USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= -0.177 (180deg=-0.873) USER MOD Single : A 6 MET CE :methyl 137:sc= -0.632 (180deg=-2.19) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.456) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 20 GLN : amide:sc= -0.246 K(o=-0.25,f=-1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-3.5!) USER MOD Single : A 30 SER OG : rot -44:sc= 0.591 USER MOD Single : A 31 HIS : no HD1:sc= -0.0783 X(o=-0.078,f=-0.13) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.3) USER MOD Single : A 58 GLN : amide:sc= -0.664 K(o=-0.66,f=-4.2!) USER MOD Single : A 60 GLN : amide:sc= -1.99 X(o=-2,f=-2.3) USER MOD Single : A 62 ASN : amide:sc= -0.546 K(o=-0.55,f=-3.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.733 K(o=-0.73,f=-1.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.781 -1.900 -0.642 1.00 0.00 N ATOM 2 CA MET A 1 0.641 -1.590 -2.060 1.00 0.00 C ATOM 3 C MET A 1 0.305 -2.844 -2.860 1.00 0.00 C ATOM 4 O MET A 1 0.744 -3.944 -2.522 1.00 0.00 O ATOM 5 CB MET A 1 1.928 -0.959 -2.596 1.00 0.00 C ATOM 6 CG MET A 1 3.169 -1.798 -2.340 1.00 0.00 C ATOM 7 SD MET A 1 4.694 -0.852 -2.508 1.00 0.00 S ATOM 8 CE MET A 1 5.778 -1.760 -1.409 1.00 0.00 C ATOM 0 H1 MET A 1 1.523 -1.300 -0.227 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.121 -1.720 -0.157 1.00 0.00 H new ATOM 0 H3 MET A 1 1.041 -2.901 -0.529 1.00 0.00 H new ATOM 0 HA MET A 1 -0.178 -0.879 -2.171 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.824 -0.797 -3.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.061 0.021 -2.137 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.117 -2.220 -1.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.187 -2.635 -3.038 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.764 -1.295 -1.404 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.366 -1.748 -0.400 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.864 -2.791 -1.753 1.00 0.00 H new ATOM 18 N ASP A 2 -0.475 -2.673 -3.922 1.00 0.00 N ATOM 19 CA ASP A 2 -0.869 -3.791 -4.770 1.00 0.00 C ATOM 20 C ASP A 2 -0.015 -3.843 -6.033 1.00 0.00 C ATOM 21 O ASP A 2 -0.531 -4.016 -7.137 1.00 0.00 O ATOM 22 CB ASP A 2 -2.348 -3.679 -5.144 1.00 0.00 C ATOM 23 CG ASP A 2 -2.962 -5.023 -5.485 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.500 -6.044 -4.934 1.00 0.00 O ATOM 25 OD2 ASP A 2 -3.905 -5.053 -6.303 1.00 0.00 O ATOM 0 H ASP A 2 -0.847 -1.770 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.713 -4.713 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.897 -3.232 -4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.455 -3.007 -5.996 1.00 0.00 H new ATOM 30 N ARG A 3 1.295 -3.691 -5.862 1.00 0.00 N ATOM 31 CA ARG A 3 2.220 -3.718 -6.988 1.00 0.00 C ATOM 32 C ARG A 3 2.238 -5.095 -7.645 1.00 0.00 C ATOM 33 O ARG A 3 2.311 -6.118 -6.963 1.00 0.00 O ATOM 34 CB ARG A 3 3.630 -3.344 -6.526 1.00 0.00 C ATOM 35 CG ARG A 3 3.719 -1.959 -5.905 1.00 0.00 C ATOM 36 CD ARG A 3 4.043 -0.901 -6.948 1.00 0.00 C ATOM 37 NE ARG A 3 4.304 0.402 -6.342 1.00 0.00 N ATOM 38 CZ ARG A 3 5.471 0.742 -5.804 1.00 0.00 C ATOM 39 NH1 ARG A 3 6.477 -0.121 -5.797 1.00 0.00 N ATOM 40 NH2 ARG A 3 5.632 1.947 -5.273 1.00 0.00 N ATOM 0 H ARG A 3 1.739 -3.548 -4.955 1.00 0.00 H new ATOM 0 HA ARG A 3 1.879 -2.988 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 3 3.973 -4.081 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.308 -3.396 -7.378 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.774 -1.715 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.486 -1.955 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.914 -1.214 -7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.212 -0.815 -7.648 1.00 0.00 H new ATOM 0 HE ARG A 3 3.550 1.088 -6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.357 -1.048 -6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.372 0.142 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.860 2.614 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.528 2.207 -4.860 1.00 0.00 H new ATOM 54 N ILE A 4 2.169 -5.113 -8.972 1.00 0.00 N ATOM 55 CA ILE A 4 2.177 -6.364 -9.720 1.00 0.00 C ATOM 56 C ILE A 4 3.075 -6.264 -10.948 1.00 0.00 C ATOM 57 O ILE A 4 2.740 -5.590 -11.922 1.00 0.00 O ATOM 58 CB ILE A 4 0.758 -6.763 -10.166 1.00 0.00 C ATOM 59 CG1 ILE A 4 -0.164 -6.893 -8.952 1.00 0.00 C ATOM 60 CG2 ILE A 4 0.796 -8.065 -10.951 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.635 -6.877 -9.306 1.00 0.00 C ATOM 0 H ILE A 4 2.107 -4.276 -9.551 1.00 0.00 H new ATOM 0 HA ILE A 4 2.566 -7.130 -9.049 1.00 0.00 H new ATOM 0 HB ILE A 4 0.364 -5.981 -10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.066 -7.822 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.044 -6.078 -8.259 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.214 -8.334 -11.259 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.423 -7.940 -11.834 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.206 -8.856 -10.324 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.229 -6.973 -8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.880 -5.938 -9.802 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.857 -7.709 -9.974 1.00 0.00 H new ATOM 73 N PHE A 5 4.217 -6.941 -10.896 1.00 0.00 N ATOM 74 CA PHE A 5 5.164 -6.930 -12.005 1.00 0.00 C ATOM 75 C PHE A 5 4.764 -7.945 -13.072 1.00 0.00 C ATOM 76 O PHE A 5 4.050 -8.907 -12.792 1.00 0.00 O ATOM 77 CB PHE A 5 6.576 -7.234 -11.501 1.00 0.00 C ATOM 78 CG PHE A 5 6.781 -8.672 -11.120 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.373 -9.139 -9.880 1.00 0.00 C ATOM 80 CD2 PHE A 5 7.379 -9.558 -12.001 1.00 0.00 C ATOM 81 CE1 PHE A 5 6.561 -10.462 -9.527 1.00 0.00 C ATOM 82 CE2 PHE A 5 7.569 -10.882 -11.654 1.00 0.00 C ATOM 83 CZ PHE A 5 7.158 -11.335 -10.415 1.00 0.00 C ATOM 0 H PHE A 5 4.509 -7.504 -10.098 1.00 0.00 H new ATOM 0 HA PHE A 5 5.151 -5.935 -12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.295 -6.966 -12.275 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.788 -6.604 -10.637 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.903 -8.462 -9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.701 -9.210 -12.971 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.241 -10.813 -8.557 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.038 -11.562 -12.350 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.303 -12.370 -10.142 1.00 0.00 H new ATOM 93 N MET A 6 5.229 -7.721 -14.297 1.00 0.00 N ATOM 94 CA MET A 6 4.920 -8.615 -15.406 1.00 0.00 C ATOM 95 C MET A 6 5.635 -8.170 -16.678 1.00 0.00 C ATOM 96 O MET A 6 6.095 -7.032 -16.780 1.00 0.00 O ATOM 97 CB MET A 6 3.410 -8.663 -15.646 1.00 0.00 C ATOM 98 CG MET A 6 2.735 -7.306 -15.540 1.00 0.00 C ATOM 99 SD MET A 6 0.962 -7.385 -15.858 1.00 0.00 S ATOM 100 CE MET A 6 0.445 -8.558 -14.607 1.00 0.00 C ATOM 0 H MET A 6 5.821 -6.928 -14.546 1.00 0.00 H new ATOM 0 HA MET A 6 5.270 -9.613 -15.143 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.221 -9.078 -16.636 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.957 -9.342 -14.924 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.904 -6.898 -14.544 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.197 -6.618 -16.249 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.475 -8.208 -14.139 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.270 -9.530 -15.069 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.225 -8.651 -13.851 1.00 0.00 H new ATOM 110 N THR A 7 5.726 -9.075 -17.648 1.00 0.00 N ATOM 111 CA THR A 7 6.386 -8.776 -18.913 1.00 0.00 C ATOM 112 C THR A 7 5.385 -8.284 -19.952 1.00 0.00 C ATOM 113 O THR A 7 4.194 -8.153 -19.668 1.00 0.00 O ATOM 114 CB THR A 7 7.121 -10.010 -19.469 1.00 0.00 C ATOM 115 OG1 THR A 7 6.186 -11.066 -19.718 1.00 0.00 O ATOM 116 CG2 THR A 7 8.187 -10.489 -18.495 1.00 0.00 C ATOM 0 H THR A 7 5.351 -10.021 -17.581 1.00 0.00 H new ATOM 0 HA THR A 7 7.113 -7.990 -18.712 1.00 0.00 H new ATOM 0 HB THR A 7 7.606 -9.727 -20.403 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.661 -11.846 -20.073 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.693 -11.361 -18.909 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.913 -9.693 -18.330 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.720 -10.756 -17.547 1.00 0.00 H new ATOM 124 N ARG A 8 5.876 -8.013 -21.157 1.00 0.00 N ATOM 125 CA ARG A 8 5.024 -7.534 -22.239 1.00 0.00 C ATOM 126 C ARG A 8 3.842 -8.475 -22.458 1.00 0.00 C ATOM 127 O ARG A 8 2.704 -8.034 -22.619 1.00 0.00 O ATOM 128 CB ARG A 8 5.830 -7.403 -23.532 1.00 0.00 C ATOM 129 CG ARG A 8 6.957 -6.387 -23.446 1.00 0.00 C ATOM 130 CD ARG A 8 8.030 -6.655 -24.490 1.00 0.00 C ATOM 131 NE ARG A 8 9.018 -7.624 -24.024 1.00 0.00 N ATOM 132 CZ ARG A 8 10.069 -8.005 -24.741 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.268 -7.502 -25.952 1.00 0.00 N ATOM 134 NH2 ARG A 8 10.924 -8.892 -24.248 1.00 0.00 N ATOM 0 H ARG A 8 6.859 -8.117 -21.409 1.00 0.00 H new ATOM 0 HA ARG A 8 4.639 -6.554 -21.957 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.248 -8.376 -23.790 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.158 -7.120 -24.342 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.555 -5.383 -23.585 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.401 -6.417 -22.451 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.563 -7.024 -25.403 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.531 -5.720 -24.743 1.00 0.00 H new ATOM 0 HE ARG A 8 8.894 -8.031 -23.097 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.613 -6.820 -26.335 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.076 -7.797 -26.500 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.774 -9.282 -23.317 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.731 -9.184 -24.800 1.00 0.00 H new ATOM 148 N THR A 9 4.121 -9.775 -22.462 1.00 0.00 N ATOM 149 CA THR A 9 3.083 -10.778 -22.663 1.00 0.00 C ATOM 150 C THR A 9 2.066 -10.752 -21.527 1.00 0.00 C ATOM 151 O THR A 9 0.870 -10.575 -21.758 1.00 0.00 O ATOM 152 CB THR A 9 3.682 -12.194 -22.766 1.00 0.00 C ATOM 153 OG1 THR A 9 4.872 -12.165 -23.562 1.00 0.00 O ATOM 154 CG2 THR A 9 2.680 -13.162 -23.379 1.00 0.00 C ATOM 0 H THR A 9 5.057 -10.157 -22.328 1.00 0.00 H new ATOM 0 HA THR A 9 2.584 -10.533 -23.601 1.00 0.00 H new ATOM 0 HB THR A 9 3.926 -12.536 -21.760 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.248 -13.068 -23.621 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.125 -14.155 -23.442 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.786 -13.203 -22.756 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.410 -12.822 -24.379 1.00 0.00 H new ATOM 162 N GLU A 10 2.549 -10.927 -20.302 1.00 0.00 N ATOM 163 CA GLU A 10 1.680 -10.923 -19.131 1.00 0.00 C ATOM 164 C GLU A 10 0.961 -9.584 -18.992 1.00 0.00 C ATOM 165 O GLU A 10 -0.056 -9.482 -18.307 1.00 0.00 O ATOM 166 CB GLU A 10 2.490 -11.213 -17.865 1.00 0.00 C ATOM 167 CG GLU A 10 2.728 -12.693 -17.621 1.00 0.00 C ATOM 168 CD GLU A 10 3.407 -12.964 -16.293 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.242 -12.144 -15.365 1.00 0.00 O ATOM 170 OE2 GLU A 10 4.103 -13.995 -16.180 1.00 0.00 O ATOM 0 H GLU A 10 3.537 -11.073 -20.094 1.00 0.00 H new ATOM 0 HA GLU A 10 0.933 -11.706 -19.263 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.452 -10.706 -17.935 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.969 -10.791 -17.006 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.774 -13.220 -17.651 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.341 -13.096 -18.427 1.00 0.00 H new ATOM 177 N ALA A 11 1.499 -8.559 -19.646 1.00 0.00 N ATOM 178 CA ALA A 11 0.909 -7.227 -19.597 1.00 0.00 C ATOM 179 C ALA A 11 -0.584 -7.276 -19.903 1.00 0.00 C ATOM 180 O ALA A 11 -1.355 -6.446 -19.421 1.00 0.00 O ATOM 181 CB ALA A 11 1.620 -6.299 -20.571 1.00 0.00 C ATOM 0 H ALA A 11 2.342 -8.626 -20.216 1.00 0.00 H new ATOM 0 HA ALA A 11 1.033 -6.838 -18.586 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.169 -5.308 -20.524 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.675 -6.231 -20.305 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.526 -6.693 -21.583 1.00 0.00 H new ATOM 187 N LEU A 12 -0.985 -8.253 -20.709 1.00 0.00 N ATOM 188 CA LEU A 12 -2.387 -8.410 -21.082 1.00 0.00 C ATOM 189 C LEU A 12 -3.284 -8.391 -19.848 1.00 0.00 C ATOM 190 O LEU A 12 -4.292 -7.686 -19.812 1.00 0.00 O ATOM 191 CB LEU A 12 -2.588 -9.716 -21.852 1.00 0.00 C ATOM 192 CG LEU A 12 -1.760 -9.877 -23.127 1.00 0.00 C ATOM 193 CD1 LEU A 12 -1.453 -11.344 -23.383 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.488 -9.268 -24.316 1.00 0.00 C ATOM 0 H LEU A 12 -0.360 -8.948 -21.117 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.663 -7.572 -21.722 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.357 -10.547 -21.185 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.643 -9.801 -22.114 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.817 -9.348 -22.993 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.863 -11.439 -24.295 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.890 -11.750 -22.543 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.386 -11.897 -23.496 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.884 -9.392 -25.215 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.447 -9.769 -24.451 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.656 -8.206 -24.135 1.00 0.00 H new ATOM 206 N GLU A 13 -2.908 -9.169 -18.837 1.00 0.00 N ATOM 207 CA GLU A 13 -3.678 -9.240 -17.601 1.00 0.00 C ATOM 208 C GLU A 13 -3.919 -7.846 -17.030 1.00 0.00 C ATOM 209 O GLU A 13 -4.996 -7.554 -16.509 1.00 0.00 O ATOM 210 CB GLU A 13 -2.951 -10.107 -16.571 1.00 0.00 C ATOM 211 CG GLU A 13 -2.942 -11.587 -16.918 1.00 0.00 C ATOM 212 CD GLU A 13 -4.287 -12.248 -16.687 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.865 -12.052 -15.598 1.00 0.00 O ATOM 214 OE2 GLU A 13 -4.762 -12.962 -17.595 1.00 0.00 O ATOM 0 H GLU A 13 -2.076 -9.758 -18.850 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.643 -9.692 -17.829 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.923 -9.758 -16.476 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.424 -9.974 -15.598 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.656 -11.710 -17.962 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.185 -12.092 -16.318 1.00 0.00 H new ATOM 221 N PHE A 14 -2.909 -6.989 -17.130 1.00 0.00 N ATOM 222 CA PHE A 14 -3.009 -5.626 -16.622 1.00 0.00 C ATOM 223 C PHE A 14 -3.968 -4.798 -17.472 1.00 0.00 C ATOM 224 O PHE A 14 -4.857 -4.124 -16.949 1.00 0.00 O ATOM 225 CB PHE A 14 -1.630 -4.965 -16.598 1.00 0.00 C ATOM 226 CG PHE A 14 -1.677 -3.488 -16.325 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.485 -2.982 -15.320 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.913 -2.608 -17.074 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.530 -1.624 -15.068 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.955 -1.248 -16.826 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.764 -0.756 -15.821 1.00 0.00 C ATOM 0 H PHE A 14 -2.011 -7.214 -17.558 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.399 -5.672 -15.605 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.018 -5.448 -15.836 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.138 -5.134 -17.556 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.086 -3.656 -14.727 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.278 -2.988 -17.860 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.164 -1.241 -14.282 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.356 -0.572 -17.418 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.798 0.305 -15.624 1.00 0.00 H new ATOM 241 N LEU A 15 -3.781 -4.852 -18.786 1.00 0.00 N ATOM 242 CA LEU A 15 -4.628 -4.107 -19.711 1.00 0.00 C ATOM 243 C LEU A 15 -6.102 -4.410 -19.464 1.00 0.00 C ATOM 244 O LEU A 15 -6.944 -3.511 -19.483 1.00 0.00 O ATOM 245 CB LEU A 15 -4.261 -4.447 -21.157 1.00 0.00 C ATOM 246 CG LEU A 15 -2.803 -4.212 -21.552 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.523 -4.794 -22.929 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.474 -2.727 -21.522 1.00 0.00 C ATOM 0 H LEU A 15 -3.050 -5.404 -19.235 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.461 -3.043 -19.541 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.500 -5.496 -21.335 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.896 -3.859 -21.820 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.165 -4.719 -20.829 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.480 -4.617 -23.194 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.718 -5.866 -22.917 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.170 -4.316 -23.664 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.432 -2.579 -21.806 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.120 -2.197 -22.222 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.634 -2.339 -20.516 1.00 0.00 H new ATOM 260 N LEU A 16 -6.408 -5.681 -19.229 1.00 0.00 N ATOM 261 CA LEU A 16 -7.781 -6.103 -18.975 1.00 0.00 C ATOM 262 C LEU A 16 -8.162 -5.868 -17.517 1.00 0.00 C ATOM 263 O LEU A 16 -9.334 -5.673 -17.194 1.00 0.00 O ATOM 264 CB LEU A 16 -7.954 -7.582 -19.327 1.00 0.00 C ATOM 265 CG LEU A 16 -8.493 -7.880 -20.727 1.00 0.00 C ATOM 266 CD1 LEU A 16 -8.399 -9.367 -21.030 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.930 -7.396 -20.860 1.00 0.00 C ATOM 0 H LEU A 16 -5.724 -6.437 -19.209 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.441 -5.506 -19.605 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.989 -8.076 -19.218 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.627 -8.032 -18.597 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.882 -7.343 -21.452 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.787 -9.560 -22.030 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.357 -9.684 -20.978 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.985 -9.925 -20.300 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.297 -7.616 -21.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.555 -7.904 -20.125 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.969 -6.320 -20.688 1.00 0.00 H new ATOM 279 N LYS A 17 -7.164 -5.886 -16.640 1.00 0.00 N ATOM 280 CA LYS A 17 -7.393 -5.672 -15.216 1.00 0.00 C ATOM 281 C LYS A 17 -7.966 -4.282 -14.960 1.00 0.00 C ATOM 282 O LYS A 17 -8.988 -4.136 -14.290 1.00 0.00 O ATOM 283 CB LYS A 17 -6.087 -5.847 -14.437 1.00 0.00 C ATOM 284 CG LYS A 17 -6.183 -5.415 -12.984 1.00 0.00 C ATOM 285 CD LYS A 17 -4.855 -5.579 -12.265 1.00 0.00 C ATOM 286 CE LYS A 17 -5.055 -5.900 -10.792 1.00 0.00 C ATOM 287 NZ LYS A 17 -5.940 -4.908 -10.123 1.00 0.00 N ATOM 0 H LYS A 17 -6.188 -6.047 -16.891 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.116 -6.413 -14.874 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.787 -6.894 -14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.301 -5.272 -14.927 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.499 -4.373 -12.933 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.947 -6.005 -12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.280 -6.376 -12.737 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.271 -4.664 -12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.486 -6.896 -10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.088 -5.920 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.814 -4.970 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.694 -3.950 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.932 -5.110 -10.363 1.00 0.00 H new ATOM 301 N ALA A 18 -7.303 -3.264 -15.500 1.00 0.00 N ATOM 302 CA ALA A 18 -7.750 -1.887 -15.333 1.00 0.00 C ATOM 303 C ALA A 18 -9.165 -1.700 -15.869 1.00 0.00 C ATOM 304 O ALA A 18 -9.967 -0.966 -15.290 1.00 0.00 O ATOM 305 CB ALA A 18 -6.789 -0.933 -16.028 1.00 0.00 C ATOM 0 H ALA A 18 -6.455 -3.368 -16.057 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.762 -1.661 -14.267 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.135 0.092 -15.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.794 -1.039 -15.595 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.749 -1.168 -17.092 1.00 0.00 H new ATOM 311 N HIS A 19 -9.466 -2.367 -16.979 1.00 0.00 N ATOM 312 CA HIS A 19 -10.785 -2.274 -17.593 1.00 0.00 C ATOM 313 C HIS A 19 -11.867 -2.765 -16.635 1.00 0.00 C ATOM 314 O HIS A 19 -12.876 -2.093 -16.427 1.00 0.00 O ATOM 315 CB HIS A 19 -10.827 -3.086 -18.888 1.00 0.00 C ATOM 316 CG HIS A 19 -10.402 -2.310 -20.096 1.00 0.00 C ATOM 317 ND1 HIS A 19 -9.457 -1.307 -20.052 1.00 0.00 N ATOM 318 CD2 HIS A 19 -10.798 -2.395 -21.387 1.00 0.00 C ATOM 319 CE1 HIS A 19 -9.292 -0.807 -21.264 1.00 0.00 C ATOM 320 NE2 HIS A 19 -10.093 -1.451 -22.093 1.00 0.00 N ATOM 0 H HIS A 19 -8.814 -2.978 -17.471 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.977 -1.226 -17.824 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.182 -3.958 -18.781 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.841 -3.456 -19.042 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.532 -3.078 -21.788 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.617 -0.008 -21.531 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.175 -1.276 -23.095 1.00 0.00 H new ATOM 328 N GLN A 20 -11.647 -3.941 -16.056 1.00 0.00 N ATOM 329 CA GLN A 20 -12.604 -4.523 -15.122 1.00 0.00 C ATOM 330 C GLN A 20 -12.950 -3.535 -14.012 1.00 0.00 C ATOM 331 O GLN A 20 -14.086 -3.490 -13.538 1.00 0.00 O ATOM 332 CB GLN A 20 -12.041 -5.810 -14.517 1.00 0.00 C ATOM 333 CG GLN A 20 -13.004 -6.510 -13.571 1.00 0.00 C ATOM 334 CD GLN A 20 -14.236 -7.039 -14.279 1.00 0.00 C ATOM 335 OE1 GLN A 20 -15.111 -6.273 -14.683 1.00 0.00 O ATOM 336 NE2 GLN A 20 -14.310 -8.356 -14.433 1.00 0.00 N ATOM 0 H GLN A 20 -10.815 -4.509 -16.217 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.515 -4.757 -15.673 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.775 -6.494 -15.323 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.122 -5.577 -13.980 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.489 -7.336 -13.080 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.309 -5.815 -12.789 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.561 -8.953 -14.082 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.116 -8.770 -14.902 1.00 0.00 H new ATOM 345 N THR A 21 -11.964 -2.744 -13.602 1.00 0.00 N ATOM 346 CA THR A 21 -12.163 -1.758 -12.547 1.00 0.00 C ATOM 347 C THR A 21 -12.856 -0.510 -13.085 1.00 0.00 C ATOM 348 O THR A 21 -13.686 0.092 -12.405 1.00 0.00 O ATOM 349 CB THR A 21 -10.827 -1.350 -11.899 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.965 -2.489 -11.797 1.00 0.00 O ATOM 351 CG2 THR A 21 -11.055 -0.755 -10.518 1.00 0.00 C ATOM 0 H THR A 21 -11.019 -2.767 -13.985 1.00 0.00 H new ATOM 0 HA THR A 21 -12.796 -2.226 -11.793 1.00 0.00 H new ATOM 0 HB THR A 21 -10.358 -0.595 -12.529 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.117 -2.221 -11.386 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.097 -0.474 -10.080 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.688 0.128 -10.602 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.543 -1.492 -9.880 1.00 0.00 H new ATOM 359 N ALA A 22 -12.509 -0.128 -14.310 1.00 0.00 N ATOM 360 CA ALA A 22 -13.100 1.046 -14.939 1.00 0.00 C ATOM 361 C ALA A 22 -14.597 0.857 -15.159 1.00 0.00 C ATOM 362 O ALA A 22 -15.394 1.753 -14.882 1.00 0.00 O ATOM 363 CB ALA A 22 -12.404 1.344 -16.259 1.00 0.00 C ATOM 0 H ALA A 22 -11.822 -0.615 -14.886 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.963 1.894 -14.268 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.856 2.223 -16.718 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.346 1.532 -16.078 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.511 0.490 -16.928 1.00 0.00 H new ATOM 369 N VAL A 23 -14.973 -0.316 -15.660 1.00 0.00 N ATOM 370 CA VAL A 23 -16.375 -0.623 -15.917 1.00 0.00 C ATOM 371 C VAL A 23 -17.187 -0.605 -14.627 1.00 0.00 C ATOM 372 O VAL A 23 -18.377 -0.291 -14.635 1.00 0.00 O ATOM 373 CB VAL A 23 -16.533 -1.998 -16.592 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.984 -2.237 -16.984 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.620 -2.105 -17.804 1.00 0.00 C ATOM 0 H VAL A 23 -14.326 -1.069 -15.896 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.750 0.149 -16.589 1.00 0.00 H new ATOM 0 HB VAL A 23 -16.243 -2.769 -15.878 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.076 -3.213 -17.460 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.611 -2.206 -16.093 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.305 -1.462 -17.681 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.745 -3.083 -18.268 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.877 -1.327 -18.523 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.583 -1.982 -17.491 1.00 0.00 H new ATOM 385 N ASP A 24 -16.536 -0.944 -13.520 1.00 0.00 N ATOM 386 CA ASP A 24 -17.197 -0.965 -12.220 1.00 0.00 C ATOM 387 C ASP A 24 -17.206 0.425 -11.592 1.00 0.00 C ATOM 388 O ASP A 24 -18.069 0.743 -10.774 1.00 0.00 O ATOM 389 CB ASP A 24 -16.500 -1.956 -11.286 1.00 0.00 C ATOM 390 CG ASP A 24 -17.428 -2.490 -10.213 1.00 0.00 C ATOM 391 OD1 ASP A 24 -18.404 -3.186 -10.565 1.00 0.00 O ATOM 392 OD2 ASP A 24 -17.177 -2.214 -9.021 1.00 0.00 O ATOM 0 H ASP A 24 -15.551 -1.208 -13.497 1.00 0.00 H new ATOM 0 HA ASP A 24 -18.229 -1.283 -12.370 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.108 -2.788 -11.871 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.647 -1.468 -10.815 1.00 0.00 H new ATOM 397 N LYS A 25 -16.239 1.250 -11.980 1.00 0.00 N ATOM 398 CA LYS A 25 -16.134 2.607 -11.456 1.00 0.00 C ATOM 399 C LYS A 25 -17.406 3.399 -11.740 1.00 0.00 C ATOM 400 O LYS A 25 -17.929 4.087 -10.863 1.00 0.00 O ATOM 401 CB LYS A 25 -14.928 3.321 -12.069 1.00 0.00 C ATOM 402 CG LYS A 25 -14.405 4.468 -11.221 1.00 0.00 C ATOM 403 CD LYS A 25 -12.923 4.707 -11.460 1.00 0.00 C ATOM 404 CE LYS A 25 -12.393 5.834 -10.588 1.00 0.00 C ATOM 405 NZ LYS A 25 -11.262 6.553 -11.237 1.00 0.00 N ATOM 0 H LYS A 25 -15.516 1.002 -12.656 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.000 2.544 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.127 2.598 -12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.203 3.703 -13.052 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.963 5.376 -11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.574 4.249 -10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.368 3.792 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.757 4.949 -12.510 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.197 6.538 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.064 5.429 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.929 7.314 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.484 5.887 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.582 6.962 -12.138 1.00 0.00 H new ATOM 419 N ILE A 26 -17.899 3.297 -12.970 1.00 0.00 N ATOM 420 CA ILE A 26 -19.110 4.003 -13.368 1.00 0.00 C ATOM 421 C ILE A 26 -20.332 3.449 -12.643 1.00 0.00 C ATOM 422 O ILE A 26 -21.346 4.132 -12.504 1.00 0.00 O ATOM 423 CB ILE A 26 -19.343 3.909 -14.888 1.00 0.00 C ATOM 424 CG1 ILE A 26 -19.403 2.445 -15.327 1.00 0.00 C ATOM 425 CG2 ILE A 26 -18.245 4.648 -15.638 1.00 0.00 C ATOM 426 CD1 ILE A 26 -19.644 2.268 -16.810 1.00 0.00 C ATOM 0 H ILE A 26 -17.478 2.732 -13.708 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.970 5.049 -13.094 1.00 0.00 H new ATOM 0 HB ILE A 26 -20.298 4.379 -15.125 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -18.467 1.955 -15.058 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -20.197 1.941 -14.775 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.423 4.573 -16.711 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.245 5.697 -15.343 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.279 4.204 -15.399 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -19.675 1.205 -17.049 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -20.594 2.729 -17.082 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.838 2.743 -17.369 1.00 0.00 H new ATOM 438 N GLY A 27 -20.227 2.207 -12.181 1.00 0.00 N ATOM 439 CA GLY A 27 -21.330 1.583 -11.474 1.00 0.00 C ATOM 440 C GLY A 27 -22.296 0.883 -12.409 1.00 0.00 C ATOM 441 O GLY A 27 -23.502 0.854 -12.160 1.00 0.00 O ATOM 0 H GLY A 27 -19.398 1.622 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.937 0.862 -10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.867 2.341 -10.903 1.00 0.00 H new ATOM 445 N HIS A 28 -21.767 0.317 -13.489 1.00 0.00 N ATOM 446 CA HIS A 28 -22.591 -0.385 -14.466 1.00 0.00 C ATOM 447 C HIS A 28 -23.127 -1.691 -13.886 1.00 0.00 C ATOM 448 O HIS A 28 -22.566 -2.258 -12.948 1.00 0.00 O ATOM 449 CB HIS A 28 -21.786 -0.669 -15.734 1.00 0.00 C ATOM 450 CG HIS A 28 -22.176 0.191 -16.897 1.00 0.00 C ATOM 451 ND1 HIS A 28 -22.647 1.480 -16.755 1.00 0.00 N ATOM 452 CD2 HIS A 28 -22.161 -0.058 -18.227 1.00 0.00 C ATOM 453 CE1 HIS A 28 -22.906 1.985 -17.947 1.00 0.00 C ATOM 454 NE2 HIS A 28 -22.620 1.072 -18.858 1.00 0.00 N ATOM 0 H HIS A 28 -20.771 0.331 -13.710 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.437 0.255 -14.718 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.727 -0.521 -15.523 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.913 -1.716 -16.008 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -21.847 -0.975 -18.704 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -23.287 2.976 -18.144 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -22.723 1.188 -19.866 1.00 0.00 H new ATOM 462 N PRO A 29 -24.238 -2.180 -14.455 1.00 0.00 N ATOM 463 CA PRO A 29 -24.874 -3.424 -14.011 1.00 0.00 C ATOM 464 C PRO A 29 -24.040 -4.655 -14.352 1.00 0.00 C ATOM 465 O PRO A 29 -22.952 -4.542 -14.916 1.00 0.00 O ATOM 466 CB PRO A 29 -26.196 -3.443 -14.783 1.00 0.00 C ATOM 467 CG PRO A 29 -25.936 -2.620 -15.997 1.00 0.00 C ATOM 468 CD PRO A 29 -24.961 -1.556 -15.577 1.00 0.00 C ATOM 0 HA PRO A 29 -24.997 -3.455 -12.928 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.485 -4.460 -15.048 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -27.008 -3.026 -14.188 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -25.525 -3.230 -16.801 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.858 -2.177 -16.373 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -24.286 -1.286 -16.389 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -25.470 -0.643 -15.269 1.00 0.00 H new ATOM 476 N SER A 30 -24.558 -5.829 -14.005 1.00 0.00 N ATOM 477 CA SER A 30 -23.860 -7.081 -14.272 1.00 0.00 C ATOM 478 C SER A 30 -24.678 -7.972 -15.201 1.00 0.00 C ATOM 479 O SER A 30 -24.494 -9.190 -15.234 1.00 0.00 O ATOM 480 CB SER A 30 -23.571 -7.817 -12.962 1.00 0.00 C ATOM 481 OG SER A 30 -22.712 -8.924 -13.178 1.00 0.00 O ATOM 0 H SER A 30 -25.458 -5.939 -13.538 1.00 0.00 H new ATOM 0 HA SER A 30 -22.916 -6.845 -14.763 1.00 0.00 H new ATOM 0 HB2 SER A 30 -23.113 -7.131 -12.249 1.00 0.00 H new ATOM 0 HB3 SER A 30 -24.506 -8.159 -12.519 1.00 0.00 H new ATOM 0 HG SER A 30 -23.003 -9.414 -13.975 1.00 0.00 H new ATOM 487 N HIS A 31 -25.584 -7.357 -15.955 1.00 0.00 N ATOM 488 CA HIS A 31 -26.431 -8.094 -16.886 1.00 0.00 C ATOM 489 C HIS A 31 -25.587 -8.912 -17.858 1.00 0.00 C ATOM 490 O HIS A 31 -24.386 -8.680 -18.002 1.00 0.00 O ATOM 491 CB HIS A 31 -27.333 -7.132 -17.659 1.00 0.00 C ATOM 492 CG HIS A 31 -28.568 -7.777 -18.207 1.00 0.00 C ATOM 493 ND1 HIS A 31 -29.547 -8.329 -17.407 1.00 0.00 N ATOM 494 CD2 HIS A 31 -28.982 -7.956 -19.483 1.00 0.00 C ATOM 495 CE1 HIS A 31 -30.508 -8.821 -18.168 1.00 0.00 C ATOM 496 NE2 HIS A 31 -30.190 -8.607 -19.432 1.00 0.00 N ATOM 0 H HIS A 31 -25.750 -6.351 -15.939 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.053 -8.778 -16.309 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.623 -6.312 -17.002 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -26.765 -6.697 -18.481 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -28.459 -7.645 -20.375 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.402 -9.314 -17.816 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.751 -8.881 -20.239 1.00 0.00 H new ATOM 504 N LYS A 32 -26.222 -9.871 -18.524 1.00 0.00 N ATOM 505 CA LYS A 32 -25.531 -10.723 -19.484 1.00 0.00 C ATOM 506 C LYS A 32 -24.861 -9.888 -20.570 1.00 0.00 C ATOM 507 O LYS A 32 -25.317 -8.791 -20.890 1.00 0.00 O ATOM 508 CB LYS A 32 -26.511 -11.712 -20.118 1.00 0.00 C ATOM 509 CG LYS A 32 -27.257 -12.563 -19.105 1.00 0.00 C ATOM 510 CD LYS A 32 -28.571 -13.079 -19.669 1.00 0.00 C ATOM 511 CE LYS A 32 -29.594 -13.317 -18.569 1.00 0.00 C ATOM 512 NZ LYS A 32 -29.244 -14.497 -17.731 1.00 0.00 N ATOM 0 H LYS A 32 -27.215 -10.077 -18.416 1.00 0.00 H new ATOM 0 HA LYS A 32 -24.760 -11.278 -18.949 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -27.234 -11.160 -20.719 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -25.965 -12.366 -20.798 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -26.633 -13.405 -18.806 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -27.451 -11.976 -18.208 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -28.967 -12.361 -20.387 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -28.396 -14.008 -20.212 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -29.661 -12.431 -17.938 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -30.578 -13.467 -19.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -29.966 -14.625 -16.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -29.205 -15.348 -18.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -28.317 -14.344 -17.285 1.00 0.00 H new ATOM 526 N GLN A 33 -23.779 -10.416 -21.133 1.00 0.00 N ATOM 527 CA GLN A 33 -23.048 -9.718 -22.184 1.00 0.00 C ATOM 528 C GLN A 33 -23.978 -9.333 -23.331 1.00 0.00 C ATOM 529 O GLN A 33 -25.129 -9.767 -23.383 1.00 0.00 O ATOM 530 CB GLN A 33 -21.908 -10.592 -22.709 1.00 0.00 C ATOM 531 CG GLN A 33 -22.371 -11.934 -23.253 1.00 0.00 C ATOM 532 CD GLN A 33 -21.219 -12.878 -23.536 1.00 0.00 C ATOM 533 OE1 GLN A 33 -20.530 -12.750 -24.549 1.00 0.00 O ATOM 534 NE2 GLN A 33 -21.002 -13.834 -22.639 1.00 0.00 N ATOM 0 H GLN A 33 -23.389 -11.324 -20.879 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.631 -8.806 -21.757 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -21.381 -10.053 -23.496 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.192 -10.763 -21.905 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -23.048 -12.398 -22.536 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -22.938 -11.774 -24.170 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.597 -13.904 -21.814 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -20.240 -14.498 -22.776 1.00 0.00 H new ATOM 543 N THR A 34 -23.471 -8.516 -24.248 1.00 0.00 N ATOM 544 CA THR A 34 -24.256 -8.071 -25.393 1.00 0.00 C ATOM 545 C THR A 34 -23.466 -8.212 -26.689 1.00 0.00 C ATOM 546 O THR A 34 -22.238 -8.289 -26.691 1.00 0.00 O ATOM 547 CB THR A 34 -24.701 -6.605 -25.233 1.00 0.00 C ATOM 548 OG1 THR A 34 -23.746 -5.886 -24.446 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.071 -6.524 -24.576 1.00 0.00 C ATOM 0 H THR A 34 -22.520 -8.149 -24.220 1.00 0.00 H new ATOM 0 HA THR A 34 -25.139 -8.708 -25.438 1.00 0.00 H new ATOM 0 HB THR A 34 -24.764 -6.157 -26.225 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.036 -4.955 -24.351 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.364 -5.479 -24.473 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.802 -7.047 -25.193 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.030 -6.988 -23.590 1.00 0.00 H new ATOM 557 N PRO A 35 -24.186 -8.245 -27.821 1.00 0.00 N ATOM 558 CA PRO A 35 -23.572 -8.376 -29.145 1.00 0.00 C ATOM 559 C PRO A 35 -22.805 -7.123 -29.555 1.00 0.00 C ATOM 560 O PRO A 35 -21.815 -7.200 -30.281 1.00 0.00 O ATOM 561 CB PRO A 35 -24.771 -8.595 -30.072 1.00 0.00 C ATOM 562 CG PRO A 35 -25.919 -7.965 -29.361 1.00 0.00 C ATOM 563 CD PRO A 35 -25.654 -8.158 -27.894 1.00 0.00 C ATOM 0 HA PRO A 35 -22.838 -9.182 -29.176 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.608 -8.134 -31.046 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -24.948 -9.656 -30.247 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.997 -6.906 -29.607 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -26.861 -8.430 -29.652 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.037 -7.326 -27.304 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -26.129 -9.063 -27.515 1.00 0.00 H new ATOM 571 N ALA A 36 -23.270 -5.970 -29.084 1.00 0.00 N ATOM 572 CA ALA A 36 -22.625 -4.701 -29.399 1.00 0.00 C ATOM 573 C ALA A 36 -21.183 -4.680 -28.906 1.00 0.00 C ATOM 574 O ALA A 36 -20.343 -3.958 -29.444 1.00 0.00 O ATOM 575 CB ALA A 36 -23.409 -3.546 -28.793 1.00 0.00 C ATOM 0 H ALA A 36 -24.090 -5.889 -28.483 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.612 -4.588 -30.483 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.916 -2.605 -29.036 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.421 -3.541 -29.198 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.452 -3.664 -27.710 1.00 0.00 H new ATOM 581 N ASP A 37 -20.902 -5.476 -27.880 1.00 0.00 N ATOM 582 CA ASP A 37 -19.560 -5.549 -27.314 1.00 0.00 C ATOM 583 C ASP A 37 -18.536 -5.901 -28.388 1.00 0.00 C ATOM 584 O ASP A 37 -17.362 -5.542 -28.284 1.00 0.00 O ATOM 585 CB ASP A 37 -19.514 -6.584 -26.189 1.00 0.00 C ATOM 586 CG ASP A 37 -18.471 -6.252 -25.139 1.00 0.00 C ATOM 587 OD1 ASP A 37 -17.580 -5.426 -25.428 1.00 0.00 O ATOM 588 OD2 ASP A 37 -18.548 -6.816 -24.028 1.00 0.00 O ATOM 0 H ASP A 37 -21.586 -6.080 -27.423 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.310 -4.569 -26.906 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.494 -6.646 -25.716 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.301 -7.566 -26.611 1.00 0.00 H new ATOM 593 N HIS A 38 -18.987 -6.608 -29.420 1.00 0.00 N ATOM 594 CA HIS A 38 -18.109 -7.009 -30.514 1.00 0.00 C ATOM 595 C HIS A 38 -17.374 -5.803 -31.091 1.00 0.00 C ATOM 596 O HIS A 38 -16.244 -5.921 -31.564 1.00 0.00 O ATOM 597 CB HIS A 38 -18.914 -7.705 -31.612 1.00 0.00 C ATOM 598 CG HIS A 38 -18.062 -8.382 -32.641 1.00 0.00 C ATOM 599 ND1 HIS A 38 -17.286 -7.691 -33.548 1.00 0.00 N ATOM 600 CD2 HIS A 38 -17.864 -9.695 -32.903 1.00 0.00 C ATOM 601 CE1 HIS A 38 -16.650 -8.550 -34.325 1.00 0.00 C ATOM 602 NE2 HIS A 38 -16.983 -9.773 -33.954 1.00 0.00 N ATOM 0 H HIS A 38 -19.954 -6.915 -29.521 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.370 -7.706 -30.118 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.573 -8.443 -31.155 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.551 -6.971 -32.105 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.315 -10.527 -32.382 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.973 -8.295 -35.127 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.642 -10.635 -34.379 1.00 0.00 H new ATOM 610 N ALA A 39 -18.025 -4.645 -31.051 1.00 0.00 N ATOM 611 CA ALA A 39 -17.433 -3.418 -31.569 1.00 0.00 C ATOM 612 C ALA A 39 -16.301 -2.932 -30.669 1.00 0.00 C ATOM 613 O ALA A 39 -15.333 -2.337 -31.141 1.00 0.00 O ATOM 614 CB ALA A 39 -18.496 -2.339 -31.712 1.00 0.00 C ATOM 0 H ALA A 39 -18.962 -4.531 -30.665 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.014 -3.633 -32.552 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.040 -1.428 -32.100 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.269 -2.679 -32.401 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.941 -2.136 -30.738 1.00 0.00 H new ATOM 620 N ALA A 40 -16.431 -3.189 -29.372 1.00 0.00 N ATOM 621 CA ALA A 40 -15.418 -2.779 -28.407 1.00 0.00 C ATOM 622 C ALA A 40 -14.043 -3.309 -28.796 1.00 0.00 C ATOM 623 O ALA A 40 -13.020 -2.706 -28.470 1.00 0.00 O ATOM 624 CB ALA A 40 -15.795 -3.255 -27.012 1.00 0.00 C ATOM 0 H ALA A 40 -17.228 -3.679 -28.965 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.371 -1.690 -28.407 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.030 -2.942 -26.302 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.754 -2.822 -26.727 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.872 -4.342 -27.007 1.00 0.00 H new ATOM 630 N ILE A 41 -14.025 -4.440 -29.493 1.00 0.00 N ATOM 631 CA ILE A 41 -12.774 -5.050 -29.926 1.00 0.00 C ATOM 632 C ILE A 41 -11.923 -4.061 -30.714 1.00 0.00 C ATOM 633 O ILE A 41 -10.696 -4.152 -30.724 1.00 0.00 O ATOM 634 CB ILE A 41 -13.027 -6.297 -30.794 1.00 0.00 C ATOM 635 CG1 ILE A 41 -13.865 -7.320 -30.023 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.708 -6.911 -31.237 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.393 -8.443 -30.889 1.00 0.00 C ATOM 0 H ILE A 41 -14.862 -4.952 -29.770 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.239 -5.347 -29.024 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.582 -5.996 -31.683 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.260 -7.744 -29.222 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.705 -6.809 -29.552 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.904 -7.791 -31.849 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.145 -6.182 -31.819 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.129 -7.201 -30.360 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.977 -9.130 -30.277 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.025 -8.030 -31.675 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.557 -8.979 -31.339 1.00 0.00 H new ATOM 649 N GLU A 42 -12.584 -3.113 -31.373 1.00 0.00 N ATOM 650 CA GLU A 42 -11.887 -2.105 -32.163 1.00 0.00 C ATOM 651 C GLU A 42 -10.823 -1.399 -31.328 1.00 0.00 C ATOM 652 O GLU A 42 -9.778 -1.002 -31.842 1.00 0.00 O ATOM 653 CB GLU A 42 -12.881 -1.081 -32.714 1.00 0.00 C ATOM 654 CG GLU A 42 -13.461 -0.162 -31.652 1.00 0.00 C ATOM 655 CD GLU A 42 -14.722 0.542 -32.115 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.634 -0.145 -32.620 1.00 0.00 O ATOM 657 OE2 GLU A 42 -14.796 1.780 -31.971 1.00 0.00 O ATOM 0 H GLU A 42 -13.600 -3.023 -31.375 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.395 -2.608 -32.995 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.384 -0.477 -33.473 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.696 -1.609 -33.210 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.681 -0.742 -30.756 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.715 0.582 -31.374 1.00 0.00 H new ATOM 664 N ALA A 43 -11.098 -1.246 -30.036 1.00 0.00 N ATOM 665 CA ALA A 43 -10.165 -0.590 -29.129 1.00 0.00 C ATOM 666 C ALA A 43 -9.100 -1.564 -28.637 1.00 0.00 C ATOM 667 O ALA A 43 -7.976 -1.167 -28.328 1.00 0.00 O ATOM 668 CB ALA A 43 -10.913 0.017 -27.951 1.00 0.00 C ATOM 0 H ALA A 43 -11.960 -1.568 -29.595 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.664 0.208 -29.677 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.204 0.504 -27.281 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.631 0.752 -28.315 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.441 -0.769 -27.411 1.00 0.00 H new ATOM 674 N LEU A 44 -9.461 -2.841 -28.567 1.00 0.00 N ATOM 675 CA LEU A 44 -8.536 -3.873 -28.111 1.00 0.00 C ATOM 676 C LEU A 44 -7.345 -3.993 -29.056 1.00 0.00 C ATOM 677 O LEU A 44 -6.258 -4.406 -28.652 1.00 0.00 O ATOM 678 CB LEU A 44 -9.255 -5.219 -28.005 1.00 0.00 C ATOM 679 CG LEU A 44 -9.984 -5.489 -26.689 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.315 -4.754 -26.655 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.192 -6.984 -26.491 1.00 0.00 C ATOM 0 H LEU A 44 -10.387 -3.186 -28.820 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.167 -3.586 -27.126 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.978 -5.287 -28.818 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.524 -6.012 -28.161 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.367 -5.117 -25.871 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.819 -4.958 -25.711 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.141 -3.682 -26.749 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.940 -5.094 -27.481 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.712 -7.157 -25.549 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.788 -7.380 -27.313 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.225 -7.486 -26.469 1.00 0.00 H new ATOM 693 N ASP A 45 -7.557 -3.627 -30.316 1.00 0.00 N ATOM 694 CA ASP A 45 -6.500 -3.689 -31.318 1.00 0.00 C ATOM 695 C ASP A 45 -5.281 -2.887 -30.874 1.00 0.00 C ATOM 696 O ASP A 45 -4.145 -3.347 -30.995 1.00 0.00 O ATOM 697 CB ASP A 45 -7.010 -3.164 -32.661 1.00 0.00 C ATOM 698 CG ASP A 45 -6.015 -3.383 -33.784 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.611 -4.545 -34.002 1.00 0.00 O ATOM 700 OD2 ASP A 45 -5.640 -2.393 -34.446 1.00 0.00 O ATOM 0 H ASP A 45 -8.451 -3.284 -30.667 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.203 -4.732 -31.433 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.948 -3.660 -32.909 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.226 -2.099 -32.573 1.00 0.00 H new ATOM 705 N ARG A 46 -5.525 -1.686 -30.360 1.00 0.00 N ATOM 706 CA ARG A 46 -4.447 -0.819 -29.900 1.00 0.00 C ATOM 707 C ARG A 46 -3.607 -1.515 -28.833 1.00 0.00 C ATOM 708 O ARG A 46 -2.376 -1.508 -28.894 1.00 0.00 O ATOM 709 CB ARG A 46 -5.017 0.487 -29.343 1.00 0.00 C ATOM 710 CG ARG A 46 -4.040 1.651 -29.400 1.00 0.00 C ATOM 711 CD ARG A 46 -4.753 2.984 -29.235 1.00 0.00 C ATOM 712 NE ARG A 46 -3.828 4.059 -28.883 1.00 0.00 N ATOM 713 CZ ARG A 46 -4.166 5.343 -28.868 1.00 0.00 C ATOM 714 NH1 ARG A 46 -5.400 5.711 -29.183 1.00 0.00 N ATOM 715 NH2 ARG A 46 -3.268 6.263 -28.537 1.00 0.00 N ATOM 0 H ARG A 46 -6.459 -1.291 -30.252 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.807 -0.594 -30.753 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.915 0.750 -29.902 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.321 0.329 -28.308 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.291 1.538 -28.616 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.509 1.636 -30.352 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.267 3.237 -30.162 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.516 2.894 -28.461 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.871 3.809 -28.635 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.093 5.007 -29.438 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.657 6.698 -29.171 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.318 5.984 -28.294 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.528 7.249 -28.526 1.00 0.00 H new ATOM 729 N LEU A 47 -4.278 -2.115 -27.857 1.00 0.00 N ATOM 730 CA LEU A 47 -3.594 -2.816 -26.776 1.00 0.00 C ATOM 731 C LEU A 47 -2.753 -3.967 -27.320 1.00 0.00 C ATOM 732 O LEU A 47 -1.538 -4.008 -27.125 1.00 0.00 O ATOM 733 CB LEU A 47 -4.610 -3.346 -25.762 1.00 0.00 C ATOM 734 CG LEU A 47 -5.701 -2.366 -25.331 1.00 0.00 C ATOM 735 CD1 LEU A 47 -6.652 -3.026 -24.344 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.084 -1.114 -24.724 1.00 0.00 C ATOM 0 H LEU A 47 -5.296 -2.130 -27.792 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.930 -2.108 -26.280 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.089 -4.229 -26.185 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.070 -3.672 -24.873 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.270 -2.075 -26.214 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.422 -2.313 -24.048 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.120 -3.892 -24.813 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.097 -3.347 -23.463 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.875 -0.428 -24.423 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.490 -1.387 -23.852 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.444 -0.629 -25.462 1.00 0.00 H new ATOM 748 N LEU A 48 -3.408 -4.899 -28.004 1.00 0.00 N ATOM 749 CA LEU A 48 -2.720 -6.051 -28.578 1.00 0.00 C ATOM 750 C LEU A 48 -1.532 -5.608 -29.426 1.00 0.00 C ATOM 751 O LEU A 48 -0.405 -6.060 -29.219 1.00 0.00 O ATOM 752 CB LEU A 48 -3.689 -6.876 -29.428 1.00 0.00 C ATOM 753 CG LEU A 48 -4.951 -7.369 -28.719 1.00 0.00 C ATOM 754 CD1 LEU A 48 -5.918 -7.984 -29.718 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.594 -8.373 -27.632 1.00 0.00 C ATOM 0 H LEU A 48 -4.413 -4.880 -28.175 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.349 -6.667 -27.759 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.990 -6.275 -30.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.153 -7.742 -29.817 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.439 -6.514 -28.250 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.810 -8.329 -29.196 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.199 -7.237 -30.460 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.440 -8.828 -30.215 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.504 -8.713 -27.138 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.083 -9.226 -28.078 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.939 -7.900 -26.900 1.00 0.00 H new ATOM 767 N LEU A 49 -1.791 -4.720 -30.380 1.00 0.00 N ATOM 768 CA LEU A 49 -0.742 -4.214 -31.258 1.00 0.00 C ATOM 769 C LEU A 49 0.411 -3.629 -30.449 1.00 0.00 C ATOM 770 O LEU A 49 1.579 -3.909 -30.721 1.00 0.00 O ATOM 771 CB LEU A 49 -1.309 -3.151 -32.202 1.00 0.00 C ATOM 772 CG LEU A 49 -0.444 -2.799 -33.412 1.00 0.00 C ATOM 773 CD1 LEU A 49 -1.309 -2.302 -34.560 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.599 -1.756 -33.038 1.00 0.00 C ATOM 0 H LEU A 49 -2.718 -4.336 -30.565 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.361 -5.049 -31.847 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.279 -3.493 -32.561 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.484 -2.241 -31.629 1.00 0.00 H new ATOM 0 HG LEU A 49 0.074 -3.701 -33.738 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.676 -2.056 -35.413 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.017 -3.080 -34.846 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.855 -1.413 -34.245 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.205 -1.518 -33.912 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.100 -0.853 -32.685 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.239 -2.149 -32.248 1.00 0.00 H new ATOM 786 N ASP A 50 0.076 -2.817 -29.453 1.00 0.00 N ATOM 787 CA ASP A 50 1.083 -2.194 -28.601 1.00 0.00 C ATOM 788 C ASP A 50 2.007 -3.246 -27.995 1.00 0.00 C ATOM 789 O ASP A 50 3.230 -3.149 -28.103 1.00 0.00 O ATOM 790 CB ASP A 50 0.413 -1.386 -27.490 1.00 0.00 C ATOM 791 CG ASP A 50 0.023 0.008 -27.942 1.00 0.00 C ATOM 792 OD1 ASP A 50 0.674 0.534 -28.868 1.00 0.00 O ATOM 793 OD2 ASP A 50 -0.932 0.573 -27.369 1.00 0.00 O ATOM 0 H ASP A 50 -0.886 -2.574 -29.215 1.00 0.00 H new ATOM 0 HA ASP A 50 1.680 -1.523 -29.218 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.476 -1.915 -27.145 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.090 -1.313 -26.639 1.00 0.00 H new ATOM 798 N VAL A 51 1.415 -4.251 -27.358 1.00 0.00 N ATOM 799 CA VAL A 51 2.185 -5.321 -26.734 1.00 0.00 C ATOM 800 C VAL A 51 3.103 -5.997 -27.745 1.00 0.00 C ATOM 801 O VAL A 51 4.304 -6.136 -27.513 1.00 0.00 O ATOM 802 CB VAL A 51 1.263 -6.382 -26.104 1.00 0.00 C ATOM 803 CG1 VAL A 51 2.084 -7.500 -25.480 1.00 0.00 C ATOM 804 CG2 VAL A 51 0.344 -5.744 -25.073 1.00 0.00 C ATOM 0 H VAL A 51 0.404 -4.347 -27.260 1.00 0.00 H new ATOM 0 HA VAL A 51 2.787 -4.863 -25.950 1.00 0.00 H new ATOM 0 HB VAL A 51 0.644 -6.814 -26.890 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.416 -8.240 -25.040 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.696 -7.974 -26.248 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.730 -7.088 -24.705 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.300 -6.508 -24.638 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.943 -5.284 -24.287 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.270 -4.983 -25.554 1.00 0.00 H new ATOM 814 N ARG A 52 2.531 -6.417 -28.869 1.00 0.00 N ATOM 815 CA ARG A 52 3.298 -7.080 -29.916 1.00 0.00 C ATOM 816 C ARG A 52 4.440 -6.191 -30.399 1.00 0.00 C ATOM 817 O ARG A 52 5.509 -6.679 -30.763 1.00 0.00 O ATOM 818 CB ARG A 52 2.389 -7.444 -31.092 1.00 0.00 C ATOM 819 CG ARG A 52 3.081 -8.270 -32.163 1.00 0.00 C ATOM 820 CD ARG A 52 2.097 -9.173 -32.892 1.00 0.00 C ATOM 821 NE ARG A 52 1.923 -10.454 -32.213 1.00 0.00 N ATOM 822 CZ ARG A 52 1.068 -11.388 -32.614 1.00 0.00 C ATOM 823 NH1 ARG A 52 0.314 -11.185 -33.685 1.00 0.00 N ATOM 824 NH2 ARG A 52 0.967 -12.528 -31.943 1.00 0.00 N ATOM 0 H ARG A 52 1.538 -6.310 -29.078 1.00 0.00 H new ATOM 0 HA ARG A 52 3.722 -7.993 -29.498 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.528 -7.998 -30.717 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.007 -6.528 -31.542 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.567 -7.607 -32.879 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.864 -8.876 -31.707 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.133 -8.670 -32.970 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.449 -9.347 -33.909 1.00 0.00 H new ATOM 0 HE ARG A 52 2.489 -10.642 -31.385 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.390 -10.310 -34.203 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.342 -11.904 -33.991 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.546 -12.688 -31.119 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.310 -13.245 -32.251 1.00 0.00 H new ATOM 838 N ALA A 53 4.205 -4.883 -30.401 1.00 0.00 N ATOM 839 CA ALA A 53 5.214 -3.925 -30.837 1.00 0.00 C ATOM 840 C ALA A 53 6.275 -3.717 -29.762 1.00 0.00 C ATOM 841 O ALA A 53 7.319 -3.117 -30.015 1.00 0.00 O ATOM 842 CB ALA A 53 4.561 -2.600 -31.201 1.00 0.00 C ATOM 0 H ALA A 53 3.324 -4.462 -30.105 1.00 0.00 H new ATOM 0 HA ALA A 53 5.706 -4.330 -31.721 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.326 -1.894 -31.525 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.846 -2.756 -32.009 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.042 -2.199 -30.330 1.00 0.00 H new ATOM 848 N ARG A 54 6.000 -4.217 -28.562 1.00 0.00 N ATOM 849 CA ARG A 54 6.931 -4.084 -27.447 1.00 0.00 C ATOM 850 C ARG A 54 7.135 -2.616 -27.081 1.00 0.00 C ATOM 851 O ARG A 54 8.266 -2.138 -26.998 1.00 0.00 O ATOM 852 CB ARG A 54 8.275 -4.724 -27.798 1.00 0.00 C ATOM 853 CG ARG A 54 8.147 -6.095 -28.442 1.00 0.00 C ATOM 854 CD ARG A 54 9.496 -6.621 -28.905 1.00 0.00 C ATOM 855 NE ARG A 54 9.798 -6.222 -30.277 1.00 0.00 N ATOM 856 CZ ARG A 54 10.974 -6.426 -30.860 1.00 0.00 C ATOM 857 NH1 ARG A 54 11.953 -7.022 -30.195 1.00 0.00 N ATOM 858 NH2 ARG A 54 11.172 -6.034 -32.112 1.00 0.00 N ATOM 0 H ARG A 54 5.140 -4.718 -28.337 1.00 0.00 H new ATOM 0 HA ARG A 54 6.504 -4.600 -26.587 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.817 -4.063 -28.475 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.874 -4.812 -26.891 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.708 -6.793 -27.729 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.467 -6.037 -29.292 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.277 -6.252 -28.240 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.505 -7.709 -28.834 1.00 0.00 H new ATOM 0 HE ARG A 54 9.066 -5.761 -30.817 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.805 -7.326 -29.233 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.855 -7.177 -30.646 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.421 -5.576 -32.628 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.075 -6.191 -32.559 1.00 0.00 H new ATOM 872 N ARG A 55 6.032 -1.907 -26.865 1.00 0.00 N ATOM 873 CA ARG A 55 6.089 -0.494 -26.510 1.00 0.00 C ATOM 874 C ARG A 55 5.363 -0.235 -25.193 1.00 0.00 C ATOM 875 O ARG A 55 4.879 0.870 -24.947 1.00 0.00 O ATOM 876 CB ARG A 55 5.473 0.358 -27.621 1.00 0.00 C ATOM 877 CG ARG A 55 6.224 0.275 -28.940 1.00 0.00 C ATOM 878 CD ARG A 55 7.349 1.295 -29.006 1.00 0.00 C ATOM 879 NE ARG A 55 8.100 1.202 -30.256 1.00 0.00 N ATOM 880 CZ ARG A 55 7.614 1.576 -31.434 1.00 0.00 C ATOM 881 NH1 ARG A 55 6.385 2.066 -31.523 1.00 0.00 N ATOM 882 NH2 ARG A 55 8.358 1.461 -32.526 1.00 0.00 N ATOM 0 H ARG A 55 5.088 -2.288 -26.930 1.00 0.00 H new ATOM 0 HA ARG A 55 7.136 -0.217 -26.388 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.442 0.043 -27.779 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.442 1.398 -27.295 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.633 -0.728 -29.065 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.532 0.442 -29.765 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.935 2.298 -28.906 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.025 1.144 -28.165 1.00 0.00 H new ATOM 0 HE ARG A 55 9.049 0.830 -30.222 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.810 2.157 -30.685 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.015 2.352 -32.429 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.304 1.085 -32.461 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.984 1.748 -33.430 1.00 0.00 H new ATOM 896 N VAL A 56 5.291 -1.260 -24.351 1.00 0.00 N ATOM 897 CA VAL A 56 4.626 -1.143 -23.059 1.00 0.00 C ATOM 898 C VAL A 56 5.597 -0.677 -21.980 1.00 0.00 C ATOM 899 O VAL A 56 6.712 -1.187 -21.872 1.00 0.00 O ATOM 900 CB VAL A 56 4.000 -2.483 -22.627 1.00 0.00 C ATOM 901 CG1 VAL A 56 3.197 -2.309 -21.347 1.00 0.00 C ATOM 902 CG2 VAL A 56 3.131 -3.048 -23.739 1.00 0.00 C ATOM 0 H VAL A 56 5.685 -2.181 -24.540 1.00 0.00 H new ATOM 0 HA VAL A 56 3.836 -0.402 -23.176 1.00 0.00 H new ATOM 0 HB VAL A 56 4.803 -3.193 -22.430 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.762 -3.266 -21.057 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.852 -1.952 -20.552 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.400 -1.584 -21.513 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.697 -3.994 -23.416 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.333 -2.343 -23.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.739 -3.212 -24.628 1.00 0.00 H new ATOM 912 N ASP A 57 5.165 0.295 -21.184 1.00 0.00 N ATOM 913 CA ASP A 57 5.996 0.831 -20.112 1.00 0.00 C ATOM 914 C ASP A 57 5.297 0.694 -18.763 1.00 0.00 C ATOM 915 O ASP A 57 4.165 0.217 -18.686 1.00 0.00 O ATOM 916 CB ASP A 57 6.329 2.299 -20.381 1.00 0.00 C ATOM 917 CG ASP A 57 7.670 2.704 -19.801 1.00 0.00 C ATOM 918 OD1 ASP A 57 8.707 2.380 -20.418 1.00 0.00 O ATOM 919 OD2 ASP A 57 7.683 3.345 -18.729 1.00 0.00 O ATOM 0 H ASP A 57 4.245 0.728 -21.261 1.00 0.00 H new ATOM 0 HA ASP A 57 6.922 0.257 -20.082 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.333 2.476 -21.456 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.548 2.929 -19.957 1.00 0.00 H new ATOM 924 N GLN A 58 5.980 1.113 -17.703 1.00 0.00 N ATOM 925 CA GLN A 58 5.425 1.035 -16.357 1.00 0.00 C ATOM 926 C GLN A 58 4.765 2.353 -15.963 1.00 0.00 C ATOM 927 O GLN A 58 5.206 3.427 -16.374 1.00 0.00 O ATOM 928 CB GLN A 58 6.520 0.678 -15.350 1.00 0.00 C ATOM 929 CG GLN A 58 7.617 1.726 -15.248 1.00 0.00 C ATOM 930 CD GLN A 58 8.747 1.484 -16.229 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.674 0.588 -17.070 1.00 0.00 O ATOM 932 NE2 GLN A 58 9.802 2.284 -16.125 1.00 0.00 N ATOM 0 H GLN A 58 6.918 1.510 -17.750 1.00 0.00 H new ATOM 0 HA GLN A 58 4.666 0.253 -16.349 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.068 0.540 -14.368 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.965 -0.276 -15.633 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.190 2.713 -15.428 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.016 1.731 -14.234 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.820 3.014 -15.413 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.594 2.168 -16.757 1.00 0.00 H new ATOM 941 N PHE A 59 3.707 2.263 -15.165 1.00 0.00 N ATOM 942 CA PHE A 59 2.985 3.449 -14.716 1.00 0.00 C ATOM 943 C PHE A 59 1.979 3.093 -13.626 1.00 0.00 C ATOM 944 O PHE A 59 1.711 1.918 -13.374 1.00 0.00 O ATOM 945 CB PHE A 59 2.266 4.110 -15.893 1.00 0.00 C ATOM 946 CG PHE A 59 2.090 5.593 -15.733 1.00 0.00 C ATOM 947 CD1 PHE A 59 3.192 6.432 -15.680 1.00 0.00 C ATOM 948 CD2 PHE A 59 0.825 6.148 -15.634 1.00 0.00 C ATOM 949 CE1 PHE A 59 3.033 7.797 -15.532 1.00 0.00 C ATOM 950 CE2 PHE A 59 0.660 7.512 -15.486 1.00 0.00 C ATOM 951 CZ PHE A 59 1.766 8.338 -15.435 1.00 0.00 C ATOM 0 H PHE A 59 3.330 1.382 -14.816 1.00 0.00 H new ATOM 0 HA PHE A 59 3.710 4.150 -14.302 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.828 3.916 -16.807 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.287 3.647 -16.016 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.185 6.015 -15.755 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.043 5.507 -15.673 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.899 8.440 -15.492 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.332 7.932 -15.410 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.640 9.404 -15.320 1.00 0.00 H new ATOM 961 N GLN A 60 1.426 4.116 -12.982 1.00 0.00 N ATOM 962 CA GLN A 60 0.451 3.911 -11.918 1.00 0.00 C ATOM 963 C GLN A 60 -0.583 5.033 -11.903 1.00 0.00 C ATOM 964 O GLN A 60 -0.232 6.213 -11.916 1.00 0.00 O ATOM 965 CB GLN A 60 1.153 3.831 -10.562 1.00 0.00 C ATOM 966 CG GLN A 60 1.791 5.142 -10.129 1.00 0.00 C ATOM 967 CD GLN A 60 0.844 6.016 -9.330 1.00 0.00 C ATOM 968 OE1 GLN A 60 0.632 7.183 -9.658 1.00 0.00 O ATOM 969 NE2 GLN A 60 0.267 5.453 -8.274 1.00 0.00 N ATOM 0 H GLN A 60 1.637 5.094 -13.179 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.064 2.969 -12.109 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.431 3.521 -9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.921 3.059 -10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.677 4.930 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.126 5.688 -11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.472 4.482 -8.038 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.381 5.992 -7.699 1.00 0.00 H new ATOM 978 N ILE A 61 -1.857 4.656 -11.877 1.00 0.00 N ATOM 979 CA ILE A 61 -2.940 5.631 -11.860 1.00 0.00 C ATOM 980 C ILE A 61 -3.144 6.202 -10.461 1.00 0.00 C ATOM 981 O ILE A 61 -3.249 7.415 -10.284 1.00 0.00 O ATOM 982 CB ILE A 61 -4.263 5.010 -12.347 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.099 4.448 -13.760 1.00 0.00 C ATOM 984 CG2 ILE A 61 -5.379 6.044 -12.309 1.00 0.00 C ATOM 985 CD1 ILE A 61 -5.221 3.524 -14.177 1.00 0.00 C ATOM 0 H ILE A 61 -2.164 3.683 -11.867 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.653 6.434 -12.539 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.530 4.191 -11.679 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.039 5.276 -14.467 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.154 3.909 -13.820 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.307 5.590 -12.656 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.509 6.401 -11.288 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.121 6.882 -12.956 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.038 3.164 -15.189 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.268 2.677 -13.493 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.167 4.065 -14.150 1.00 0.00 H new ATOM 997 N ASN A 62 -3.197 5.319 -9.469 1.00 0.00 N ATOM 998 CA ASN A 62 -3.387 5.735 -8.084 1.00 0.00 C ATOM 999 C ASN A 62 -3.112 4.580 -7.126 1.00 0.00 C ATOM 1000 O ASN A 62 -3.125 3.415 -7.523 1.00 0.00 O ATOM 1001 CB ASN A 62 -4.810 6.256 -7.877 1.00 0.00 C ATOM 1002 CG ASN A 62 -4.933 7.128 -6.642 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -5.134 6.630 -5.535 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -4.812 8.438 -6.829 1.00 0.00 N ATOM 0 H ASN A 62 -3.111 4.311 -9.598 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.679 6.536 -7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.116 6.827 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.494 5.412 -7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.885 9.075 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.646 8.806 -7.766 1.00 0.00 H new ATOM 1011 N ALA A 63 -2.863 4.912 -5.864 1.00 0.00 N ATOM 1012 CA ALA A 63 -2.587 3.903 -4.849 1.00 0.00 C ATOM 1013 C ALA A 63 -3.839 3.581 -4.041 1.00 0.00 C ATOM 1014 O ALA A 63 -3.762 3.291 -2.847 1.00 0.00 O ATOM 1015 CB ALA A 63 -1.469 4.371 -3.929 1.00 0.00 C ATOM 0 H ALA A 63 -2.847 5.872 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.268 2.992 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.274 3.607 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.565 4.544 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.766 5.298 -3.438 1.00 0.00 H new ATOM 1021 N SER A 64 -4.993 3.634 -4.699 1.00 0.00 N ATOM 1022 CA SER A 64 -6.263 3.352 -4.040 1.00 0.00 C ATOM 1023 C SER A 64 -6.895 2.081 -4.600 1.00 0.00 C ATOM 1024 O SER A 64 -7.625 1.378 -3.902 1.00 0.00 O ATOM 1025 CB SER A 64 -7.223 4.531 -4.211 1.00 0.00 C ATOM 1026 OG SER A 64 -8.236 4.510 -3.221 1.00 0.00 O ATOM 0 H SER A 64 -5.074 3.870 -5.688 1.00 0.00 H new ATOM 0 HA SER A 64 -6.068 3.202 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.669 5.468 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.677 4.494 -5.201 1.00 0.00 H new ATOM 0 HG SER A 64 -8.836 5.274 -3.351 1.00 0.00 H new ATOM 1032 N ALA A 65 -6.608 1.793 -5.865 1.00 0.00 N ATOM 1033 CA ALA A 65 -7.146 0.607 -6.520 1.00 0.00 C ATOM 1034 C ALA A 65 -6.106 -0.506 -6.579 1.00 0.00 C ATOM 1035 O ALA A 65 -6.222 -1.515 -5.884 1.00 0.00 O ATOM 1036 CB ALA A 65 -7.634 0.952 -7.919 1.00 0.00 C ATOM 0 H ALA A 65 -6.006 2.365 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.991 0.248 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.033 0.057 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.416 1.709 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.803 1.338 -8.509 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.090 -0.316 -7.415 1.00 0.00 N ATOM 1043 CA ALA A 66 -4.028 -1.304 -7.564 1.00 0.00 C ATOM 1044 C ALA A 66 -2.870 -0.745 -8.383 1.00 0.00 C ATOM 1045 O ALA A 66 -2.943 0.370 -8.898 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.572 -2.569 -8.211 1.00 0.00 C ATOM 0 H ALA A 66 -4.980 0.513 -7.999 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.651 -1.550 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.769 -3.298 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.362 -2.987 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.976 -2.330 -9.195 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.801 -1.527 -8.497 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.626 -1.108 -9.253 1.00 0.00 C ATOM 1054 C GLN A 67 -0.053 -2.271 -10.057 1.00 0.00 C ATOM 1055 O GLN A 67 -0.075 -3.418 -9.609 1.00 0.00 O ATOM 1056 CB GLN A 67 0.441 -0.551 -8.309 1.00 0.00 C ATOM 1057 CG GLN A 67 0.298 0.939 -8.042 1.00 0.00 C ATOM 1058 CD GLN A 67 1.623 1.606 -7.729 1.00 0.00 C ATOM 1059 OE1 GLN A 67 1.793 2.208 -6.668 1.00 0.00 O ATOM 1060 NE2 GLN A 67 2.572 1.501 -8.652 1.00 0.00 N ATOM 0 H GLN A 67 -1.724 -2.453 -8.076 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.932 -0.325 -9.948 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.392 -1.088 -7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.426 -0.743 -8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.149 1.419 -8.913 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.387 1.091 -7.208 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.388 0.993 -9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.485 1.928 -8.496 1.00 0.00 H new ATOM 1069 N ILE A 68 0.458 -1.966 -11.245 1.00 0.00 N ATOM 1070 CA ILE A 68 1.037 -2.986 -12.110 1.00 0.00 C ATOM 1071 C ILE A 68 2.278 -2.461 -12.825 1.00 0.00 C ATOM 1072 O ILE A 68 2.184 -1.601 -13.701 1.00 0.00 O ATOM 1073 CB ILE A 68 0.023 -3.476 -13.160 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.212 -4.063 -12.473 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.665 -4.505 -14.078 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.257 -3.028 -12.120 1.00 0.00 C ATOM 0 H ILE A 68 0.483 -1.022 -11.630 1.00 0.00 H new ATOM 0 HA ILE A 68 1.316 -3.822 -11.468 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.291 -2.625 -13.765 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.660 -4.811 -13.127 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.902 -4.578 -11.564 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.065 -4.841 -14.814 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.516 -4.055 -14.590 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.005 -5.357 -13.489 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.103 -3.516 -11.636 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.826 -2.292 -11.441 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.596 -2.529 -13.028 1.00 0.00 H new ATOM 1088 N ILE A 69 3.439 -2.985 -12.446 1.00 0.00 N ATOM 1089 CA ILE A 69 4.697 -2.571 -13.053 1.00 0.00 C ATOM 1090 C ILE A 69 5.028 -3.426 -14.271 1.00 0.00 C ATOM 1091 O ILE A 69 4.759 -4.627 -14.292 1.00 0.00 O ATOM 1092 CB ILE A 69 5.862 -2.657 -12.048 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.577 -1.780 -10.828 1.00 0.00 C ATOM 1094 CG2 ILE A 69 7.166 -2.242 -12.713 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.777 -2.482 -9.753 1.00 0.00 C ATOM 0 H ILE A 69 3.534 -3.697 -11.722 1.00 0.00 H new ATOM 0 HA ILE A 69 4.571 -1.534 -13.364 1.00 0.00 H new ATOM 0 HB ILE A 69 5.960 -3.690 -11.714 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.523 -1.443 -10.404 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.036 -0.890 -11.149 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.980 -2.308 -11.991 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.373 -2.904 -13.554 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.081 -1.216 -13.072 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.612 -1.800 -8.918 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.816 -2.795 -10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.326 -3.357 -9.404 1.00 0.00 H new ATOM 1107 N VAL A 70 5.614 -2.799 -15.286 1.00 0.00 N ATOM 1108 CA VAL A 70 5.985 -3.503 -16.508 1.00 0.00 C ATOM 1109 C VAL A 70 7.500 -3.621 -16.636 1.00 0.00 C ATOM 1110 O VAL A 70 8.188 -2.645 -16.936 1.00 0.00 O ATOM 1111 CB VAL A 70 5.430 -2.791 -17.756 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.853 -3.522 -19.021 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.915 -2.681 -17.676 1.00 0.00 C ATOM 0 H VAL A 70 5.842 -1.805 -15.286 1.00 0.00 H new ATOM 0 HA VAL A 70 5.550 -4.500 -16.443 1.00 0.00 H new ATOM 0 HB VAL A 70 5.844 -1.783 -17.792 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.451 -3.004 -19.892 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.941 -3.544 -19.082 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.470 -4.542 -18.997 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.539 -2.175 -18.566 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.480 -3.679 -17.615 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.638 -2.110 -16.790 1.00 0.00 H new ATOM 1123 N THR A 71 8.015 -4.825 -16.407 1.00 0.00 N ATOM 1124 CA THR A 71 9.449 -5.073 -16.496 1.00 0.00 C ATOM 1125 C THR A 71 9.778 -5.981 -17.675 1.00 0.00 C ATOM 1126 O THR A 71 9.681 -7.205 -17.573 1.00 0.00 O ATOM 1127 CB THR A 71 9.990 -5.711 -15.203 1.00 0.00 C ATOM 1128 OG1 THR A 71 11.326 -6.183 -15.411 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.103 -6.864 -14.757 1.00 0.00 C ATOM 0 H THR A 71 7.460 -5.644 -16.158 1.00 0.00 H new ATOM 0 HA THR A 71 9.929 -4.105 -16.642 1.00 0.00 H new ATOM 0 HB THR A 71 9.992 -4.951 -14.422 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.663 -6.586 -14.584 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.505 -7.299 -13.842 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.094 -6.496 -14.571 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.074 -7.624 -15.538 1.00 0.00 H new ATOM 1137 N ASP A 72 10.167 -5.377 -18.791 1.00 0.00 N ATOM 1138 CA ASP A 72 10.513 -6.132 -19.990 1.00 0.00 C ATOM 1139 C ASP A 72 11.866 -6.818 -19.828 1.00 0.00 C ATOM 1140 O ASP A 72 12.231 -7.687 -20.622 1.00 0.00 O ATOM 1141 CB ASP A 72 10.537 -5.211 -21.210 1.00 0.00 C ATOM 1142 CG ASP A 72 11.522 -4.069 -21.055 1.00 0.00 C ATOM 1143 OD1 ASP A 72 12.707 -4.257 -21.401 1.00 0.00 O ATOM 1144 OD2 ASP A 72 11.108 -2.988 -20.585 1.00 0.00 O ATOM 0 H ASP A 72 10.251 -4.365 -18.891 1.00 0.00 H new ATOM 0 HA ASP A 72 9.752 -6.898 -20.139 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.796 -5.792 -22.095 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.539 -4.806 -21.375 1.00 0.00 H new TER 1149 ASP A 72