USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 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 Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 166:sc=-0.00221 (180deg=-0.293) USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= -0.488 (180deg=-0.685) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.0234 (180deg=-0.359) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0239 (180deg=-0.329) USER MOD Single : A 34 HIS : no HE2:sc= 0.264 K(o=0.26,f=-2.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.0111 (180deg=-0.277) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0132 (180deg=-0.253) USER MOD Single : A 54 ASN : amide:sc= -0.0527 K(o=-0.053,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -13.367 -8.641 -11.843 1.00 0.00 N ATOM 2 CA ILE A 5 -12.129 -8.686 -12.672 1.00 0.00 C ATOM 3 C ILE A 5 -10.979 -7.973 -11.902 1.00 0.00 C ATOM 4 O ILE A 5 -10.468 -6.936 -12.345 1.00 0.00 O ATOM 5 CB ILE A 5 -12.427 -7.971 -14.090 1.00 0.00 C ATOM 6 CG1 ILE A 5 -13.200 -6.555 -13.851 1.00 0.00 C ATOM 7 CG2 ILE A 5 -13.317 -8.920 -15.025 1.00 0.00 C ATOM 8 CD1 ILE A 5 -13.078 -5.609 -15.081 1.00 0.00 C ATOM 0 HA ILE A 5 -11.824 -9.715 -12.863 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.475 -7.783 -14.586 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -14.253 -6.747 -13.644 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.788 -6.061 -12.971 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.507 -8.420 -15.975 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.786 -9.854 -15.206 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.265 -9.132 -14.531 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.607 -4.678 -14.878 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -12.027 -5.394 -15.272 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.515 -6.091 -15.956 1.00 0.00 H new ATOM 20 N MET A 6 -10.562 -8.568 -10.752 1.00 0.00 N ATOM 21 CA MET A 6 -9.444 -8.012 -9.907 1.00 0.00 C ATOM 22 C MET A 6 -9.578 -6.454 -9.738 1.00 0.00 C ATOM 23 O MET A 6 -8.576 -5.735 -9.659 1.00 0.00 O ATOM 24 CB MET A 6 -8.060 -8.384 -10.605 1.00 0.00 C ATOM 25 CG MET A 6 -7.882 -9.957 -10.760 1.00 0.00 C ATOM 26 SD MET A 6 -7.795 -10.771 -9.121 1.00 0.00 S ATOM 27 CE MET A 6 -7.715 -12.498 -9.685 1.00 0.00 C ATOM 0 H MET A 6 -10.972 -9.426 -10.382 1.00 0.00 H new ATOM 0 HA MET A 6 -9.490 -8.447 -8.909 1.00 0.00 H new ATOM 0 HB2 MET A 6 -8.010 -7.914 -11.587 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.236 -7.981 -10.016 1.00 0.00 H new ATOM 0 HG2 MET A 6 -8.716 -10.367 -11.330 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.974 -10.170 -11.325 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.656 -13.160 -8.821 1.00 0.00 H new ATOM 0 HE2 MET A 6 -8.608 -12.734 -10.263 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.832 -12.636 -10.309 1.00 0.00 H new ATOM 37 N GLN A 7 -10.853 -5.962 -9.733 1.00 0.00 N ATOM 38 CA GLN A 7 -11.156 -4.501 -9.634 1.00 0.00 C ATOM 39 C GLN A 7 -10.612 -3.908 -8.300 1.00 0.00 C ATOM 40 O GLN A 7 -10.049 -2.807 -8.286 1.00 0.00 O ATOM 41 CB GLN A 7 -12.729 -4.276 -9.754 1.00 0.00 C ATOM 42 CG GLN A 7 -13.101 -2.716 -9.816 1.00 0.00 C ATOM 43 CD GLN A 7 -14.628 -2.498 -9.936 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.377 -2.878 -9.039 1.00 0.00 O ATOM 45 NE2 GLN A 7 -15.124 -1.907 -10.997 1.00 0.00 N ATOM 0 H GLN A 7 -11.682 -6.552 -9.796 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.658 -3.980 -10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.101 -4.775 -10.649 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.229 -4.736 -8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.731 -2.217 -8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.599 -2.255 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.503 -1.591 -11.742 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.131 -1.763 -11.077 1.00 0.00 H new ATOM 54 N ALA A 8 -10.781 -4.662 -7.191 1.00 0.00 N ATOM 55 CA ALA A 8 -10.306 -4.226 -5.845 1.00 0.00 C ATOM 56 C ALA A 8 -8.765 -3.982 -5.853 1.00 0.00 C ATOM 57 O ALA A 8 -8.296 -2.926 -5.418 1.00 0.00 O ATOM 58 CB ALA A 8 -10.671 -5.339 -4.800 1.00 0.00 C ATOM 0 H ALA A 8 -11.240 -5.573 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.791 -3.288 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.330 -5.035 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.751 -5.482 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.185 -6.274 -5.080 1.00 0.00 H new ATOM 64 N LYS A 9 -7.995 -4.983 -6.366 1.00 0.00 N ATOM 65 CA LYS A 9 -6.508 -4.896 -6.446 1.00 0.00 C ATOM 66 C LYS A 9 -6.068 -3.774 -7.424 1.00 0.00 C ATOM 67 O LYS A 9 -5.133 -3.025 -7.135 1.00 0.00 O ATOM 68 CB LYS A 9 -5.924 -6.285 -6.919 1.00 0.00 C ATOM 69 CG LYS A 9 -6.180 -7.417 -5.832 1.00 0.00 C ATOM 70 CD LYS A 9 -5.596 -8.822 -6.324 1.00 0.00 C ATOM 71 CE LYS A 9 -5.827 -9.935 -5.237 1.00 0.00 C ATOM 72 NZ LYS A 9 -7.295 -10.094 -5.015 1.00 0.00 N ATOM 0 H LYS A 9 -8.378 -5.856 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.120 -4.653 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.385 -6.573 -7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.854 -6.189 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.712 -7.134 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.249 -7.509 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.077 -9.114 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.530 -8.725 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.391 -10.879 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.332 -9.661 -4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.473 -10.972 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.653 -9.284 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.782 -10.137 -5.933 1.00 0.00 H new ATOM 86 N GLU A 10 -6.768 -3.665 -8.590 1.00 0.00 N ATOM 87 CA GLU A 10 -6.446 -2.632 -9.613 1.00 0.00 C ATOM 88 C GLU A 10 -6.696 -1.225 -9.013 1.00 0.00 C ATOM 89 O GLU A 10 -5.878 -0.314 -9.165 1.00 0.00 O ATOM 90 CB GLU A 10 -7.356 -2.868 -10.892 1.00 0.00 C ATOM 91 CG GLU A 10 -6.981 -1.866 -12.079 1.00 0.00 C ATOM 92 CD GLU A 10 -7.870 -2.116 -13.323 1.00 0.00 C ATOM 93 OE1 GLU A 10 -9.074 -2.205 -13.154 1.00 0.00 O ATOM 94 OE2 GLU A 10 -7.329 -2.201 -14.421 1.00 0.00 O ATOM 0 H GLU A 10 -7.548 -4.272 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.399 -2.704 -9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.242 -3.896 -11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.404 -2.736 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.103 -0.837 -11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.932 -1.991 -12.347 1.00 0.00 H new ATOM 101 N ASP A 11 -7.838 -1.095 -8.299 1.00 0.00 N ATOM 102 CA ASP A 11 -8.218 0.180 -7.624 1.00 0.00 C ATOM 103 C ASP A 11 -7.160 0.510 -6.539 1.00 0.00 C ATOM 104 O ASP A 11 -6.795 1.676 -6.355 1.00 0.00 O ATOM 105 CB ASP A 11 -9.648 0.074 -6.949 1.00 0.00 C ATOM 106 CG ASP A 11 -10.794 0.002 -7.991 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.529 0.145 -9.180 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.918 -0.209 -7.572 1.00 0.00 O ATOM 0 H ASP A 11 -8.513 -1.849 -8.172 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.257 0.970 -8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.682 -0.812 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.805 0.936 -6.301 1.00 0.00 H new ATOM 113 N PHE A 12 -6.677 -0.543 -5.817 1.00 0.00 N ATOM 114 CA PHE A 12 -5.659 -0.356 -4.742 1.00 0.00 C ATOM 115 C PHE A 12 -4.313 0.176 -5.321 1.00 0.00 C ATOM 116 O PHE A 12 -3.774 1.172 -4.840 1.00 0.00 O ATOM 117 CB PHE A 12 -5.423 -1.716 -3.979 1.00 0.00 C ATOM 118 CG PHE A 12 -4.754 -1.415 -2.585 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.568 -1.086 -1.467 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.349 -1.431 -2.428 1.00 0.00 C ATOM 121 CE1 PHE A 12 -4.983 -0.794 -0.222 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.775 -1.129 -1.169 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.593 -0.817 -0.076 1.00 0.00 C ATOM 0 H PHE A 12 -6.969 -1.510 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.040 0.388 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.370 -2.237 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.783 -2.372 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.642 -1.060 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.714 -1.673 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.609 -0.551 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.701 -1.139 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.149 -0.593 0.883 1.00 0.00 H new ATOM 133 N LYS A 13 -3.797 -0.501 -6.382 1.00 0.00 N ATOM 134 CA LYS A 13 -2.524 -0.104 -7.049 1.00 0.00 C ATOM 135 C LYS A 13 -2.657 1.282 -7.673 1.00 0.00 C ATOM 136 O LYS A 13 -1.750 2.126 -7.564 1.00 0.00 O ATOM 137 CB LYS A 13 -2.180 -1.169 -8.157 1.00 0.00 C ATOM 138 CG LYS A 13 -1.800 -2.566 -7.499 1.00 0.00 C ATOM 139 CD LYS A 13 -1.491 -3.656 -8.618 1.00 0.00 C ATOM 140 CE LYS A 13 -1.083 -5.022 -7.957 1.00 0.00 C ATOM 141 NZ LYS A 13 -2.220 -5.512 -7.123 1.00 0.00 N ATOM 0 H LYS A 13 -4.241 -1.322 -6.794 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.723 -0.066 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.033 -1.296 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.350 -0.811 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.930 -2.444 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.619 -2.910 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.369 -3.798 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.688 -3.304 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.836 -5.754 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.192 -4.893 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.916 -5.588 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.014 -4.844 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.523 -6.446 -7.464 1.00 0.00 H new ATOM 155 N LYS A 14 -3.819 1.504 -8.335 1.00 0.00 N ATOM 156 CA LYS A 14 -4.110 2.785 -8.993 1.00 0.00 C ATOM 157 C LYS A 14 -4.104 3.912 -7.936 1.00 0.00 C ATOM 158 O LYS A 14 -3.565 4.995 -8.170 1.00 0.00 O ATOM 159 CB LYS A 14 -5.506 2.728 -9.743 1.00 0.00 C ATOM 160 CG LYS A 14 -5.776 4.080 -10.557 1.00 0.00 C ATOM 161 CD LYS A 14 -7.140 4.014 -11.370 1.00 0.00 C ATOM 162 CE LYS A 14 -7.359 5.354 -12.178 1.00 0.00 C ATOM 163 NZ LYS A 14 -7.450 6.490 -11.205 1.00 0.00 N ATOM 0 H LYS A 14 -4.562 0.811 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.342 2.987 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.521 1.879 -10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.305 2.569 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.805 4.922 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.950 4.261 -11.245 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.123 3.166 -12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.973 3.854 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.535 5.516 -12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.270 5.292 -12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.873 7.316 -11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.043 6.209 -10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.497 6.734 -10.866 1.00 0.00 H new ATOM 177 N MET A 15 -4.730 3.642 -6.767 1.00 0.00 N ATOM 178 CA MET A 15 -4.786 4.642 -5.678 1.00 0.00 C ATOM 179 C MET A 15 -3.339 4.899 -5.108 1.00 0.00 C ATOM 180 O MET A 15 -2.981 6.016 -4.837 1.00 0.00 O ATOM 181 CB MET A 15 -5.769 4.150 -4.538 1.00 0.00 C ATOM 182 CG MET A 15 -6.058 5.300 -3.463 1.00 0.00 C ATOM 183 SD MET A 15 -7.047 6.631 -4.253 1.00 0.00 S ATOM 184 CE MET A 15 -7.255 7.717 -2.827 1.00 0.00 C ATOM 0 H MET A 15 -5.194 2.759 -6.557 1.00 0.00 H new ATOM 0 HA MET A 15 -5.169 5.583 -6.073 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.709 3.825 -4.984 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.338 3.284 -4.036 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.596 4.889 -2.609 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.119 5.704 -3.084 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.838 8.591 -3.117 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.776 7.180 -2.034 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.277 8.037 -2.467 1.00 0.00 H new ATOM 194 N MET A 16 -2.556 3.813 -4.906 1.00 0.00 N ATOM 195 CA MET A 16 -1.155 3.897 -4.334 1.00 0.00 C ATOM 196 C MET A 16 -0.154 4.667 -5.286 1.00 0.00 C ATOM 197 O MET A 16 0.678 5.453 -4.809 1.00 0.00 O ATOM 198 CB MET A 16 -0.633 2.419 -4.084 1.00 0.00 C ATOM 199 CG MET A 16 -1.355 1.736 -2.827 1.00 0.00 C ATOM 200 SD MET A 16 -0.846 2.502 -1.239 1.00 0.00 S ATOM 201 CE MET A 16 0.689 1.577 -0.910 1.00 0.00 C ATOM 0 H MET A 16 -2.853 2.862 -5.124 1.00 0.00 H new ATOM 0 HA MET A 16 -1.197 4.463 -3.403 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.808 1.816 -4.975 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.444 2.437 -3.918 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.436 1.821 -2.940 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.119 0.672 -2.808 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.129 1.922 0.026 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.464 0.513 -0.834 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.394 1.741 -1.725 1.00 0.00 H new ATOM 211 N GLU A 17 -0.226 4.406 -6.631 1.00 0.00 N ATOM 212 CA GLU A 17 0.708 5.055 -7.627 1.00 0.00 C ATOM 213 C GLU A 17 0.422 6.584 -7.751 1.00 0.00 C ATOM 214 O GLU A 17 1.333 7.371 -7.898 1.00 0.00 O ATOM 215 CB GLU A 17 0.599 4.313 -9.043 1.00 0.00 C ATOM 216 CG GLU A 17 -0.718 4.723 -9.837 1.00 0.00 C ATOM 217 CD GLU A 17 -0.930 3.887 -11.121 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.039 3.139 -11.492 1.00 0.00 O ATOM 219 OE2 GLU A 17 -1.988 4.031 -11.722 1.00 0.00 O ATOM 0 H GLU A 17 -0.903 3.767 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 17 1.732 4.952 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.474 4.554 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.606 3.234 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.582 4.603 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.663 5.779 -10.102 1.00 0.00 H new ATOM 226 N GLU A 18 -0.883 6.948 -7.726 1.00 0.00 N ATOM 227 CA GLU A 18 -1.342 8.372 -7.862 1.00 0.00 C ATOM 228 C GLU A 18 -1.333 9.102 -6.495 1.00 0.00 C ATOM 229 O GLU A 18 -1.388 10.345 -6.460 1.00 0.00 O ATOM 230 CB GLU A 18 -2.808 8.399 -8.508 1.00 0.00 C ATOM 231 CG GLU A 18 -3.931 7.906 -7.487 1.00 0.00 C ATOM 232 CD GLU A 18 -4.452 9.057 -6.575 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.197 9.887 -7.070 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.097 9.079 -5.397 1.00 0.00 O ATOM 0 H GLU A 18 -1.646 6.281 -7.613 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.649 8.900 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.039 9.412 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.823 7.765 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.766 7.483 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.527 7.108 -6.865 1.00 0.00 H new ATOM 241 N ALA A 19 -1.261 8.326 -5.375 1.00 0.00 N ATOM 242 CA ALA A 19 -1.244 8.909 -3.998 1.00 0.00 C ATOM 243 C ALA A 19 0.206 9.179 -3.545 1.00 0.00 C ATOM 244 O ALA A 19 0.437 9.319 -2.336 1.00 0.00 O ATOM 245 CB ALA A 19 -1.948 7.916 -2.979 1.00 0.00 C ATOM 0 H ALA A 19 -1.214 7.307 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.789 9.853 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.931 8.349 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.981 7.752 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.416 6.965 -2.972 1.00 0.00 H new ATOM 251 N LYS A 20 1.205 9.178 -4.523 1.00 0.00 N ATOM 252 CA LYS A 20 2.681 9.337 -4.180 1.00 0.00 C ATOM 253 C LYS A 20 2.827 10.057 -2.827 1.00 0.00 C ATOM 254 O LYS A 20 2.380 11.199 -2.679 1.00 0.00 O ATOM 255 CB LYS A 20 3.431 10.162 -5.325 1.00 0.00 C ATOM 256 CG LYS A 20 3.562 9.344 -6.696 1.00 0.00 C ATOM 257 CD LYS A 20 4.683 8.180 -6.616 1.00 0.00 C ATOM 258 CE LYS A 20 4.801 7.394 -7.974 1.00 0.00 C ATOM 259 NZ LYS A 20 5.910 6.398 -7.865 1.00 0.00 N ATOM 0 H LYS A 20 1.018 9.072 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 20 3.136 8.349 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.890 11.090 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.426 10.438 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.598 8.900 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.813 10.032 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.648 8.620 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.431 7.486 -5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.862 6.889 -8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.995 8.086 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.995 5.874 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.803 6.893 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.705 5.733 -7.092 1.00 0.00 H new ATOM 273 N PHE A 21 3.399 9.326 -1.852 1.00 0.00 N ATOM 274 CA PHE A 21 3.567 9.784 -0.472 1.00 0.00 C ATOM 275 C PHE A 21 4.997 9.486 -0.038 1.00 0.00 C ATOM 276 O PHE A 21 5.732 8.788 -0.757 1.00 0.00 O ATOM 277 CB PHE A 21 2.498 9.027 0.421 1.00 0.00 C ATOM 278 CG PHE A 21 2.730 7.460 0.373 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.230 6.680 -0.721 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.449 6.809 1.406 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.452 5.283 -0.752 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.662 5.420 1.363 1.00 0.00 C ATOM 283 CZ PHE A 21 3.163 4.658 0.291 1.00 0.00 C ATOM 0 H PHE A 21 3.761 8.386 -2.010 1.00 0.00 H new ATOM 0 HA PHE A 21 3.405 10.857 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.565 9.377 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.493 9.261 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.684 7.158 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.837 7.385 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.076 4.695 -1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.211 4.936 2.157 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.326 3.591 0.268 1.00 0.00 H new ATOM 293 N ASN A 22 5.396 10.022 1.124 1.00 0.00 N ATOM 294 CA ASN A 22 6.762 9.818 1.661 1.00 0.00 C ATOM 295 C ASN A 22 7.132 8.257 1.666 1.00 0.00 C ATOM 296 O ASN A 22 6.404 7.472 2.273 1.00 0.00 O ATOM 297 CB ASN A 22 6.788 10.423 3.106 1.00 0.00 C ATOM 298 CG ASN A 22 6.645 11.961 3.029 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.638 12.530 3.468 1.00 0.00 O ATOM 300 ND2 ASN A 22 7.597 12.654 2.474 1.00 0.00 N ATOM 0 H ASN A 22 4.798 10.600 1.714 1.00 0.00 H new ATOM 0 HA ASN A 22 7.507 10.314 1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.978 10.002 3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.721 10.159 3.605 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.513 13.668 2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.427 12.183 2.113 1.00 0.00 H new ATOM 307 N PRO A 23 8.238 7.792 0.969 1.00 0.00 N ATOM 308 CA PRO A 23 8.601 6.305 0.906 1.00 0.00 C ATOM 309 C PRO A 23 9.059 5.760 2.274 1.00 0.00 C ATOM 310 O PRO A 23 9.109 4.536 2.466 1.00 0.00 O ATOM 311 CB PRO A 23 9.750 6.245 -0.187 1.00 0.00 C ATOM 312 CG PRO A 23 10.402 7.611 -0.127 1.00 0.00 C ATOM 313 CD PRO A 23 9.251 8.612 0.194 1.00 0.00 C ATOM 0 HA PRO A 23 7.750 5.676 0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.466 5.453 0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.345 6.042 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.175 7.643 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.883 7.857 -1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.612 9.456 0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.816 9.022 -0.718 1.00 0.00 H new ATOM 321 N ARG A 24 9.412 6.685 3.206 1.00 0.00 N ATOM 322 CA ARG A 24 9.903 6.304 4.574 1.00 0.00 C ATOM 323 C ARG A 24 8.738 6.187 5.570 1.00 0.00 C ATOM 324 O ARG A 24 8.938 5.734 6.703 1.00 0.00 O ATOM 325 CB ARG A 24 10.927 7.380 5.069 1.00 0.00 C ATOM 326 CG ARG A 24 12.230 7.387 4.156 1.00 0.00 C ATOM 327 CD ARG A 24 13.223 8.508 4.608 1.00 0.00 C ATOM 328 NE ARG A 24 14.421 8.493 3.737 1.00 0.00 N ATOM 329 CZ ARG A 24 15.434 9.384 3.876 1.00 0.00 C ATOM 330 NH1 ARG A 24 15.376 10.319 4.797 1.00 0.00 N ATOM 331 NH2 ARG A 24 16.471 9.317 3.090 1.00 0.00 N ATOM 0 H ARG A 24 9.369 7.691 3.045 1.00 0.00 H new ATOM 0 HA ARG A 24 10.388 5.330 4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.461 8.365 5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.204 7.175 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.722 6.416 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.948 7.543 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.736 9.482 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.514 8.352 5.647 1.00 0.00 H new ATOM 0 HE ARG A 24 14.487 7.786 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.565 10.378 5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.142 10.986 4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.520 8.595 2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.234 9.987 3.194 1.00 0.00 H new ATOM 345 N ALA A 25 7.511 6.560 5.135 1.00 0.00 N ATOM 346 CA ALA A 25 6.309 6.443 6.003 1.00 0.00 C ATOM 347 C ALA A 25 5.979 4.950 6.139 1.00 0.00 C ATOM 348 O ALA A 25 6.373 4.157 5.283 1.00 0.00 O ATOM 349 CB ALA A 25 5.104 7.219 5.385 1.00 0.00 C ATOM 0 H ALA A 25 7.326 6.938 4.206 1.00 0.00 H new ATOM 0 HA ALA A 25 6.506 6.879 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.235 7.120 6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.363 8.273 5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.871 6.807 4.403 1.00 0.00 H new ATOM 355 N THR A 26 5.280 4.592 7.227 1.00 0.00 N ATOM 356 CA THR A 26 4.890 3.201 7.510 1.00 0.00 C ATOM 357 C THR A 26 3.447 2.985 7.035 1.00 0.00 C ATOM 358 O THR A 26 2.707 3.946 6.800 1.00 0.00 O ATOM 359 CB THR A 26 5.022 2.963 9.061 1.00 0.00 C ATOM 360 OG1 THR A 26 6.296 3.434 9.469 1.00 0.00 O ATOM 361 CG2 THR A 26 4.895 1.440 9.462 1.00 0.00 C ATOM 0 H THR A 26 4.969 5.257 7.935 1.00 0.00 H new ATOM 0 HA THR A 26 5.532 2.493 6.986 1.00 0.00 H new ATOM 0 HB THR A 26 4.208 3.496 9.553 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.401 3.298 10.434 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.994 1.339 10.543 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.922 1.062 9.150 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.682 0.868 8.970 1.00 0.00 H new ATOM 369 N PHE A 27 3.054 1.708 6.934 1.00 0.00 N ATOM 370 CA PHE A 27 1.696 1.309 6.532 1.00 0.00 C ATOM 371 C PHE A 27 0.641 1.869 7.540 1.00 0.00 C ATOM 372 O PHE A 27 -0.426 2.341 7.133 1.00 0.00 O ATOM 373 CB PHE A 27 1.619 -0.251 6.451 1.00 0.00 C ATOM 374 CG PHE A 27 0.149 -0.663 6.127 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.362 -0.475 4.818 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.711 -1.159 7.154 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.690 -0.782 4.542 1.00 0.00 C ATOM 378 CE2 PHE A 27 -2.034 -1.472 6.858 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.525 -1.282 5.561 1.00 0.00 C ATOM 0 H PHE A 27 3.670 0.919 7.129 1.00 0.00 H new ATOM 0 HA PHE A 27 1.471 1.726 5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.294 -0.623 5.681 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.937 -0.695 7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.279 -0.094 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.335 -1.291 8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.082 -0.637 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.682 -1.862 7.629 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.555 -1.521 5.339 1.00 0.00 H new ATOM 389 N SER A 28 0.953 1.777 8.840 1.00 0.00 N ATOM 390 CA SER A 28 0.045 2.244 9.923 1.00 0.00 C ATOM 391 C SER A 28 -0.276 3.760 9.760 1.00 0.00 C ATOM 392 O SER A 28 -1.429 4.172 9.916 1.00 0.00 O ATOM 393 CB SER A 28 0.720 1.985 11.299 1.00 0.00 C ATOM 394 OG SER A 28 -0.163 2.392 12.340 1.00 0.00 O ATOM 0 H SER A 28 1.830 1.383 9.179 1.00 0.00 H new ATOM 0 HA SER A 28 -0.893 1.693 9.864 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.963 0.928 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.658 2.536 11.366 1.00 0.00 H new ATOM 0 HG SER A 28 0.259 2.229 13.209 1.00 0.00 H new ATOM 400 N GLU A 29 0.750 4.565 9.415 1.00 0.00 N ATOM 401 CA GLU A 29 0.567 6.035 9.194 1.00 0.00 C ATOM 402 C GLU A 29 -0.301 6.282 7.918 1.00 0.00 C ATOM 403 O GLU A 29 -1.222 7.122 7.922 1.00 0.00 O ATOM 404 CB GLU A 29 1.989 6.716 9.031 1.00 0.00 C ATOM 405 CG GLU A 29 2.850 6.611 10.376 1.00 0.00 C ATOM 406 CD GLU A 29 2.193 7.416 11.535 1.00 0.00 C ATOM 407 OE1 GLU A 29 1.905 8.582 11.318 1.00 0.00 O ATOM 408 OE2 GLU A 29 1.989 6.850 12.603 1.00 0.00 O ATOM 0 H GLU A 29 1.707 4.238 9.282 1.00 0.00 H new ATOM 0 HA GLU A 29 0.052 6.472 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.530 6.239 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.862 7.764 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.947 5.565 10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.857 6.987 10.195 1.00 0.00 H new ATOM 415 N PHE A 30 0.000 5.522 6.827 1.00 0.00 N ATOM 416 CA PHE A 30 -0.751 5.632 5.546 1.00 0.00 C ATOM 417 C PHE A 30 -2.237 5.168 5.726 1.00 0.00 C ATOM 418 O PHE A 30 -3.180 5.824 5.247 1.00 0.00 O ATOM 419 CB PHE A 30 -0.032 4.758 4.439 1.00 0.00 C ATOM 420 CG PHE A 30 -0.733 5.017 3.053 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.379 6.162 2.281 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.773 4.159 2.588 1.00 0.00 C ATOM 423 CE1 PHE A 30 -1.048 6.436 1.078 1.00 0.00 C ATOM 424 CE2 PHE A 30 -2.427 4.439 1.375 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.067 5.575 0.624 1.00 0.00 C ATOM 0 H PHE A 30 0.751 4.833 6.810 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.763 6.676 5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.025 5.017 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.087 3.701 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.406 6.820 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.058 3.294 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.781 7.308 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.207 3.782 1.019 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.575 5.787 -0.305 1.00 0.00 H new ATOM 435 N ALA A 31 -2.406 4.017 6.424 1.00 0.00 N ATOM 436 CA ALA A 31 -3.739 3.412 6.698 1.00 0.00 C ATOM 437 C ALA A 31 -4.570 4.320 7.623 1.00 0.00 C ATOM 438 O ALA A 31 -5.766 4.460 7.436 1.00 0.00 O ATOM 439 CB ALA A 31 -3.538 2.004 7.339 1.00 0.00 C ATOM 0 H ALA A 31 -1.628 3.483 6.812 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.287 3.306 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.510 1.555 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.981 1.367 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.982 2.105 8.271 1.00 0.00 H new ATOM 445 N ALA A 32 -3.895 4.941 8.617 1.00 0.00 N ATOM 446 CA ALA A 32 -4.559 5.863 9.590 1.00 0.00 C ATOM 447 C ALA A 32 -5.208 7.056 8.835 1.00 0.00 C ATOM 448 O ALA A 32 -6.324 7.482 9.174 1.00 0.00 O ATOM 449 CB ALA A 32 -3.496 6.399 10.616 1.00 0.00 C ATOM 0 H ALA A 32 -2.894 4.826 8.773 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.337 5.318 10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.981 7.071 11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.055 5.560 11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.714 6.938 10.081 1.00 0.00 H new ATOM 455 N LYS A 33 -4.504 7.567 7.792 1.00 0.00 N ATOM 456 CA LYS A 33 -5.024 8.689 6.968 1.00 0.00 C ATOM 457 C LYS A 33 -6.217 8.221 6.072 1.00 0.00 C ATOM 458 O LYS A 33 -7.221 8.947 5.943 1.00 0.00 O ATOM 459 CB LYS A 33 -3.856 9.297 6.081 1.00 0.00 C ATOM 460 CG LYS A 33 -4.345 10.594 5.278 1.00 0.00 C ATOM 461 CD LYS A 33 -3.164 11.240 4.428 1.00 0.00 C ATOM 462 CE LYS A 33 -3.675 12.535 3.673 1.00 0.00 C ATOM 463 NZ LYS A 33 -4.821 12.171 2.782 1.00 0.00 N ATOM 0 H LYS A 33 -3.587 7.225 7.504 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.397 9.466 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.012 9.559 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.502 8.544 5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.165 10.323 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.734 11.332 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.333 11.498 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.787 10.515 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.986 13.291 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.867 12.969 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.004 12.949 2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.587 11.309 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.669 12.002 3.359 1.00 0.00 H new ATOM 477 N HIS A 34 -6.085 7.017 5.435 1.00 0.00 N ATOM 478 CA HIS A 34 -7.146 6.468 4.512 1.00 0.00 C ATOM 479 C HIS A 34 -8.126 5.548 5.282 1.00 0.00 C ATOM 480 O HIS A 34 -8.975 4.919 4.676 1.00 0.00 O ATOM 481 CB HIS A 34 -6.440 5.685 3.330 1.00 0.00 C ATOM 482 CG HIS A 34 -5.625 6.667 2.479 1.00 0.00 C ATOM 483 ND1 HIS A 34 -4.354 7.079 2.845 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.913 7.349 1.311 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.929 7.964 1.923 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.839 8.164 0.968 1.00 0.00 N ATOM 0 H HIS A 34 -5.270 6.412 5.537 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.732 7.290 4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.789 4.909 3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.187 5.186 2.713 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.834 6.768 3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.832 7.262 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.967 8.453 1.953 1.00 0.00 H new ATOM 494 N ALA A 35 -7.951 5.441 6.626 1.00 0.00 N ATOM 495 CA ALA A 35 -8.800 4.543 7.485 1.00 0.00 C ATOM 496 C ALA A 35 -10.303 4.819 7.245 1.00 0.00 C ATOM 497 O ALA A 35 -11.107 3.884 7.186 1.00 0.00 O ATOM 498 CB ALA A 35 -8.452 4.780 9.002 1.00 0.00 C ATOM 0 H ALA A 35 -7.239 5.957 7.143 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.591 3.507 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.068 4.129 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.399 4.555 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.648 5.820 9.262 1.00 0.00 H new ATOM 504 N LYS A 36 -10.660 6.105 7.112 1.00 0.00 N ATOM 505 CA LYS A 36 -12.067 6.531 6.885 1.00 0.00 C ATOM 506 C LYS A 36 -12.482 6.347 5.392 1.00 0.00 C ATOM 507 O LYS A 36 -13.618 6.667 5.026 1.00 0.00 O ATOM 508 CB LYS A 36 -12.215 8.038 7.360 1.00 0.00 C ATOM 509 CG LYS A 36 -11.268 9.013 6.499 1.00 0.00 C ATOM 510 CD LYS A 36 -11.379 10.523 7.003 1.00 0.00 C ATOM 511 CE LYS A 36 -10.443 11.476 6.162 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.590 12.878 6.653 1.00 0.00 N ATOM 0 H LYS A 36 -9.997 6.879 7.157 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.742 5.903 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.254 8.354 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.958 8.116 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.234 8.678 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.546 8.957 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.412 10.861 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.106 10.578 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.405 11.155 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.704 11.420 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.973 13.506 6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.579 13.181 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.320 12.925 7.656 1.00 0.00 H new ATOM 526 N ASP A 37 -11.537 5.838 4.541 1.00 0.00 N ATOM 527 CA ASP A 37 -11.802 5.619 3.080 1.00 0.00 C ATOM 528 C ASP A 37 -12.532 4.261 2.899 1.00 0.00 C ATOM 529 O ASP A 37 -12.042 3.231 3.359 1.00 0.00 O ATOM 530 CB ASP A 37 -10.445 5.638 2.254 1.00 0.00 C ATOM 531 CG ASP A 37 -10.694 5.775 0.720 1.00 0.00 C ATOM 532 OD1 ASP A 37 -11.764 5.395 0.265 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.795 6.250 0.033 1.00 0.00 O ATOM 0 H ASP A 37 -10.597 5.575 4.836 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.432 6.424 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.825 6.467 2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.889 4.721 2.450 1.00 0.00 H new ATOM 538 N SER A 38 -13.714 4.277 2.233 1.00 0.00 N ATOM 539 CA SER A 38 -14.528 3.042 1.999 1.00 0.00 C ATOM 540 C SER A 38 -13.692 1.975 1.234 1.00 0.00 C ATOM 541 O SER A 38 -13.909 0.767 1.392 1.00 0.00 O ATOM 542 CB SER A 38 -15.779 3.438 1.162 1.00 0.00 C ATOM 543 OG SER A 38 -15.335 3.982 -0.078 1.00 0.00 O ATOM 0 H SER A 38 -14.129 5.125 1.847 1.00 0.00 H new ATOM 0 HA SER A 38 -14.831 2.612 2.954 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.411 2.567 0.990 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.382 4.168 1.702 1.00 0.00 H new ATOM 0 HG SER A 38 -16.111 4.236 -0.620 1.00 0.00 H new ATOM 549 N ARG A 39 -12.718 2.465 0.431 1.00 0.00 N ATOM 550 CA ARG A 39 -11.797 1.608 -0.355 1.00 0.00 C ATOM 551 C ARG A 39 -10.899 0.776 0.595 1.00 0.00 C ATOM 552 O ARG A 39 -10.459 -0.315 0.247 1.00 0.00 O ATOM 553 CB ARG A 39 -10.893 2.521 -1.287 1.00 0.00 C ATOM 554 CG ARG A 39 -10.053 1.647 -2.368 1.00 0.00 C ATOM 555 CD ARG A 39 -8.525 2.038 -2.362 1.00 0.00 C ATOM 556 NE ARG A 39 -7.928 1.776 -1.006 1.00 0.00 N ATOM 557 CZ ARG A 39 -6.646 2.121 -0.675 1.00 0.00 C ATOM 558 NH1 ARG A 39 -5.816 2.570 -1.572 1.00 0.00 N ATOM 559 NH2 ARG A 39 -6.230 1.973 0.550 1.00 0.00 N ATOM 0 H ARG A 39 -12.548 3.463 0.310 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.382 0.925 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.523 3.238 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.202 3.096 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.159 0.586 -2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.466 1.803 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.992 1.463 -3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.410 3.091 -2.621 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.506 1.320 -0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.118 2.670 -2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.864 2.822 -1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.859 1.600 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.275 2.230 0.799 1.00 0.00 H new ATOM 573 N PHE A 40 -10.641 1.322 1.807 1.00 0.00 N ATOM 574 CA PHE A 40 -9.812 0.622 2.824 1.00 0.00 C ATOM 575 C PHE A 40 -10.570 -0.639 3.357 1.00 0.00 C ATOM 576 O PHE A 40 -9.987 -1.720 3.527 1.00 0.00 O ATOM 577 CB PHE A 40 -9.444 1.594 4.007 1.00 0.00 C ATOM 578 CG PHE A 40 -8.318 0.935 4.882 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.958 1.038 4.471 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.636 0.191 6.057 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.950 0.425 5.218 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.613 -0.426 6.795 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.275 -0.309 6.378 1.00 0.00 C ATOM 0 H PHE A 40 -10.989 2.234 2.105 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.883 0.298 2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.103 2.552 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.325 1.795 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.706 1.592 3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.663 0.102 6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.919 0.513 4.907 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.854 -0.991 7.683 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.491 -0.784 6.949 1.00 0.00 H new ATOM 593 N LYS A 41 -11.875 -0.427 3.653 1.00 0.00 N ATOM 594 CA LYS A 41 -12.777 -1.475 4.221 1.00 0.00 C ATOM 595 C LYS A 41 -13.143 -2.545 3.147 1.00 0.00 C ATOM 596 O LYS A 41 -13.693 -3.601 3.488 1.00 0.00 O ATOM 597 CB LYS A 41 -14.102 -0.790 4.761 1.00 0.00 C ATOM 598 CG LYS A 41 -13.803 0.366 5.825 1.00 0.00 C ATOM 599 CD LYS A 41 -13.178 -0.197 7.185 1.00 0.00 C ATOM 600 CE LYS A 41 -12.920 0.983 8.206 1.00 0.00 C ATOM 601 NZ LYS A 41 -14.211 1.677 8.517 1.00 0.00 N ATOM 0 H LYS A 41 -12.337 0.471 3.508 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.255 -1.975 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.659 -0.372 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.737 -1.547 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.116 1.090 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.728 0.898 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.855 -0.928 7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.242 -0.715 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.476 0.593 9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.208 1.692 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.091 2.272 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.488 2.273 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.952 0.969 8.695 1.00 0.00 H new ATOM 615 N ALA A 42 -12.820 -2.265 1.855 1.00 0.00 N ATOM 616 CA ALA A 42 -13.091 -3.203 0.728 1.00 0.00 C ATOM 617 C ALA A 42 -12.236 -4.488 0.874 1.00 0.00 C ATOM 618 O ALA A 42 -12.726 -5.601 0.620 1.00 0.00 O ATOM 619 CB ALA A 42 -12.771 -2.472 -0.626 1.00 0.00 C ATOM 0 H ALA A 42 -12.371 -1.396 1.567 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.140 -3.500 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.965 -3.148 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.402 -1.589 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.723 -2.172 -0.639 1.00 0.00 H new ATOM 625 N ILE A 43 -10.972 -4.315 1.316 1.00 0.00 N ATOM 626 CA ILE A 43 -10.043 -5.456 1.539 1.00 0.00 C ATOM 627 C ILE A 43 -10.305 -5.997 2.951 1.00 0.00 C ATOM 628 O ILE A 43 -10.347 -5.218 3.901 1.00 0.00 O ATOM 629 CB ILE A 43 -8.506 -5.004 1.386 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.323 -4.083 0.061 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.564 -6.291 1.289 1.00 0.00 C ATOM 632 CD1 ILE A 43 -8.403 -2.573 0.392 1.00 0.00 C ATOM 0 H ILE A 43 -10.568 -3.402 1.526 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.221 -6.227 0.790 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.222 -4.422 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.362 -4.302 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.094 -4.336 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.526 -5.975 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.673 -6.890 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.850 -6.887 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.276 -1.993 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.374 -2.348 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.615 -2.313 1.099 1.00 0.00 H new ATOM 644 N GLU A 44 -10.512 -7.335 3.066 1.00 0.00 N ATOM 645 CA GLU A 44 -10.791 -7.996 4.363 1.00 0.00 C ATOM 646 C GLU A 44 -9.461 -8.368 5.048 1.00 0.00 C ATOM 647 O GLU A 44 -9.286 -8.182 6.262 1.00 0.00 O ATOM 648 CB GLU A 44 -11.658 -9.296 4.088 1.00 0.00 C ATOM 649 CG GLU A 44 -12.265 -9.913 5.436 1.00 0.00 C ATOM 650 CD GLU A 44 -13.378 -9.001 6.049 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.794 -8.053 5.392 1.00 0.00 O ATOM 652 OE2 GLU A 44 -13.781 -9.268 7.171 1.00 0.00 O ATOM 0 H GLU A 44 -10.490 -7.976 2.273 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.342 -7.325 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.471 -9.051 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.040 -10.045 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.679 -10.900 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.466 -10.049 6.165 1.00 0.00 H new ATOM 659 N LYS A 45 -8.527 -8.925 4.232 1.00 0.00 N ATOM 660 CA LYS A 45 -7.197 -9.370 4.717 1.00 0.00 C ATOM 661 C LYS A 45 -6.279 -8.155 4.935 1.00 0.00 C ATOM 662 O LYS A 45 -6.309 -7.212 4.156 1.00 0.00 O ATOM 663 CB LYS A 45 -6.548 -10.353 3.655 1.00 0.00 C ATOM 664 CG LYS A 45 -7.409 -11.687 3.505 1.00 0.00 C ATOM 665 CD LYS A 45 -6.746 -12.678 2.441 1.00 0.00 C ATOM 666 CE LYS A 45 -7.591 -13.996 2.288 1.00 0.00 C ATOM 667 NZ LYS A 45 -6.935 -14.881 1.288 1.00 0.00 N ATOM 0 H LYS A 45 -8.673 -9.076 3.234 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.319 -9.892 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.475 -9.853 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.532 -10.605 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.487 -12.185 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.423 -11.437 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.667 -12.179 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.732 -12.927 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.669 -14.506 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.606 -13.757 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.489 -15.755 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.882 -14.391 0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.975 -15.117 1.610 1.00 0.00 H new ATOM 681 N MET A 46 -5.463 -8.217 6.013 1.00 0.00 N ATOM 682 CA MET A 46 -4.504 -7.152 6.382 1.00 0.00 C ATOM 683 C MET A 46 -3.058 -7.568 5.984 1.00 0.00 C ATOM 684 O MET A 46 -2.195 -6.714 5.748 1.00 0.00 O ATOM 685 CB MET A 46 -4.635 -6.890 7.940 1.00 0.00 C ATOM 686 CG MET A 46 -3.711 -5.684 8.440 1.00 0.00 C ATOM 687 SD MET A 46 -2.029 -6.298 8.834 1.00 0.00 S ATOM 688 CE MET A 46 -1.216 -4.700 9.106 1.00 0.00 C ATOM 0 H MET A 46 -5.452 -9.011 6.653 1.00 0.00 H new ATOM 0 HA MET A 46 -4.727 -6.230 5.846 1.00 0.00 H new ATOM 0 HB2 MET A 46 -5.675 -6.671 8.182 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.367 -7.797 8.481 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.654 -4.916 7.669 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.152 -5.219 9.322 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.169 -4.863 9.361 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.279 -4.100 8.198 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.710 -4.175 9.923 1.00 0.00 H new ATOM 698 N LYS A 47 -2.812 -8.900 5.923 1.00 0.00 N ATOM 699 CA LYS A 47 -1.470 -9.461 5.560 1.00 0.00 C ATOM 700 C LYS A 47 -1.085 -9.082 4.102 1.00 0.00 C ATOM 701 O LYS A 47 0.076 -8.768 3.813 1.00 0.00 O ATOM 702 CB LYS A 47 -1.493 -11.037 5.718 1.00 0.00 C ATOM 703 CG LYS A 47 -1.692 -11.456 7.240 1.00 0.00 C ATOM 704 CD LYS A 47 -1.709 -13.046 7.401 1.00 0.00 C ATOM 705 CE LYS A 47 -1.870 -13.450 8.915 1.00 0.00 C ATOM 706 NZ LYS A 47 -3.166 -12.913 9.424 1.00 0.00 N ATOM 0 H LYS A 47 -3.517 -9.610 6.118 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.724 -9.036 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.299 -11.455 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.561 -11.457 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.889 -11.035 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.626 -11.039 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.528 -13.467 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.786 -13.467 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.844 -14.535 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.041 -13.053 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.396 -13.364 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.087 -11.885 9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.920 -13.116 8.737 1.00 0.00 H new ATOM 720 N ASP A 48 -2.093 -9.128 3.192 1.00 0.00 N ATOM 721 CA ASP A 48 -1.895 -8.799 1.752 1.00 0.00 C ATOM 722 C ASP A 48 -1.519 -7.306 1.579 1.00 0.00 C ATOM 723 O ASP A 48 -0.743 -6.946 0.675 1.00 0.00 O ATOM 724 CB ASP A 48 -3.211 -9.138 0.952 1.00 0.00 C ATOM 725 CG ASP A 48 -3.012 -8.953 -0.577 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.226 -9.696 -1.141 1.00 0.00 O ATOM 727 OD2 ASP A 48 -3.643 -8.072 -1.150 1.00 0.00 O ATOM 0 H ASP A 48 -3.050 -9.389 3.428 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.073 -9.397 1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.509 -10.166 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.022 -8.495 1.295 1.00 0.00 H new ATOM 732 N ARG A 49 -2.104 -6.446 2.439 1.00 0.00 N ATOM 733 CA ARG A 49 -1.861 -4.983 2.380 1.00 0.00 C ATOM 734 C ARG A 49 -0.361 -4.699 2.701 1.00 0.00 C ATOM 735 O ARG A 49 0.293 -3.910 2.019 1.00 0.00 O ATOM 736 CB ARG A 49 -2.741 -4.264 3.455 1.00 0.00 C ATOM 737 CG ARG A 49 -4.292 -4.541 3.235 1.00 0.00 C ATOM 738 CD ARG A 49 -5.160 -3.795 4.338 1.00 0.00 C ATOM 739 NE ARG A 49 -6.479 -4.462 4.488 1.00 0.00 N ATOM 740 CZ ARG A 49 -7.348 -4.147 5.480 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.057 -3.230 6.361 1.00 0.00 N ATOM 742 NH2 ARG A 49 -8.474 -4.779 5.572 1.00 0.00 N ATOM 0 H ARG A 49 -2.744 -6.734 3.179 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.112 -4.616 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.449 -4.603 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.555 -3.191 3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.589 -4.203 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.484 -5.613 3.278 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.632 -3.799 5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.301 -2.752 4.056 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.741 -5.185 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.165 -2.738 6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.722 -3.005 7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.705 -5.511 4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.131 -4.545 6.317 1.00 0.00 H new ATOM 756 N GLU A 50 0.160 -5.390 3.781 1.00 0.00 N ATOM 757 CA GLU A 50 1.579 -5.226 4.221 1.00 0.00 C ATOM 758 C GLU A 50 2.529 -5.759 3.121 1.00 0.00 C ATOM 759 O GLU A 50 3.545 -5.126 2.800 1.00 0.00 O ATOM 760 CB GLU A 50 1.830 -6.010 5.585 1.00 0.00 C ATOM 761 CG GLU A 50 3.308 -5.721 6.162 1.00 0.00 C ATOM 762 CD GLU A 50 3.591 -6.474 7.486 1.00 0.00 C ATOM 763 OE1 GLU A 50 2.652 -6.962 8.094 1.00 0.00 O ATOM 764 OE2 GLU A 50 4.755 -6.545 7.865 1.00 0.00 O ATOM 0 H GLU A 50 -0.378 -6.049 4.344 1.00 0.00 H new ATOM 0 HA GLU A 50 1.778 -4.167 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.084 -5.711 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.704 -7.080 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.048 -6.014 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.427 -4.650 6.325 1.00 0.00 H new ATOM 771 N ALA A 51 2.183 -6.945 2.551 1.00 0.00 N ATOM 772 CA ALA A 51 2.997 -7.583 1.488 1.00 0.00 C ATOM 773 C ALA A 51 3.159 -6.621 0.283 1.00 0.00 C ATOM 774 O ALA A 51 4.276 -6.390 -0.207 1.00 0.00 O ATOM 775 CB ALA A 51 2.268 -8.896 1.015 1.00 0.00 C ATOM 0 H ALA A 51 1.350 -7.473 2.810 1.00 0.00 H new ATOM 0 HA ALA A 51 3.986 -7.819 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.855 -9.377 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.162 -9.577 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.282 -8.644 0.625 1.00 0.00 H new ATOM 781 N LEU A 52 2.008 -6.062 -0.181 1.00 0.00 N ATOM 782 CA LEU A 52 1.982 -5.119 -1.327 1.00 0.00 C ATOM 783 C LEU A 52 2.756 -3.828 -0.986 1.00 0.00 C ATOM 784 O LEU A 52 3.501 -3.301 -1.811 1.00 0.00 O ATOM 785 CB LEU A 52 0.473 -4.792 -1.732 1.00 0.00 C ATOM 786 CG LEU A 52 0.355 -4.185 -3.257 1.00 0.00 C ATOM 787 CD1 LEU A 52 -1.006 -4.623 -3.934 1.00 0.00 C ATOM 788 CD2 LEU A 52 0.458 -2.601 -3.260 1.00 0.00 C ATOM 0 H LEU A 52 1.090 -6.249 0.222 1.00 0.00 H new ATOM 0 HA LEU A 52 2.474 -5.587 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.126 -5.699 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.056 -4.075 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 52 1.189 -4.591 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.061 -4.210 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.053 -5.711 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.843 -4.251 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.376 -2.233 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.349 -2.183 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.418 -2.298 -2.841 1.00 0.00 H new ATOM 800 N PHE A 53 2.539 -3.321 0.265 1.00 0.00 N ATOM 801 CA PHE A 53 3.192 -2.071 0.751 1.00 0.00 C ATOM 802 C PHE A 53 4.735 -2.231 0.715 1.00 0.00 C ATOM 803 O PHE A 53 5.455 -1.354 0.227 1.00 0.00 O ATOM 804 CB PHE A 53 2.713 -1.772 2.225 1.00 0.00 C ATOM 805 CG PHE A 53 3.297 -0.394 2.712 1.00 0.00 C ATOM 806 CD1 PHE A 53 4.561 -0.335 3.370 1.00 0.00 C ATOM 807 CD2 PHE A 53 2.584 0.814 2.471 1.00 0.00 C ATOM 808 CE1 PHE A 53 5.085 0.904 3.771 1.00 0.00 C ATOM 809 CE2 PHE A 53 3.117 2.040 2.881 1.00 0.00 C ATOM 810 CZ PHE A 53 4.363 2.086 3.526 1.00 0.00 C ATOM 0 H PHE A 53 1.921 -3.758 0.949 1.00 0.00 H new ATOM 0 HA PHE A 53 2.912 -1.240 0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.624 -1.749 2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.039 -2.571 2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.115 -1.243 3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.628 0.784 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.043 0.950 4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.569 2.953 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.771 3.037 3.837 1.00 0.00 H new ATOM 820 N ASN A 54 5.213 -3.374 1.230 1.00 0.00 N ATOM 821 CA ASN A 54 6.669 -3.685 1.266 1.00 0.00 C ATOM 822 C ASN A 54 7.218 -3.753 -0.196 1.00 0.00 C ATOM 823 O ASN A 54 8.312 -3.238 -0.491 1.00 0.00 O ATOM 824 CB ASN A 54 6.890 -5.069 1.989 1.00 0.00 C ATOM 825 CG ASN A 54 6.573 -4.995 3.509 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.513 -3.911 4.101 1.00 0.00 O ATOM 827 ND2 ASN A 54 6.381 -6.106 4.167 1.00 0.00 N ATOM 0 H ASN A 54 4.622 -4.103 1.629 1.00 0.00 H new ATOM 0 HA ASN A 54 7.200 -2.907 1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.257 -5.825 1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.923 -5.389 1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.182 -6.079 5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.430 -7.001 3.681 1.00 0.00 H new ATOM 834 N GLU A 55 6.417 -4.385 -1.109 1.00 0.00 N ATOM 835 CA GLU A 55 6.791 -4.511 -2.547 1.00 0.00 C ATOM 836 C GLU A 55 6.767 -3.117 -3.223 1.00 0.00 C ATOM 837 O GLU A 55 7.626 -2.813 -4.058 1.00 0.00 O ATOM 838 CB GLU A 55 5.794 -5.502 -3.291 1.00 0.00 C ATOM 839 CG GLU A 55 6.245 -5.767 -4.813 1.00 0.00 C ATOM 840 CD GLU A 55 5.281 -6.751 -5.520 1.00 0.00 C ATOM 841 OE1 GLU A 55 5.057 -7.815 -4.972 1.00 0.00 O ATOM 842 OE2 GLU A 55 4.792 -6.423 -6.597 1.00 0.00 O ATOM 0 H GLU A 55 5.520 -4.809 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 55 7.800 -4.919 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.753 -6.449 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.787 -5.084 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.269 -4.823 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.257 -6.170 -4.830 1.00 0.00 H new ATOM 849 N PHE A 56 5.742 -2.279 -2.868 1.00 0.00 N ATOM 850 CA PHE A 56 5.579 -0.926 -3.468 1.00 0.00 C ATOM 851 C PHE A 56 6.804 -0.029 -3.147 1.00 0.00 C ATOM 852 O PHE A 56 7.357 0.607 -4.037 1.00 0.00 O ATOM 853 CB PHE A 56 4.253 -0.258 -2.926 1.00 0.00 C ATOM 854 CG PHE A 56 4.087 1.176 -3.565 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.601 1.307 -4.896 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.468 2.351 -2.843 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.492 2.582 -5.487 1.00 0.00 C ATOM 858 CE2 PHE A 56 4.361 3.616 -3.449 1.00 0.00 C ATOM 859 CZ PHE A 56 3.873 3.732 -4.766 1.00 0.00 C ATOM 0 H PHE A 56 5.029 -2.518 -2.179 1.00 0.00 H new ATOM 0 HA PHE A 56 5.511 -1.031 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.393 -0.880 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.289 -0.182 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.315 0.428 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.838 2.267 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.116 2.678 -6.495 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.654 4.501 -2.903 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.791 4.706 -5.225 1.00 0.00 H new ATOM 869 N VAL A 57 7.215 -0.002 -1.856 1.00 0.00 N ATOM 870 CA VAL A 57 8.385 0.811 -1.407 1.00 0.00 C ATOM 871 C VAL A 57 9.674 0.292 -2.084 1.00 0.00 C ATOM 872 O VAL A 57 10.502 1.084 -2.574 1.00 0.00 O ATOM 873 CB VAL A 57 8.502 0.719 0.188 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.852 1.395 0.727 1.00 0.00 C ATOM 875 CG2 VAL A 57 7.246 1.440 0.869 1.00 0.00 C ATOM 0 H VAL A 57 6.762 -0.527 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 57 8.247 1.854 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 57 8.520 -0.338 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.892 1.311 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.712 0.887 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.870 2.447 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.332 1.374 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.222 2.488 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.327 0.950 0.547 1.00 0.00 H new ATOM 885 N ALA A 58 9.837 -1.052 -2.103 1.00 0.00 N ATOM 886 CA ALA A 58 11.027 -1.695 -2.712 1.00 0.00 C ATOM 887 C ALA A 58 11.059 -1.445 -4.248 1.00 0.00 C ATOM 888 O ALA A 58 12.119 -1.174 -4.818 1.00 0.00 O ATOM 889 CB ALA A 58 10.995 -3.232 -2.393 1.00 0.00 C ATOM 0 H ALA A 58 9.165 -1.709 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 58 11.933 -1.260 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.866 -3.714 -2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.009 -3.380 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.087 -3.671 -2.807 1.00 0.00 H new ATOM 895 N ALA A 59 9.864 -1.518 -4.896 1.00 0.00 N ATOM 896 CA ALA A 59 9.723 -1.283 -6.361 1.00 0.00 C ATOM 897 C ALA A 59 9.852 0.231 -6.713 1.00 0.00 C ATOM 898 O ALA A 59 10.476 0.595 -7.720 1.00 0.00 O ATOM 899 CB ALA A 59 8.325 -1.831 -6.820 1.00 0.00 C ATOM 0 H ALA A 59 8.985 -1.738 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 59 10.525 -1.805 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.204 -1.668 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.265 -2.898 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.535 -1.308 -6.281 1.00 0.00 H new ATOM 905 N ALA A 60 9.222 1.108 -5.871 1.00 0.00 N ATOM 906 CA ALA A 60 9.233 2.589 -6.096 1.00 0.00 C ATOM 907 C ALA A 60 10.667 3.163 -5.937 1.00 0.00 C ATOM 908 O ALA A 60 11.085 4.034 -6.715 1.00 0.00 O ATOM 909 CB ALA A 60 8.251 3.274 -5.066 1.00 0.00 C ATOM 0 H ALA A 60 8.706 0.819 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 60 8.902 2.797 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.253 4.353 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.242 2.888 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.579 3.055 -4.050 1.00 0.00 H new ATOM 915 N ARG A 61 11.409 2.662 -4.905 1.00 0.00 N ATOM 916 CA ARG A 61 12.802 3.125 -4.634 1.00 0.00 C ATOM 917 C ARG A 61 13.781 2.602 -5.730 1.00 0.00 C ATOM 918 O ARG A 61 14.673 3.337 -6.180 1.00 0.00 O ATOM 919 CB ARG A 61 13.247 2.662 -3.188 1.00 0.00 C ATOM 920 CG ARG A 61 14.704 3.217 -2.801 1.00 0.00 C ATOM 921 CD ARG A 61 15.113 2.769 -1.347 1.00 0.00 C ATOM 922 NE ARG A 61 14.203 3.407 -0.358 1.00 0.00 N ATOM 923 CZ ARG A 61 14.294 3.194 0.983 1.00 0.00 C ATOM 924 NH1 ARG A 61 15.215 2.400 1.485 1.00 0.00 N ATOM 925 NH2 ARG A 61 13.454 3.792 1.782 1.00 0.00 N ATOM 0 H ARG A 61 11.071 1.949 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 61 12.830 4.214 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.519 3.011 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.249 1.573 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.439 2.850 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.711 4.305 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.059 1.684 -1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.145 3.054 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 61 13.476 4.034 -0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.877 1.932 0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.267 2.253 2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.739 4.411 1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.512 3.640 2.789 1.00 0.00 H new