USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 718 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 30 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 ASN : amide:sc= 0.123 K(o=0.12,f=-2.9!) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0861 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 42:sc= 0.541 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -80:sc= 0.542 USER MOD Single : A 24 SER OG : rot 34:sc= 0.512 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 29 SER OG : rot -137:sc= 0.179 USER MOD Single : A 31 SER OG : rot 36:sc= 0.67 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.439 K(o=-0.44,f=-4.4!) USER MOD Single : A 53 HIS : no HE2:sc= 0.0566 X(o=0.057,f=-0.29) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 46:sc= 0.318 USER MOD Single : A 71 SER OG : rot 120:sc= 0.529 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0865 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0794 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.067 X(o=-0.067,f=-0.35) USER MOD Single : A 112 SER OG : rot 36:sc= 0.577 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.420 10.726 5.540 1.00 0.00 N ATOM 2 CA ALA A 1 -16.689 10.667 4.248 1.00 0.00 C ATOM 3 C ALA A 1 -17.644 10.946 3.091 1.00 0.00 C ATOM 4 O ALA A 1 -18.839 10.755 3.235 1.00 0.00 O ATOM 5 CB ALA A 1 -16.087 9.270 4.052 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.035 10.011 6.190 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.308 11.671 5.960 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.430 10.538 5.377 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.898 11.417 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.553 9.234 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.395 9.054 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.885 8.527 4.048 1.00 0.00 H new ATOM 13 N SER A 2 -17.064 11.393 1.980 1.00 0.00 N ATOM 14 CA SER A 2 -17.819 11.732 0.719 1.00 0.00 C ATOM 15 C SER A 2 -16.776 11.902 -0.409 1.00 0.00 C ATOM 16 O SER A 2 -16.161 12.955 -0.551 1.00 0.00 O ATOM 17 CB SER A 2 -18.643 13.052 0.904 1.00 0.00 C ATOM 18 OG SER A 2 -18.934 13.499 -0.416 1.00 0.00 O ATOM 0 H SER A 2 -16.058 11.540 1.902 1.00 0.00 H new ATOM 0 HA SER A 2 -18.526 10.940 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.557 12.869 1.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.072 13.799 1.456 1.00 0.00 H new ATOM 0 HG SER A 2 -19.454 14.328 -0.373 1.00 0.00 H new ATOM 24 N ALA A 3 -16.524 10.787 -1.093 1.00 0.00 N ATOM 25 CA ALA A 3 -15.541 10.721 -2.241 1.00 0.00 C ATOM 26 C ALA A 3 -15.778 9.417 -3.022 1.00 0.00 C ATOM 27 O ALA A 3 -15.676 8.346 -2.440 1.00 0.00 O ATOM 28 CB ALA A 3 -14.094 10.690 -1.691 1.00 0.00 C ATOM 0 H ALA A 3 -16.977 9.896 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.679 11.592 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.390 10.642 -2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.907 11.592 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.965 9.814 -1.056 1.00 0.00 H new ATOM 34 N ALA A 4 -16.068 9.554 -4.322 1.00 0.00 N ATOM 35 CA ALA A 4 -16.330 8.367 -5.216 1.00 0.00 C ATOM 36 C ALA A 4 -15.021 7.705 -5.667 1.00 0.00 C ATOM 37 O ALA A 4 -14.129 8.408 -6.118 1.00 0.00 O ATOM 38 CB ALA A 4 -17.040 8.879 -6.478 1.00 0.00 C ATOM 0 H ALA A 4 -16.132 10.455 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.926 7.640 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.243 8.042 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.979 9.357 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.402 9.602 -6.986 1.00 0.00 H new ATOM 44 N VAL A 5 -14.956 6.372 -5.478 1.00 0.00 N ATOM 45 CA VAL A 5 -13.773 5.491 -5.844 1.00 0.00 C ATOM 46 C VAL A 5 -14.448 4.335 -6.605 1.00 0.00 C ATOM 47 O VAL A 5 -15.546 3.939 -6.237 1.00 0.00 O ATOM 48 CB VAL A 5 -12.986 4.899 -4.547 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.517 4.354 -4.914 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.907 5.963 -3.370 1.00 0.00 C ATOM 0 H VAL A 5 -15.724 5.846 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.017 6.042 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.573 4.049 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.036 3.971 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.599 3.555 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.920 5.167 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.375 5.530 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.377 6.850 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.915 6.240 -3.062 1.00 0.00 H new ATOM 60 N SER A 6 -13.805 3.904 -7.685 1.00 0.00 N ATOM 61 CA SER A 6 -14.327 2.774 -8.549 1.00 0.00 C ATOM 62 C SER A 6 -13.209 2.209 -9.434 1.00 0.00 C ATOM 63 O SER A 6 -12.364 2.963 -9.886 1.00 0.00 O ATOM 64 CB SER A 6 -15.432 3.306 -9.493 1.00 0.00 C ATOM 65 OG SER A 6 -16.647 3.076 -8.795 1.00 0.00 O ATOM 0 H SER A 6 -12.922 4.298 -8.008 1.00 0.00 H new ATOM 0 HA SER A 6 -14.713 1.999 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.293 4.366 -9.707 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.420 2.784 -10.450 1.00 0.00 H new ATOM 0 HG SER A 6 -16.529 3.304 -7.849 1.00 0.00 H new ATOM 71 N VAL A 7 -13.248 0.874 -9.597 1.00 0.00 N ATOM 72 CA VAL A 7 -12.268 0.056 -10.424 1.00 0.00 C ATOM 73 C VAL A 7 -13.225 -0.732 -11.344 1.00 0.00 C ATOM 74 O VAL A 7 -14.318 -1.060 -10.901 1.00 0.00 O ATOM 75 CB VAL A 7 -11.401 -0.949 -9.489 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.124 -1.558 -10.256 1.00 0.00 C ATOM 77 CG2 VAL A 7 -10.960 -0.257 -8.120 1.00 0.00 C ATOM 0 H VAL A 7 -13.967 0.298 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.528 0.655 -10.955 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.062 -1.781 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.580 -2.223 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.457 -2.118 -11.130 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.469 -0.747 -10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.382 -0.964 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.349 0.620 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.847 0.046 -7.564 1.00 0.00 H new ATOM 87 N SER A 8 -12.821 -0.934 -12.608 1.00 0.00 N ATOM 88 CA SER A 8 -13.665 -1.693 -13.625 1.00 0.00 C ATOM 89 C SER A 8 -12.750 -2.185 -14.848 1.00 0.00 C ATOM 90 O SER A 8 -12.232 -1.285 -15.504 1.00 0.00 O ATOM 91 CB SER A 8 -14.715 -0.684 -14.177 1.00 0.00 C ATOM 92 OG SER A 8 -15.102 -1.205 -15.443 1.00 0.00 O ATOM 0 H SER A 8 -11.931 -0.598 -12.975 1.00 0.00 H new ATOM 0 HA SER A 8 -14.131 -2.562 -13.160 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.571 -0.600 -13.507 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.288 0.314 -14.275 1.00 0.00 H new ATOM 0 HG SER A 8 -15.769 -0.614 -15.850 1.00 0.00 H new ATOM 98 N PRO A 9 -12.443 -3.541 -15.153 1.00 0.00 N ATOM 99 CA PRO A 9 -12.795 -4.819 -14.392 1.00 0.00 C ATOM 100 C PRO A 9 -12.151 -4.861 -12.994 1.00 0.00 C ATOM 101 O PRO A 9 -11.111 -4.250 -12.804 1.00 0.00 O ATOM 102 CB PRO A 9 -12.215 -5.972 -15.229 1.00 0.00 C ATOM 103 CG PRO A 9 -11.618 -5.385 -16.515 1.00 0.00 C ATOM 104 CD PRO A 9 -11.708 -3.860 -16.432 1.00 0.00 C ATOM 0 HA PRO A 9 -13.874 -4.881 -14.251 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.449 -6.503 -14.664 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.994 -6.696 -15.469 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.580 -5.699 -16.630 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.160 -5.751 -17.387 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.714 -3.413 -16.430 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.238 -3.455 -17.295 1.00 0.00 H new ATOM 112 N ALA A 10 -12.842 -5.557 -12.067 1.00 0.00 N ATOM 113 CA ALA A 10 -12.395 -5.727 -10.616 1.00 0.00 C ATOM 114 C ALA A 10 -12.585 -7.155 -10.093 1.00 0.00 C ATOM 115 O ALA A 10 -12.126 -7.425 -8.996 1.00 0.00 O ATOM 116 CB ALA A 10 -13.301 -4.837 -9.740 1.00 0.00 C ATOM 0 H ALA A 10 -13.724 -6.025 -12.274 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.337 -5.470 -10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.007 -4.936 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.198 -3.797 -10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.339 -5.149 -9.856 1.00 0.00 H new ATOM 122 N THR A 11 -13.276 -8.002 -10.877 1.00 0.00 N ATOM 123 CA THR A 11 -13.559 -9.457 -10.508 1.00 0.00 C ATOM 124 C THR A 11 -13.248 -10.363 -11.706 1.00 0.00 C ATOM 125 O THR A 11 -13.291 -9.912 -12.842 1.00 0.00 O ATOM 126 CB THR A 11 -15.082 -9.646 -10.177 1.00 0.00 C ATOM 127 OG1 THR A 11 -15.759 -9.310 -11.372 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.679 -8.647 -9.143 1.00 0.00 C ATOM 0 H THR A 11 -13.663 -7.730 -11.781 1.00 0.00 H new ATOM 0 HA THR A 11 -12.942 -9.713 -9.647 1.00 0.00 H new ATOM 0 HB THR A 11 -15.191 -10.656 -9.781 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.725 -9.408 -11.239 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.735 -8.869 -8.990 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.148 -8.742 -8.196 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.573 -7.629 -9.518 1.00 0.00 H new ATOM 136 N GLY A 12 -12.902 -11.613 -11.391 1.00 0.00 N ATOM 137 CA GLY A 12 -12.561 -12.657 -12.433 1.00 0.00 C ATOM 138 C GLY A 12 -11.212 -12.386 -13.118 1.00 0.00 C ATOM 139 O GLY A 12 -11.030 -12.776 -14.262 1.00 0.00 O ATOM 0 H GLY A 12 -12.843 -11.953 -10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.535 -13.640 -11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.348 -12.685 -13.186 1.00 0.00 H new ATOM 143 N LEU A 13 -10.315 -11.752 -12.370 1.00 0.00 N ATOM 144 CA LEU A 13 -8.933 -11.397 -12.869 1.00 0.00 C ATOM 145 C LEU A 13 -8.052 -12.664 -12.969 1.00 0.00 C ATOM 146 O LEU A 13 -8.309 -13.638 -12.276 1.00 0.00 O ATOM 147 CB LEU A 13 -8.244 -10.421 -11.824 1.00 0.00 C ATOM 148 CG LEU A 13 -9.059 -9.069 -11.373 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.134 -8.147 -10.440 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.642 -8.216 -12.593 1.00 0.00 C ATOM 0 H LEU A 13 -10.493 -11.460 -11.409 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.028 -10.931 -13.850 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.028 -10.996 -10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.286 -10.109 -12.241 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.927 -9.418 -10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.687 -7.254 -10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.847 -8.704 -9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.239 -7.856 -10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.165 -7.341 -12.208 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.823 -7.895 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.336 -8.830 -13.167 1.00 0.00 H new ATOM 162 N ALA A 14 -7.061 -12.572 -13.872 1.00 0.00 N ATOM 163 CA ALA A 14 -6.047 -13.654 -14.182 1.00 0.00 C ATOM 164 C ALA A 14 -4.647 -13.024 -14.119 1.00 0.00 C ATOM 165 O ALA A 14 -4.541 -11.871 -13.737 1.00 0.00 O ATOM 166 CB ALA A 14 -6.336 -14.150 -15.618 1.00 0.00 C ATOM 0 H ALA A 14 -6.919 -11.732 -14.433 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.104 -14.483 -13.477 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.625 -14.933 -15.882 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.350 -14.548 -15.668 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.237 -13.319 -16.317 1.00 0.00 H new ATOM 172 N ASP A 15 -3.625 -13.808 -14.459 1.00 0.00 N ATOM 173 CA ASP A 15 -2.192 -13.326 -14.445 1.00 0.00 C ATOM 174 C ASP A 15 -1.918 -12.244 -15.516 1.00 0.00 C ATOM 175 O ASP A 15 -2.243 -12.447 -16.677 1.00 0.00 O ATOM 176 CB ASP A 15 -1.308 -14.554 -14.747 1.00 0.00 C ATOM 177 CG ASP A 15 0.113 -14.119 -15.136 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.785 -13.598 -14.260 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.453 -14.349 -16.288 1.00 0.00 O ATOM 0 H ASP A 15 -3.733 -14.780 -14.750 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.978 -12.877 -13.475 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.268 -15.203 -13.872 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.750 -15.136 -15.556 1.00 0.00 H new ATOM 184 N GLY A 16 -1.350 -11.118 -15.066 1.00 0.00 N ATOM 185 CA GLY A 16 -1.010 -9.955 -15.971 1.00 0.00 C ATOM 186 C GLY A 16 -2.257 -9.213 -16.481 1.00 0.00 C ATOM 187 O GLY A 16 -2.209 -8.639 -17.559 1.00 0.00 O ATOM 0 H GLY A 16 -1.107 -10.964 -14.087 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.372 -9.255 -15.432 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.436 -10.319 -16.823 1.00 0.00 H new ATOM 191 N ALA A 17 -3.316 -9.229 -15.671 1.00 0.00 N ATOM 192 CA ALA A 17 -4.614 -8.547 -16.032 1.00 0.00 C ATOM 193 C ALA A 17 -4.518 -7.018 -15.957 1.00 0.00 C ATOM 194 O ALA A 17 -4.129 -6.493 -14.925 1.00 0.00 O ATOM 195 CB ALA A 17 -5.680 -8.976 -15.018 1.00 0.00 C ATOM 0 H ALA A 17 -3.327 -9.695 -14.764 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.858 -8.833 -17.055 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.627 -8.494 -15.260 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.803 -10.058 -15.056 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.369 -8.681 -14.016 1.00 0.00 H new ATOM 201 N THR A 18 -4.914 -6.365 -17.051 1.00 0.00 N ATOM 202 CA THR A 18 -4.894 -4.868 -17.162 1.00 0.00 C ATOM 203 C THR A 18 -6.173 -4.357 -16.477 1.00 0.00 C ATOM 204 O THR A 18 -7.224 -4.961 -16.656 1.00 0.00 O ATOM 205 CB THR A 18 -4.903 -4.539 -18.699 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.949 -5.431 -19.241 1.00 0.00 O ATOM 207 CG2 THR A 18 -4.333 -3.139 -19.100 1.00 0.00 C ATOM 0 H THR A 18 -5.258 -6.835 -17.889 1.00 0.00 H new ATOM 0 HA THR A 18 -4.026 -4.403 -16.694 1.00 0.00 H new ATOM 0 HB THR A 18 -5.939 -4.594 -19.034 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.888 -5.296 -20.210 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.388 -3.020 -20.182 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.919 -2.356 -18.618 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.294 -3.064 -18.779 1.00 0.00 H new ATOM 215 N VAL A 19 -6.007 -3.323 -15.640 1.00 0.00 N ATOM 216 CA VAL A 19 -7.140 -2.662 -14.858 1.00 0.00 C ATOM 217 C VAL A 19 -6.969 -1.137 -14.944 1.00 0.00 C ATOM 218 O VAL A 19 -5.841 -0.669 -14.978 1.00 0.00 O ATOM 219 CB VAL A 19 -7.189 -3.166 -13.313 1.00 0.00 C ATOM 220 CG1 VAL A 19 -7.476 -4.734 -13.215 1.00 0.00 C ATOM 221 CG2 VAL A 19 -5.881 -2.772 -12.464 1.00 0.00 C ATOM 0 H VAL A 19 -5.096 -2.898 -15.464 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.093 -2.951 -15.301 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.023 -2.630 -12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.502 -5.034 -12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.436 -4.958 -13.680 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.687 -5.281 -13.730 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.985 -3.141 -11.444 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.000 -3.220 -12.924 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.770 -1.688 -12.448 1.00 0.00 H new ATOM 231 N THR A 20 -8.125 -0.443 -14.965 1.00 0.00 N ATOM 232 CA THR A 20 -8.229 1.064 -15.050 1.00 0.00 C ATOM 233 C THR A 20 -8.833 1.619 -13.740 1.00 0.00 C ATOM 234 O THR A 20 -10.038 1.549 -13.548 1.00 0.00 O ATOM 235 CB THR A 20 -9.177 1.322 -16.283 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.363 1.019 -17.398 1.00 0.00 O ATOM 237 CG2 THR A 20 -9.608 2.803 -16.570 1.00 0.00 C ATOM 0 H THR A 20 -9.035 -0.901 -14.924 1.00 0.00 H new ATOM 0 HA THR A 20 -7.266 1.558 -15.177 1.00 0.00 H new ATOM 0 HB THR A 20 -10.086 0.752 -16.092 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.876 1.151 -18.223 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.258 2.830 -17.445 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.144 3.200 -15.708 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.722 3.410 -16.757 1.00 0.00 H new ATOM 245 N VAL A 21 -7.956 2.186 -12.901 1.00 0.00 N ATOM 246 CA VAL A 21 -8.364 2.786 -11.568 1.00 0.00 C ATOM 247 C VAL A 21 -8.934 4.169 -11.923 1.00 0.00 C ATOM 248 O VAL A 21 -8.486 4.760 -12.895 1.00 0.00 O ATOM 249 CB VAL A 21 -7.034 2.885 -10.635 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.158 3.907 -9.392 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.612 1.435 -10.117 1.00 0.00 C ATOM 0 H VAL A 21 -6.957 2.255 -13.096 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.101 2.204 -11.015 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.257 3.299 -11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.226 3.907 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.357 4.912 -9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.976 3.593 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.721 1.516 -9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.426 1.007 -9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.401 0.791 -10.971 1.00 0.00 H new ATOM 261 N SER A 22 -9.920 4.596 -11.125 1.00 0.00 N ATOM 262 CA SER A 22 -10.623 5.923 -11.286 1.00 0.00 C ATOM 263 C SER A 22 -10.801 6.564 -9.915 1.00 0.00 C ATOM 264 O SER A 22 -10.671 5.889 -8.903 1.00 0.00 O ATOM 265 CB SER A 22 -12.022 5.686 -11.898 1.00 0.00 C ATOM 266 OG SER A 22 -12.913 5.704 -10.792 1.00 0.00 O ATOM 0 H SER A 22 -10.271 4.047 -10.340 1.00 0.00 H new ATOM 0 HA SER A 22 -10.033 6.571 -11.933 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.274 6.462 -12.621 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.066 4.733 -12.425 1.00 0.00 H new ATOM 0 HG SER A 22 -12.893 4.834 -10.341 1.00 0.00 H new ATOM 272 N ALA A 23 -11.011 7.872 -9.945 1.00 0.00 N ATOM 273 CA ALA A 23 -11.214 8.700 -8.709 1.00 0.00 C ATOM 274 C ALA A 23 -11.902 9.998 -9.115 1.00 0.00 C ATOM 275 O ALA A 23 -11.646 10.482 -10.205 1.00 0.00 O ATOM 276 CB ALA A 23 -9.843 9.026 -8.089 1.00 0.00 C ATOM 0 H ALA A 23 -11.050 8.411 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.821 8.159 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.984 9.627 -7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.332 8.099 -7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.242 9.583 -8.808 1.00 0.00 H new ATOM 282 N SER A 24 -12.782 10.492 -8.237 1.00 0.00 N ATOM 283 CA SER A 24 -13.549 11.769 -8.486 1.00 0.00 C ATOM 284 C SER A 24 -14.051 12.328 -7.151 1.00 0.00 C ATOM 285 O SER A 24 -14.313 11.559 -6.240 1.00 0.00 O ATOM 286 CB SER A 24 -14.772 11.449 -9.377 1.00 0.00 C ATOM 287 OG SER A 24 -14.300 11.628 -10.704 1.00 0.00 O ATOM 0 H SER A 24 -12.997 10.047 -7.345 1.00 0.00 H new ATOM 0 HA SER A 24 -12.902 12.498 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.126 10.431 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.607 12.115 -9.159 1.00 0.00 H new ATOM 0 HG SER A 24 -13.360 11.357 -10.756 1.00 0.00 H new ATOM 293 N GLY A 25 -14.146 13.657 -7.083 1.00 0.00 N ATOM 294 CA GLY A 25 -14.622 14.374 -5.844 1.00 0.00 C ATOM 295 C GLY A 25 -13.579 14.306 -4.721 1.00 0.00 C ATOM 296 O GLY A 25 -13.612 13.384 -3.926 1.00 0.00 O ATOM 0 H GLY A 25 -13.906 14.279 -7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.833 15.416 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.557 13.930 -5.502 1.00 0.00 H new ATOM 300 N PHE A 26 -12.687 15.295 -4.728 1.00 0.00 N ATOM 301 CA PHE A 26 -11.571 15.432 -3.718 1.00 0.00 C ATOM 302 C PHE A 26 -11.193 16.919 -3.669 1.00 0.00 C ATOM 303 O PHE A 26 -11.394 17.614 -4.652 1.00 0.00 O ATOM 304 CB PHE A 26 -10.337 14.605 -4.213 1.00 0.00 C ATOM 305 CG PHE A 26 -10.364 13.083 -3.711 1.00 0.00 C ATOM 306 CD1 PHE A 26 -9.941 12.730 -2.402 1.00 0.00 C ATOM 307 CD2 PHE A 26 -10.729 12.007 -4.569 1.00 0.00 C ATOM 308 CE1 PHE A 26 -9.875 11.411 -2.006 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.650 10.699 -4.132 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.227 10.405 -2.863 1.00 0.00 C ATOM 0 H PHE A 26 -12.694 16.040 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.876 15.071 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.308 14.622 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.422 15.082 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.666 13.508 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.071 12.216 -5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.542 11.169 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.926 9.897 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.171 9.376 -2.538 1.00 0.00 H new ATOM 320 N ALA A 27 -10.708 17.367 -2.504 1.00 0.00 N ATOM 321 CA ALA A 27 -10.291 18.813 -2.291 1.00 0.00 C ATOM 322 C ALA A 27 -9.353 18.958 -1.077 1.00 0.00 C ATOM 323 O ALA A 27 -8.564 19.895 -1.045 1.00 0.00 O ATOM 324 CB ALA A 27 -11.567 19.658 -2.046 1.00 0.00 C ATOM 0 H ALA A 27 -10.584 16.776 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.754 19.156 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.289 20.700 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.225 19.583 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.086 19.286 -1.163 1.00 0.00 H new ATOM 330 N THR A 28 -9.389 17.970 -0.179 1.00 0.00 N ATOM 331 CA THR A 28 -8.522 17.984 1.068 1.00 0.00 C ATOM 332 C THR A 28 -7.101 17.538 0.692 1.00 0.00 C ATOM 333 O THR A 28 -6.146 18.170 1.118 1.00 0.00 O ATOM 334 CB THR A 28 -9.092 16.966 2.104 1.00 0.00 C ATOM 335 OG1 THR A 28 -9.559 15.857 1.357 1.00 0.00 O ATOM 336 CG2 THR A 28 -10.360 17.450 2.872 1.00 0.00 C ATOM 0 H THR A 28 -9.989 17.150 -0.263 1.00 0.00 H new ATOM 0 HA THR A 28 -8.510 18.988 1.492 1.00 0.00 H new ATOM 0 HB THR A 28 -8.293 16.781 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.928 15.184 1.966 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.681 16.675 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.126 18.360 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.161 17.653 2.161 1.00 0.00 H new ATOM 344 N SER A 29 -7.019 16.469 -0.101 1.00 0.00 N ATOM 345 CA SER A 29 -5.697 15.900 -0.574 1.00 0.00 C ATOM 346 C SER A 29 -5.104 16.848 -1.635 1.00 0.00 C ATOM 347 O SER A 29 -5.879 17.405 -2.399 1.00 0.00 O ATOM 348 CB SER A 29 -5.974 14.547 -1.241 1.00 0.00 C ATOM 349 OG SER A 29 -7.133 14.761 -2.028 1.00 0.00 O ATOM 0 H SER A 29 -7.834 15.961 -0.444 1.00 0.00 H new ATOM 0 HA SER A 29 -5.007 15.788 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.132 14.229 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.139 13.766 -0.498 1.00 0.00 H new ATOM 0 HG SER A 29 -7.745 14.003 -1.922 1.00 0.00 H new ATOM 355 N THR A 30 -3.765 16.995 -1.626 1.00 0.00 N ATOM 356 CA THR A 30 -2.994 17.897 -2.601 1.00 0.00 C ATOM 357 C THR A 30 -2.046 17.079 -3.513 1.00 0.00 C ATOM 358 O THR A 30 -1.238 17.659 -4.220 1.00 0.00 O ATOM 359 CB THR A 30 -2.134 18.847 -1.693 1.00 0.00 C ATOM 360 OG1 THR A 30 -2.924 19.025 -0.534 1.00 0.00 O ATOM 361 CG2 THR A 30 -1.933 20.312 -2.201 1.00 0.00 C ATOM 0 H THR A 30 -3.161 16.511 -0.962 1.00 0.00 H new ATOM 0 HA THR A 30 -3.683 18.432 -3.255 1.00 0.00 H new ATOM 0 HB THR A 30 -1.150 18.386 -1.609 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.454 19.612 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.323 20.864 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.433 20.296 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.903 20.798 -2.302 1.00 0.00 H new ATOM 369 N SER A 31 -2.217 15.753 -3.496 1.00 0.00 N ATOM 370 CA SER A 31 -1.379 14.784 -4.323 1.00 0.00 C ATOM 371 C SER A 31 -2.083 13.412 -4.312 1.00 0.00 C ATOM 372 O SER A 31 -3.020 13.252 -3.557 1.00 0.00 O ATOM 373 CB SER A 31 0.046 14.653 -3.665 1.00 0.00 C ATOM 374 OG SER A 31 0.829 15.659 -4.290 1.00 0.00 O ATOM 0 H SER A 31 -2.925 15.292 -2.925 1.00 0.00 H new ATOM 0 HA SER A 31 -1.272 15.141 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.001 14.802 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.469 13.662 -3.832 1.00 0.00 H new ATOM 0 HG SER A 31 0.272 16.446 -4.465 1.00 0.00 H new ATOM 380 N ALA A 32 -1.671 12.495 -5.205 1.00 0.00 N ATOM 381 CA ALA A 32 -2.290 11.113 -5.279 1.00 0.00 C ATOM 382 C ALA A 32 -1.368 10.121 -6.003 1.00 0.00 C ATOM 383 O ALA A 32 -0.777 10.472 -7.013 1.00 0.00 O ATOM 384 CB ALA A 32 -3.609 11.190 -6.059 1.00 0.00 C ATOM 0 H ALA A 32 -0.927 12.658 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.453 10.767 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.057 10.198 -6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.293 11.870 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.415 11.557 -7.067 1.00 0.00 H new ATOM 390 N THR A 33 -1.280 8.913 -5.403 1.00 0.00 N ATOM 391 CA THR A 33 -0.450 7.739 -5.892 1.00 0.00 C ATOM 392 C THR A 33 -1.397 6.536 -5.871 1.00 0.00 C ATOM 393 O THR A 33 -2.542 6.707 -5.493 1.00 0.00 O ATOM 394 CB THR A 33 0.700 7.484 -4.844 1.00 0.00 C ATOM 395 OG1 THR A 33 1.019 8.758 -4.318 1.00 0.00 O ATOM 396 CG2 THR A 33 2.069 6.996 -5.419 1.00 0.00 C ATOM 0 H THR A 33 -1.788 8.701 -4.544 1.00 0.00 H new ATOM 0 HA THR A 33 -0.020 7.911 -6.879 1.00 0.00 H new ATOM 0 HB THR A 33 0.320 6.717 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.733 8.668 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.777 6.856 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.927 6.050 -5.943 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.458 7.741 -6.114 1.00 0.00 H new ATOM 404 N ALA A 34 -0.914 5.384 -6.319 1.00 0.00 N ATOM 405 CA ALA A 34 -1.737 4.114 -6.352 1.00 0.00 C ATOM 406 C ALA A 34 -0.801 2.903 -6.460 1.00 0.00 C ATOM 407 O ALA A 34 -0.044 2.819 -7.419 1.00 0.00 O ATOM 408 CB ALA A 34 -2.650 4.140 -7.596 1.00 0.00 C ATOM 0 H ALA A 34 0.037 5.271 -6.670 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.335 4.043 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.247 3.229 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.311 5.005 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.038 4.205 -8.495 1.00 0.00 H new ATOM 414 N LEU A 35 -0.846 2.033 -5.431 1.00 0.00 N ATOM 415 CA LEU A 35 0.010 0.771 -5.361 1.00 0.00 C ATOM 416 C LEU A 35 -0.599 -0.255 -4.382 1.00 0.00 C ATOM 417 O LEU A 35 -1.001 0.111 -3.292 1.00 0.00 O ATOM 418 CB LEU A 35 1.564 1.012 -5.001 1.00 0.00 C ATOM 419 CG LEU A 35 1.997 1.619 -3.533 1.00 0.00 C ATOM 420 CD1 LEU A 35 3.586 1.867 -3.466 1.00 0.00 C ATOM 421 CD2 LEU A 35 1.215 2.944 -3.115 1.00 0.00 C ATOM 0 H LEU A 35 -1.457 2.157 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 35 0.000 0.381 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.073 0.055 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.970 1.682 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 35 1.709 0.858 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.851 2.268 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.108 0.924 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.876 2.577 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.560 3.277 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.404 3.725 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.146 2.737 -3.071 1.00 0.00 H new ATOM 433 N GLN A 36 -0.604 -1.523 -4.815 1.00 0.00 N ATOM 434 CA GLN A 36 -1.153 -2.673 -4.007 1.00 0.00 C ATOM 435 C GLN A 36 -0.066 -3.107 -3.023 1.00 0.00 C ATOM 436 O GLN A 36 1.096 -2.864 -3.310 1.00 0.00 O ATOM 437 CB GLN A 36 -1.394 -3.828 -5.045 1.00 0.00 C ATOM 438 CG GLN A 36 -2.009 -5.141 -4.467 1.00 0.00 C ATOM 439 CD GLN A 36 -2.795 -5.834 -5.581 1.00 0.00 C ATOM 440 OE1 GLN A 36 -4.007 -5.789 -5.620 1.00 0.00 O ATOM 441 NE2 GLN A 36 -2.144 -6.503 -6.492 1.00 0.00 N ATOM 0 H GLN A 36 -0.236 -1.802 -5.724 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.062 -2.420 -3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.053 -3.455 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.442 -4.072 -5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.222 -5.796 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.663 -4.915 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.125 -6.544 -6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.654 -6.985 -7.232 1.00 0.00 H new ATOM 450 N CYS A 37 -0.477 -3.678 -1.875 1.00 0.00 N ATOM 451 CA CYS A 37 0.490 -4.171 -0.800 1.00 0.00 C ATOM 452 C CYS A 37 -0.088 -5.435 -0.142 1.00 0.00 C ATOM 453 O CYS A 37 -1.287 -5.497 0.092 1.00 0.00 O ATOM 454 CB CYS A 37 0.760 -3.090 0.300 1.00 0.00 C ATOM 455 SG CYS A 37 1.344 -1.430 -0.189 1.00 0.00 S ATOM 0 H CYS A 37 -1.460 -3.822 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 37 1.441 -4.388 -1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.165 -2.958 0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.495 -3.504 0.990 1.00 0.00 H new ATOM 460 N ALA A 38 0.817 -6.393 0.150 1.00 0.00 N ATOM 461 CA ALA A 38 0.459 -7.720 0.791 1.00 0.00 C ATOM 462 C ALA A 38 0.564 -7.679 2.324 1.00 0.00 C ATOM 463 O ALA A 38 1.646 -7.440 2.846 1.00 0.00 O ATOM 464 CB ALA A 38 1.476 -8.758 0.264 1.00 0.00 C ATOM 0 H ALA A 38 1.814 -6.291 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.573 -7.967 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.259 -9.734 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.403 -8.820 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.485 -8.453 0.543 1.00 0.00 H new ATOM 470 N ILE A 39 -0.576 -7.918 2.989 1.00 0.00 N ATOM 471 CA ILE A 39 -0.656 -7.922 4.503 1.00 0.00 C ATOM 472 C ILE A 39 -0.095 -9.294 4.911 1.00 0.00 C ATOM 473 O ILE A 39 -0.309 -10.248 4.186 1.00 0.00 O ATOM 474 CB ILE A 39 -2.206 -7.766 4.967 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.899 -6.379 4.481 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.428 -8.042 6.557 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.587 -5.069 5.297 1.00 0.00 C ATOM 0 H ILE A 39 -1.465 -8.113 2.528 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.104 -7.104 4.965 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.734 -8.560 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.606 -6.205 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.979 -6.526 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.483 -7.922 6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.112 -9.057 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.837 -7.332 7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.120 -4.228 4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.909 -5.198 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.515 -4.872 5.273 1.00 0.00 H new ATOM 489 N LEU A 40 0.633 -9.309 6.035 1.00 0.00 N ATOM 490 CA LEU A 40 1.279 -10.559 6.623 1.00 0.00 C ATOM 491 C LEU A 40 0.884 -10.559 8.115 1.00 0.00 C ATOM 492 O LEU A 40 0.098 -9.704 8.500 1.00 0.00 O ATOM 493 CB LEU A 40 2.882 -10.548 6.485 1.00 0.00 C ATOM 494 CG LEU A 40 3.538 -10.118 5.049 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.078 -9.709 5.221 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.379 -11.247 3.924 1.00 0.00 C ATOM 0 H LEU A 40 0.809 -8.469 6.586 1.00 0.00 H new ATOM 0 HA LEU A 40 0.939 -11.447 6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.276 -9.873 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.243 -11.547 6.729 1.00 0.00 H new ATOM 0 HG LEU A 40 2.976 -9.250 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.490 -9.428 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.156 -8.866 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.637 -10.555 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.834 -10.902 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.874 -12.161 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.321 -11.448 3.757 1.00 0.00 H new ATOM 508 N ALA A 41 1.398 -11.526 8.887 1.00 0.00 N ATOM 509 CA ALA A 41 1.091 -11.643 10.365 1.00 0.00 C ATOM 510 C ALA A 41 1.605 -10.435 11.157 1.00 0.00 C ATOM 511 O ALA A 41 0.883 -9.899 11.983 1.00 0.00 O ATOM 512 CB ALA A 41 1.797 -12.899 10.898 1.00 0.00 C ATOM 0 H ALA A 41 2.028 -12.248 8.538 1.00 0.00 H new ATOM 0 HA ALA A 41 0.009 -11.695 10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.592 -13.007 11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.429 -13.777 10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.872 -12.806 10.743 1.00 0.00 H new ATOM 518 N ASP A 42 2.828 -10.027 10.820 1.00 0.00 N ATOM 519 CA ASP A 42 3.512 -8.843 11.485 1.00 0.00 C ATOM 520 C ASP A 42 2.886 -7.493 11.020 1.00 0.00 C ATOM 521 O ASP A 42 3.013 -6.491 11.710 1.00 0.00 O ATOM 522 CB ASP A 42 5.034 -8.893 11.163 1.00 0.00 C ATOM 523 CG ASP A 42 5.306 -9.262 9.700 1.00 0.00 C ATOM 524 OD1 ASP A 42 5.163 -8.384 8.880 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.643 -10.416 9.492 1.00 0.00 O ATOM 0 H ASP A 42 3.390 -10.476 10.097 1.00 0.00 H new ATOM 0 HA ASP A 42 3.367 -8.906 12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.481 -7.923 11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.518 -9.620 11.815 1.00 0.00 H new ATOM 530 N GLY A 43 2.228 -7.521 9.855 1.00 0.00 N ATOM 531 CA GLY A 43 1.553 -6.306 9.258 1.00 0.00 C ATOM 532 C GLY A 43 2.494 -5.236 8.673 1.00 0.00 C ATOM 533 O GLY A 43 2.085 -4.084 8.625 1.00 0.00 O ATOM 0 H GLY A 43 2.135 -8.363 9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.878 -6.639 8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.938 -5.840 10.028 1.00 0.00 H new ATOM 537 N ARG A 44 3.696 -5.638 8.240 1.00 0.00 N ATOM 538 CA ARG A 44 4.704 -4.662 7.636 1.00 0.00 C ATOM 539 C ARG A 44 4.214 -4.303 6.224 1.00 0.00 C ATOM 540 O ARG A 44 3.620 -5.149 5.577 1.00 0.00 O ATOM 541 CB ARG A 44 6.099 -5.353 7.477 1.00 0.00 C ATOM 542 CG ARG A 44 6.870 -5.592 8.845 1.00 0.00 C ATOM 543 CD ARG A 44 7.886 -4.475 9.243 1.00 0.00 C ATOM 544 NE ARG A 44 8.289 -4.716 10.656 1.00 0.00 N ATOM 545 CZ ARG A 44 8.101 -3.779 11.544 1.00 0.00 C ATOM 546 NH1 ARG A 44 9.036 -2.889 11.729 1.00 0.00 N ATOM 547 NH2 ARG A 44 6.983 -3.768 12.218 1.00 0.00 N ATOM 0 H ARG A 44 4.020 -6.604 8.281 1.00 0.00 H new ATOM 0 HA ARG A 44 4.794 -3.788 8.281 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.961 -6.313 6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.722 -4.741 6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.135 -5.693 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.404 -6.540 8.781 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.756 -4.498 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.433 -3.489 9.137 1.00 0.00 H new ATOM 0 HE ARG A 44 8.708 -5.605 10.927 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.897 -2.933 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.906 -2.149 12.419 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.277 -4.483 12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.816 -3.044 12.917 1.00 0.00 H new ATOM 561 N GLY A 45 4.491 -3.075 5.797 1.00 0.00 N ATOM 562 CA GLY A 45 4.070 -2.572 4.431 1.00 0.00 C ATOM 563 C GLY A 45 4.937 -3.106 3.273 1.00 0.00 C ATOM 564 O GLY A 45 5.699 -2.332 2.716 1.00 0.00 O ATOM 0 H GLY A 45 5.002 -2.388 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.032 -2.855 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.109 -1.483 4.428 1.00 0.00 H new ATOM 568 N ALA A 46 4.747 -4.386 2.916 1.00 0.00 N ATOM 569 CA ALA A 46 5.524 -5.041 1.795 1.00 0.00 C ATOM 570 C ALA A 46 4.805 -4.678 0.491 1.00 0.00 C ATOM 571 O ALA A 46 3.760 -5.239 0.222 1.00 0.00 O ATOM 572 CB ALA A 46 5.506 -6.575 2.039 1.00 0.00 C ATOM 0 H ALA A 46 4.073 -5.003 3.369 1.00 0.00 H new ATOM 0 HA ALA A 46 6.561 -4.709 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.060 -7.076 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.970 -6.796 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.476 -6.931 2.043 1.00 0.00 H new ATOM 578 N CYS A 47 5.363 -3.677 -0.243 1.00 0.00 N ATOM 579 CA CYS A 47 4.764 -3.185 -1.568 1.00 0.00 C ATOM 580 C CYS A 47 5.799 -3.126 -2.698 1.00 0.00 C ATOM 581 O CYS A 47 6.954 -2.819 -2.463 1.00 0.00 O ATOM 582 CB CYS A 47 4.165 -1.761 -1.346 1.00 0.00 C ATOM 583 SG CYS A 47 3.322 -1.399 0.230 1.00 0.00 S ATOM 0 H CYS A 47 6.213 -3.186 0.033 1.00 0.00 H new ATOM 0 HA CYS A 47 3.995 -3.896 -1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.975 -1.041 -1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.455 -1.572 -2.151 1.00 0.00 H new ATOM 588 N ASN A 48 5.312 -3.422 -3.912 1.00 0.00 N ATOM 589 CA ASN A 48 6.164 -3.424 -5.153 1.00 0.00 C ATOM 590 C ASN A 48 6.480 -1.983 -5.619 1.00 0.00 C ATOM 591 O ASN A 48 5.568 -1.201 -5.849 1.00 0.00 O ATOM 592 CB ASN A 48 5.350 -4.161 -6.235 1.00 0.00 C ATOM 593 CG ASN A 48 6.000 -3.987 -7.609 1.00 0.00 C ATOM 594 OD1 ASN A 48 5.512 -3.264 -8.451 1.00 0.00 O ATOM 595 ND2 ASN A 48 7.095 -4.648 -7.880 1.00 0.00 N ATOM 0 H ASN A 48 4.336 -3.665 -4.081 1.00 0.00 H new ATOM 0 HA ASN A 48 7.119 -3.912 -4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.284 -5.221 -5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.331 -3.775 -6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.534 -4.554 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.510 -5.258 -7.176 1.00 0.00 H new ATOM 602 N VAL A 49 7.774 -1.700 -5.764 1.00 0.00 N ATOM 603 CA VAL A 49 8.282 -0.337 -6.210 1.00 0.00 C ATOM 604 C VAL A 49 7.975 0.019 -7.700 1.00 0.00 C ATOM 605 O VAL A 49 7.882 1.186 -8.014 1.00 0.00 O ATOM 606 CB VAL A 49 9.884 -0.253 -5.944 1.00 0.00 C ATOM 607 CG1 VAL A 49 10.203 0.126 -4.424 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.681 -1.574 -6.391 1.00 0.00 C ATOM 0 H VAL A 49 8.517 -2.376 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 49 7.739 0.399 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 49 10.249 0.550 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.282 0.174 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.762 1.095 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.782 -0.632 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.743 -1.446 -6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.304 -2.432 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.537 -1.742 -7.458 1.00 0.00 H new ATOM 618 N ALA A 50 7.777 -0.986 -8.546 1.00 0.00 N ATOM 619 CA ALA A 50 7.479 -0.746 -10.028 1.00 0.00 C ATOM 620 C ALA A 50 6.095 -0.136 -10.357 1.00 0.00 C ATOM 621 O ALA A 50 5.985 0.513 -11.386 1.00 0.00 O ATOM 622 CB ALA A 50 7.555 -2.098 -10.764 1.00 0.00 C ATOM 0 H ALA A 50 7.808 -1.970 -8.277 1.00 0.00 H new ATOM 0 HA ALA A 50 8.222 -0.015 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.345 -1.948 -11.823 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.553 -2.520 -10.648 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.820 -2.784 -10.342 1.00 0.00 H new ATOM 628 N GLU A 51 5.119 -0.305 -9.461 1.00 0.00 N ATOM 629 CA GLU A 51 3.704 0.242 -9.677 1.00 0.00 C ATOM 630 C GLU A 51 3.558 1.749 -9.364 1.00 0.00 C ATOM 631 O GLU A 51 2.625 2.364 -9.881 1.00 0.00 O ATOM 632 CB GLU A 51 2.734 -0.580 -8.739 1.00 0.00 C ATOM 633 CG GLU A 51 2.255 -1.939 -9.371 1.00 0.00 C ATOM 634 CD GLU A 51 1.715 -2.879 -8.282 1.00 0.00 C ATOM 635 OE1 GLU A 51 0.817 -2.453 -7.575 1.00 0.00 O ATOM 636 OE2 GLU A 51 2.215 -3.988 -8.240 1.00 0.00 O ATOM 0 H GLU A 51 5.242 -0.804 -8.580 1.00 0.00 H new ATOM 0 HA GLU A 51 3.461 0.132 -10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.240 -0.785 -7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.862 0.031 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.479 -1.748 -10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.084 -2.416 -9.893 1.00 0.00 H new ATOM 643 N PHE A 52 4.500 2.302 -8.596 1.00 0.00 N ATOM 644 CA PHE A 52 4.469 3.793 -8.210 1.00 0.00 C ATOM 645 C PHE A 52 4.673 4.694 -9.442 1.00 0.00 C ATOM 646 O PHE A 52 5.349 4.281 -10.373 1.00 0.00 O ATOM 647 CB PHE A 52 5.552 4.062 -7.096 1.00 0.00 C ATOM 648 CG PHE A 52 6.607 5.234 -7.423 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.860 4.970 -8.055 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.397 6.574 -6.980 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.805 5.964 -8.203 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.375 7.536 -7.150 1.00 0.00 C ATOM 653 CZ PHE A 52 8.564 7.233 -7.756 1.00 0.00 C ATOM 0 H PHE A 52 5.295 1.788 -8.215 1.00 0.00 H new ATOM 0 HA PHE A 52 3.487 4.041 -7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.038 4.308 -6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.104 3.139 -6.920 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.071 3.977 -8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.463 6.840 -6.507 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.748 5.737 -8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.198 8.542 -6.799 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.315 7.999 -7.882 1.00 0.00 H new ATOM 663 N HIS A 53 4.040 5.880 -9.399 1.00 0.00 N ATOM 664 CA HIS A 53 4.117 6.906 -10.521 1.00 0.00 C ATOM 665 C HIS A 53 4.109 8.337 -9.966 1.00 0.00 C ATOM 666 O HIS A 53 5.006 9.088 -10.293 1.00 0.00 O ATOM 667 CB HIS A 53 2.878 6.724 -11.438 1.00 0.00 C ATOM 668 CG HIS A 53 3.154 5.653 -12.516 1.00 0.00 C ATOM 669 ND1 HIS A 53 2.955 4.403 -12.340 1.00 0.00 N ATOM 670 CD2 HIS A 53 3.627 5.779 -13.818 1.00 0.00 C ATOM 671 CE1 HIS A 53 3.266 3.779 -13.425 1.00 0.00 C ATOM 672 NE2 HIS A 53 3.692 4.577 -14.386 1.00 0.00 N ATOM 0 H HIS A 53 3.463 6.176 -8.612 1.00 0.00 H new ATOM 0 HA HIS A 53 5.045 6.753 -11.073 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.015 6.432 -10.839 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.629 7.672 -11.915 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.608 3.971 -11.484 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.900 6.709 -14.295 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.186 2.708 -13.536 1.00 0.00 H new ATOM 679 N ASP A 54 3.083 8.665 -9.152 1.00 0.00 N ATOM 680 CA ASP A 54 2.886 10.046 -8.491 1.00 0.00 C ATOM 681 C ASP A 54 2.559 11.175 -9.514 1.00 0.00 C ATOM 682 O ASP A 54 3.231 11.336 -10.523 1.00 0.00 O ATOM 683 CB ASP A 54 4.077 10.472 -7.568 1.00 0.00 C ATOM 684 CG ASP A 54 3.565 11.423 -6.477 1.00 0.00 C ATOM 685 OD1 ASP A 54 3.539 12.611 -6.757 1.00 0.00 O ATOM 686 OD2 ASP A 54 3.243 10.909 -5.417 1.00 0.00 O ATOM 0 H ASP A 54 2.346 8.002 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 54 2.012 9.915 -7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.532 9.592 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.851 10.962 -8.158 1.00 0.00 H new ATOM 691 N PHE A 55 1.473 11.912 -9.223 1.00 0.00 N ATOM 692 CA PHE A 55 0.998 13.049 -10.104 1.00 0.00 C ATOM 693 C PHE A 55 0.109 14.005 -9.300 1.00 0.00 C ATOM 694 O PHE A 55 -0.569 13.563 -8.385 1.00 0.00 O ATOM 695 CB PHE A 55 0.154 12.463 -11.319 1.00 0.00 C ATOM 696 CG PHE A 55 -0.819 11.242 -10.888 1.00 0.00 C ATOM 697 CD1 PHE A 55 -2.109 11.466 -10.318 1.00 0.00 C ATOM 698 CD2 PHE A 55 -0.398 9.879 -10.941 1.00 0.00 C ATOM 699 CE1 PHE A 55 -2.864 10.422 -9.833 1.00 0.00 C ATOM 700 CE2 PHE A 55 -1.183 8.873 -10.439 1.00 0.00 C ATOM 701 CZ PHE A 55 -2.405 9.139 -9.889 1.00 0.00 C ATOM 0 H PHE A 55 0.896 11.760 -8.396 1.00 0.00 H new ATOM 0 HA PHE A 55 1.868 13.590 -10.478 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.447 13.262 -11.755 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.837 12.118 -12.095 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.499 12.472 -10.267 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.556 9.636 -11.385 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.834 10.622 -9.402 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.829 7.853 -10.479 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.008 8.333 -9.498 1.00 0.00 H new ATOM 711 N SER A 56 0.165 15.288 -9.660 1.00 0.00 N ATOM 712 CA SER A 56 -0.651 16.347 -8.978 1.00 0.00 C ATOM 713 C SER A 56 -2.091 16.223 -9.472 1.00 0.00 C ATOM 714 O SER A 56 -2.269 15.830 -10.616 1.00 0.00 O ATOM 715 CB SER A 56 -0.110 17.710 -9.434 1.00 0.00 C ATOM 716 OG SER A 56 1.151 17.816 -8.791 1.00 0.00 O ATOM 0 H SER A 56 0.757 15.638 -10.413 1.00 0.00 H new ATOM 0 HA SER A 56 -0.604 16.245 -7.894 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.009 17.756 -10.518 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.776 18.521 -9.141 1.00 0.00 H new ATOM 0 HG SER A 56 1.571 18.668 -9.033 1.00 0.00 H new ATOM 722 N LEU A 57 -3.061 16.615 -8.639 1.00 0.00 N ATOM 723 CA LEU A 57 -4.527 16.526 -9.046 1.00 0.00 C ATOM 724 C LEU A 57 -4.833 17.741 -9.962 1.00 0.00 C ATOM 725 O LEU A 57 -4.543 18.878 -9.610 1.00 0.00 O ATOM 726 CB LEU A 57 -5.451 16.617 -7.760 1.00 0.00 C ATOM 727 CG LEU A 57 -5.453 15.285 -6.810 1.00 0.00 C ATOM 728 CD1 LEU A 57 -5.730 15.668 -5.282 1.00 0.00 C ATOM 729 CD2 LEU A 57 -6.485 14.150 -7.299 1.00 0.00 C ATOM 0 H LEU A 57 -2.899 16.989 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.718 15.583 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.131 17.470 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.474 16.817 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.454 14.857 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.726 14.764 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.952 16.346 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.701 16.156 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.434 13.296 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.497 14.554 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.224 13.831 -8.308 1.00 0.00 H new ATOM 741 N SER A 58 -5.388 17.435 -11.134 1.00 0.00 N ATOM 742 CA SER A 58 -5.755 18.472 -12.171 1.00 0.00 C ATOM 743 C SER A 58 -6.933 19.349 -11.763 1.00 0.00 C ATOM 744 O SER A 58 -6.935 20.543 -12.027 1.00 0.00 O ATOM 745 CB SER A 58 -6.138 17.700 -13.448 1.00 0.00 C ATOM 746 OG SER A 58 -6.833 18.644 -14.250 1.00 0.00 O ATOM 0 H SER A 58 -5.605 16.479 -11.416 1.00 0.00 H new ATOM 0 HA SER A 58 -4.905 19.140 -12.307 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.254 17.321 -13.961 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.766 16.840 -13.216 1.00 0.00 H new ATOM 0 HG SER A 58 -7.109 18.220 -15.089 1.00 0.00 H new ATOM 752 N GLY A 59 -7.883 18.718 -11.130 1.00 0.00 N ATOM 753 CA GLY A 59 -9.124 19.415 -10.652 1.00 0.00 C ATOM 754 C GLY A 59 -9.973 18.431 -9.862 1.00 0.00 C ATOM 755 O GLY A 59 -11.155 18.285 -10.125 1.00 0.00 O ATOM 0 H GLY A 59 -7.855 17.721 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.859 20.269 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.688 19.802 -11.500 1.00 0.00 H new ATOM 759 N GLY A 60 -9.304 17.771 -8.934 1.00 0.00 N ATOM 760 CA GLY A 60 -9.946 16.751 -8.036 1.00 0.00 C ATOM 761 C GLY A 60 -10.218 15.410 -8.748 1.00 0.00 C ATOM 762 O GLY A 60 -11.094 14.692 -8.307 1.00 0.00 O ATOM 0 H GLY A 60 -8.308 17.905 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.301 16.575 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.885 17.151 -7.654 1.00 0.00 H new ATOM 766 N GLU A 61 -9.472 15.142 -9.846 1.00 0.00 N ATOM 767 CA GLU A 61 -9.595 13.856 -10.691 1.00 0.00 C ATOM 768 C GLU A 61 -8.174 13.446 -11.127 1.00 0.00 C ATOM 769 O GLU A 61 -7.301 14.300 -11.171 1.00 0.00 O ATOM 770 CB GLU A 61 -10.394 14.094 -12.029 1.00 0.00 C ATOM 771 CG GLU A 61 -11.747 14.835 -11.873 1.00 0.00 C ATOM 772 CD GLU A 61 -12.578 14.602 -13.135 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.312 15.305 -14.096 1.00 0.00 O ATOM 774 OE2 GLU A 61 -13.433 13.735 -13.067 1.00 0.00 O ATOM 0 H GLU A 61 -8.763 15.785 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.109 13.110 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.764 14.664 -12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.580 13.128 -12.498 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.280 14.469 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.579 15.901 -11.722 1.00 0.00 H new ATOM 781 N GLY A 62 -7.981 12.152 -11.440 1.00 0.00 N ATOM 782 CA GLY A 62 -6.619 11.644 -11.883 1.00 0.00 C ATOM 783 C GLY A 62 -6.627 10.134 -12.204 1.00 0.00 C ATOM 784 O GLY A 62 -6.135 9.343 -11.415 1.00 0.00 O ATOM 0 H GLY A 62 -8.710 11.439 -11.405 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.297 12.198 -12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.888 11.842 -11.099 1.00 0.00 H new ATOM 788 N THR A 63 -7.149 9.808 -13.383 1.00 0.00 N ATOM 789 CA THR A 63 -7.245 8.375 -13.882 1.00 0.00 C ATOM 790 C THR A 63 -5.853 7.890 -14.348 1.00 0.00 C ATOM 791 O THR A 63 -5.030 8.724 -14.695 1.00 0.00 O ATOM 792 CB THR A 63 -8.191 8.430 -15.129 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.210 9.341 -14.761 1.00 0.00 O ATOM 794 CG2 THR A 63 -8.993 7.130 -15.458 1.00 0.00 C ATOM 0 H THR A 63 -7.522 10.496 -14.037 1.00 0.00 H new ATOM 0 HA THR A 63 -7.609 7.704 -13.104 1.00 0.00 H new ATOM 0 HB THR A 63 -7.555 8.656 -15.984 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.849 9.433 -15.498 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.610 7.297 -16.341 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.298 6.312 -15.649 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.632 6.873 -14.613 1.00 0.00 H new ATOM 802 N THR A 64 -5.627 6.557 -14.296 1.00 0.00 N ATOM 803 CA THR A 64 -4.289 5.946 -14.738 1.00 0.00 C ATOM 804 C THR A 64 -4.363 4.408 -14.985 1.00 0.00 C ATOM 805 O THR A 64 -4.976 3.695 -14.208 1.00 0.00 O ATOM 806 CB THR A 64 -3.141 6.251 -13.704 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.204 5.204 -13.856 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.516 6.157 -12.195 1.00 0.00 C ATOM 0 H THR A 64 -6.312 5.876 -13.967 1.00 0.00 H new ATOM 0 HA THR A 64 -4.059 6.424 -15.690 1.00 0.00 H new ATOM 0 HB THR A 64 -2.826 7.273 -13.914 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.458 5.340 -13.235 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.641 6.389 -11.588 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.311 6.869 -11.973 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.859 5.148 -11.967 1.00 0.00 H new ATOM 816 N SER A 65 -3.706 3.970 -16.078 1.00 0.00 N ATOM 817 CA SER A 65 -3.652 2.509 -16.493 1.00 0.00 C ATOM 818 C SER A 65 -2.540 1.776 -15.698 1.00 0.00 C ATOM 819 O SER A 65 -1.370 2.075 -15.893 1.00 0.00 O ATOM 820 CB SER A 65 -3.324 2.443 -18.009 1.00 0.00 C ATOM 821 OG SER A 65 -2.351 3.452 -18.244 1.00 0.00 O ATOM 0 H SER A 65 -3.196 4.591 -16.706 1.00 0.00 H new ATOM 0 HA SER A 65 -4.610 2.030 -16.288 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.941 1.460 -18.283 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.217 2.615 -18.609 1.00 0.00 H new ATOM 0 HG SER A 65 -1.658 3.405 -17.553 1.00 0.00 H new ATOM 827 N VAL A 66 -2.969 0.859 -14.805 1.00 0.00 N ATOM 828 CA VAL A 66 -2.047 0.018 -13.909 1.00 0.00 C ATOM 829 C VAL A 66 -2.112 -1.440 -14.441 1.00 0.00 C ATOM 830 O VAL A 66 -3.111 -1.814 -15.031 1.00 0.00 O ATOM 831 CB VAL A 66 -2.615 0.173 -12.388 1.00 0.00 C ATOM 832 CG1 VAL A 66 -2.128 -0.970 -11.361 1.00 0.00 C ATOM 833 CG2 VAL A 66 -2.271 1.627 -11.799 1.00 0.00 C ATOM 0 H VAL A 66 -3.958 0.657 -14.661 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.003 0.330 -13.916 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.694 0.047 -12.477 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.557 -0.782 -10.377 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.457 -1.945 -11.720 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.040 -0.957 -11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.659 1.709 -10.784 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.190 1.768 -11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.730 2.391 -12.426 1.00 0.00 H new ATOM 843 N VAL A 67 -0.993 -2.168 -14.227 1.00 0.00 N ATOM 844 CA VAL A 67 -0.786 -3.628 -14.641 1.00 0.00 C ATOM 845 C VAL A 67 -0.357 -4.309 -13.317 1.00 0.00 C ATOM 846 O VAL A 67 0.372 -3.683 -12.559 1.00 0.00 O ATOM 847 CB VAL A 67 0.378 -3.784 -15.767 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.310 -5.202 -16.525 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.350 -2.582 -16.816 1.00 0.00 C ATOM 0 H VAL A 67 -0.178 -1.777 -13.756 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.678 -4.063 -15.091 1.00 0.00 H new ATOM 0 HB VAL A 67 1.327 -3.745 -15.233 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.107 -5.257 -17.266 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.431 -6.008 -15.801 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.655 -5.303 -17.022 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.142 -2.722 -17.551 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.615 -2.563 -17.322 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.504 -1.638 -16.292 1.00 0.00 H new ATOM 859 N VAL A 68 -0.868 -5.540 -13.079 1.00 0.00 N ATOM 860 CA VAL A 68 -0.547 -6.355 -11.811 1.00 0.00 C ATOM 861 C VAL A 68 -0.429 -7.884 -12.104 1.00 0.00 C ATOM 862 O VAL A 68 -1.305 -8.465 -12.720 1.00 0.00 O ATOM 863 CB VAL A 68 -1.681 -6.166 -10.674 1.00 0.00 C ATOM 864 CG1 VAL A 68 -1.315 -5.022 -9.616 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.152 -5.958 -11.270 1.00 0.00 C ATOM 0 H VAL A 68 -1.501 -6.015 -13.722 1.00 0.00 H new ATOM 0 HA VAL A 68 0.411 -5.972 -11.458 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.695 -7.113 -10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.113 -4.941 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.381 -5.275 -9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.202 -4.070 -10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.862 -5.838 -10.452 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.168 -5.067 -11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.429 -6.827 -11.866 1.00 0.00 H new ATOM 875 N ARG A 69 0.683 -8.459 -11.623 1.00 0.00 N ATOM 876 CA ARG A 69 1.029 -9.937 -11.774 1.00 0.00 C ATOM 877 C ARG A 69 0.443 -10.687 -10.555 1.00 0.00 C ATOM 878 O ARG A 69 0.121 -10.041 -9.569 1.00 0.00 O ATOM 879 CB ARG A 69 2.603 -10.058 -11.762 1.00 0.00 C ATOM 880 CG ARG A 69 3.317 -9.566 -13.101 1.00 0.00 C ATOM 881 CD ARG A 69 3.572 -10.683 -14.165 1.00 0.00 C ATOM 882 NE ARG A 69 3.890 -10.011 -15.456 1.00 0.00 N ATOM 883 CZ ARG A 69 4.977 -10.340 -16.098 1.00 0.00 C ATOM 884 NH1 ARG A 69 4.966 -11.405 -16.853 1.00 0.00 N ATOM 885 NH2 ARG A 69 6.039 -9.593 -15.964 1.00 0.00 N ATOM 0 H ARG A 69 1.392 -7.934 -11.110 1.00 0.00 H new ATOM 0 HA ARG A 69 0.626 -10.357 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.992 -9.479 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.873 -11.099 -11.583 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.706 -8.786 -13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.272 -9.110 -12.839 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.396 -11.326 -13.855 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.693 -11.319 -14.271 1.00 0.00 H new ATOM 0 HE ARG A 69 3.264 -9.300 -15.834 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.117 -11.964 -16.933 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.807 -11.678 -17.362 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.010 -8.768 -15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.898 -9.834 -16.458 1.00 0.00 H new ATOM 899 N ARG A 70 0.313 -12.022 -10.672 1.00 0.00 N ATOM 900 CA ARG A 70 -0.245 -12.906 -9.566 1.00 0.00 C ATOM 901 C ARG A 70 0.681 -12.924 -8.321 1.00 0.00 C ATOM 902 O ARG A 70 0.179 -13.052 -7.216 1.00 0.00 O ATOM 903 CB ARG A 70 -0.357 -14.351 -10.200 1.00 0.00 C ATOM 904 CG ARG A 70 -0.912 -15.505 -9.226 1.00 0.00 C ATOM 905 CD ARG A 70 -1.544 -16.709 -9.989 1.00 0.00 C ATOM 906 NE ARG A 70 -1.687 -17.833 -9.019 1.00 0.00 N ATOM 907 CZ ARG A 70 -2.855 -18.390 -8.852 1.00 0.00 C ATOM 908 NH1 ARG A 70 -3.193 -19.388 -9.622 1.00 0.00 N ATOM 909 NH2 ARG A 70 -3.645 -17.930 -7.922 1.00 0.00 N ATOM 0 H ARG A 70 0.580 -12.536 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.208 -12.535 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.008 -14.294 -11.072 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.629 -14.647 -10.557 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.095 -15.868 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.658 -15.077 -8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.515 -16.434 -10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.913 -17.005 -10.827 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.879 -18.163 -8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.548 -19.720 -10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.102 -19.836 -9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.346 -17.148 -7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.562 -18.353 -7.777 1.00 0.00 H new ATOM 923 N SER A 71 1.995 -12.834 -8.580 1.00 0.00 N ATOM 924 CA SER A 71 3.085 -12.832 -7.509 1.00 0.00 C ATOM 925 C SER A 71 4.130 -11.780 -7.866 1.00 0.00 C ATOM 926 O SER A 71 4.264 -11.456 -9.031 1.00 0.00 O ATOM 927 CB SER A 71 3.783 -14.208 -7.501 1.00 0.00 C ATOM 928 OG SER A 71 4.120 -14.415 -6.141 1.00 0.00 O ATOM 0 H SER A 71 2.364 -12.759 -9.528 1.00 0.00 H new ATOM 0 HA SER A 71 2.641 -12.619 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.123 -14.992 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.669 -14.210 -8.136 1.00 0.00 H new ATOM 0 HG SER A 71 3.674 -15.223 -5.813 1.00 0.00 H new ATOM 934 N PHE A 72 4.798 -11.231 -6.842 1.00 0.00 N ATOM 935 CA PHE A 72 5.867 -10.166 -7.067 1.00 0.00 C ATOM 936 C PHE A 72 6.838 -10.079 -5.889 1.00 0.00 C ATOM 937 O PHE A 72 6.457 -10.355 -4.760 1.00 0.00 O ATOM 938 CB PHE A 72 5.190 -8.757 -7.308 1.00 0.00 C ATOM 939 CG PHE A 72 3.893 -8.521 -6.388 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.003 -8.069 -5.040 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.568 -8.741 -6.870 1.00 0.00 C ATOM 942 CE1 PHE A 72 2.881 -7.870 -4.266 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.475 -8.526 -6.056 1.00 0.00 C ATOM 944 CZ PHE A 72 1.632 -8.097 -4.769 1.00 0.00 C ATOM 0 H PHE A 72 4.646 -11.477 -5.864 1.00 0.00 H new ATOM 0 HA PHE A 72 6.437 -10.454 -7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.918 -7.971 -7.109 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.906 -8.671 -8.357 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.980 -7.880 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.419 -9.080 -7.885 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.991 -7.530 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.481 -8.699 -6.442 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.764 -7.937 -4.146 1.00 0.00 H new ATOM 954 N THR A 73 8.082 -9.716 -6.233 1.00 0.00 N ATOM 955 CA THR A 73 9.198 -9.561 -5.250 1.00 0.00 C ATOM 956 C THR A 73 8.917 -8.325 -4.372 1.00 0.00 C ATOM 957 O THR A 73 9.135 -7.203 -4.807 1.00 0.00 O ATOM 958 CB THR A 73 10.497 -9.391 -6.114 1.00 0.00 C ATOM 959 OG1 THR A 73 10.750 -10.697 -6.595 1.00 0.00 O ATOM 960 CG2 THR A 73 11.827 -9.042 -5.355 1.00 0.00 C ATOM 0 H THR A 73 8.357 -9.519 -7.195 1.00 0.00 H new ATOM 0 HA THR A 73 9.304 -10.411 -4.576 1.00 0.00 H new ATOM 0 HB THR A 73 10.298 -8.577 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.554 -10.689 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.643 -8.954 -6.072 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.706 -8.097 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.056 -9.832 -4.640 1.00 0.00 H new ATOM 968 N GLY A 74 8.430 -8.597 -3.163 1.00 0.00 N ATOM 969 CA GLY A 74 8.091 -7.520 -2.163 1.00 0.00 C ATOM 970 C GLY A 74 9.363 -6.838 -1.628 1.00 0.00 C ATOM 971 O GLY A 74 10.417 -7.459 -1.631 1.00 0.00 O ATOM 0 H GLY A 74 8.252 -9.544 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.445 -6.776 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.531 -7.953 -1.334 1.00 0.00 H new ATOM 975 N TYR A 75 9.194 -5.575 -1.210 1.00 0.00 N ATOM 976 CA TYR A 75 10.306 -4.715 -0.646 1.00 0.00 C ATOM 977 C TYR A 75 9.789 -3.985 0.610 1.00 0.00 C ATOM 978 O TYR A 75 8.800 -3.265 0.531 1.00 0.00 O ATOM 979 CB TYR A 75 10.693 -3.698 -1.768 1.00 0.00 C ATOM 980 CG TYR A 75 11.771 -2.620 -1.279 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.148 -2.943 -1.209 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.422 -1.274 -0.967 1.00 0.00 C ATOM 983 CE1 TYR A 75 14.085 -1.991 -0.867 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.392 -0.353 -0.628 1.00 0.00 C ATOM 985 CZ TYR A 75 13.719 -0.701 -0.576 1.00 0.00 C ATOM 986 OH TYR A 75 14.672 0.236 -0.235 1.00 0.00 O ATOM 0 H TYR A 75 8.293 -5.099 -1.243 1.00 0.00 H new ATOM 0 HA TYR A 75 11.176 -5.304 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.092 -4.242 -2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.796 -3.180 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.469 -3.951 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.386 -0.971 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.129 -2.266 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.102 0.662 -0.399 1.00 0.00 H new ATOM 0 HH TYR A 75 14.237 1.097 -0.062 1.00 0.00 H new ATOM 996 N VAL A 76 10.494 -4.212 1.728 1.00 0.00 N ATOM 997 CA VAL A 76 10.147 -3.589 3.073 1.00 0.00 C ATOM 998 C VAL A 76 10.548 -2.089 2.977 1.00 0.00 C ATOM 999 O VAL A 76 11.500 -1.768 2.283 1.00 0.00 O ATOM 1000 CB VAL A 76 10.940 -4.293 4.300 1.00 0.00 C ATOM 1001 CG1 VAL A 76 10.115 -4.211 5.681 1.00 0.00 C ATOM 1002 CG2 VAL A 76 11.366 -5.805 4.003 1.00 0.00 C ATOM 0 H VAL A 76 11.313 -4.819 1.757 1.00 0.00 H new ATOM 0 HA VAL A 76 9.085 -3.721 3.279 1.00 0.00 H new ATOM 0 HB VAL A 76 11.859 -3.717 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.685 -4.695 6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.945 -3.166 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.156 -4.716 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.892 -6.211 4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.475 -6.402 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.022 -5.834 3.133 1.00 0.00 H new ATOM 1012 N MET A 77 9.792 -1.237 3.664 1.00 0.00 N ATOM 1013 CA MET A 77 10.026 0.276 3.685 1.00 0.00 C ATOM 1014 C MET A 77 11.465 0.864 4.034 1.00 0.00 C ATOM 1015 O MET A 77 11.886 1.652 3.201 1.00 0.00 O ATOM 1016 CB MET A 77 8.935 0.943 4.614 1.00 0.00 C ATOM 1017 CG MET A 77 7.645 1.461 3.894 1.00 0.00 C ATOM 1018 SD MET A 77 7.746 3.031 2.934 1.00 0.00 S ATOM 1019 CE MET A 77 5.991 3.529 2.769 1.00 0.00 C ATOM 0 H MET A 77 8.997 -1.533 4.230 1.00 0.00 H new ATOM 0 HA MET A 77 9.946 0.538 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.638 0.217 5.371 1.00 0.00 H new ATOM 0 HB3 MET A 77 9.396 1.780 5.138 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.307 0.678 3.215 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.870 1.584 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 77 5.929 4.462 2.208 1.00 0.00 H new ATOM 0 HE2 MET A 77 5.440 2.751 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 77 5.559 3.671 3.759 1.00 0.00 H new ATOM 1029 N PRO A 78 12.213 0.547 5.177 1.00 0.00 N ATOM 1030 CA PRO A 78 13.573 1.168 5.419 1.00 0.00 C ATOM 1031 C PRO A 78 14.676 0.766 4.391 1.00 0.00 C ATOM 1032 O PRO A 78 15.142 1.662 3.711 1.00 0.00 O ATOM 1033 CB PRO A 78 13.954 0.744 6.859 1.00 0.00 C ATOM 1034 CG PRO A 78 13.044 -0.427 7.234 1.00 0.00 C ATOM 1035 CD PRO A 78 11.825 -0.370 6.305 1.00 0.00 C ATOM 0 HA PRO A 78 13.510 2.249 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.002 0.450 6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.821 1.574 7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.570 -1.375 7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.736 -0.356 8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.570 -1.362 5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.949 0.007 6.832 1.00 0.00 H new ATOM 1043 N ASP A 79 15.053 -0.541 4.299 1.00 0.00 N ATOM 1044 CA ASP A 79 16.130 -1.010 3.314 1.00 0.00 C ATOM 1045 C ASP A 79 16.059 -2.523 3.026 1.00 0.00 C ATOM 1046 O ASP A 79 16.117 -2.896 1.864 1.00 0.00 O ATOM 1047 CB ASP A 79 17.553 -0.733 3.902 1.00 0.00 C ATOM 1048 CG ASP A 79 18.159 0.563 3.341 1.00 0.00 C ATOM 1049 OD1 ASP A 79 18.728 0.477 2.262 1.00 0.00 O ATOM 1050 OD2 ASP A 79 18.048 1.559 4.037 1.00 0.00 O ATOM 0 H ASP A 79 14.653 -1.287 4.868 1.00 0.00 H new ATOM 0 HA ASP A 79 15.951 -0.457 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.491 -0.665 4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.211 -1.571 3.672 1.00 0.00 H new ATOM 1055 N GLY A 80 15.930 -3.344 4.078 1.00 0.00 N ATOM 1056 CA GLY A 80 15.860 -4.849 3.906 1.00 0.00 C ATOM 1057 C GLY A 80 15.719 -5.528 5.320 1.00 0.00 C ATOM 1058 O GLY A 80 15.499 -4.770 6.251 1.00 0.00 O ATOM 0 H GLY A 80 15.871 -3.026 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.012 -5.116 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.757 -5.211 3.404 1.00 0.00 H new ATOM 1062 N PRO A 81 15.825 -6.920 5.519 1.00 0.00 N ATOM 1063 CA PRO A 81 16.080 -8.022 4.489 1.00 0.00 C ATOM 1064 C PRO A 81 14.875 -8.278 3.570 1.00 0.00 C ATOM 1065 O PRO A 81 13.748 -8.196 4.030 1.00 0.00 O ATOM 1066 CB PRO A 81 16.307 -9.296 5.327 1.00 0.00 C ATOM 1067 CG PRO A 81 15.884 -8.999 6.774 1.00 0.00 C ATOM 1068 CD PRO A 81 15.688 -7.486 6.908 1.00 0.00 C ATOM 0 HA PRO A 81 16.914 -7.739 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.726 -10.125 4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.355 -9.594 5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.961 -9.526 7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.644 -9.348 7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.708 -7.256 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 81 16.431 -7.055 7.579 1.00 0.00 H new ATOM 1076 N GLU A 82 15.173 -8.590 2.301 1.00 0.00 N ATOM 1077 CA GLU A 82 14.118 -8.873 1.255 1.00 0.00 C ATOM 1078 C GLU A 82 13.385 -10.204 1.569 1.00 0.00 C ATOM 1079 O GLU A 82 14.037 -11.185 1.906 1.00 0.00 O ATOM 1080 CB GLU A 82 14.896 -8.962 -0.112 1.00 0.00 C ATOM 1081 CG GLU A 82 14.025 -9.262 -1.379 1.00 0.00 C ATOM 1082 CD GLU A 82 14.713 -8.623 -2.587 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.643 -9.247 -3.072 1.00 0.00 O ATOM 1084 OE2 GLU A 82 14.271 -7.548 -2.956 1.00 0.00 O ATOM 0 H GLU A 82 16.129 -8.659 1.951 1.00 0.00 H new ATOM 0 HA GLU A 82 13.352 -8.098 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.421 -8.020 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.655 -9.739 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.921 -10.337 -1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.020 -8.858 -1.255 1.00 0.00 H new ATOM 1091 N VAL A 83 12.056 -10.175 1.399 1.00 0.00 N ATOM 1092 CA VAL A 83 11.155 -11.376 1.655 1.00 0.00 C ATOM 1093 C VAL A 83 11.185 -12.368 0.476 1.00 0.00 C ATOM 1094 O VAL A 83 11.103 -13.567 0.704 1.00 0.00 O ATOM 1095 CB VAL A 83 9.631 -10.913 1.921 1.00 0.00 C ATOM 1096 CG1 VAL A 83 9.352 -10.690 3.478 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.157 -9.639 1.071 1.00 0.00 C ATOM 0 H VAL A 83 11.552 -9.345 1.086 1.00 0.00 H new ATOM 0 HA VAL A 83 11.540 -11.875 2.544 1.00 0.00 H new ATOM 0 HB VAL A 83 9.024 -11.744 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.317 -10.379 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.529 -11.621 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.019 -9.917 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.122 -9.403 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.791 -8.785 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.236 -9.862 0.007 1.00 0.00 H new ATOM 1107 N GLY A 84 11.269 -11.820 -0.726 1.00 0.00 N ATOM 1108 CA GLY A 84 11.315 -12.606 -2.003 1.00 0.00 C ATOM 1109 C GLY A 84 9.904 -12.807 -2.532 1.00 0.00 C ATOM 1110 O GLY A 84 8.969 -12.193 -2.041 1.00 0.00 O ATOM 0 H GLY A 84 11.309 -10.811 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.920 -12.081 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.790 -13.572 -1.830 1.00 0.00 H new ATOM 1114 N ALA A 85 9.837 -13.629 -3.554 1.00 0.00 N ATOM 1115 CA ALA A 85 8.550 -13.983 -4.250 1.00 0.00 C ATOM 1116 C ALA A 85 7.527 -14.682 -3.329 1.00 0.00 C ATOM 1117 O ALA A 85 7.790 -15.785 -2.860 1.00 0.00 O ATOM 1118 CB ALA A 85 8.908 -14.933 -5.410 1.00 0.00 C ATOM 0 H ALA A 85 10.656 -14.089 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 85 8.080 -13.060 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.000 -15.215 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.589 -14.429 -6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.388 -15.827 -5.013 1.00 0.00 H new ATOM 1124 N VAL A 86 6.436 -13.936 -3.040 1.00 0.00 N ATOM 1125 CA VAL A 86 5.284 -14.394 -2.160 1.00 0.00 C ATOM 1126 C VAL A 86 3.958 -14.060 -2.900 1.00 0.00 C ATOM 1127 O VAL A 86 3.848 -13.004 -3.506 1.00 0.00 O ATOM 1128 CB VAL A 86 5.424 -13.703 -0.697 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.141 -12.127 -0.673 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.600 -14.478 0.430 1.00 0.00 C ATOM 0 H VAL A 86 6.309 -12.991 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 86 5.294 -15.470 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 86 6.482 -13.803 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.257 -11.752 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.848 -11.620 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.125 -11.935 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.729 -13.973 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.543 -14.489 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.965 -15.502 0.508 1.00 0.00 H new ATOM 1140 N ASP A 87 3.023 -15.007 -2.821 1.00 0.00 N ATOM 1141 CA ASP A 87 1.662 -14.887 -3.468 1.00 0.00 C ATOM 1142 C ASP A 87 0.653 -14.283 -2.496 1.00 0.00 C ATOM 1143 O ASP A 87 0.861 -14.338 -1.298 1.00 0.00 O ATOM 1144 CB ASP A 87 1.187 -16.314 -3.792 1.00 0.00 C ATOM 1145 CG ASP A 87 2.329 -17.098 -4.443 1.00 0.00 C ATOM 1146 OD1 ASP A 87 2.543 -16.863 -5.621 1.00 0.00 O ATOM 1147 OD2 ASP A 87 2.918 -17.892 -3.728 1.00 0.00 O ATOM 0 H ASP A 87 3.159 -15.883 -2.317 1.00 0.00 H new ATOM 0 HA ASP A 87 1.734 -14.254 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.861 -16.816 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.328 -16.279 -4.462 1.00 0.00 H new ATOM 1152 N CYS A 88 -0.407 -13.723 -3.056 1.00 0.00 N ATOM 1153 CA CYS A 88 -1.504 -13.081 -2.242 1.00 0.00 C ATOM 1154 C CYS A 88 -2.426 -14.134 -1.592 1.00 0.00 C ATOM 1155 O CYS A 88 -2.960 -13.902 -0.520 1.00 0.00 O ATOM 1156 CB CYS A 88 -2.375 -12.252 -3.215 1.00 0.00 C ATOM 1157 SG CYS A 88 -1.711 -10.697 -3.896 1.00 0.00 S ATOM 0 H CYS A 88 -0.559 -13.684 -4.064 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.048 -12.479 -1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -2.631 -12.896 -4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -3.306 -12.014 -2.701 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.559 -15.267 -2.266 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.427 -16.411 -1.791 1.00 0.00 C ATOM 1164 C ASP A 89 -2.945 -17.134 -0.516 1.00 0.00 C ATOM 1165 O ASP A 89 -3.784 -17.601 0.241 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.439 -17.449 -2.927 1.00 0.00 C ATOM 1167 CG ASP A 89 -4.247 -16.907 -4.110 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -3.636 -16.229 -4.920 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -5.430 -17.207 -4.142 1.00 0.00 O ATOM 0 H ASP A 89 -2.087 -15.449 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.398 -15.983 -1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.419 -17.671 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -3.874 -18.384 -2.574 1.00 0.00 H new ATOM 1174 N THR A 90 -1.634 -17.133 -0.279 1.00 0.00 N ATOM 1175 CA THR A 90 -1.036 -17.825 0.945 1.00 0.00 C ATOM 1176 C THR A 90 -1.169 -16.983 2.225 1.00 0.00 C ATOM 1177 O THR A 90 -1.306 -17.569 3.294 1.00 0.00 O ATOM 1178 CB THR A 90 0.493 -18.056 0.713 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.958 -16.898 0.060 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.851 -19.207 -0.280 1.00 0.00 C ATOM 0 H THR A 90 -0.948 -16.681 -0.883 1.00 0.00 H new ATOM 0 HA THR A 90 -1.584 -18.759 1.073 1.00 0.00 H new ATOM 0 HB THR A 90 0.921 -18.294 1.687 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.919 -16.983 -0.112 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.934 -19.285 -0.371 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.450 -20.149 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.419 -18.992 -1.257 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.157 -15.649 2.082 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.278 -14.717 3.286 1.00 0.00 C ATOM 1190 C ALA A 91 -2.724 -14.802 3.951 1.00 0.00 C ATOM 1191 O ALA A 91 -3.636 -15.064 3.183 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.088 -13.266 2.798 1.00 0.00 C ATOM 0 H ALA A 91 -1.069 -15.172 1.185 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.527 -15.012 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.171 -12.584 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.103 -13.161 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.855 -13.026 2.062 1.00 0.00 H new ATOM 1198 N PRO A 92 -2.971 -14.557 5.317 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.368 -14.658 5.887 1.00 0.00 C ATOM 1200 C PRO A 92 -5.280 -13.476 5.494 1.00 0.00 C ATOM 1201 O PRO A 92 -6.422 -13.701 5.122 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.165 -14.620 7.417 1.00 0.00 C ATOM 1203 CG PRO A 92 -2.791 -13.984 7.675 1.00 0.00 C ATOM 1204 CD PRO A 92 -1.972 -14.167 6.395 1.00 0.00 C ATOM 0 HA PRO A 92 -4.855 -15.557 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.954 -14.040 7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.209 -15.625 7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.894 -12.927 7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.297 -14.461 8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.450 -13.248 6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.213 -14.939 6.523 1.00 0.00 H new ATOM 1212 N GLY A 93 -4.735 -12.259 5.583 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.495 -10.996 5.241 1.00 0.00 C ATOM 1214 C GLY A 93 -5.766 -10.854 3.740 1.00 0.00 C ATOM 1215 O GLY A 93 -6.862 -10.477 3.359 1.00 0.00 O ATOM 0 H GLY A 93 -3.775 -12.095 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.443 -10.991 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.928 -10.132 5.587 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.726 -11.114 2.953 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.791 -11.028 1.442 1.00 0.00 C ATOM 1221 C GLY A 94 -4.583 -9.588 0.933 1.00 0.00 C ATOM 1222 O GLY A 94 -4.747 -8.627 1.670 1.00 0.00 O ATOM 0 H GLY A 94 -3.811 -11.390 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.031 -11.678 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.758 -11.397 1.100 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.225 -9.514 -0.340 1.00 0.00 N ATOM 1227 CA CYS A 95 -3.966 -8.210 -1.046 1.00 0.00 C ATOM 1228 C CYS A 95 -5.248 -7.388 -1.276 1.00 0.00 C ATOM 1229 O CYS A 95 -6.300 -7.971 -1.480 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.382 -8.589 -2.406 1.00 0.00 C ATOM 1231 SG CYS A 95 -1.734 -9.342 -2.388 1.00 0.00 S ATOM 0 H CYS A 95 -4.099 -10.334 -0.933 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.304 -7.592 -0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.069 -9.281 -2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.342 -7.692 -3.024 1.00 0.00 H new ATOM 1236 N GLU A 96 -5.092 -6.051 -1.207 1.00 0.00 N ATOM 1237 CA GLU A 96 -6.216 -5.031 -1.399 1.00 0.00 C ATOM 1238 C GLU A 96 -5.628 -3.776 -2.084 1.00 0.00 C ATOM 1239 O GLU A 96 -4.527 -3.394 -1.742 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.688 -4.519 0.008 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.801 -5.356 0.692 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.804 -5.017 2.183 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -8.373 -3.987 2.504 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -7.237 -5.808 2.919 1.00 0.00 O ATOM 0 H GLU A 96 -4.189 -5.616 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.020 -5.496 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.824 -4.488 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.044 -3.495 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.772 -5.132 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.621 -6.421 0.544 1.00 0.00 H new ATOM 1251 N ILE A 97 -6.384 -3.194 -3.028 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.960 -1.943 -3.796 1.00 0.00 C ATOM 1253 C ILE A 97 -6.269 -0.790 -2.809 1.00 0.00 C ATOM 1254 O ILE A 97 -7.377 -0.762 -2.305 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.854 -1.850 -5.148 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -6.476 -2.992 -6.236 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -6.907 -0.364 -5.792 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -5.255 -2.747 -7.200 1.00 0.00 C ATOM 0 H ILE A 97 -7.301 -3.548 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.916 -1.926 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.874 -2.062 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.286 -3.917 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.357 -3.162 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.522 -0.379 -6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.337 0.330 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.898 -0.042 -6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.138 -3.604 -7.863 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.434 -1.850 -7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.347 -2.617 -6.611 1.00 0.00 H new ATOM 1270 N VAL A 98 -5.267 0.084 -2.543 1.00 0.00 N ATOM 1271 CA VAL A 98 -5.399 1.284 -1.593 1.00 0.00 C ATOM 1272 C VAL A 98 -4.861 2.501 -2.391 1.00 0.00 C ATOM 1273 O VAL A 98 -3.886 2.371 -3.120 1.00 0.00 O ATOM 1274 CB VAL A 98 -4.535 1.116 -0.219 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -5.001 2.128 0.951 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.574 -0.376 0.312 1.00 0.00 C ATOM 0 H VAL A 98 -4.341 0.003 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.437 1.392 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.510 1.375 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.388 1.966 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.883 3.157 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.047 1.945 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.988 -0.452 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.606 -0.663 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.155 -1.042 -0.442 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.601 3.607 -2.255 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.327 4.958 -2.906 1.00 0.00 C ATOM 1288 C VAL A 99 -5.372 5.925 -1.692 1.00 0.00 C ATOM 1289 O VAL A 99 -6.169 5.706 -0.788 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.493 5.350 -3.973 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.064 6.561 -4.938 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.963 4.089 -4.832 1.00 0.00 C ATOM 0 H VAL A 99 -6.441 3.620 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.392 4.981 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.340 5.691 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.878 6.781 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.848 7.445 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.175 6.279 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.741 4.395 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.114 3.690 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.355 3.321 -4.166 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.486 6.924 -1.678 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.447 7.925 -0.539 1.00 0.00 C ATOM 1304 C GLY A 100 -3.379 8.999 -0.785 1.00 0.00 C ATOM 1305 O GLY A 100 -2.303 8.677 -1.263 1.00 0.00 O ATOM 0 H GLY A 100 -3.792 7.084 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.424 8.397 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.238 7.408 0.397 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.716 10.237 -0.387 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.800 11.436 -0.546 1.00 0.00 C ATOM 1311 C GLY A 101 -1.826 11.597 0.622 1.00 0.00 C ATOM 1312 O GLY A 101 -1.609 10.670 1.388 1.00 0.00 O ATOM 0 H GLY A 101 -4.611 10.459 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.235 11.336 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.404 12.339 -0.637 1.00 0.00 H new ATOM 1316 N ASN A 102 -1.309 12.824 0.727 1.00 0.00 N ATOM 1317 CA ASN A 102 -0.322 13.216 1.805 1.00 0.00 C ATOM 1318 C ASN A 102 -0.974 13.316 3.201 1.00 0.00 C ATOM 1319 O ASN A 102 -0.278 13.174 4.196 1.00 0.00 O ATOM 1320 CB ASN A 102 0.296 14.590 1.422 1.00 0.00 C ATOM 1321 CG ASN A 102 -0.783 15.665 1.209 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -1.372 15.774 0.150 1.00 0.00 O ATOM 1323 ND2 ASN A 102 -1.059 16.489 2.184 1.00 0.00 N ATOM 0 H ASN A 102 -1.542 13.584 0.088 1.00 0.00 H new ATOM 0 HA ASN A 102 0.440 12.439 1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 102 0.979 14.912 2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.885 14.482 0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -1.763 17.216 2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.571 16.406 3.076 1.00 0.00 H new ATOM 1330 N THR A 103 -2.299 13.540 3.218 1.00 0.00 N ATOM 1331 CA THR A 103 -3.103 13.665 4.503 1.00 0.00 C ATOM 1332 C THR A 103 -3.203 12.305 5.213 1.00 0.00 C ATOM 1333 O THR A 103 -3.270 12.267 6.434 1.00 0.00 O ATOM 1334 CB THR A 103 -4.553 14.118 4.158 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.885 13.442 2.960 1.00 0.00 O ATOM 1336 CG2 THR A 103 -4.697 15.626 3.790 1.00 0.00 C ATOM 0 H THR A 103 -2.859 13.642 2.372 1.00 0.00 H new ATOM 0 HA THR A 103 -2.604 14.387 5.149 1.00 0.00 H new ATOM 0 HB THR A 103 -5.168 13.916 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.795 13.685 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.740 15.848 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.368 16.238 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.083 15.848 2.917 1.00 0.00 H new ATOM 1344 N GLY A 104 -3.238 11.248 4.394 1.00 0.00 N ATOM 1345 CA GLY A 104 -3.329 9.812 4.868 1.00 0.00 C ATOM 1346 C GLY A 104 -4.758 9.261 4.843 1.00 0.00 C ATOM 1347 O GLY A 104 -4.974 8.202 5.410 1.00 0.00 O ATOM 0 H GLY A 104 -3.205 11.336 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.694 9.187 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.938 9.745 5.883 1.00 0.00 H new ATOM 1351 N GLU A 105 -5.680 9.985 4.191 1.00 0.00 N ATOM 1352 CA GLU A 105 -7.128 9.542 4.091 1.00 0.00 C ATOM 1353 C GLU A 105 -7.192 8.347 3.103 1.00 0.00 C ATOM 1354 O GLU A 105 -7.120 8.524 1.895 1.00 0.00 O ATOM 1355 CB GLU A 105 -7.991 10.742 3.543 1.00 0.00 C ATOM 1356 CG GLU A 105 -8.367 11.779 4.638 1.00 0.00 C ATOM 1357 CD GLU A 105 -8.811 13.066 3.943 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -9.965 13.097 3.545 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -7.973 13.943 3.846 1.00 0.00 O ATOM 0 H GLU A 105 -5.480 10.869 3.724 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.515 9.242 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.438 11.246 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.904 10.349 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.167 11.392 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.513 11.973 5.288 1.00 0.00 H new ATOM 1366 N TYR A 106 -7.319 7.152 3.681 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.391 5.860 2.886 1.00 0.00 C ATOM 1368 C TYR A 106 -8.765 5.660 2.189 1.00 0.00 C ATOM 1369 O TYR A 106 -9.685 6.441 2.378 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.183 4.676 3.884 1.00 0.00 C ATOM 1371 CG TYR A 106 -6.071 5.016 4.973 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -4.697 4.960 4.645 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -6.392 5.315 6.323 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -3.730 5.175 5.607 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -5.394 5.524 7.255 1.00 0.00 C ATOM 1376 CZ TYR A 106 -4.068 5.456 6.908 1.00 0.00 C ATOM 1377 OH TYR A 106 -3.087 5.667 7.853 1.00 0.00 O ATOM 0 H TYR A 106 -7.377 7.020 4.691 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.626 5.899 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.125 4.450 4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.892 3.782 3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -4.400 4.746 3.629 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.427 5.380 6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.687 5.121 5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.663 5.745 8.277 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.503 5.854 8.720 1.00 0.00 H new ATOM 1387 N GLY A 107 -8.837 4.600 1.392 1.00 0.00 N ATOM 1388 CA GLY A 107 -10.079 4.228 0.625 1.00 0.00 C ATOM 1389 C GLY A 107 -9.860 2.847 -0.007 1.00 0.00 C ATOM 1390 O GLY A 107 -9.584 2.746 -1.191 1.00 0.00 O ATOM 0 H GLY A 107 -8.056 3.961 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.944 4.209 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.285 4.970 -0.146 1.00 0.00 H new ATOM 1394 N ASN A 108 -10.006 1.830 0.838 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.832 0.385 0.431 1.00 0.00 C ATOM 1396 C ASN A 108 -10.935 -0.117 -0.521 1.00 0.00 C ATOM 1397 O ASN A 108 -12.017 0.448 -0.545 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.903 -0.451 1.724 1.00 0.00 C ATOM 1399 CG ASN A 108 -8.875 0.075 2.731 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -9.186 0.874 3.592 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -7.643 -0.348 2.658 1.00 0.00 N ATOM 0 H ASN A 108 -10.246 1.952 1.822 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.884 0.290 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.905 -0.397 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.707 -1.500 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -6.947 -0.008 3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -7.376 -1.019 1.937 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.588 -1.155 -1.301 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.534 -1.799 -2.305 1.00 0.00 C ATOM 1410 C ALA A 109 -10.999 -3.211 -2.675 1.00 0.00 C ATOM 1411 O ALA A 109 -10.064 -3.338 -3.447 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.625 -0.906 -3.583 1.00 0.00 C ATOM 0 H ALA A 109 -9.664 -1.586 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.529 -1.894 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.302 -1.367 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.001 0.080 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.635 -0.807 -4.029 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.595 -4.233 -2.054 1.00 0.00 N ATOM 1419 CA ALA A 110 -11.206 -5.680 -2.289 1.00 0.00 C ATOM 1420 C ALA A 110 -11.555 -6.197 -3.694 1.00 0.00 C ATOM 1421 O ALA A 110 -12.415 -5.634 -4.354 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.988 -6.528 -1.277 1.00 0.00 C ATOM 0 H ALA A 110 -12.351 -4.114 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.124 -5.751 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.736 -7.580 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -11.726 -6.220 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -13.057 -6.388 -1.434 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.826 -7.266 -4.070 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.938 -8.004 -5.402 1.00 0.00 C ATOM 1430 C ILE A 111 -11.191 -9.504 -5.096 1.00 0.00 C ATOM 1431 O ILE A 111 -11.217 -9.856 -3.929 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.599 -7.746 -6.297 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -8.239 -8.558 -5.903 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.318 -6.168 -6.471 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -7.800 -8.608 -4.399 1.00 0.00 C ATOM 0 H ILE A 111 -10.117 -7.673 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.773 -7.633 -5.997 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.861 -8.199 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.356 -9.586 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.418 -8.123 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.420 -6.022 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.167 -5.700 -6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.176 -5.713 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.880 -9.185 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.631 -7.594 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.584 -9.080 -3.807 1.00 0.00 H new ATOM 1447 N SER A 112 -11.389 -10.318 -6.147 1.00 0.00 N ATOM 1448 CA SER A 112 -11.646 -11.808 -6.003 1.00 0.00 C ATOM 1449 C SER A 112 -11.355 -12.518 -7.337 1.00 0.00 C ATOM 1450 O SER A 112 -11.975 -12.194 -8.338 1.00 0.00 O ATOM 1451 CB SER A 112 -13.134 -12.034 -5.654 1.00 0.00 C ATOM 1452 OG SER A 112 -13.186 -11.976 -4.237 1.00 0.00 O ATOM 0 H SER A 112 -11.381 -9.994 -7.114 1.00 0.00 H new ATOM 0 HA SER A 112 -11.002 -12.206 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.767 -11.269 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.485 -12.997 -6.024 1.00 0.00 H new ATOM 0 HG SER A 112 -12.552 -11.302 -3.914 1.00 0.00 H new ATOM 1458 N PHE A 113 -10.418 -13.475 -7.300 1.00 0.00 N ATOM 1459 CA PHE A 113 -10.014 -14.268 -8.526 1.00 0.00 C ATOM 1460 C PHE A 113 -11.110 -15.268 -8.917 1.00 0.00 C ATOM 1461 O PHE A 113 -11.913 -15.651 -8.077 1.00 0.00 O ATOM 1462 CB PHE A 113 -8.739 -15.085 -8.188 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.681 -14.193 -7.395 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -6.879 -13.239 -8.069 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -7.477 -14.319 -5.990 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -5.950 -12.484 -7.384 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -6.537 -13.543 -5.343 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.780 -12.634 -6.034 1.00 0.00 C ATOM 0 H PHE A 113 -9.914 -13.736 -6.453 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.845 -13.572 -9.347 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -9.008 -15.955 -7.589 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.288 -15.459 -9.107 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.997 -13.101 -9.134 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.064 -15.029 -5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.349 -11.765 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.396 -13.654 -4.278 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.048 -12.035 -5.513 1.00 0.00 H new ATOM 1478 N GLY A 114 -11.094 -15.650 -10.192 1.00 0.00 N ATOM 1479 CA GLY A 114 -12.093 -16.629 -10.762 1.00 0.00 C ATOM 1480 C GLY A 114 -11.864 -18.046 -10.218 1.00 0.00 C ATOM 1481 O GLY A 114 -10.977 -18.693 -10.749 1.00 0.00 O ATOM 1482 OXT GLY A 114 -12.591 -18.399 -9.304 1.00 0.00 O ATOM 0 H GLY A 114 -10.412 -15.312 -10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -13.104 -16.303 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.015 -16.638 -11.849 1.00 0.00 H new TER 1486 GLY A 114