 0.00 C ATOM 0 H MET A 46 -10.560 19.445 12.080 1.00 0.00 H new ATOM 0 HA MET A 46 -11.587 21.177 9.995 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.314 18.995 9.115 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.740 18.771 9.852 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.576 17.378 11.471 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.920 18.448 11.817 1.00 0.00 H new ATOM 0 HE1 MET A 46 -15.697 17.539 9.434 1.00 0.00 H new ATOM 0 HE2 MET A 46 -15.123 18.447 10.854 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.523 18.862 9.230 1.00 0.00 H new ATOM 742 N ILE A 47 -13.643 20.422 12.359 1.00 0.00 N ATOM 743 CA ILE A 47 -15.025 20.699 12.845 1.00 0.00 C ATOM 744 C ILE A 47 -15.322 22.195 12.719 1.00 0.00 C ATOM 745 O ILE A 47 -16.416 22.596 12.375 1.00 0.00 O ATOM 746 CB ILE A 47 -15.029 20.275 14.316 1.00 0.00 C ATOM 747 CG1 ILE A 47 -14.641 18.799 14.433 1.00 0.00 C ATOM 748 CG2 ILE A 47 -16.428 20.481 14.900 1.00 0.00 C ATOM 749 CD1 ILE A 47 -15.731 17.928 13.807 1.00 0.00 C ATOM 0 H ILE A 47 -13.013 20.014 13.050 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.783 20.165 12.272 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.308 20.880 14.866 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.689 18.623 13.932 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.505 18.531 15.481 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.433 20.180 15.947 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.703 21.533 14.824 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.146 19.877 14.345 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.451 16.878 13.892 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.674 18.096 14.327 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.846 18.189 12.755 1.00 0.00 H new ATOM 761 N LEU A 48 -14.349 23.022 12.989 1.00 0.00 N ATOM 762 CA LEU A 48 -14.565 24.492 12.879 1.00 0.00 C ATOM 763 C LEU A 48 -14.603 24.903 11.406 1.00 0.00 C ATOM 764 O LEU A 48 -15.394 25.731 11.001 1.00 0.00 O ATOM 765 CB LEU A 48 -13.361 25.123 13.578 1.00 0.00 C ATOM 766 CG LEU A 48 -13.497 24.951 15.093 1.00 0.00 C ATOM 767 CD1 LEU A 48 -14.873 25.448 15.541 1.00 0.00 C ATOM 768 CD2 LEU A 48 -13.345 23.473 15.456 1.00 0.00 C ATOM 0 H LEU A 48 -13.413 22.742 13.281 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.507 24.809 13.327 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.440 24.655 13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.296 26.182 13.327 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.721 25.529 15.595 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.971 25.326 16.620 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.981 26.502 15.284 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.649 24.871 15.039 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.442 23.351 16.535 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.120 22.894 14.954 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.364 23.119 15.138 1.00 0.00 H new ATOM 780 N GLU A 49 -13.752 24.326 10.601 1.00 0.00 N ATOM 781 CA GLU A 49 -13.737 24.681 9.153 1.00 0.00 C ATOM 782 C GLU A 49 -15.122 24.452 8.540 1.00 0.00 C ATOM 783 O GLU A 49 -15.488 25.070 7.560 1.00 0.00 O ATOM 784 CB GLU A 49 -12.710 23.738 8.525 1.00 0.00 C ATOM 785 CG GLU A 49 -11.342 23.975 9.167 1.00 0.00 C ATOM 786 CD GLU A 49 -10.305 23.062 8.510 1.00 0.00 C ATOM 787 OE1 GLU A 49 -10.686 22.294 7.642 1.00 0.00 O ATOM 788 OE2 GLU A 49 -9.147 23.146 8.886 1.00 0.00 O ATOM 0 H GLU A 49 -13.067 23.625 10.883 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.484 25.728 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.016 22.702 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.654 23.908 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.049 25.018 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.391 23.776 10.237 1.00 0.00 H new ATOM 795 N LYS A 50 -15.894 23.568 9.111 1.00 0.00 N ATOM 796 CA LYS A 50 -17.254 23.300 8.563 1.00 0.00 C ATOM 797 C LYS A 50 -18.151 24.527 8.747 1.00 0.00 C ATOM 798 O LYS A 50 -18.996 24.819 7.926 1.00 0.00 O ATOM 799 CB LYS A 50 -17.785 22.121 9.379 1.00 0.00 C ATOM 800 CG LYS A 50 -17.036 20.848 8.983 1.00 0.00 C ATOM 801 CD LYS A 50 -17.524 20.374 7.612 1.00 0.00 C ATOM 802 CE LYS A 50 -16.861 19.038 7.269 1.00 0.00 C ATOM 803 NZ LYS A 50 -15.459 19.390 6.908 1.00 0.00 N ATOM 0 H LYS A 50 -15.642 23.020 9.933 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.232 23.080 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.657 22.315 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.854 21.996 9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.963 21.039 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.200 20.070 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.608 20.263 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.284 21.117 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.891 18.353 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.371 18.545 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.831 18.592 7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.404 19.596 5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.162 20.228 7.447 1.00 0.00 H new ATOM 817 N GLU A 51 -17.972 25.246 9.821 1.00 0.00 N ATOM 818 CA GLU A 51 -18.815 26.453 10.058 1.00 0.00 C ATOM 819 C GLU A 51 -18.525 27.516 8.994 1.00 0.00 C ATOM 820 O GLU A 51 -19.346 28.366 8.713 1.00 0.00 O ATOM 821 CB GLU A 51 -18.407 26.955 11.443 1.00 0.00 C ATOM 822 CG GLU A 51 -18.668 25.860 12.479 1.00 0.00 C ATOM 823 CD GLU A 51 -18.198 26.337 13.854 1.00 0.00 C ATOM 824 OE1 GLU A 51 -17.017 26.609 13.993 1.00 0.00 O ATOM 825 OE2 GLU A 51 -19.027 26.424 14.745 1.00 0.00 O ATOM 0 H GLU A 51 -17.280 25.051 10.544 1.00 0.00 H new ATOM 0 HA GLU A 51 -19.881 26.231 10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.352 27.229 11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.971 27.853 11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.731 25.619 12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.142 24.947 12.199 1.00 0.00 H new ATOM 832 N ALA A 52 -17.364 27.473 8.401 1.00 0.00 N ATOM 833 CA ALA A 52 -17.023 28.481 7.357 1.00 0.00 C ATOM 834 C ALA A 52 -17.829 28.215 6.083 1.00 0.00 C ATOM 835 O ALA A 52 -18.035 29.095 5.271 1.00 0.00 O ATOM 836 CB ALA A 52 -15.529 28.290 7.096 1.00 0.00 C ATOM 0 H ALA A 52 -16.637 26.784 8.594 1.00 0.00 H new ATOM 0 HA ALA A 52 -17.255 29.498 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.199 28.998 6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.974 28.462 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.348 27.273 6.748 1.00 0.00 H new ATOM 842 N LYS A 53 -18.288 27.006 5.901 1.00 0.00 N ATOM 843 CA LYS A 53 -19.081 26.685 4.680 1.00 0.00 C ATOM 844 C LYS A 53 -20.532 27.140 4.856 1.00 0.00 C ATOM 845 O LYS A 53 -21.237 27.383 3.897 1.00 0.00 O ATOM 846 CB LYS A 53 -19.008 25.164 4.549 1.00 0.00 C ATOM 847 CG LYS A 53 -17.620 24.761 4.046 1.00 0.00 C ATOM 848 CD LYS A 53 -17.562 23.242 3.869 1.00 0.00 C ATOM 849 CE LYS A 53 -16.171 22.839 3.376 1.00 0.00 C ATOM 850 NZ LYS A 53 -16.179 21.349 3.388 1.00 0.00 N ATOM 0 H LYS A 53 -18.148 26.227 6.545 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.696 27.189 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.207 24.695 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.774 24.811 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.407 25.256 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.857 25.085 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.782 22.746 4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.320 22.919 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.979 23.225 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.391 23.236 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.257 20.994 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.358 21.011 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.927 21.001 2.755 1.00 0.00 H new ATOM 864 N SER A 54 -20.984 27.257 6.075 1.00 0.00 N ATOM 865 CA SER A 54 -22.389 27.696 6.310 1.00 0.00 C ATOM 866 C SER A 54 -22.520 29.202 6.068 1.00 0.00 C ATOM 867 O SER A 54 -23.597 29.712 5.835 1.00 0.00 O ATOM 868 CB SER A 54 -22.669 27.362 7.776 1.00 0.00 C ATOM 869 OG SER A 54 -22.650 25.953 7.952 1.00 0.00 O ATOM 0 H SER A 54 -20.441 27.068 6.918 1.00 0.00 H new ATOM 0 HA SER A 54 -23.093 27.204 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 54 -21.921 27.829 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 54 -23.638 27.763 8.073 1.00 0.00 H new ATOM 0 HG SER A 54 -22.828 25.738 8.892 1.00 0.00 H new ATOM 875 N GLN A 55 -21.430 29.918 6.121 1.00 0.00 N ATOM 876 CA GLN A 55 -21.492 31.390 5.894 1.00 0.00 C ATOM 877 C GLN A 55 -20.080 31.979 5.853 1.00 0.00 C ATOM 878 O GLN A 55 -19.293 31.642 6.722 1.00 0.00 O ATOM 879 CB GLN A 55 -22.269 31.942 7.089 1.00 0.00 C ATOM 880 CG GLN A 55 -21.439 31.765 8.362 1.00 0.00 C ATOM 881 CD GLN A 55 -22.260 32.213 9.573 1.00 0.00 C ATOM 882 OE1 GLN A 55 -23.461 32.038 9.606 1.00 0.00 O ATOM 883 NE2 GLN A 55 -21.656 32.788 10.577 1.00 0.00 N ATOM 884 OXT GLN A 55 -19.809 32.758 4.954 1.00 0.00 O ATOM 0 H GLN A 55 -20.499 29.547 6.312 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.968 31.642 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -22.496 32.997 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -23.222 31.423 7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -21.145 30.722 8.475 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.521 32.350 8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -20.647 32.935 10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -22.193 33.091 11.390 1.00 0.00 H new TER 893 GLN A 55