USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 LYS NZ :NH3+ 161:sc= 2.37 (180deg=0.831) USER MOD Set 1.2: A 92 ASN : amide:sc= 1.05 K(o=3.4,f=-7.3!) USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0.0212 USER MOD Set 2.2: A 76 ASN : amide:sc= 0.0218 X(o=0.043,f=0.00091) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.263 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.0068 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= 0.533 (180deg=0.051) USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= 3.03 (180deg=1.81!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 17 HIS : no HD1:sc= -10.6! C(o=-10!,f=-11!) USER MOD Single : A 20 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= -0.0132 (180deg=-0.141) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 35 SER OG : rot -10:sc= 1.12 USER MOD Single : A 42 GLN : amide:sc= -0.189 K(o=-0.19,f=-0.82) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0118) USER MOD Single : A 49 THR OG1 : rot -160:sc= -0.569 USER MOD Single : A 51 SER OG : rot -27:sc= 0.383 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00483 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00613 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -157:sc= -0.228 (180deg=-0.831) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0102 (180deg=-0.174) USER MOD Single : A 94 MET CE :methyl -157:sc= -0.207 (180deg=-0.987) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.044 -15.839 12.874 1.00 0.00 N ATOM 2 CA MET A 1 6.161 -15.127 11.928 1.00 0.00 C ATOM 3 C MET A 1 5.972 -15.960 10.668 1.00 0.00 C ATOM 4 O MET A 1 6.933 -16.523 10.140 1.00 0.00 O ATOM 5 CB MET A 1 6.734 -13.745 11.571 1.00 0.00 C ATOM 6 CG MET A 1 8.081 -13.789 10.860 1.00 0.00 C ATOM 7 SD MET A 1 8.608 -12.173 10.246 1.00 0.00 S ATOM 8 CE MET A 1 7.269 -11.789 9.120 1.00 0.00 C ATOM 0 H1 MET A 1 7.571 -15.147 13.445 1.00 0.00 H new ATOM 0 H2 MET A 1 6.470 -16.439 13.500 1.00 0.00 H new ATOM 0 H3 MET A 1 7.714 -16.432 12.344 1.00 0.00 H new ATOM 0 HA MET A 1 5.194 -14.978 12.407 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.019 -13.221 10.937 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.838 -13.161 12.485 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.835 -14.175 11.546 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.022 -14.487 10.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.622 -11.095 8.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.921 -12.705 8.643 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.448 -11.333 9.673 1.00 0.00 H new ATOM 18 N PRO A 2 4.732 -16.074 10.177 1.00 0.00 N ATOM 19 CA PRO A 2 4.438 -16.770 8.935 1.00 0.00 C ATOM 20 C PRO A 2 4.767 -15.902 7.727 1.00 0.00 C ATOM 21 O PRO A 2 3.994 -15.017 7.354 1.00 0.00 O ATOM 22 CB PRO A 2 2.926 -17.045 9.006 1.00 0.00 C ATOM 23 CG PRO A 2 2.485 -16.558 10.352 1.00 0.00 C ATOM 24 CD PRO A 2 3.509 -15.552 10.790 1.00 0.00 C ATOM 0 HA PRO A 2 5.028 -17.679 8.823 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.396 -16.524 8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.716 -18.108 8.887 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.494 -16.106 10.297 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.421 -17.382 11.062 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.272 -14.549 10.437 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.588 -15.497 11.876 1.00 0.00 H new ATOM 32 N TYR A 3 5.935 -16.125 7.142 1.00 0.00 N ATOM 33 CA TYR A 3 6.351 -15.344 5.986 1.00 0.00 C ATOM 34 C TYR A 3 5.540 -15.751 4.764 1.00 0.00 C ATOM 35 O TYR A 3 5.219 -16.930 4.581 1.00 0.00 O ATOM 36 CB TYR A 3 7.858 -15.491 5.723 1.00 0.00 C ATOM 37 CG TYR A 3 8.285 -16.820 5.136 1.00 0.00 C ATOM 38 CD1 TYR A 3 8.509 -17.927 5.946 1.00 0.00 C ATOM 39 CD2 TYR A 3 8.480 -16.962 3.766 1.00 0.00 C ATOM 40 CE1 TYR A 3 8.907 -19.137 5.407 1.00 0.00 C ATOM 41 CE2 TYR A 3 8.879 -18.165 3.223 1.00 0.00 C ATOM 42 CZ TYR A 3 9.090 -19.252 4.045 1.00 0.00 C ATOM 43 OH TYR A 3 9.491 -20.452 3.502 1.00 0.00 O ATOM 0 H TYR A 3 6.605 -16.832 7.444 1.00 0.00 H new ATOM 0 HA TYR A 3 6.161 -14.291 6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.171 -14.696 5.046 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.391 -15.339 6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.370 -17.841 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.316 -16.115 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.074 -19.988 6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.026 -18.256 2.157 1.00 0.00 H new ATOM 0 HH TYR A 3 9.571 -20.361 2.530 1.00 0.00 H new ATOM 53 N LYS A 4 5.192 -14.776 3.945 1.00 0.00 N ATOM 54 CA LYS A 4 4.337 -15.025 2.801 1.00 0.00 C ATOM 55 C LYS A 4 5.147 -15.017 1.509 1.00 0.00 C ATOM 56 O LYS A 4 6.124 -14.280 1.377 1.00 0.00 O ATOM 57 CB LYS A 4 3.223 -13.976 2.746 1.00 0.00 C ATOM 58 CG LYS A 4 2.122 -14.292 1.751 1.00 0.00 C ATOM 59 CD LYS A 4 1.029 -13.238 1.789 1.00 0.00 C ATOM 60 CE LYS A 4 -0.108 -13.577 0.842 1.00 0.00 C ATOM 61 NZ LYS A 4 -0.801 -14.836 1.226 1.00 0.00 N ATOM 0 H LYS A 4 5.488 -13.806 4.051 1.00 0.00 H new ATOM 0 HA LYS A 4 3.887 -16.012 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.783 -13.876 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.660 -13.010 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.541 -14.349 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.696 -15.270 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.643 -13.150 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.449 -12.268 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.826 -12.757 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.282 -13.673 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.818 -15.485 0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.294 -15.284 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.776 -14.621 1.517 1.00 0.00 H new ATOM 75 N ALA A 5 4.747 -15.863 0.573 1.00 0.00 N ATOM 76 CA ALA A 5 5.385 -15.930 -0.730 1.00 0.00 C ATOM 77 C ALA A 5 4.394 -15.499 -1.808 1.00 0.00 C ATOM 78 O ALA A 5 3.192 -15.449 -1.552 1.00 0.00 O ATOM 79 CB ALA A 5 5.892 -17.345 -0.987 1.00 0.00 C ATOM 0 H ALA A 5 3.975 -16.519 0.695 1.00 0.00 H new ATOM 0 HA ALA A 5 6.239 -15.253 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.369 -17.388 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.615 -17.618 -0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.054 -18.042 -0.961 1.00 0.00 H new ATOM 85 N PRO A 6 4.864 -15.163 -3.022 1.00 0.00 N ATOM 86 CA PRO A 6 3.979 -14.778 -4.118 1.00 0.00 C ATOM 87 C PRO A 6 3.278 -15.982 -4.743 1.00 0.00 C ATOM 88 O PRO A 6 3.840 -16.681 -5.589 1.00 0.00 O ATOM 89 CB PRO A 6 4.919 -14.113 -5.140 1.00 0.00 C ATOM 90 CG PRO A 6 6.222 -13.950 -4.432 1.00 0.00 C ATOM 91 CD PRO A 6 6.272 -15.051 -3.411 1.00 0.00 C ATOM 0 HA PRO A 6 3.178 -14.122 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.031 -14.731 -6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.526 -13.150 -5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.057 -14.024 -5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.289 -12.972 -3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.655 -15.981 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.911 -14.796 -2.565 1.00 0.00 H new ATOM 99 N GLU A 7 2.052 -16.225 -4.285 1.00 0.00 N ATOM 100 CA GLU A 7 1.237 -17.329 -4.776 1.00 0.00 C ATOM 101 C GLU A 7 0.902 -17.149 -6.258 1.00 0.00 C ATOM 102 O GLU A 7 1.330 -17.940 -7.102 1.00 0.00 O ATOM 103 CB GLU A 7 -0.048 -17.429 -3.951 1.00 0.00 C ATOM 104 CG GLU A 7 0.193 -17.380 -2.453 1.00 0.00 C ATOM 105 CD GLU A 7 -0.337 -16.112 -1.813 1.00 0.00 C ATOM 106 OE1 GLU A 7 0.278 -15.042 -1.999 1.00 0.00 O ATOM 107 OE2 GLU A 7 -1.370 -16.181 -1.111 1.00 0.00 O ATOM 0 H GLU A 7 1.598 -15.663 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 7 1.807 -18.252 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.715 -16.614 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.559 -18.359 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.281 -18.243 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.263 -17.460 -2.259 1.00 0.00 H new ATOM 114 N GLY A 8 0.132 -16.113 -6.568 1.00 0.00 N ATOM 115 CA GLY A 8 -0.221 -15.843 -7.947 1.00 0.00 C ATOM 116 C GLY A 8 -0.718 -14.427 -8.139 1.00 0.00 C ATOM 117 O GLY A 8 -1.802 -14.209 -8.681 1.00 0.00 O ATOM 0 H GLY A 8 -0.253 -15.456 -5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.648 -16.011 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.992 -16.544 -8.268 1.00 0.00 H new ATOM 121 N LYS A 9 0.076 -13.459 -7.709 1.00 0.00 N ATOM 122 CA LYS A 9 -0.331 -12.062 -7.766 1.00 0.00 C ATOM 123 C LYS A 9 0.675 -11.241 -8.554 1.00 0.00 C ATOM 124 O LYS A 9 1.791 -11.692 -8.820 1.00 0.00 O ATOM 125 CB LYS A 9 -0.472 -11.466 -6.355 1.00 0.00 C ATOM 126 CG LYS A 9 0.856 -11.157 -5.664 1.00 0.00 C ATOM 127 CD LYS A 9 1.632 -12.404 -5.313 1.00 0.00 C ATOM 128 CE LYS A 9 0.954 -13.207 -4.216 1.00 0.00 C ATOM 129 NZ LYS A 9 1.017 -12.535 -2.893 1.00 0.00 N ATOM 0 H LYS A 9 1.005 -13.614 -7.317 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.300 -12.026 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.057 -10.548 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.037 -12.162 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.462 -10.528 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.664 -10.585 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.741 -13.025 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.636 -12.128 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.089 -13.374 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.426 -14.187 -4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.910 -13.243 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.934 -12.055 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.251 -11.836 -2.822 1.00 0.00 H new ATOM 143 N GLY A 10 0.272 -10.043 -8.936 1.00 0.00 N ATOM 144 CA GLY A 10 1.199 -9.109 -9.521 1.00 0.00 C ATOM 145 C GLY A 10 1.501 -7.979 -8.569 1.00 0.00 C ATOM 146 O GLY A 10 1.545 -8.177 -7.355 1.00 0.00 O ATOM 0 H GLY A 10 -0.685 -9.701 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.123 -9.624 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.783 -8.709 -10.446 1.00 0.00 H new ATOM 150 N TYR A 11 1.663 -6.788 -9.111 1.00 0.00 N ATOM 151 CA TYR A 11 1.957 -5.606 -8.310 1.00 0.00 C ATOM 152 C TYR A 11 0.744 -5.172 -7.483 1.00 0.00 C ATOM 153 O TYR A 11 0.798 -4.189 -6.752 1.00 0.00 O ATOM 154 CB TYR A 11 2.404 -4.460 -9.221 1.00 0.00 C ATOM 155 CG TYR A 11 1.332 -3.970 -10.177 1.00 0.00 C ATOM 156 CD1 TYR A 11 0.808 -4.804 -11.159 1.00 0.00 C ATOM 157 CD2 TYR A 11 0.847 -2.673 -10.096 1.00 0.00 C ATOM 158 CE1 TYR A 11 -0.165 -4.360 -12.028 1.00 0.00 C ATOM 159 CE2 TYR A 11 -0.125 -2.221 -10.962 1.00 0.00 C ATOM 160 CZ TYR A 11 -0.629 -3.066 -11.925 1.00 0.00 C ATOM 161 OH TYR A 11 -1.595 -2.611 -12.790 1.00 0.00 O ATOM 0 H TYR A 11 1.596 -6.608 -10.113 1.00 0.00 H new ATOM 0 HA TYR A 11 2.760 -5.859 -7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.732 -3.625 -8.601 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.269 -4.786 -9.799 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.170 -5.818 -11.242 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.238 -2.006 -9.342 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.561 -5.021 -12.784 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.490 -1.207 -10.886 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.810 -1.678 -12.579 1.00 0.00 H new ATOM 171 N ALA A 12 -0.339 -5.928 -7.570 1.00 0.00 N ATOM 172 CA ALA A 12 -1.569 -5.566 -6.876 1.00 0.00 C ATOM 173 C ALA A 12 -1.468 -5.931 -5.403 1.00 0.00 C ATOM 174 O ALA A 12 -2.203 -5.409 -4.562 1.00 0.00 O ATOM 175 CB ALA A 12 -2.763 -6.255 -7.520 1.00 0.00 C ATOM 0 H ALA A 12 -0.394 -6.791 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.713 -4.488 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.674 -5.975 -6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.841 -5.949 -8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.631 -7.336 -7.468 1.00 0.00 H new ATOM 181 N ASP A 13 -0.523 -6.808 -5.094 1.00 0.00 N ATOM 182 CA ASP A 13 -0.308 -7.256 -3.727 1.00 0.00 C ATOM 183 C ASP A 13 0.366 -6.149 -2.922 1.00 0.00 C ATOM 184 O ASP A 13 -0.083 -5.789 -1.835 1.00 0.00 O ATOM 185 CB ASP A 13 0.557 -8.515 -3.730 1.00 0.00 C ATOM 186 CG ASP A 13 0.311 -9.421 -2.539 1.00 0.00 C ATOM 187 OD1 ASP A 13 0.943 -9.220 -1.492 1.00 0.00 O ATOM 188 OD2 ASP A 13 -0.500 -10.369 -2.667 1.00 0.00 O ATOM 0 H ASP A 13 0.110 -7.225 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.267 -7.489 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.368 -9.074 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.607 -8.224 -3.745 1.00 0.00 H new ATOM 193 N VAL A 14 1.421 -5.577 -3.495 1.00 0.00 N ATOM 194 CA VAL A 14 2.182 -4.532 -2.823 1.00 0.00 C ATOM 195 C VAL A 14 1.384 -3.237 -2.727 1.00 0.00 C ATOM 196 O VAL A 14 1.547 -2.473 -1.772 1.00 0.00 O ATOM 197 CB VAL A 14 3.528 -4.259 -3.518 1.00 0.00 C ATOM 198 CG1 VAL A 14 4.366 -5.511 -3.528 1.00 0.00 C ATOM 199 CG2 VAL A 14 3.330 -3.755 -4.932 1.00 0.00 C ATOM 0 H VAL A 14 1.767 -5.820 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 14 2.385 -4.899 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 14 4.045 -3.482 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.317 -5.309 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.551 -5.833 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.838 -6.298 -4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.301 -3.573 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.788 -4.502 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.759 -2.827 -4.911 1.00 0.00 H new ATOM 209 N ALA A 15 0.527 -2.990 -3.717 1.00 0.00 N ATOM 210 CA ALA A 15 -0.385 -1.864 -3.660 1.00 0.00 C ATOM 211 C ALA A 15 -1.269 -1.982 -2.423 1.00 0.00 C ATOM 212 O ALA A 15 -1.447 -1.022 -1.670 1.00 0.00 O ATOM 213 CB ALA A 15 -1.235 -1.790 -4.923 1.00 0.00 C ATOM 0 H ALA A 15 0.450 -3.556 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 15 0.196 -0.944 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.911 -0.938 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.587 -1.673 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.816 -2.707 -5.025 1.00 0.00 H new ATOM 219 N THR A 16 -1.781 -3.186 -2.201 1.00 0.00 N ATOM 220 CA THR A 16 -2.606 -3.471 -1.037 1.00 0.00 C ATOM 221 C THR A 16 -1.770 -3.414 0.247 1.00 0.00 C ATOM 222 O THR A 16 -2.258 -2.988 1.294 1.00 0.00 O ATOM 223 CB THR A 16 -3.271 -4.856 -1.171 1.00 0.00 C ATOM 224 OG1 THR A 16 -3.889 -4.973 -2.461 1.00 0.00 O ATOM 225 CG2 THR A 16 -4.322 -5.064 -0.091 1.00 0.00 C ATOM 0 H THR A 16 -1.637 -3.985 -2.818 1.00 0.00 H new ATOM 0 HA THR A 16 -3.385 -2.711 -0.980 1.00 0.00 H new ATOM 0 HB THR A 16 -2.499 -5.617 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.213 -5.220 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.775 -6.048 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.853 -4.995 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.092 -4.297 -0.180 1.00 0.00 H new ATOM 233 N HIS A 17 -0.507 -3.830 0.149 1.00 0.00 N ATOM 234 CA HIS A 17 0.425 -3.775 1.279 1.00 0.00 C ATOM 235 C HIS A 17 0.473 -2.375 1.878 1.00 0.00 C ATOM 236 O HIS A 17 0.265 -2.195 3.075 1.00 0.00 O ATOM 237 CB HIS A 17 1.835 -4.197 0.842 1.00 0.00 C ATOM 238 CG HIS A 17 2.880 -4.052 1.915 1.00 0.00 C ATOM 239 ND1 HIS A 17 3.743 -2.978 1.982 1.00 0.00 N ATOM 240 CD2 HIS A 17 3.199 -4.848 2.964 1.00 0.00 C ATOM 241 CE1 HIS A 17 4.547 -3.126 3.020 1.00 0.00 C ATOM 242 NE2 HIS A 17 4.238 -4.251 3.635 1.00 0.00 N ATOM 0 H HIS A 17 -0.103 -4.211 -0.706 1.00 0.00 H new ATOM 0 HA HIS A 17 0.065 -4.470 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.807 -5.237 0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.130 -3.600 -0.021 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.723 -5.782 3.225 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.327 -2.440 3.316 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.695 -4.617 4.470 1.00 0.00 H new ATOM 251 N PHE A 18 0.746 -1.389 1.038 1.00 0.00 N ATOM 252 CA PHE A 18 0.844 -0.009 1.490 1.00 0.00 C ATOM 253 C PHE A 18 -0.517 0.514 1.931 1.00 0.00 C ATOM 254 O PHE A 18 -0.628 1.200 2.946 1.00 0.00 O ATOM 255 CB PHE A 18 1.426 0.864 0.382 1.00 0.00 C ATOM 256 CG PHE A 18 2.919 1.006 0.447 1.00 0.00 C ATOM 257 CD1 PHE A 18 3.744 -0.095 0.276 1.00 0.00 C ATOM 258 CD2 PHE A 18 3.499 2.241 0.684 1.00 0.00 C ATOM 259 CE1 PHE A 18 5.118 0.034 0.338 1.00 0.00 C ATOM 260 CE2 PHE A 18 4.874 2.376 0.749 1.00 0.00 C ATOM 261 CZ PHE A 18 5.684 1.271 0.577 1.00 0.00 C ATOM 0 H PHE A 18 0.904 -1.518 0.039 1.00 0.00 H new ATOM 0 HA PHE A 18 1.512 0.029 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.152 0.440 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.973 1.854 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.307 -1.065 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.870 3.109 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.749 -0.832 0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.314 3.345 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.758 1.374 0.629 1.00 0.00 H new ATOM 271 N ARG A 19 -1.552 0.154 1.182 1.00 0.00 N ATOM 272 CA ARG A 19 -2.915 0.562 1.502 1.00 0.00 C ATOM 273 C ARG A 19 -3.358 0.042 2.869 1.00 0.00 C ATOM 274 O ARG A 19 -4.199 0.649 3.527 1.00 0.00 O ATOM 275 CB ARG A 19 -3.881 0.075 0.423 1.00 0.00 C ATOM 276 CG ARG A 19 -3.857 0.917 -0.842 1.00 0.00 C ATOM 277 CD ARG A 19 -4.274 2.352 -0.561 1.00 0.00 C ATOM 278 NE ARG A 19 -5.619 2.434 0.003 1.00 0.00 N ATOM 279 CZ ARG A 19 -6.264 3.579 0.244 1.00 0.00 C ATOM 280 NH1 ARG A 19 -5.709 4.745 -0.074 1.00 0.00 N ATOM 281 NH2 ARG A 19 -7.481 3.552 0.768 1.00 0.00 N ATOM 0 H ARG A 19 -1.473 -0.423 0.344 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.930 1.651 1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.637 -0.956 0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.893 0.072 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.855 0.905 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.526 0.481 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.564 2.807 0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.233 2.928 -1.485 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.096 1.561 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.785 4.769 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.208 5.615 0.113 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.923 2.659 0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.976 4.424 0.953 1.00 0.00 H new ATOM 295 N THR A 20 -2.787 -1.074 3.297 1.00 0.00 N ATOM 296 CA THR A 20 -3.125 -1.644 4.591 1.00 0.00 C ATOM 297 C THR A 20 -2.375 -0.904 5.699 1.00 0.00 C ATOM 298 O THR A 20 -2.909 -0.666 6.781 1.00 0.00 O ATOM 299 CB THR A 20 -2.792 -3.151 4.640 1.00 0.00 C ATOM 300 OG1 THR A 20 -3.427 -3.824 3.542 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.255 -3.778 5.947 1.00 0.00 C ATOM 0 H THR A 20 -2.091 -1.600 2.769 1.00 0.00 H new ATOM 0 HA THR A 20 -4.198 -1.530 4.744 1.00 0.00 H new ATOM 0 HB THR A 20 -1.710 -3.258 4.570 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.947 -3.621 2.712 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.006 -4.839 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.757 -3.286 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.334 -3.658 6.046 1.00 0.00 H new ATOM 309 N LEU A 21 -1.148 -0.506 5.393 1.00 0.00 N ATOM 310 CA LEU A 21 -0.304 0.206 6.342 1.00 0.00 C ATOM 311 C LEU A 21 -0.813 1.623 6.578 1.00 0.00 C ATOM 312 O LEU A 21 -0.876 2.092 7.714 1.00 0.00 O ATOM 313 CB LEU A 21 1.124 0.270 5.816 1.00 0.00 C ATOM 314 CG LEU A 21 1.821 -1.071 5.624 1.00 0.00 C ATOM 315 CD1 LEU A 21 3.092 -0.873 4.826 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.132 -1.714 6.966 1.00 0.00 C ATOM 0 H LEU A 21 -0.712 -0.666 4.485 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.331 -0.336 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.116 0.794 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.718 0.872 6.504 1.00 0.00 H new ATOM 0 HG LEU A 21 1.155 -1.739 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.589 -1.833 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.848 -0.449 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.755 -0.194 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.629 -2.670 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.785 -1.058 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.205 -1.876 7.516 1.00 0.00 H new ATOM 328 N ILE A 22 -1.164 2.300 5.493 1.00 0.00 N ATOM 329 CA ILE A 22 -1.671 3.668 5.556 1.00 0.00 C ATOM 330 C ILE A 22 -3.049 3.696 6.207 1.00 0.00 C ATOM 331 O ILE A 22 -3.484 4.718 6.737 1.00 0.00 O ATOM 332 CB ILE A 22 -1.761 4.283 4.139 1.00 0.00 C ATOM 333 CG1 ILE A 22 -0.386 4.289 3.475 1.00 0.00 C ATOM 334 CG2 ILE A 22 -2.328 5.698 4.180 1.00 0.00 C ATOM 335 CD1 ILE A 22 0.632 5.129 4.207 1.00 0.00 C ATOM 0 H ILE A 22 -1.107 1.921 4.548 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.977 4.256 6.156 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.440 3.665 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.019 3.265 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.485 4.660 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.377 6.100 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.329 5.677 4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.684 6.331 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.585 5.087 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.287 6.162 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.760 4.745 5.219 1.00 0.00 H new ATOM 347 N LYS A 23 -3.715 2.552 6.177 1.00 0.00 N ATOM 348 CA LYS A 23 -5.080 2.440 6.612 1.00 0.00 C ATOM 349 C LYS A 23 -5.282 2.904 8.055 1.00 0.00 C ATOM 350 O LYS A 23 -5.995 3.882 8.295 1.00 0.00 O ATOM 351 CB LYS A 23 -5.534 0.996 6.448 1.00 0.00 C ATOM 352 CG LYS A 23 -7.027 0.826 6.562 1.00 0.00 C ATOM 353 CD LYS A 23 -7.463 -0.596 6.229 1.00 0.00 C ATOM 354 CE LYS A 23 -7.070 -0.984 4.810 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.698 -0.098 3.792 1.00 0.00 N ATOM 0 H LYS A 23 -3.312 1.675 5.846 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.685 3.100 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.206 0.627 5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.046 0.381 7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.345 1.076 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.525 1.525 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.010 -1.291 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.543 -0.683 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.986 -0.939 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.365 -2.017 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.529 -0.487 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.722 -0.041 3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.282 0.853 3.856 1.00 0.00 H new ATOM 369 N SER A 24 -4.670 2.227 9.020 1.00 0.00 N ATOM 370 CA SER A 24 -5.063 2.468 10.401 1.00 0.00 C ATOM 371 C SER A 24 -3.978 3.104 11.271 1.00 0.00 C ATOM 372 O SER A 24 -4.303 3.878 12.172 1.00 0.00 O ATOM 373 CB SER A 24 -5.476 1.140 11.027 1.00 0.00 C ATOM 374 OG SER A 24 -6.290 0.389 10.142 1.00 0.00 O ATOM 0 H SER A 24 -3.932 1.537 8.882 1.00 0.00 H new ATOM 0 HA SER A 24 -5.883 3.186 10.365 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.587 0.564 11.285 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.017 1.325 11.955 1.00 0.00 H new ATOM 0 HG SER A 24 -6.540 -0.458 10.567 1.00 0.00 H new ATOM 380 N GLY A 25 -2.706 2.800 11.034 1.00 0.00 N ATOM 381 CA GLY A 25 -1.680 3.376 11.889 1.00 0.00 C ATOM 382 C GLY A 25 -0.263 3.069 11.463 1.00 0.00 C ATOM 383 O GLY A 25 0.653 3.854 11.719 1.00 0.00 O ATOM 0 H GLY A 25 -2.372 2.186 10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.812 4.458 11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.827 3.013 12.906 1.00 0.00 H new ATOM 387 N GLU A 26 -0.090 1.914 10.830 1.00 0.00 N ATOM 388 CA GLU A 26 1.228 1.308 10.648 1.00 0.00 C ATOM 389 C GLU A 26 2.187 2.206 9.881 1.00 0.00 C ATOM 390 O GLU A 26 3.262 2.543 10.378 1.00 0.00 O ATOM 391 CB GLU A 26 1.071 -0.036 9.950 1.00 0.00 C ATOM 392 CG GLU A 26 0.220 -1.011 10.743 1.00 0.00 C ATOM 393 CD GLU A 26 -0.100 -2.270 9.976 1.00 0.00 C ATOM 394 OE1 GLU A 26 0.688 -3.233 10.055 1.00 0.00 O ATOM 395 OE2 GLU A 26 -1.154 -2.309 9.315 1.00 0.00 O ATOM 0 H GLU A 26 -0.855 1.371 10.429 1.00 0.00 H new ATOM 0 HA GLU A 26 1.669 1.164 11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.621 0.119 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.056 -0.472 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.741 -1.275 11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.710 -0.522 11.032 1.00 0.00 H new ATOM 402 N LEU A 27 1.810 2.593 8.679 1.00 0.00 N ATOM 403 CA LEU A 27 2.658 3.462 7.890 1.00 0.00 C ATOM 404 C LEU A 27 2.162 4.888 8.036 1.00 0.00 C ATOM 405 O LEU A 27 1.285 5.340 7.299 1.00 0.00 O ATOM 406 CB LEU A 27 2.675 3.024 6.424 1.00 0.00 C ATOM 407 CG LEU A 27 3.881 3.486 5.602 1.00 0.00 C ATOM 408 CD1 LEU A 27 5.178 2.992 6.229 1.00 0.00 C ATOM 409 CD2 LEU A 27 3.766 2.983 4.171 1.00 0.00 C ATOM 0 H LEU A 27 0.934 2.324 8.232 1.00 0.00 H new ATOM 0 HA LEU A 27 3.685 3.401 8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.632 1.935 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.769 3.394 5.944 1.00 0.00 H new ATOM 0 HG LEU A 27 3.894 4.576 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.024 3.331 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.267 3.389 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.173 1.903 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.630 3.318 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.730 1.894 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.855 3.376 3.719 1.00 0.00 H new ATOM 421 N ALA A 28 2.687 5.563 9.044 1.00 0.00 N ATOM 422 CA ALA A 28 2.278 6.917 9.359 1.00 0.00 C ATOM 423 C ALA A 28 3.030 7.919 8.486 1.00 0.00 C ATOM 424 O ALA A 28 4.146 7.644 8.035 1.00 0.00 O ATOM 425 CB ALA A 28 2.523 7.205 10.835 1.00 0.00 C ATOM 0 H ALA A 28 3.405 5.188 9.663 1.00 0.00 H new ATOM 0 HA ALA A 28 1.212 7.019 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.213 8.225 11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.948 6.506 11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.584 7.090 11.057 1.00 0.00 H new ATOM 431 N PRO A 29 2.445 9.097 8.242 1.00 0.00 N ATOM 432 CA PRO A 29 3.077 10.120 7.417 1.00 0.00 C ATOM 433 C PRO A 29 4.172 10.867 8.169 1.00 0.00 C ATOM 434 O PRO A 29 4.023 11.205 9.345 1.00 0.00 O ATOM 435 CB PRO A 29 1.922 11.058 7.067 1.00 0.00 C ATOM 436 CG PRO A 29 0.963 10.920 8.200 1.00 0.00 C ATOM 437 CD PRO A 29 1.116 9.515 8.726 1.00 0.00 C ATOM 0 HA PRO A 29 3.572 9.697 6.543 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.266 12.087 6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.459 10.779 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.177 11.651 8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.059 11.100 7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.061 9.488 9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.330 8.860 8.350 1.00 0.00 H new ATOM 445 N GLY A 30 5.282 11.104 7.488 1.00 0.00 N ATOM 446 CA GLY A 30 6.412 11.772 8.100 1.00 0.00 C ATOM 447 C GLY A 30 7.636 10.881 8.156 1.00 0.00 C ATOM 448 O GLY A 30 8.766 11.367 8.194 1.00 0.00 O ATOM 0 H GLY A 30 5.421 10.843 6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.647 12.676 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.145 12.085 9.109 1.00 0.00 H new ATOM 452 N ASP A 31 7.407 9.574 8.153 1.00 0.00 N ATOM 453 CA ASP A 31 8.496 8.604 8.186 1.00 0.00 C ATOM 454 C ASP A 31 8.867 8.191 6.763 1.00 0.00 C ATOM 455 O ASP A 31 8.091 8.399 5.832 1.00 0.00 O ATOM 456 CB ASP A 31 8.097 7.382 9.023 1.00 0.00 C ATOM 457 CG ASP A 31 9.237 6.396 9.217 1.00 0.00 C ATOM 458 OD1 ASP A 31 10.413 6.816 9.174 1.00 0.00 O ATOM 459 OD2 ASP A 31 8.965 5.193 9.408 1.00 0.00 O ATOM 0 H ASP A 31 6.475 9.160 8.128 1.00 0.00 H new ATOM 0 HA ASP A 31 9.368 9.063 8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.744 7.717 9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.263 6.874 8.539 1.00 0.00 H new ATOM 464 N THR A 32 10.049 7.620 6.596 1.00 0.00 N ATOM 465 CA THR A 32 10.518 7.208 5.284 1.00 0.00 C ATOM 466 C THR A 32 9.888 5.886 4.859 1.00 0.00 C ATOM 467 O THR A 32 9.362 5.143 5.690 1.00 0.00 O ATOM 468 CB THR A 32 12.050 7.056 5.271 1.00 0.00 C ATOM 469 OG1 THR A 32 12.510 6.606 6.555 1.00 0.00 O ATOM 470 CG2 THR A 32 12.735 8.365 4.913 1.00 0.00 C ATOM 0 H THR A 32 10.703 7.431 7.356 1.00 0.00 H new ATOM 0 HA THR A 32 10.222 7.987 4.581 1.00 0.00 H new ATOM 0 HB THR A 32 12.306 6.319 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.485 6.510 6.538 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.816 8.222 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.411 8.686 3.923 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.470 9.127 5.646 1.00 0.00 H new ATOM 478 N LEU A 33 9.930 5.609 3.562 1.00 0.00 N ATOM 479 CA LEU A 33 9.453 4.338 3.034 1.00 0.00 C ATOM 480 C LEU A 33 10.310 3.191 3.559 1.00 0.00 C ATOM 481 O LEU A 33 11.517 3.347 3.768 1.00 0.00 O ATOM 482 CB LEU A 33 9.476 4.331 1.498 1.00 0.00 C ATOM 483 CG LEU A 33 8.597 5.371 0.793 1.00 0.00 C ATOM 484 CD1 LEU A 33 8.256 4.907 -0.614 1.00 0.00 C ATOM 485 CD2 LEU A 33 7.333 5.648 1.578 1.00 0.00 C ATOM 0 H LEU A 33 10.291 6.250 2.855 1.00 0.00 H new ATOM 0 HA LEU A 33 8.424 4.206 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.506 4.478 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.172 3.341 1.157 1.00 0.00 H new ATOM 0 HG LEU A 33 9.162 6.301 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.632 5.655 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.174 4.772 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.717 3.961 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.732 6.389 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.761 4.726 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.594 6.028 2.566 1.00 0.00 H new ATOM 497 N PRO A 34 9.691 2.029 3.790 1.00 0.00 N ATOM 498 CA PRO A 34 10.397 0.831 4.246 1.00 0.00 C ATOM 499 C PRO A 34 11.143 0.125 3.114 1.00 0.00 C ATOM 500 O PRO A 34 10.990 0.470 1.940 1.00 0.00 O ATOM 501 CB PRO A 34 9.266 -0.057 4.761 1.00 0.00 C ATOM 502 CG PRO A 34 8.080 0.340 3.953 1.00 0.00 C ATOM 503 CD PRO A 34 8.239 1.809 3.677 1.00 0.00 C ATOM 0 HA PRO A 34 11.160 1.064 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.500 -1.113 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.091 0.101 5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.033 -0.229 3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.155 0.143 4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.870 2.073 2.686 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.685 2.414 4.395 1.00 0.00 H new ATOM 511 N SER A 35 11.947 -0.865 3.476 1.00 0.00 N ATOM 512 CA SER A 35 12.692 -1.645 2.499 1.00 0.00 C ATOM 513 C SER A 35 11.781 -2.686 1.856 1.00 0.00 C ATOM 514 O SER A 35 10.749 -3.043 2.424 1.00 0.00 O ATOM 515 CB SER A 35 13.888 -2.327 3.170 1.00 0.00 C ATOM 516 OG SER A 35 13.473 -3.164 4.242 1.00 0.00 O ATOM 0 H SER A 35 12.100 -1.148 4.444 1.00 0.00 H new ATOM 0 HA SER A 35 13.063 -0.977 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.432 -2.919 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.578 -1.570 3.543 1.00 0.00 H new ATOM 0 HG SER A 35 12.523 -3.010 4.429 1.00 0.00 H new ATOM 522 N VAL A 36 12.171 -3.182 0.681 1.00 0.00 N ATOM 523 CA VAL A 36 11.370 -4.159 -0.061 1.00 0.00 C ATOM 524 C VAL A 36 11.019 -5.385 0.789 1.00 0.00 C ATOM 525 O VAL A 36 10.002 -6.041 0.559 1.00 0.00 O ATOM 526 CB VAL A 36 12.091 -4.624 -1.349 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.216 -3.477 -2.339 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.463 -5.199 -1.028 1.00 0.00 C ATOM 0 H VAL A 36 13.043 -2.922 0.219 1.00 0.00 H new ATOM 0 HA VAL A 36 10.446 -3.648 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 36 11.489 -5.411 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.726 -3.826 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.223 -3.114 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.789 -2.667 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.949 -5.518 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.072 -4.437 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.352 -6.054 -0.361 1.00 0.00 H new ATOM 538 N ALA A 37 11.856 -5.673 1.779 1.00 0.00 N ATOM 539 CA ALA A 37 11.635 -6.801 2.672 1.00 0.00 C ATOM 540 C ALA A 37 10.358 -6.613 3.492 1.00 0.00 C ATOM 541 O ALA A 37 9.632 -7.571 3.750 1.00 0.00 O ATOM 542 CB ALA A 37 12.835 -6.980 3.589 1.00 0.00 C ATOM 0 H ALA A 37 12.699 -5.136 1.983 1.00 0.00 H new ATOM 0 HA ALA A 37 11.513 -7.699 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.662 -7.826 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.726 -7.166 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.978 -6.076 4.181 1.00 0.00 H new ATOM 548 N ASP A 38 10.076 -5.369 3.874 1.00 0.00 N ATOM 549 CA ASP A 38 8.909 -5.062 4.701 1.00 0.00 C ATOM 550 C ASP A 38 7.631 -5.244 3.898 1.00 0.00 C ATOM 551 O ASP A 38 6.570 -5.561 4.445 1.00 0.00 O ATOM 552 CB ASP A 38 8.979 -3.627 5.235 1.00 0.00 C ATOM 553 CG ASP A 38 10.255 -3.351 6.003 1.00 0.00 C ATOM 554 OD1 ASP A 38 10.334 -3.718 7.193 1.00 0.00 O ATOM 555 OD2 ASP A 38 11.188 -2.760 5.423 1.00 0.00 O ATOM 0 H ASP A 38 10.640 -4.556 3.624 1.00 0.00 H new ATOM 0 HA ASP A 38 8.906 -5.750 5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.904 -2.929 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.122 -3.443 5.883 1.00 0.00 H new ATOM 560 N ILE A 39 7.735 -5.026 2.595 1.00 0.00 N ATOM 561 CA ILE A 39 6.623 -5.233 1.696 1.00 0.00 C ATOM 562 C ILE A 39 6.429 -6.731 1.472 1.00 0.00 C ATOM 563 O ILE A 39 5.332 -7.243 1.657 1.00 0.00 O ATOM 564 CB ILE A 39 6.814 -4.512 0.326 1.00 0.00 C ATOM 565 CG1 ILE A 39 6.876 -2.985 0.483 1.00 0.00 C ATOM 566 CG2 ILE A 39 5.688 -4.862 -0.633 1.00 0.00 C ATOM 567 CD1 ILE A 39 8.186 -2.461 1.017 1.00 0.00 C ATOM 0 H ILE A 39 8.589 -4.703 2.140 1.00 0.00 H new ATOM 0 HA ILE A 39 5.738 -4.799 2.162 1.00 0.00 H new ATOM 0 HB ILE A 39 7.765 -4.860 -0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.684 -2.525 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.074 -2.669 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.844 -4.347 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.676 -5.939 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.735 -4.552 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.139 -1.375 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.374 -2.887 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.993 -2.742 0.340 1.00 0.00 H new ATOM 579 N ARG A 40 7.524 -7.418 1.139 1.00 0.00 N ATOM 580 CA ARG A 40 7.491 -8.841 0.782 1.00 0.00 C ATOM 581 C ARG A 40 7.112 -9.748 1.952 1.00 0.00 C ATOM 582 O ARG A 40 6.289 -10.648 1.804 1.00 0.00 O ATOM 583 CB ARG A 40 8.856 -9.292 0.257 1.00 0.00 C ATOM 584 CG ARG A 40 8.945 -10.799 0.080 1.00 0.00 C ATOM 585 CD ARG A 40 10.375 -11.300 0.133 1.00 0.00 C ATOM 586 NE ARG A 40 11.162 -10.900 -1.031 1.00 0.00 N ATOM 587 CZ ARG A 40 12.491 -10.778 -1.012 1.00 0.00 C ATOM 588 NH1 ARG A 40 13.158 -10.937 0.125 1.00 0.00 N ATOM 589 NH2 ARG A 40 13.151 -10.496 -2.125 1.00 0.00 N ATOM 0 H ARG A 40 8.457 -7.006 1.109 1.00 0.00 H new ATOM 0 HA ARG A 40 6.723 -8.935 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.053 -8.805 -0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.633 -8.964 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.361 -11.289 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.500 -11.078 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.854 -10.922 1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.371 -12.388 0.206 1.00 0.00 H new ATOM 0 HE ARG A 40 10.671 -10.704 -1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.655 -11.153 0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.174 -10.843 0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.644 -10.371 -3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.167 -10.404 -2.106 1.00 0.00 H new ATOM 603 N ALA A 41 7.731 -9.530 3.102 1.00 0.00 N ATOM 604 CA ALA A 41 7.604 -10.462 4.217 1.00 0.00 C ATOM 605 C ALA A 41 6.177 -10.504 4.729 1.00 0.00 C ATOM 606 O ALA A 41 5.689 -11.545 5.176 1.00 0.00 O ATOM 607 CB ALA A 41 8.564 -10.087 5.329 1.00 0.00 C ATOM 0 H ALA A 41 8.324 -8.721 3.289 1.00 0.00 H new ATOM 0 HA ALA A 41 7.860 -11.460 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.458 -10.791 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.587 -10.120 4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.339 -9.080 5.680 1.00 0.00 H new ATOM 613 N GLN A 42 5.514 -9.368 4.650 1.00 0.00 N ATOM 614 CA GLN A 42 4.112 -9.291 4.984 1.00 0.00 C ATOM 615 C GLN A 42 3.287 -9.694 3.772 1.00 0.00 C ATOM 616 O GLN A 42 2.595 -10.709 3.776 1.00 0.00 O ATOM 617 CB GLN A 42 3.749 -7.873 5.426 1.00 0.00 C ATOM 618 CG GLN A 42 4.315 -7.485 6.784 1.00 0.00 C ATOM 619 CD GLN A 42 3.824 -8.391 7.899 1.00 0.00 C ATOM 620 OE1 GLN A 42 2.726 -8.940 7.830 1.00 0.00 O ATOM 621 NE2 GLN A 42 4.632 -8.553 8.935 1.00 0.00 N ATOM 0 H GLN A 42 5.928 -8.484 4.356 1.00 0.00 H new ATOM 0 HA GLN A 42 3.898 -9.971 5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.109 -7.167 4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.663 -7.779 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.404 -7.521 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.038 -6.455 7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.536 -8.080 8.956 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.351 -9.150 9.712 1.00 0.00 H new ATOM 630 N PHE A 43 3.367 -8.879 2.739 1.00 0.00 N ATOM 631 CA PHE A 43 2.700 -9.150 1.483 1.00 0.00 C ATOM 632 C PHE A 43 3.644 -9.875 0.529 1.00 0.00 C ATOM 633 O PHE A 43 4.527 -9.264 -0.066 1.00 0.00 O ATOM 634 CB PHE A 43 2.179 -7.844 0.893 1.00 0.00 C ATOM 635 CG PHE A 43 0.862 -7.432 1.503 1.00 0.00 C ATOM 636 CD1 PHE A 43 0.786 -7.016 2.822 1.00 0.00 C ATOM 637 CD2 PHE A 43 -0.304 -7.488 0.759 1.00 0.00 C ATOM 638 CE1 PHE A 43 -0.425 -6.658 3.385 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.518 -7.135 1.317 1.00 0.00 C ATOM 640 CZ PHE A 43 -1.579 -6.718 2.630 1.00 0.00 C ATOM 0 H PHE A 43 3.898 -8.008 2.748 1.00 0.00 H new ATOM 0 HA PHE A 43 1.847 -9.807 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.915 -7.056 1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.060 -7.955 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.685 -6.971 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.264 -7.812 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.468 -6.332 4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.419 -7.186 0.724 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.527 -6.439 3.066 1.00 0.00 H new ATOM 650 N GLY A 44 3.447 -11.183 0.416 1.00 0.00 N ATOM 651 CA GLY A 44 4.361 -12.044 -0.318 1.00 0.00 C ATOM 652 C GLY A 44 4.552 -11.635 -1.759 1.00 0.00 C ATOM 653 O GLY A 44 3.726 -11.951 -2.618 1.00 0.00 O ATOM 0 H GLY A 44 2.653 -11.673 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.329 -12.042 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.987 -13.067 -0.286 1.00 0.00 H new ATOM 657 N VAL A 45 5.651 -10.942 -2.021 1.00 0.00 N ATOM 658 CA VAL A 45 5.962 -10.456 -3.361 1.00 0.00 C ATOM 659 C VAL A 45 7.449 -10.586 -3.668 1.00 0.00 C ATOM 660 O VAL A 45 8.231 -11.053 -2.840 1.00 0.00 O ATOM 661 CB VAL A 45 5.567 -8.978 -3.533 1.00 0.00 C ATOM 662 CG1 VAL A 45 4.060 -8.811 -3.494 1.00 0.00 C ATOM 663 CG2 VAL A 45 6.237 -8.127 -2.464 1.00 0.00 C ATOM 0 H VAL A 45 6.349 -10.701 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 45 5.386 -11.073 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 45 5.912 -8.640 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.807 -7.758 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.609 -9.390 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.679 -9.165 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.950 -7.084 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.922 -8.468 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.320 -8.219 -2.551 1.00 0.00 H new ATOM 673 N ALA A 46 7.831 -10.184 -4.871 1.00 0.00 N ATOM 674 CA ALA A 46 9.231 -10.113 -5.241 1.00 0.00 C ATOM 675 C ALA A 46 9.728 -8.679 -5.084 1.00 0.00 C ATOM 676 O ALA A 46 8.940 -7.777 -4.792 1.00 0.00 O ATOM 677 CB ALA A 46 9.423 -10.599 -6.668 1.00 0.00 C ATOM 0 H ALA A 46 7.186 -9.901 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 46 9.812 -10.759 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.479 -10.541 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.085 -11.632 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.843 -9.973 -7.347 1.00 0.00 H new ATOM 683 N ALA A 47 11.013 -8.456 -5.312 1.00 0.00 N ATOM 684 CA ALA A 47 11.594 -7.136 -5.110 1.00 0.00 C ATOM 685 C ALA A 47 11.239 -6.208 -6.264 1.00 0.00 C ATOM 686 O ALA A 47 11.186 -4.988 -6.099 1.00 0.00 O ATOM 687 CB ALA A 47 13.104 -7.235 -4.953 1.00 0.00 C ATOM 0 H ALA A 47 11.670 -9.166 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 47 11.178 -6.718 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.520 -6.239 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.340 -7.860 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.535 -7.677 -5.851 1.00 0.00 H new ATOM 693 N LYS A 48 10.990 -6.784 -7.431 1.00 0.00 N ATOM 694 CA LYS A 48 10.536 -6.002 -8.570 1.00 0.00 C ATOM 695 C LYS A 48 9.049 -5.709 -8.439 1.00 0.00 C ATOM 696 O LYS A 48 8.564 -4.680 -8.902 1.00 0.00 O ATOM 697 CB LYS A 48 10.811 -6.736 -9.883 1.00 0.00 C ATOM 698 CG LYS A 48 12.273 -7.097 -10.094 1.00 0.00 C ATOM 699 CD LYS A 48 12.498 -7.733 -11.458 1.00 0.00 C ATOM 700 CE LYS A 48 11.589 -8.934 -11.676 1.00 0.00 C ATOM 701 NZ LYS A 48 11.844 -10.021 -10.694 1.00 0.00 N ATOM 0 H LYS A 48 11.094 -7.782 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 48 11.089 -5.063 -8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.215 -7.648 -9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.478 -6.113 -10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.887 -6.201 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.596 -7.785 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.318 -6.994 -12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.539 -8.044 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.549 -8.617 -11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.734 -9.318 -12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.237 -10.837 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.842 -10.308 -10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.631 -9.679 -9.735 1.00 0.00 H new ATOM 715 N THR A 49 8.336 -6.619 -7.785 1.00 0.00 N ATOM 716 CA THR A 49 6.906 -6.465 -7.574 1.00 0.00 C ATOM 717 C THR A 49 6.621 -5.241 -6.703 1.00 0.00 C ATOM 718 O THR A 49 5.713 -4.459 -6.988 1.00 0.00 O ATOM 719 CB THR A 49 6.316 -7.716 -6.901 1.00 0.00 C ATOM 720 OG1 THR A 49 6.830 -8.897 -7.531 1.00 0.00 O ATOM 721 CG2 THR A 49 4.799 -7.711 -6.992 1.00 0.00 C ATOM 0 H THR A 49 8.729 -7.474 -7.391 1.00 0.00 H new ATOM 0 HA THR A 49 6.438 -6.331 -8.549 1.00 0.00 H new ATOM 0 HB THR A 49 6.603 -7.708 -5.850 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.240 -9.655 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.403 -8.605 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.407 -6.825 -6.492 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.497 -7.700 -8.039 1.00 0.00 H new ATOM 729 N VAL A 50 7.414 -5.085 -5.644 1.00 0.00 N ATOM 730 CA VAL A 50 7.295 -3.943 -4.745 1.00 0.00 C ATOM 731 C VAL A 50 7.413 -2.633 -5.516 1.00 0.00 C ATOM 732 O VAL A 50 6.492 -1.814 -5.524 1.00 0.00 O ATOM 733 CB VAL A 50 8.394 -3.979 -3.667 1.00 0.00 C ATOM 734 CG1 VAL A 50 8.299 -2.766 -2.752 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.328 -5.265 -2.863 1.00 0.00 C ATOM 0 H VAL A 50 8.151 -5.742 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 50 6.315 -4.002 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 50 9.359 -3.947 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.086 -2.815 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.416 -1.856 -3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.327 -2.757 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.115 -5.264 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.357 -5.339 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.464 -6.118 -3.528 1.00 0.00 H new ATOM 745 N SER A 51 8.545 -2.468 -6.188 1.00 0.00 N ATOM 746 CA SER A 51 8.859 -1.234 -6.896 1.00 0.00 C ATOM 747 C SER A 51 7.950 -1.025 -8.106 1.00 0.00 C ATOM 748 O SER A 51 7.998 0.024 -8.751 1.00 0.00 O ATOM 749 CB SER A 51 10.327 -1.249 -7.335 1.00 0.00 C ATOM 750 OG SER A 51 10.707 -0.010 -7.912 1.00 0.00 O ATOM 0 H SER A 51 9.269 -3.183 -6.258 1.00 0.00 H new ATOM 0 HA SER A 51 8.689 -0.403 -6.212 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.963 -1.462 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.485 -2.051 -8.056 1.00 0.00 H new ATOM 0 HG SER A 51 9.919 0.425 -8.300 1.00 0.00 H new ATOM 756 N ARG A 52 7.127 -2.017 -8.413 1.00 0.00 N ATOM 757 CA ARG A 52 6.246 -1.937 -9.567 1.00 0.00 C ATOM 758 C ARG A 52 5.040 -1.058 -9.263 1.00 0.00 C ATOM 759 O ARG A 52 4.731 -0.136 -10.019 1.00 0.00 O ATOM 760 CB ARG A 52 5.779 -3.335 -9.985 1.00 0.00 C ATOM 761 CG ARG A 52 5.024 -3.372 -11.310 1.00 0.00 C ATOM 762 CD ARG A 52 5.960 -3.252 -12.504 1.00 0.00 C ATOM 763 NE ARG A 52 6.610 -1.943 -12.589 1.00 0.00 N ATOM 764 CZ ARG A 52 7.771 -1.729 -13.209 1.00 0.00 C ATOM 765 NH1 ARG A 52 8.431 -2.742 -13.761 1.00 0.00 N ATOM 766 NH2 ARG A 52 8.278 -0.503 -13.270 1.00 0.00 N ATOM 0 H ARG A 52 7.051 -2.884 -7.881 1.00 0.00 H new ATOM 0 HA ARG A 52 6.806 -1.492 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.648 -3.990 -10.056 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.137 -3.741 -9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.463 -4.304 -11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.298 -2.560 -11.336 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.723 -4.028 -12.440 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.397 -3.433 -13.420 1.00 0.00 H new ATOM 0 HE ARG A 52 6.148 -1.148 -12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.050 -3.687 -13.711 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.319 -2.575 -14.234 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.779 0.277 -12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.166 -0.341 -13.745 1.00 0.00 H new ATOM 780 N ALA A 53 4.371 -1.332 -8.147 1.00 0.00 N ATOM 781 CA ALA A 53 3.136 -0.631 -7.816 1.00 0.00 C ATOM 782 C ALA A 53 3.375 0.621 -6.984 1.00 0.00 C ATOM 783 O ALA A 53 2.447 1.396 -6.768 1.00 0.00 O ATOM 784 CB ALA A 53 2.173 -1.547 -7.095 1.00 0.00 C ATOM 0 H ALA A 53 4.661 -2.029 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 53 2.699 -0.317 -8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.260 -1.001 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.933 -2.397 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.631 -1.904 -6.173 1.00 0.00 H new ATOM 790 N LEU A 54 4.597 0.818 -6.495 1.00 0.00 N ATOM 791 CA LEU A 54 4.936 2.049 -5.789 1.00 0.00 C ATOM 792 C LEU A 54 4.552 3.288 -6.605 1.00 0.00 C ATOM 793 O LEU A 54 4.197 4.324 -6.042 1.00 0.00 O ATOM 794 CB LEU A 54 6.428 2.086 -5.471 1.00 0.00 C ATOM 795 CG LEU A 54 6.931 1.027 -4.489 1.00 0.00 C ATOM 796 CD1 LEU A 54 8.443 1.115 -4.357 1.00 0.00 C ATOM 797 CD2 LEU A 54 6.278 1.204 -3.128 1.00 0.00 C ATOM 0 H LEU A 54 5.362 0.148 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 54 4.367 2.062 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.981 1.979 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.669 3.070 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 54 6.663 0.043 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.792 0.357 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.904 0.948 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.719 2.103 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.649 0.441 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.519 2.192 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.197 1.107 -3.228 1.00 0.00 H new ATOM 809 N ALA A 55 4.603 3.166 -7.932 1.00 0.00 N ATOM 810 CA ALA A 55 4.219 4.256 -8.823 1.00 0.00 C ATOM 811 C ALA A 55 2.732 4.575 -8.682 1.00 0.00 C ATOM 812 O ALA A 55 2.309 5.720 -8.848 1.00 0.00 O ATOM 813 CB ALA A 55 4.555 3.897 -10.262 1.00 0.00 C ATOM 0 H ALA A 55 4.908 2.319 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 55 4.782 5.146 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.265 4.717 -10.919 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.627 3.722 -10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.015 2.994 -10.548 1.00 0.00 H new ATOM 819 N VAL A 56 1.946 3.556 -8.366 1.00 0.00 N ATOM 820 CA VAL A 56 0.518 3.721 -8.128 1.00 0.00 C ATOM 821 C VAL A 56 0.294 4.235 -6.710 1.00 0.00 C ATOM 822 O VAL A 56 -0.631 5.000 -6.437 1.00 0.00 O ATOM 823 CB VAL A 56 -0.235 2.382 -8.310 1.00 0.00 C ATOM 824 CG1 VAL A 56 -1.733 2.573 -8.156 1.00 0.00 C ATOM 825 CG2 VAL A 56 0.087 1.765 -9.661 1.00 0.00 C ATOM 0 H VAL A 56 2.277 2.596 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 56 0.131 4.438 -8.853 1.00 0.00 H new ATOM 0 HB VAL A 56 0.101 1.700 -7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.237 1.616 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.950 2.962 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.089 3.278 -8.907 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.453 0.824 -9.769 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.214 2.449 -10.454 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.159 1.579 -9.730 1.00 0.00 H new ATOM 835 N LEU A 57 1.205 3.848 -5.831 1.00 0.00 N ATOM 836 CA LEU A 57 1.094 4.118 -4.405 1.00 0.00 C ATOM 837 C LEU A 57 1.423 5.559 -4.083 1.00 0.00 C ATOM 838 O LEU A 57 1.397 5.963 -2.929 1.00 0.00 O ATOM 839 CB LEU A 57 2.003 3.167 -3.636 1.00 0.00 C ATOM 840 CG LEU A 57 1.533 1.715 -3.652 1.00 0.00 C ATOM 841 CD1 LEU A 57 2.587 0.791 -3.067 1.00 0.00 C ATOM 842 CD2 LEU A 57 0.226 1.596 -2.892 1.00 0.00 C ATOM 0 H LEU A 57 2.048 3.334 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 57 0.061 3.952 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.007 3.219 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.074 3.504 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 57 1.371 1.410 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.224 -0.237 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.503 0.867 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.791 1.079 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.109 0.559 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.374 1.918 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.528 2.226 -3.364 1.00 0.00 H new ATOM 854 N LYS A 58 1.723 6.331 -5.105 1.00 0.00 N ATOM 855 CA LYS A 58 1.880 7.757 -4.939 1.00 0.00 C ATOM 856 C LYS A 58 0.541 8.381 -4.558 1.00 0.00 C ATOM 857 O LYS A 58 0.419 9.018 -3.518 1.00 0.00 O ATOM 858 CB LYS A 58 2.411 8.386 -6.222 1.00 0.00 C ATOM 859 CG LYS A 58 3.795 7.895 -6.616 1.00 0.00 C ATOM 860 CD LYS A 58 4.273 8.564 -7.895 1.00 0.00 C ATOM 861 CE LYS A 58 4.374 10.073 -7.730 1.00 0.00 C ATOM 862 NZ LYS A 58 4.655 10.755 -9.016 1.00 0.00 N ATOM 0 H LYS A 58 1.863 5.995 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 58 2.600 7.944 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.715 8.175 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.440 9.469 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.500 8.100 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.775 6.814 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.246 8.162 -8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.585 8.331 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.442 10.455 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.163 10.308 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.716 11.781 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.557 10.410 -9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.890 10.553 -9.691 1.00 0.00 H new ATOM 876 N SER A 59 -0.466 8.159 -5.398 1.00 0.00 N ATOM 877 CA SER A 59 -1.787 8.729 -5.179 1.00 0.00 C ATOM 878 C SER A 59 -2.669 7.746 -4.423 1.00 0.00 C ATOM 879 O SER A 59 -3.516 8.130 -3.621 1.00 0.00 O ATOM 880 CB SER A 59 -2.421 9.100 -6.520 1.00 0.00 C ATOM 881 OG SER A 59 -2.379 8.004 -7.421 1.00 0.00 O ATOM 0 H SER A 59 -0.389 7.586 -6.239 1.00 0.00 H new ATOM 0 HA SER A 59 -1.689 9.632 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.455 9.409 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.895 9.951 -6.952 1.00 0.00 H new ATOM 0 HG SER A 59 -2.791 8.264 -8.271 1.00 0.00 H new ATOM 887 N GLU A 60 -2.459 6.471 -4.710 1.00 0.00 N ATOM 888 CA GLU A 60 -3.220 5.396 -4.100 1.00 0.00 C ATOM 889 C GLU A 60 -2.736 5.132 -2.675 1.00 0.00 C ATOM 890 O GLU A 60 -3.523 5.124 -1.729 1.00 0.00 O ATOM 891 CB GLU A 60 -3.071 4.137 -4.964 1.00 0.00 C ATOM 892 CG GLU A 60 -3.550 2.860 -4.308 1.00 0.00 C ATOM 893 CD GLU A 60 -5.056 2.717 -4.329 1.00 0.00 C ATOM 894 OE1 GLU A 60 -5.603 2.328 -5.383 1.00 0.00 O ATOM 895 OE2 GLU A 60 -5.697 2.983 -3.297 1.00 0.00 O ATOM 0 H GLU A 60 -1.754 6.153 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.271 5.679 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.624 4.282 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.021 4.020 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.102 2.006 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.202 2.835 -3.275 1.00 0.00 H new ATOM 902 N GLY A 61 -1.433 4.937 -2.530 1.00 0.00 N ATOM 903 CA GLY A 61 -0.868 4.568 -1.248 1.00 0.00 C ATOM 904 C GLY A 61 -0.460 5.763 -0.417 1.00 0.00 C ATOM 905 O GLY A 61 -0.084 5.605 0.741 1.00 0.00 O ATOM 0 H GLY A 61 -0.752 5.029 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.597 3.978 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.002 3.931 -1.410 1.00 0.00 H new ATOM 909 N LEU A 62 -0.525 6.953 -1.014 1.00 0.00 N ATOM 910 CA LEU A 62 -0.198 8.193 -0.317 1.00 0.00 C ATOM 911 C LEU A 62 1.265 8.226 0.128 1.00 0.00 C ATOM 912 O LEU A 62 1.565 8.195 1.323 1.00 0.00 O ATOM 913 CB LEU A 62 -1.124 8.391 0.889 1.00 0.00 C ATOM 914 CG LEU A 62 -2.322 9.322 0.669 1.00 0.00 C ATOM 915 CD1 LEU A 62 -3.266 8.774 -0.389 1.00 0.00 C ATOM 916 CD2 LEU A 62 -3.063 9.541 1.977 1.00 0.00 C ATOM 0 H LEU A 62 -0.804 7.083 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.349 9.012 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.499 7.415 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.532 8.782 1.717 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.942 10.279 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.104 9.459 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.732 8.669 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.640 7.800 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.912 10.204 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.420 8.584 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.390 9.993 2.705 1.00 0.00 H new ATOM 928 N VAL A 63 2.170 8.273 -0.843 1.00 0.00 N ATOM 929 CA VAL A 63 3.598 8.408 -0.568 1.00 0.00 C ATOM 930 C VAL A 63 4.209 9.427 -1.519 1.00 0.00 C ATOM 931 O VAL A 63 3.609 9.765 -2.540 1.00 0.00 O ATOM 932 CB VAL A 63 4.361 7.066 -0.702 1.00 0.00 C ATOM 933 CG1 VAL A 63 3.802 6.025 0.256 1.00 0.00 C ATOM 934 CG2 VAL A 63 4.326 6.552 -2.135 1.00 0.00 C ATOM 0 H VAL A 63 1.939 8.219 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 63 3.694 8.740 0.466 1.00 0.00 H new ATOM 0 HB VAL A 63 5.402 7.250 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.354 5.092 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.901 6.383 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.749 5.853 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.870 5.609 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.291 6.395 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.792 7.283 -2.795 1.00 0.00 H new ATOM 944 N SER A 64 5.388 9.934 -1.192 1.00 0.00 N ATOM 945 CA SER A 64 6.035 10.922 -2.039 1.00 0.00 C ATOM 946 C SER A 64 7.553 10.743 -2.044 1.00 0.00 C ATOM 947 O SER A 64 8.188 10.655 -0.991 1.00 0.00 O ATOM 948 CB SER A 64 5.661 12.333 -1.576 1.00 0.00 C ATOM 949 OG SER A 64 4.255 12.524 -1.623 1.00 0.00 O ATOM 0 H SER A 64 5.912 9.680 -0.354 1.00 0.00 H new ATOM 0 HA SER A 64 5.683 10.778 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.020 12.494 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.154 13.071 -2.209 1.00 0.00 H new ATOM 0 HG SER A 64 4.038 13.431 -1.322 1.00 0.00 H new ATOM 955 N SER A 65 8.129 10.672 -3.238 1.00 0.00 N ATOM 956 CA SER A 65 9.571 10.583 -3.380 1.00 0.00 C ATOM 957 C SER A 65 10.175 11.966 -3.188 1.00 0.00 C ATOM 958 O SER A 65 10.251 12.763 -4.123 1.00 0.00 O ATOM 959 CB SER A 65 9.944 10.015 -4.754 1.00 0.00 C ATOM 960 OG SER A 65 11.339 9.779 -4.856 1.00 0.00 O ATOM 0 H SER A 65 7.617 10.675 -4.120 1.00 0.00 H new ATOM 0 HA SER A 65 9.969 9.907 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.403 9.084 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.633 10.711 -5.533 1.00 0.00 H new ATOM 0 HG SER A 65 11.545 9.416 -5.742 1.00 0.00 H new ATOM 966 N ARG A 66 10.557 12.259 -1.958 1.00 0.00 N ATOM 967 CA ARG A 66 11.070 13.569 -1.607 1.00 0.00 C ATOM 968 C ARG A 66 12.565 13.643 -1.894 1.00 0.00 C ATOM 969 O ARG A 66 13.378 13.131 -1.128 1.00 0.00 O ATOM 970 CB ARG A 66 10.785 13.848 -0.130 1.00 0.00 C ATOM 971 CG ARG A 66 10.906 15.304 0.270 1.00 0.00 C ATOM 972 CD ARG A 66 9.945 16.179 -0.520 1.00 0.00 C ATOM 973 NE ARG A 66 9.762 17.493 0.092 1.00 0.00 N ATOM 974 CZ ARG A 66 9.789 18.638 -0.587 1.00 0.00 C ATOM 975 NH1 ARG A 66 10.027 18.627 -1.894 1.00 0.00 N ATOM 976 NH2 ARG A 66 9.576 19.790 0.039 1.00 0.00 N ATOM 0 H ARG A 66 10.521 11.600 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 66 10.573 14.328 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.778 13.503 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.473 13.259 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.703 15.408 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.929 15.644 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.321 16.303 -1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.980 15.678 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 66 9.604 17.536 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.189 17.742 -2.376 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.048 19.503 -2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.391 19.799 1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.597 20.666 -0.483 1.00 0.00 H new ATOM 990 N GLY A 67 12.923 14.280 -3.003 1.00 0.00 N ATOM 991 CA GLY A 67 14.320 14.374 -3.400 1.00 0.00 C ATOM 992 C GLY A 67 15.099 15.372 -2.564 1.00 0.00 C ATOM 993 O GLY A 67 15.775 16.252 -3.095 1.00 0.00 O ATOM 0 H GLY A 67 12.269 14.736 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.785 13.392 -3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 67 14.377 14.662 -4.450 1.00 0.00 H new ATOM 997 N ALA A 68 14.980 15.230 -1.254 1.00 0.00 N ATOM 998 CA ALA A 68 15.669 16.075 -0.295 1.00 0.00 C ATOM 999 C ALA A 68 15.699 15.371 1.052 1.00 0.00 C ATOM 1000 O ALA A 68 16.762 15.051 1.580 1.00 0.00 O ATOM 1001 CB ALA A 68 14.979 17.429 -0.178 1.00 0.00 C ATOM 0 H ALA A 68 14.394 14.515 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 68 16.689 16.251 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.511 18.047 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.981 17.924 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.951 17.286 0.154 1.00 0.00 H new ATOM 1007 N LEU A 69 14.510 15.103 1.583 1.00 0.00 N ATOM 1008 CA LEU A 69 14.373 14.401 2.855 1.00 0.00 C ATOM 1009 C LEU A 69 14.443 12.893 2.641 1.00 0.00 C ATOM 1010 O LEU A 69 14.639 12.126 3.582 1.00 0.00 O ATOM 1011 CB LEU A 69 13.046 14.754 3.545 1.00 0.00 C ATOM 1012 CG LEU A 69 12.917 16.182 4.097 1.00 0.00 C ATOM 1013 CD1 LEU A 69 12.799 17.205 2.976 1.00 0.00 C ATOM 1014 CD2 LEU A 69 11.717 16.275 5.028 1.00 0.00 C ATOM 0 H LEU A 69 13.624 15.363 1.150 1.00 0.00 H new ATOM 0 HA LEU A 69 15.196 14.718 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.237 14.590 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.893 14.055 4.368 1.00 0.00 H new ATOM 0 HG LEU A 69 13.824 16.409 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.709 18.204 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.687 17.158 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.916 16.987 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.634 17.291 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.810 16.020 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.846 15.581 5.858 1.00 0.00 H new ATOM 1026 N GLY A 70 14.274 12.476 1.399 1.00 0.00 N ATOM 1027 CA GLY A 70 14.302 11.067 1.078 1.00 0.00 C ATOM 1028 C GLY A 70 12.932 10.553 0.704 1.00 0.00 C ATOM 1029 O GLY A 70 11.961 11.305 0.734 1.00 0.00 O ATOM 0 H GLY A 70 14.117 13.093 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.993 10.895 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.680 10.506 1.933 1.00 0.00 H new ATOM 1033 N THR A 71 12.836 9.282 0.358 1.00 0.00 N ATOM 1034 CA THR A 71 11.568 8.712 -0.037 1.00 0.00 C ATOM 1035 C THR A 71 10.700 8.511 1.201 1.00 0.00 C ATOM 1036 O THR A 71 10.873 7.547 1.945 1.00 0.00 O ATOM 1037 CB THR A 71 11.772 7.371 -0.768 1.00 0.00 C ATOM 1038 OG1 THR A 71 13.030 7.386 -1.461 1.00 0.00 O ATOM 1039 CG2 THR A 71 10.649 7.128 -1.762 1.00 0.00 C ATOM 0 H THR A 71 13.620 8.630 0.344 1.00 0.00 H new ATOM 0 HA THR A 71 11.072 9.397 -0.725 1.00 0.00 H new ATOM 0 HB THR A 71 11.767 6.568 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.159 6.532 -1.924 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.811 6.176 -2.268 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.696 7.101 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.634 7.932 -2.498 1.00 0.00 H new ATOM 1047 N VAL A 72 9.784 9.440 1.433 1.00 0.00 N ATOM 1048 CA VAL A 72 9.032 9.468 2.674 1.00 0.00 C ATOM 1049 C VAL A 72 7.549 9.275 2.427 1.00 0.00 C ATOM 1050 O VAL A 72 7.051 9.463 1.315 1.00 0.00 O ATOM 1051 CB VAL A 72 9.247 10.796 3.440 1.00 0.00 C ATOM 1052 CG1 VAL A 72 10.675 10.909 3.951 1.00 0.00 C ATOM 1053 CG2 VAL A 72 8.909 11.987 2.558 1.00 0.00 C ATOM 0 H VAL A 72 9.545 10.183 0.777 1.00 0.00 H new ATOM 0 HA VAL A 72 9.405 8.643 3.281 1.00 0.00 H new ATOM 0 HB VAL A 72 8.576 10.796 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.797 11.851 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.887 10.080 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.366 10.877 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.067 12.910 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.551 11.981 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.866 11.925 2.247 1.00 0.00 H new ATOM 1063 N VAL A 73 6.856 8.879 3.472 1.00 0.00 N ATOM 1064 CA VAL A 73 5.420 8.757 3.431 1.00 0.00 C ATOM 1065 C VAL A 73 4.779 10.103 3.743 1.00 0.00 C ATOM 1066 O VAL A 73 4.622 10.465 4.908 1.00 0.00 O ATOM 1067 CB VAL A 73 4.912 7.714 4.451 1.00 0.00 C ATOM 1068 CG1 VAL A 73 3.424 7.462 4.273 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.688 6.414 4.344 1.00 0.00 C ATOM 0 H VAL A 73 7.273 8.634 4.370 1.00 0.00 H new ATOM 0 HA VAL A 73 5.144 8.428 2.429 1.00 0.00 H new ATOM 0 HB VAL A 73 5.076 8.122 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.090 6.724 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.877 8.393 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.236 7.088 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.306 5.701 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.572 6.003 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.744 6.603 4.539 1.00 0.00 H new ATOM 1079 N GLU A 74 4.466 10.869 2.713 1.00 0.00 N ATOM 1080 CA GLU A 74 3.714 12.097 2.896 1.00 0.00 C ATOM 1081 C GLU A 74 2.278 11.859 2.487 1.00 0.00 C ATOM 1082 O GLU A 74 2.014 11.017 1.633 1.00 0.00 O ATOM 1083 CB GLU A 74 4.283 13.254 2.066 1.00 0.00 C ATOM 1084 CG GLU A 74 5.768 13.502 2.286 1.00 0.00 C ATOM 1085 CD GLU A 74 6.257 14.754 1.585 1.00 0.00 C ATOM 1086 OE1 GLU A 74 6.089 15.861 2.144 1.00 0.00 O ATOM 1087 OE2 GLU A 74 6.810 14.646 0.470 1.00 0.00 O ATOM 0 H GLU A 74 4.719 10.664 1.746 1.00 0.00 H new ATOM 0 HA GLU A 74 3.782 12.376 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.112 13.048 1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.734 14.164 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.964 13.588 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.334 12.643 1.926 1.00 0.00 H new ATOM 1094 N LYS A 75 1.357 12.589 3.088 1.00 0.00 N ATOM 1095 CA LYS A 75 -0.034 12.498 2.686 1.00 0.00 C ATOM 1096 C LYS A 75 -0.202 13.085 1.292 1.00 0.00 C ATOM 1097 O LYS A 75 -0.416 14.288 1.143 1.00 0.00 O ATOM 1098 CB LYS A 75 -0.953 13.223 3.676 1.00 0.00 C ATOM 1099 CG LYS A 75 -1.000 12.582 5.052 1.00 0.00 C ATOM 1100 CD LYS A 75 -1.977 13.299 5.977 1.00 0.00 C ATOM 1101 CE LYS A 75 -3.413 13.215 5.467 1.00 0.00 C ATOM 1102 NZ LYS A 75 -4.372 13.887 6.383 1.00 0.00 N ATOM 0 H LYS A 75 1.543 13.244 3.847 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.318 11.446 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.619 14.256 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.962 13.253 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.291 11.536 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.004 12.596 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.920 12.862 6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.686 14.345 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.474 13.673 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.695 12.169 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.335 13.806 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.334 13.434 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.119 14.892 6.474 1.00 0.00 H new ATOM 1116 N ASN A 76 -0.028 12.240 0.284 1.00 0.00 N ATOM 1117 CA ASN A 76 -0.250 12.628 -1.102 1.00 0.00 C ATOM 1118 C ASN A 76 -1.650 12.244 -1.491 1.00 0.00 C ATOM 1119 O ASN A 76 -1.907 11.094 -1.839 1.00 0.00 O ATOM 1120 CB ASN A 76 0.730 11.927 -2.040 1.00 0.00 C ATOM 1121 CG ASN A 76 0.897 12.653 -3.366 1.00 0.00 C ATOM 1122 OD1 ASN A 76 0.140 12.437 -4.311 1.00 0.00 O ATOM 1123 ND2 ASN A 76 1.910 13.504 -3.456 1.00 0.00 N ATOM 0 H ASN A 76 0.269 11.272 0.403 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.099 13.704 -1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.700 11.846 -1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.383 10.911 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.081 14.003 -4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.519 13.659 -2.652 1.00 0.00 H new ATOM 1130 N PRO A 77 -2.579 13.189 -1.404 1.00 0.00 N ATOM 1131 CA PRO A 77 -3.980 12.921 -1.660 1.00 0.00 C ATOM 1132 C PRO A 77 -4.213 12.329 -3.036 1.00 0.00 C ATOM 1133 O PRO A 77 -3.463 12.577 -3.983 1.00 0.00 O ATOM 1134 CB PRO A 77 -4.641 14.291 -1.538 1.00 0.00 C ATOM 1135 CG PRO A 77 -3.718 15.066 -0.666 1.00 0.00 C ATOM 1136 CD PRO A 77 -2.343 14.598 -1.053 1.00 0.00 C ATOM 0 HA PRO A 77 -4.385 12.184 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.759 14.764 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.635 14.216 -1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.830 16.138 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.918 14.877 0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.942 15.165 -1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.633 14.699 -0.232 1.00 0.00 H new ATOM 1144 N ILE A 78 -5.267 11.549 -3.116 1.00 0.00 N ATOM 1145 CA ILE A 78 -5.656 10.866 -4.322 1.00 0.00 C ATOM 1146 C ILE A 78 -5.835 11.844 -5.469 1.00 0.00 C ATOM 1147 O ILE A 78 -6.806 12.602 -5.528 1.00 0.00 O ATOM 1148 CB ILE A 78 -6.968 10.075 -4.119 1.00 0.00 C ATOM 1149 CG1 ILE A 78 -7.655 10.434 -2.791 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -6.713 8.579 -4.197 1.00 0.00 C ATOM 1151 CD1 ILE A 78 -8.299 11.807 -2.777 1.00 0.00 C ATOM 0 H ILE A 78 -5.888 11.370 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.855 10.168 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.644 10.358 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.417 9.685 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.920 10.382 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.650 8.042 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.301 8.331 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.005 8.290 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.761 11.982 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.539 12.567 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.060 11.860 -3.555 1.00 0.00 H new ATOM 1163 N VAL A 79 -4.859 11.815 -6.357 1.00 0.00 N ATOM 1164 CA VAL A 79 -4.820 12.671 -7.530 1.00 0.00 C ATOM 1165 C VAL A 79 -4.666 14.136 -7.123 1.00 0.00 C ATOM 1166 O VAL A 79 -5.615 14.916 -7.168 1.00 0.00 O ATOM 1167 CB VAL A 79 -6.056 12.491 -8.447 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -5.897 13.290 -9.733 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -6.283 11.019 -8.763 1.00 0.00 C ATOM 0 H VAL A 79 -4.059 11.187 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.949 12.366 -8.110 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.928 12.868 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.777 13.148 -10.361 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.789 14.348 -9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.011 12.947 -10.267 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.156 10.916 -9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.407 10.617 -9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.450 10.469 -7.837 1.00 0.00 H new ATOM 1179 N ILE A 80 -3.475 14.474 -6.657 1.00 0.00 N ATOM 1180 CA ILE A 80 -3.141 15.847 -6.331 1.00 0.00 C ATOM 1181 C ILE A 80 -2.036 16.387 -7.228 1.00 0.00 C ATOM 1182 O ILE A 80 -0.990 15.760 -7.401 1.00 0.00 O ATOM 1183 CB ILE A 80 -2.717 15.966 -4.853 1.00 0.00 C ATOM 1184 CG1 ILE A 80 -3.946 16.147 -3.983 1.00 0.00 C ATOM 1185 CG2 ILE A 80 -1.731 17.107 -4.624 1.00 0.00 C ATOM 1186 CD1 ILE A 80 -4.749 17.382 -4.330 1.00 0.00 C ATOM 0 H ILE A 80 -2.719 13.809 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.036 16.445 -6.499 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.205 15.044 -4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.584 15.268 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.638 16.204 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.463 17.150 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.834 16.938 -5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.191 18.050 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.614 17.451 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.126 18.268 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.086 17.318 -5.365 1.00 0.00 H new ATOM 1198 N THR A 81 -2.292 17.544 -7.816 1.00 0.00 N ATOM 1199 CA THR A 81 -1.254 18.296 -8.490 1.00 0.00 C ATOM 1200 C THR A 81 -0.633 19.276 -7.496 1.00 0.00 C ATOM 1201 O THR A 81 -1.284 19.695 -6.535 1.00 0.00 O ATOM 1202 CB THR A 81 -1.797 19.052 -9.727 1.00 0.00 C ATOM 1203 OG1 THR A 81 -0.718 19.665 -10.447 1.00 0.00 O ATOM 1204 CG2 THR A 81 -2.807 20.115 -9.325 1.00 0.00 C ATOM 0 H THR A 81 -3.213 17.981 -7.838 1.00 0.00 H new ATOM 0 HA THR A 81 -0.499 17.598 -8.852 1.00 0.00 H new ATOM 0 HB THR A 81 -2.297 18.325 -10.367 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.073 20.139 -11.228 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.169 20.628 -10.216 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.645 19.645 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.331 20.836 -8.660 1.00 0.00 H new ATOM 1212 N GLY A 82 0.619 19.627 -7.711 1.00 0.00 N ATOM 1213 CA GLY A 82 1.314 20.479 -6.773 1.00 0.00 C ATOM 1214 C GLY A 82 0.954 21.941 -6.928 1.00 0.00 C ATOM 1215 O GLY A 82 1.124 22.518 -8.002 1.00 0.00 O ATOM 0 H GLY A 82 1.170 19.338 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.082 20.158 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.389 20.358 -6.907 1.00 0.00 H new ATOM 1219 N ALA A 83 0.435 22.532 -5.862 1.00 0.00 N ATOM 1220 CA ALA A 83 0.156 23.959 -5.841 1.00 0.00 C ATOM 1221 C ALA A 83 1.324 24.699 -5.206 1.00 0.00 C ATOM 1222 O ALA A 83 1.898 25.609 -5.803 1.00 0.00 O ATOM 1223 CB ALA A 83 -1.139 24.237 -5.091 1.00 0.00 C ATOM 0 H ALA A 83 0.198 22.043 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 83 0.032 24.316 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.333 25.310 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.963 23.722 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.050 23.878 -4.066 1.00 0.00 H new ATOM 1229 N ASP A 84 1.673 24.292 -3.995 1.00 0.00 N ATOM 1230 CA ASP A 84 2.846 24.819 -3.308 1.00 0.00 C ATOM 1231 C ASP A 84 3.980 23.814 -3.411 1.00 0.00 C ATOM 1232 O ASP A 84 5.137 24.121 -3.132 1.00 0.00 O ATOM 1233 CB ASP A 84 2.540 25.117 -1.835 1.00 0.00 C ATOM 1234 CG ASP A 84 1.532 26.234 -1.659 1.00 0.00 C ATOM 1235 OD1 ASP A 84 1.823 27.377 -2.068 1.00 0.00 O ATOM 1236 OD2 ASP A 84 0.443 25.978 -1.101 1.00 0.00 O ATOM 0 H ASP A 84 1.156 23.592 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 84 3.137 25.755 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.161 24.213 -1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.465 25.384 -1.323 1.00 0.00 H new ATOM 1241 N ARG A 85 3.621 22.596 -3.806 1.00 0.00 N ATOM 1242 CA ARG A 85 4.592 21.528 -4.015 1.00 0.00 C ATOM 1243 C ARG A 85 5.230 21.648 -5.395 1.00 0.00 C ATOM 1244 O ARG A 85 6.158 20.912 -5.731 1.00 0.00 O ATOM 1245 CB ARG A 85 3.907 20.166 -3.877 1.00 0.00 C ATOM 1246 CG ARG A 85 3.356 19.890 -2.486 1.00 0.00 C ATOM 1247 CD ARG A 85 4.465 19.664 -1.471 1.00 0.00 C ATOM 1248 NE ARG A 85 5.280 18.497 -1.808 1.00 0.00 N ATOM 1249 CZ ARG A 85 5.664 17.568 -0.934 1.00 0.00 C ATOM 1250 NH1 ARG A 85 5.342 17.682 0.348 1.00 0.00 N ATOM 1251 NH2 ARG A 85 6.381 16.529 -1.338 1.00 0.00 N ATOM 0 H ARG A 85 2.655 22.323 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 85 5.373 21.617 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.092 20.106 -4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.620 19.384 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.738 20.729 -2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.710 19.013 -2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.100 20.549 -1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.030 19.530 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 85 5.574 18.387 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.798 18.483 0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.638 16.968 1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.640 16.439 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.674 15.819 -0.666 1.00 0.00 H new ATOM 1265 N LEU A 86 4.722 22.573 -6.193 1.00 0.00 N ATOM 1266 CA LEU A 86 5.253 22.806 -7.525 1.00 0.00 C ATOM 1267 C LEU A 86 6.144 24.039 -7.519 1.00 0.00 C ATOM 1268 O LEU A 86 5.682 25.149 -7.243 1.00 0.00 O ATOM 1269 CB LEU A 86 4.117 22.991 -8.531 1.00 0.00 C ATOM 1270 CG LEU A 86 4.555 23.226 -9.980 1.00 0.00 C ATOM 1271 CD1 LEU A 86 5.270 22.004 -10.541 1.00 0.00 C ATOM 1272 CD2 LEU A 86 3.354 23.586 -10.845 1.00 0.00 C ATOM 0 H LEU A 86 3.940 23.176 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 86 5.842 21.938 -7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.480 22.107 -8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.506 23.836 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 86 5.256 24.060 -9.991 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.570 22.199 -11.571 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.154 21.792 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.599 21.146 -10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.681 23.750 -11.872 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.631 22.771 -10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.890 24.495 -10.463 1.00 0.00 H new ATOM 1284 N LYS A 87 7.418 23.837 -7.803 1.00 0.00 N ATOM 1285 CA LYS A 87 8.367 24.937 -7.856 1.00 0.00 C ATOM 1286 C LYS A 87 8.328 25.582 -9.232 1.00 0.00 C ATOM 1287 O LYS A 87 8.400 24.893 -10.252 1.00 0.00 O ATOM 1288 CB LYS A 87 9.787 24.446 -7.562 1.00 0.00 C ATOM 1289 CG LYS A 87 10.792 25.574 -7.358 1.00 0.00 C ATOM 1290 CD LYS A 87 12.224 25.060 -7.348 1.00 0.00 C ATOM 1291 CE LYS A 87 12.687 24.679 -8.748 1.00 0.00 C ATOM 1292 NZ LYS A 87 12.768 25.861 -9.650 1.00 0.00 N ATOM 0 H LYS A 87 7.821 22.921 -8.001 1.00 0.00 H new ATOM 0 HA LYS A 87 8.088 25.669 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.769 23.821 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.123 23.816 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.676 26.312 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.582 26.082 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.884 25.826 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.297 24.194 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.665 24.201 -8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.999 23.947 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.374 25.635 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.815 26.108 -9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.172 26.667 -9.131 1.00 0.00 H new ATOM 1306 N ARG A 88 8.206 26.899 -9.263 1.00 0.00 N ATOM 1307 CA ARG A 88 8.218 27.627 -10.523 1.00 0.00 C ATOM 1308 C ARG A 88 9.654 27.852 -10.981 1.00 0.00 C ATOM 1309 O ARG A 88 10.591 27.332 -10.377 1.00 0.00 O ATOM 1310 CB ARG A 88 7.478 28.960 -10.387 1.00 0.00 C ATOM 1311 CG ARG A 88 6.012 28.798 -10.022 1.00 0.00 C ATOM 1312 CD ARG A 88 5.274 30.127 -10.035 1.00 0.00 C ATOM 1313 NE ARG A 88 3.903 29.983 -9.548 1.00 0.00 N ATOM 1314 CZ ARG A 88 2.951 30.905 -9.692 1.00 0.00 C ATOM 1315 NH1 ARG A 88 3.196 32.038 -10.341 1.00 0.00 N ATOM 1316 NH2 ARG A 88 1.743 30.685 -9.193 1.00 0.00 N ATOM 0 H ARG A 88 8.098 27.484 -8.435 1.00 0.00 H new ATOM 0 HA ARG A 88 7.700 27.031 -11.275 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.970 29.565 -9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.553 29.507 -11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.537 28.112 -10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.932 28.348 -9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.808 30.847 -9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.261 30.527 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 88 3.658 29.118 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.121 32.210 -10.736 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.459 32.736 -10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.545 29.813 -8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.011 31.387 -9.300 1.00 0.00 H new ATOM 1330 N MET A 89 9.828 28.617 -12.045 1.00 0.00 N ATOM 1331 CA MET A 89 11.156 28.860 -12.587 1.00 0.00 C ATOM 1332 C MET A 89 11.702 30.179 -12.072 1.00 0.00 C ATOM 1333 O MET A 89 12.801 30.243 -11.525 1.00 0.00 O ATOM 1334 CB MET A 89 11.117 28.882 -14.115 1.00 0.00 C ATOM 1335 CG MET A 89 10.679 27.567 -14.737 1.00 0.00 C ATOM 1336 SD MET A 89 10.545 27.656 -16.537 1.00 0.00 S ATOM 1337 CE MET A 89 9.289 28.920 -16.729 1.00 0.00 C ATOM 0 H MET A 89 9.071 29.079 -12.549 1.00 0.00 H new ATOM 0 HA MET A 89 11.810 28.051 -12.262 1.00 0.00 H new ATOM 0 HB2 MET A 89 10.439 29.671 -14.440 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.108 29.139 -14.491 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.392 26.788 -14.468 1.00 0.00 H new ATOM 0 HG3 MET A 89 9.715 27.275 -14.319 1.00 0.00 H new ATOM 0 HE1 MET A 89 8.808 28.810 -17.701 1.00 0.00 H new ATOM 0 HE2 MET A 89 8.543 28.815 -15.941 1.00 0.00 H new ATOM 0 HE3 MET A 89 9.751 29.905 -16.662 1.00 0.00 H new ATOM 1347 N GLU A 90 10.904 31.222 -12.232 1.00 0.00 N ATOM 1348 CA GLU A 90 11.304 32.574 -11.881 1.00 0.00 C ATOM 1349 C GLU A 90 11.347 32.766 -10.371 1.00 0.00 C ATOM 1350 O GLU A 90 12.203 33.485 -9.850 1.00 0.00 O ATOM 1351 CB GLU A 90 10.353 33.601 -12.519 1.00 0.00 C ATOM 1352 CG GLU A 90 8.867 33.329 -12.286 1.00 0.00 C ATOM 1353 CD GLU A 90 8.305 32.257 -13.203 1.00 0.00 C ATOM 1354 OE1 GLU A 90 8.362 31.060 -12.841 1.00 0.00 O ATOM 1355 OE2 GLU A 90 7.812 32.604 -14.296 1.00 0.00 O ATOM 0 H GLU A 90 9.959 31.154 -12.610 1.00 0.00 H new ATOM 0 HA GLU A 90 12.310 32.733 -12.271 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.593 34.590 -12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.539 33.630 -13.593 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.718 33.026 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.308 34.253 -12.432 1.00 0.00 H new ATOM 1362 N LYS A 91 10.428 32.125 -9.670 1.00 0.00 N ATOM 1363 CA LYS A 91 10.334 32.288 -8.230 1.00 0.00 C ATOM 1364 C LYS A 91 10.791 31.030 -7.504 1.00 0.00 C ATOM 1365 O LYS A 91 10.064 30.036 -7.438 1.00 0.00 O ATOM 1366 CB LYS A 91 8.902 32.641 -7.820 1.00 0.00 C ATOM 1367 CG LYS A 91 8.745 32.858 -6.322 1.00 0.00 C ATOM 1368 CD LYS A 91 7.322 33.240 -5.955 1.00 0.00 C ATOM 1369 CE LYS A 91 7.170 33.440 -4.456 1.00 0.00 C ATOM 1370 NZ LYS A 91 8.028 34.544 -3.947 1.00 0.00 N ATOM 0 H LYS A 91 9.739 31.489 -10.072 1.00 0.00 H new ATOM 0 HA LYS A 91 10.994 33.107 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.592 33.544 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.232 31.842 -8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.026 31.948 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.428 33.642 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.044 34.156 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.637 32.462 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.127 33.656 -4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.427 32.515 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.748 34.781 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.023 34.243 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.913 35.381 -4.553 1.00 0.00 H new ATOM 1384 N ASN A 92 12.002 31.073 -6.975 1.00 0.00 N ATOM 1385 CA ASN A 92 12.514 29.979 -6.165 1.00 0.00 C ATOM 1386 C ASN A 92 12.502 30.370 -4.696 1.00 0.00 C ATOM 1387 O ASN A 92 13.392 31.078 -4.224 1.00 0.00 O ATOM 1388 CB ASN A 92 13.940 29.602 -6.581 1.00 0.00 C ATOM 1389 CG ASN A 92 14.010 28.971 -7.960 1.00 0.00 C ATOM 1390 OD1 ASN A 92 13.085 28.285 -8.391 1.00 0.00 O ATOM 1391 ND2 ASN A 92 15.113 29.192 -8.659 1.00 0.00 N ATOM 0 H ASN A 92 12.649 31.853 -7.091 1.00 0.00 H new ATOM 0 HA ASN A 92 11.868 29.115 -6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 92 14.565 30.495 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 92 14.354 28.909 -5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 92 15.217 28.787 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 92 15.859 29.767 -8.267 1.00 0.00 H new ATOM 1398 N GLY A 93 11.477 29.929 -3.984 1.00 0.00 N ATOM 1399 CA GLY A 93 11.412 30.165 -2.555 1.00 0.00 C ATOM 1400 C GLY A 93 12.045 29.036 -1.778 1.00 0.00 C ATOM 1401 O GLY A 93 12.521 29.220 -0.657 1.00 0.00 O ATOM 0 H GLY A 93 10.687 29.411 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.918 31.101 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.371 30.279 -2.251 1.00 0.00 H new ATOM 1405 N MET A 94 12.047 27.860 -2.384 1.00 0.00 N ATOM 1406 CA MET A 94 12.611 26.669 -1.772 1.00 0.00 C ATOM 1407 C MET A 94 13.946 26.353 -2.435 1.00 0.00 C ATOM 1408 O MET A 94 14.315 26.992 -3.422 1.00 0.00 O ATOM 1409 CB MET A 94 11.629 25.501 -1.934 1.00 0.00 C ATOM 1410 CG MET A 94 11.960 24.270 -1.102 1.00 0.00 C ATOM 1411 SD MET A 94 10.736 22.955 -1.295 1.00 0.00 S ATOM 1412 CE MET A 94 9.251 23.790 -0.740 1.00 0.00 C ATOM 0 H MET A 94 11.658 27.705 -3.314 1.00 0.00 H new ATOM 0 HA MET A 94 12.779 26.834 -0.708 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.630 25.845 -1.667 1.00 0.00 H new ATOM 0 HB3 MET A 94 11.597 25.214 -2.985 1.00 0.00 H new ATOM 0 HG2 MET A 94 12.941 23.894 -1.390 1.00 0.00 H new ATOM 0 HG3 MET A 94 12.023 24.552 -0.051 1.00 0.00 H new ATOM 0 HE1 MET A 94 8.520 23.052 -0.411 1.00 0.00 H new ATOM 0 HE2 MET A 94 9.495 24.454 0.089 1.00 0.00 H new ATOM 0 HE3 MET A 94 8.833 24.373 -1.561 1.00 0.00 H new ATOM 1422 N ARG A 95 14.681 25.396 -1.890 1.00 0.00 N ATOM 1423 CA ARG A 95 15.948 24.991 -2.479 1.00 0.00 C ATOM 1424 C ARG A 95 15.744 24.258 -3.802 1.00 0.00 C ATOM 1425 O ARG A 95 14.661 23.738 -4.086 1.00 0.00 O ATOM 1426 CB ARG A 95 16.737 24.101 -1.527 1.00 0.00 C ATOM 1427 CG ARG A 95 17.377 24.847 -0.373 1.00 0.00 C ATOM 1428 CD ARG A 95 18.320 23.940 0.395 1.00 0.00 C ATOM 1429 NE ARG A 95 19.320 23.343 -0.488 1.00 0.00 N ATOM 1430 CZ ARG A 95 19.499 22.032 -0.642 1.00 0.00 C ATOM 1431 NH1 ARG A 95 18.832 21.171 0.121 1.00 0.00 N ATOM 1432 NH2 ARG A 95 20.370 21.593 -1.544 1.00 0.00 N ATOM 0 H ARG A 95 14.424 24.887 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 95 16.513 25.904 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.072 23.335 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 95 17.516 23.585 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 95 17.923 25.712 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 95 16.604 25.225 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 95 18.818 24.510 1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.750 23.152 0.887 1.00 0.00 H new ATOM 0 HE ARG A 95 19.920 23.972 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 95 18.181 21.514 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.972 20.168 0.000 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.895 22.258 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 95 20.514 20.591 -1.669 1.00 0.00 H new ATOM 1446 N TYR A 96 16.801 24.219 -4.595 1.00 0.00 N ATOM 1447 CA TYR A 96 16.788 23.544 -5.880 1.00 0.00 C ATOM 1448 C TYR A 96 18.015 22.655 -5.995 1.00 0.00 C ATOM 1449 O TYR A 96 18.943 22.770 -5.193 1.00 0.00 O ATOM 1450 CB TYR A 96 16.760 24.563 -7.026 1.00 0.00 C ATOM 1451 CG TYR A 96 17.889 25.571 -6.971 1.00 0.00 C ATOM 1452 CD1 TYR A 96 17.743 26.762 -6.272 1.00 0.00 C ATOM 1453 CD2 TYR A 96 19.099 25.328 -7.610 1.00 0.00 C ATOM 1454 CE1 TYR A 96 18.769 27.682 -6.209 1.00 0.00 C ATOM 1455 CE2 TYR A 96 20.129 26.246 -7.552 1.00 0.00 C ATOM 1456 CZ TYR A 96 19.957 27.419 -6.850 1.00 0.00 C ATOM 1457 OH TYR A 96 20.982 28.333 -6.783 1.00 0.00 O ATOM 0 H TYR A 96 17.694 24.656 -4.365 1.00 0.00 H new ATOM 0 HA TYR A 96 15.889 22.931 -5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 96 16.806 24.030 -7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 96 15.809 25.095 -7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 96 16.810 26.972 -5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 96 19.236 24.408 -8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 96 18.640 28.603 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 96 21.064 26.046 -8.054 1.00 0.00 H new ATOM 0 HH TYR A 96 21.753 27.998 -7.287 1.00 0.00 H new ATOM 1467 N ALA A 97 18.012 21.775 -6.980 1.00 0.00 N ATOM 1468 CA ALA A 97 19.136 20.885 -7.212 1.00 0.00 C ATOM 1469 C ALA A 97 20.225 21.602 -8.004 1.00 0.00 C ATOM 1470 O ALA A 97 20.046 21.910 -9.182 1.00 0.00 O ATOM 1471 CB ALA A 97 18.679 19.631 -7.942 1.00 0.00 C ATOM 0 H ALA A 97 17.239 21.657 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 97 19.550 20.588 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 97 19.533 18.975 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 97 17.934 19.111 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 97 18.242 19.907 -8.902 1.00 0.00 H new ATOM 1477 N PRO A 98 21.370 21.883 -7.366 1.00 0.00 N ATOM 1478 CA PRO A 98 22.472 22.612 -7.989 1.00 0.00 C ATOM 1479 C PRO A 98 23.428 21.681 -8.734 1.00 0.00 C ATOM 1480 O PRO A 98 24.610 21.984 -8.906 1.00 0.00 O ATOM 1481 CB PRO A 98 23.149 23.250 -6.781 1.00 0.00 C ATOM 1482 CG PRO A 98 22.971 22.256 -5.681 1.00 0.00 C ATOM 1483 CD PRO A 98 21.693 21.506 -5.974 1.00 0.00 C ATOM 0 HA PRO A 98 22.146 23.326 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.204 23.443 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.691 24.206 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 98 23.819 21.573 -5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 98 22.913 22.756 -4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.830 20.429 -5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.896 21.792 -5.288 1.00 0.00 H new ATOM 1491 N GLY A 99 22.896 20.558 -9.186 1.00 0.00 N ATOM 1492 CA GLY A 99 23.693 19.566 -9.868 1.00 0.00 C ATOM 1493 C GLY A 99 23.024 18.216 -9.821 1.00 0.00 C ATOM 1494 O GLY A 99 22.917 17.538 -10.844 1.00 0.00 O ATOM 0 H GLY A 99 21.910 20.315 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 99 23.845 19.865 -10.905 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.678 19.505 -9.406 1.00 0.00 H new ATOM 1498 N GLU A 100 22.568 17.842 -8.622 1.00 0.00 N ATOM 1499 CA GLU A 100 21.825 16.604 -8.402 1.00 0.00 C ATOM 1500 C GLU A 100 22.617 15.405 -8.911 1.00 0.00 C ATOM 1501 O GLU A 100 22.260 14.855 -9.970 1.00 0.00 O ATOM 1502 CB GLU A 100 20.455 16.679 -9.085 1.00 0.00 C ATOM 1503 CG GLU A 100 19.308 16.146 -8.235 1.00 0.00 C ATOM 1504 CD GLU A 100 19.395 14.657 -7.968 1.00 0.00 C ATOM 1505 OE1 GLU A 100 18.935 13.870 -8.824 1.00 0.00 O ATOM 1506 OE2 GLU A 100 19.896 14.269 -6.892 1.00 0.00 O ATOM 1507 OXT GLU A 100 23.622 15.046 -8.263 1.00 0.00 O ATOM 0 H GLU A 100 22.706 18.394 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 100 21.670 16.477 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 100 20.248 17.716 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 100 20.494 16.116 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 100 19.294 16.678 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 100 18.364 16.363 -8.735 1.00 0.00 H new TER 1514 GLU A 100