USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 996 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 94 ASN :FLIP amide:sc= -3.6! C(o=-4.1!,f=-3!) USER MOD Set 1.2: A 113 SER OG : rot 176:sc= 0.58! USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0697 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -3:sc= 0.577! USER MOD Single : A 6 SER OG : rot 45:sc= 0.305 USER MOD Single : A 8 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.681 K(o=-0.68,f=-1.8!) USER MOD Single : A 11 SER OG : rot 48:sc= 0.502 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= 0.0632 F(o=-0.79,f=0.063) USER MOD Single : A 17 THR OG1 : rot 42:sc= 0.326 USER MOD Single : A 19 GLN : amide:sc= -0.0332 K(o=-0.033,f=-4.1!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.7) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 0.192 (180deg=0.0605) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -30:sc= 0.0887! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -106:sc= -1.87 (180deg=-3.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -105:sc= -6.13! (180deg=-10.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 16:sc= -1.05 USER MOD Single : A 70 THR OG1 : rot -69:sc= -1.07 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -85:sc= 1.21 USER MOD Single : A 83 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-5.5!) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.389 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.9!) USER MOD Single : A 114 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.172) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.128 F(o=-1.2,f=-0.13) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 26:sc= 0.728! USER MOD Single : A 129 SER OG : rot 180:sc= -0.542 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.229 14.779 -6.239 1.00 0.00 N ATOM 2 CA GLY A 1 -39.024 14.438 -5.503 1.00 0.00 C ATOM 3 C GLY A 1 -38.888 12.922 -5.347 1.00 0.00 C ATOM 4 O GLY A 1 -39.882 12.199 -5.385 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.735 15.540 -5.743 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.973 15.099 -7.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.843 13.942 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.152 14.833 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.049 14.908 -4.520 1.00 0.00 H new ATOM 8 N SER A 2 -37.649 12.486 -5.174 1.00 0.00 N ATOM 9 CA SER A 2 -37.370 11.069 -5.011 1.00 0.00 C ATOM 10 C SER A 2 -36.630 10.829 -3.694 1.00 0.00 C ATOM 11 O SER A 2 -35.401 10.804 -3.664 1.00 0.00 O ATOM 12 CB SER A 2 -36.551 10.530 -6.186 1.00 0.00 C ATOM 13 OG SER A 2 -37.373 10.195 -7.301 1.00 0.00 O ATOM 0 H SER A 2 -36.827 13.089 -5.143 1.00 0.00 H new ATOM 0 HA SER A 2 -38.319 10.534 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.816 11.276 -6.488 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.996 9.648 -5.867 1.00 0.00 H new ATOM 0 HG SER A 2 -36.813 9.857 -8.030 1.00 0.00 H new ATOM 19 N SER A 3 -37.410 10.658 -2.637 1.00 0.00 N ATOM 20 CA SER A 3 -36.844 10.420 -1.320 1.00 0.00 C ATOM 21 C SER A 3 -35.685 9.427 -1.420 1.00 0.00 C ATOM 22 O SER A 3 -35.901 8.235 -1.631 1.00 0.00 O ATOM 23 CB SER A 3 -37.906 9.900 -0.349 1.00 0.00 C ATOM 24 OG SER A 3 -38.890 10.888 -0.055 1.00 0.00 O ATOM 0 H SER A 3 -38.429 10.680 -2.666 1.00 0.00 H new ATOM 0 HA SER A 3 -36.470 11.368 -0.933 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.390 9.022 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 3 -37.426 9.580 0.576 1.00 0.00 H new ATOM 0 HG SER A 3 -39.551 10.517 0.566 1.00 0.00 H new ATOM 30 N GLY A 4 -34.480 9.956 -1.263 1.00 0.00 N ATOM 31 CA GLY A 4 -33.286 9.130 -1.333 1.00 0.00 C ATOM 32 C GLY A 4 -32.750 9.062 -2.764 1.00 0.00 C ATOM 33 O GLY A 4 -32.961 8.073 -3.464 1.00 0.00 O ATOM 0 H GLY A 4 -34.305 10.945 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.520 9.536 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.513 8.125 -0.978 1.00 0.00 H new ATOM 37 N SER A 5 -32.066 10.127 -3.157 1.00 0.00 N ATOM 38 CA SER A 5 -31.498 10.201 -4.493 1.00 0.00 C ATOM 39 C SER A 5 -30.543 11.392 -4.590 1.00 0.00 C ATOM 40 O SER A 5 -30.931 12.527 -4.318 1.00 0.00 O ATOM 41 CB SER A 5 -32.595 10.312 -5.553 1.00 0.00 C ATOM 42 OG SER A 5 -33.039 11.655 -5.723 1.00 0.00 O ATOM 0 H SER A 5 -31.892 10.946 -2.574 1.00 0.00 H new ATOM 0 HA SER A 5 -30.943 9.282 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.221 9.931 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.439 9.684 -5.268 1.00 0.00 H new ATOM 0 HG SER A 5 -32.579 12.235 -5.081 1.00 0.00 H new ATOM 48 N SER A 6 -29.312 11.094 -4.979 1.00 0.00 N ATOM 49 CA SER A 6 -28.299 12.126 -5.116 1.00 0.00 C ATOM 50 C SER A 6 -27.026 11.533 -5.722 1.00 0.00 C ATOM 51 O SER A 6 -26.244 10.888 -5.024 1.00 0.00 O ATOM 52 CB SER A 6 -27.991 12.778 -3.766 1.00 0.00 C ATOM 53 OG SER A 6 -27.701 11.811 -2.760 1.00 0.00 O ATOM 0 H SER A 6 -28.993 10.152 -5.204 1.00 0.00 H new ATOM 0 HA SER A 6 -28.685 12.898 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.143 13.454 -3.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.842 13.383 -3.453 1.00 0.00 H new ATOM 0 HG SER A 6 -27.090 11.135 -3.122 1.00 0.00 H new ATOM 59 N GLY A 7 -26.856 11.772 -7.014 1.00 0.00 N ATOM 60 CA GLY A 7 -25.691 11.269 -7.721 1.00 0.00 C ATOM 61 C GLY A 7 -25.767 9.751 -7.894 1.00 0.00 C ATOM 62 O GLY A 7 -26.567 9.251 -8.683 1.00 0.00 O ATOM 0 H GLY A 7 -27.506 12.307 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.620 11.747 -8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.787 11.531 -7.172 1.00 0.00 H new ATOM 66 N HIS A 8 -24.923 9.059 -7.141 1.00 0.00 N ATOM 67 CA HIS A 8 -24.885 7.608 -7.201 1.00 0.00 C ATOM 68 C HIS A 8 -24.067 7.166 -8.416 1.00 0.00 C ATOM 69 O HIS A 8 -23.019 6.539 -8.269 1.00 0.00 O ATOM 70 CB HIS A 8 -26.300 7.026 -7.194 1.00 0.00 C ATOM 71 CG HIS A 8 -26.390 5.637 -6.610 1.00 0.00 C ATOM 72 ND1 HIS A 8 -27.406 4.753 -6.931 1.00 0.00 N ATOM 73 CD2 HIS A 8 -25.580 4.988 -5.725 1.00 0.00 C ATOM 74 CE1 HIS A 8 -27.207 3.627 -6.262 1.00 0.00 C ATOM 75 NE2 HIS A 8 -26.075 3.774 -5.515 1.00 0.00 N ATOM 0 H HIS A 8 -24.261 9.477 -6.487 1.00 0.00 H new ATOM 0 HA HIS A 8 -24.390 7.217 -6.312 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -26.952 7.690 -6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -26.678 7.004 -8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -24.687 5.393 -5.272 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -27.832 2.747 -6.301 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -25.675 3.068 -4.897 1.00 0.00 H new ATOM 83 N SER A 9 -24.577 7.510 -9.589 1.00 0.00 N ATOM 84 CA SER A 9 -23.908 7.156 -10.829 1.00 0.00 C ATOM 85 C SER A 9 -23.319 8.409 -11.481 1.00 0.00 C ATOM 86 O SER A 9 -23.990 9.434 -11.584 1.00 0.00 O ATOM 87 CB SER A 9 -24.868 6.457 -11.794 1.00 0.00 C ATOM 88 OG SER A 9 -25.393 5.252 -11.244 1.00 0.00 O ATOM 0 H SER A 9 -25.446 8.030 -9.707 1.00 0.00 H new ATOM 0 HA SER A 9 -23.101 6.461 -10.596 1.00 0.00 H new ATOM 0 HB2 SER A 9 -25.689 7.131 -12.041 1.00 0.00 H new ATOM 0 HB3 SER A 9 -24.348 6.234 -12.725 1.00 0.00 H new ATOM 0 HG SER A 9 -26.003 4.836 -11.889 1.00 0.00 H new ATOM 94 N HIS A 10 -22.069 8.284 -11.905 1.00 0.00 N ATOM 95 CA HIS A 10 -21.382 9.393 -12.545 1.00 0.00 C ATOM 96 C HIS A 10 -20.011 8.930 -13.040 1.00 0.00 C ATOM 97 O HIS A 10 -19.738 8.955 -14.239 1.00 0.00 O ATOM 98 CB HIS A 10 -21.298 10.596 -11.603 1.00 0.00 C ATOM 99 CG HIS A 10 -20.545 11.773 -12.175 1.00 0.00 C ATOM 100 ND1 HIS A 10 -19.193 11.727 -12.470 1.00 0.00 N ATOM 101 CD2 HIS A 10 -20.969 13.027 -12.505 1.00 0.00 C ATOM 102 CE1 HIS A 10 -18.830 12.906 -12.953 1.00 0.00 C ATOM 103 NE2 HIS A 10 -19.932 13.710 -12.974 1.00 0.00 N ATOM 0 H HIS A 10 -21.515 7.432 -11.818 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.950 9.725 -13.414 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -22.308 10.914 -11.346 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -20.816 10.285 -10.676 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -21.977 13.401 -12.402 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -17.836 13.182 -13.274 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -19.955 14.677 -13.297 1.00 0.00 H new ATOM 111 N SER A 11 -19.183 8.519 -12.091 1.00 0.00 N ATOM 112 CA SER A 11 -17.846 8.051 -12.415 1.00 0.00 C ATOM 113 C SER A 11 -17.780 6.528 -12.290 1.00 0.00 C ATOM 114 O SER A 11 -17.264 6.004 -11.303 1.00 0.00 O ATOM 115 CB SER A 11 -16.799 8.704 -11.510 1.00 0.00 C ATOM 116 OG SER A 11 -17.060 8.462 -10.130 1.00 0.00 O ATOM 0 H SER A 11 -19.412 8.500 -11.097 1.00 0.00 H new ATOM 0 HA SER A 11 -17.625 8.335 -13.444 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.811 8.321 -11.764 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.782 9.778 -11.693 1.00 0.00 H new ATOM 0 HG SER A 11 -17.236 7.508 -9.993 1.00 0.00 H new ATOM 122 N ASP A 12 -18.309 5.859 -13.303 1.00 0.00 N ATOM 123 CA ASP A 12 -18.317 4.406 -13.319 1.00 0.00 C ATOM 124 C ASP A 12 -17.721 3.911 -14.638 1.00 0.00 C ATOM 125 O ASP A 12 -18.451 3.500 -15.538 1.00 0.00 O ATOM 126 CB ASP A 12 -19.743 3.861 -13.211 1.00 0.00 C ATOM 127 CG ASP A 12 -20.158 3.411 -11.809 1.00 0.00 C ATOM 128 OD1 ASP A 12 -20.493 4.305 -11.001 1.00 0.00 O ATOM 129 OD2 ASP A 12 -20.132 2.183 -11.576 1.00 0.00 O ATOM 0 H ASP A 12 -18.736 6.297 -14.120 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.732 4.057 -12.468 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.437 4.631 -13.550 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.846 3.017 -13.893 1.00 0.00 H new ATOM 134 N LYS A 13 -16.399 3.967 -14.711 1.00 0.00 N ATOM 135 CA LYS A 13 -15.696 3.530 -15.905 1.00 0.00 C ATOM 136 C LYS A 13 -14.818 2.325 -15.562 1.00 0.00 C ATOM 137 O LYS A 13 -15.097 1.600 -14.609 1.00 0.00 O ATOM 138 CB LYS A 13 -14.926 4.695 -16.531 1.00 0.00 C ATOM 139 CG LYS A 13 -13.770 5.134 -15.630 1.00 0.00 C ATOM 140 CD LYS A 13 -12.516 5.433 -16.454 1.00 0.00 C ATOM 141 CE LYS A 13 -12.275 6.940 -16.559 1.00 0.00 C ATOM 142 NZ LYS A 13 -11.810 7.297 -17.918 1.00 0.00 N ATOM 0 H LYS A 13 -15.796 4.309 -13.962 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.404 3.202 -16.666 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.540 4.398 -17.506 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.601 5.534 -16.698 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.060 6.021 -15.067 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.554 4.352 -14.903 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.652 4.954 -15.994 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.622 5.008 -17.452 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.195 7.478 -16.330 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.533 7.248 -15.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.651 8.323 -17.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.921 6.798 -18.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.531 7.021 -18.615 1.00 0.00 H new ATOM 156 N HIS A 14 -13.774 2.149 -16.359 1.00 0.00 N ATOM 157 CA HIS A 14 -12.853 1.044 -16.152 1.00 0.00 C ATOM 158 C HIS A 14 -12.162 1.199 -14.796 1.00 0.00 C ATOM 159 O HIS A 14 -11.915 2.317 -14.345 1.00 0.00 O ATOM 160 CB HIS A 14 -11.862 0.938 -17.313 1.00 0.00 C ATOM 161 CG HIS A 14 -12.503 1.026 -18.677 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.987 2.099 -19.367 1.00 0.00 N flip ATOM 163 CD2 HIS A 14 -12.703 -0.080 -19.485 1.00 0.00 C flip ATOM 164 CE1 HIS A 14 -13.456 1.671 -20.533 1.00 0.00 C flip ATOM 165 NE2 HIS A 14 -13.281 0.321 -20.607 1.00 0.00 N flip ATOM 0 H HIS A 14 -13.546 2.753 -17.149 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.405 0.104 -16.134 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.121 1.732 -17.219 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.326 -0.008 -17.235 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.433 -1.097 -19.242 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.903 2.290 -21.297 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.548 -0.276 -21.390 1.00 0.00 H new ATOM 173 N PRO A 15 -11.863 0.032 -14.166 1.00 0.00 N ATOM 174 CA PRO A 15 -11.206 0.027 -12.870 1.00 0.00 C ATOM 175 C PRO A 15 -9.722 0.374 -13.007 1.00 0.00 C ATOM 176 O PRO A 15 -9.093 0.818 -12.047 1.00 0.00 O ATOM 177 CB PRO A 15 -11.441 -1.368 -12.315 1.00 0.00 C ATOM 178 CG PRO A 15 -11.815 -2.234 -13.507 1.00 0.00 C ATOM 179 CD PRO A 15 -12.141 -1.310 -14.670 1.00 0.00 C ATOM 0 HA PRO A 15 -11.605 0.783 -12.193 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.546 -1.748 -11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.237 -1.363 -11.571 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.993 -2.900 -13.768 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.672 -2.864 -13.268 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.529 -1.540 -15.542 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.182 -1.410 -14.976 1.00 0.00 H new ATOM 187 N VAL A 16 -9.204 0.159 -14.207 1.00 0.00 N ATOM 188 CA VAL A 16 -7.806 0.444 -14.482 1.00 0.00 C ATOM 189 C VAL A 16 -7.712 1.586 -15.495 1.00 0.00 C ATOM 190 O VAL A 16 -8.475 1.630 -16.459 1.00 0.00 O ATOM 191 CB VAL A 16 -7.095 -0.829 -14.947 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.619 -0.555 -15.243 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.249 -1.951 -13.919 1.00 0.00 C ATOM 0 H VAL A 16 -9.728 -0.210 -15.001 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.297 0.772 -13.576 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.568 -1.157 -15.873 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.137 -1.476 -15.571 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.539 0.197 -16.028 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.128 -0.191 -14.340 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.734 -2.844 -14.275 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.816 -1.637 -12.970 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.307 -2.174 -13.779 1.00 0.00 H new ATOM 203 N THR A 17 -6.770 2.483 -15.242 1.00 0.00 N ATOM 204 CA THR A 17 -6.566 3.622 -16.121 1.00 0.00 C ATOM 205 C THR A 17 -5.086 4.007 -16.161 1.00 0.00 C ATOM 206 O THR A 17 -4.436 4.095 -15.121 1.00 0.00 O ATOM 207 CB THR A 17 -7.476 4.756 -15.643 1.00 0.00 C ATOM 208 OG1 THR A 17 -7.658 4.493 -14.254 1.00 0.00 O ATOM 209 CG2 THR A 17 -8.886 4.662 -16.229 1.00 0.00 C ATOM 0 H THR A 17 -6.140 2.444 -14.441 1.00 0.00 H new ATOM 0 HA THR A 17 -6.834 3.381 -17.150 1.00 0.00 H new ATOM 0 HB THR A 17 -7.034 5.715 -15.914 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.804 4.219 -13.858 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.490 5.490 -15.858 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.832 4.711 -17.317 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.342 3.718 -15.931 1.00 0.00 H new ATOM 217 N TRP A 18 -4.597 4.224 -17.373 1.00 0.00 N ATOM 218 CA TRP A 18 -3.205 4.597 -17.563 1.00 0.00 C ATOM 219 C TRP A 18 -3.165 5.828 -18.470 1.00 0.00 C ATOM 220 O TRP A 18 -3.447 5.733 -19.664 1.00 0.00 O ATOM 221 CB TRP A 18 -2.393 3.423 -18.112 1.00 0.00 C ATOM 222 CG TRP A 18 -2.286 2.237 -17.151 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.113 1.189 -17.037 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.252 2.018 -16.168 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.691 0.315 -16.056 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.523 0.835 -15.511 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.125 2.794 -15.844 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.715 0.323 -14.489 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.673 2.269 -14.821 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.413 1.079 -14.149 1.00 0.00 C ATOM 0 H TRP A 18 -5.140 4.149 -18.233 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.740 4.852 -16.610 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.848 3.084 -19.043 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.389 3.771 -18.356 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.999 1.046 -17.638 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.151 -0.553 -15.781 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.107 3.722 -16.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.949 -0.605 -13.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.552 2.827 -14.533 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.078 0.740 -13.369 1.00 0.00 H new ATOM 241 N GLN A 19 -2.812 6.955 -17.869 1.00 0.00 N ATOM 242 CA GLN A 19 -2.732 8.204 -18.609 1.00 0.00 C ATOM 243 C GLN A 19 -1.470 8.974 -18.213 1.00 0.00 C ATOM 244 O GLN A 19 -0.964 8.815 -17.104 1.00 0.00 O ATOM 245 CB GLN A 19 -3.984 9.053 -18.388 1.00 0.00 C ATOM 246 CG GLN A 19 -5.235 8.327 -18.888 1.00 0.00 C ATOM 247 CD GLN A 19 -5.480 8.616 -20.371 1.00 0.00 C ATOM 248 OE1 GLN A 19 -4.658 9.194 -21.062 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.654 8.181 -20.819 1.00 0.00 N ATOM 0 H GLN A 19 -2.578 7.030 -16.879 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.674 7.972 -19.672 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.091 9.280 -17.327 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.879 10.005 -18.909 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.122 7.253 -18.737 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.100 8.642 -18.305 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.296 7.704 -20.186 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.912 8.324 -21.795 1.00 0.00 H new ATOM 258 N PRO A 20 -0.986 9.813 -19.168 1.00 0.00 N ATOM 259 CA PRO A 20 0.206 10.608 -18.931 1.00 0.00 C ATOM 260 C PRO A 20 -0.095 11.785 -18.000 1.00 0.00 C ATOM 261 O PRO A 20 -1.248 12.191 -17.861 1.00 0.00 O ATOM 262 CB PRO A 20 0.668 11.046 -20.311 1.00 0.00 C ATOM 263 CG PRO A 20 -0.533 10.873 -21.227 1.00 0.00 C ATOM 264 CD PRO A 20 -1.560 10.026 -20.493 1.00 0.00 C ATOM 0 HA PRO A 20 0.990 10.048 -18.422 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.004 12.083 -20.299 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.509 10.442 -20.651 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.956 11.843 -21.490 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.236 10.391 -22.159 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.522 10.535 -20.431 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.733 9.080 -21.006 1.00 0.00 H new ATOM 272 N SER A 21 0.961 12.299 -17.387 1.00 0.00 N ATOM 273 CA SER A 21 0.824 13.420 -16.473 1.00 0.00 C ATOM 274 C SER A 21 0.691 14.724 -17.262 1.00 0.00 C ATOM 275 O SER A 21 0.648 14.709 -18.492 1.00 0.00 O ATOM 276 CB SER A 21 2.014 13.499 -15.515 1.00 0.00 C ATOM 277 OG SER A 21 3.104 14.224 -16.076 1.00 0.00 O ATOM 0 H SER A 21 1.916 11.960 -17.505 1.00 0.00 H new ATOM 0 HA SER A 21 -0.077 13.268 -15.878 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.701 13.976 -14.587 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.342 12.491 -15.260 1.00 0.00 H new ATOM 0 HG SER A 21 3.843 14.253 -15.433 1.00 0.00 H new ATOM 283 N LYS A 22 0.629 15.822 -16.523 1.00 0.00 N ATOM 284 CA LYS A 22 0.501 17.132 -17.138 1.00 0.00 C ATOM 285 C LYS A 22 1.543 17.272 -18.251 1.00 0.00 C ATOM 286 O LYS A 22 1.214 17.673 -19.366 1.00 0.00 O ATOM 287 CB LYS A 22 0.583 18.232 -16.078 1.00 0.00 C ATOM 288 CG LYS A 22 -0.303 19.422 -16.453 1.00 0.00 C ATOM 289 CD LYS A 22 0.493 20.475 -17.228 1.00 0.00 C ATOM 290 CE LYS A 22 -0.400 21.651 -17.630 1.00 0.00 C ATOM 291 NZ LYS A 22 0.423 22.800 -18.067 1.00 0.00 N ATOM 0 H LYS A 22 0.665 15.831 -15.504 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.479 17.241 -17.602 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.274 17.834 -15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.616 18.563 -15.971 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.143 19.079 -17.057 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.721 19.868 -15.550 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.320 20.834 -16.616 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.929 20.023 -18.119 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.070 21.348 -18.435 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.027 21.944 -16.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.198 23.589 -18.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.044 23.098 -17.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.002 22.521 -18.884 1.00 0.00 H new ATOM 305 N ASP A 23 2.777 16.933 -17.908 1.00 0.00 N ATOM 306 CA ASP A 23 3.868 17.016 -18.864 1.00 0.00 C ATOM 307 C ASP A 23 3.714 15.905 -19.905 1.00 0.00 C ATOM 308 O ASP A 23 3.462 16.179 -21.077 1.00 0.00 O ATOM 309 CB ASP A 23 5.221 16.832 -18.173 1.00 0.00 C ATOM 310 CG ASP A 23 6.359 17.682 -18.742 1.00 0.00 C ATOM 311 OD1 ASP A 23 6.738 17.417 -19.903 1.00 0.00 O ATOM 312 OD2 ASP A 23 6.823 18.577 -18.003 1.00 0.00 O ATOM 0 H ASP A 23 3.045 16.600 -16.982 1.00 0.00 H new ATOM 0 HA ASP A 23 3.832 18.000 -19.332 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.106 17.067 -17.115 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.505 15.782 -18.237 1.00 0.00 H new ATOM 317 N GLY A 24 3.872 14.675 -19.438 1.00 0.00 N ATOM 318 CA GLY A 24 3.753 13.522 -20.314 1.00 0.00 C ATOM 319 C GLY A 24 4.898 12.535 -20.079 1.00 0.00 C ATOM 320 O GLY A 24 4.721 11.326 -20.225 1.00 0.00 O ATOM 0 H GLY A 24 4.081 14.452 -18.465 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.798 13.025 -20.140 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.757 13.849 -21.354 1.00 0.00 H new ATOM 324 N ASP A 25 6.048 13.086 -19.718 1.00 0.00 N ATOM 325 CA ASP A 25 7.222 12.269 -19.461 1.00 0.00 C ATOM 326 C ASP A 25 6.852 11.144 -18.492 1.00 0.00 C ATOM 327 O ASP A 25 7.342 10.023 -18.621 1.00 0.00 O ATOM 328 CB ASP A 25 8.339 13.096 -18.821 1.00 0.00 C ATOM 329 CG ASP A 25 8.744 14.348 -19.601 1.00 0.00 C ATOM 330 OD1 ASP A 25 7.838 15.164 -19.876 1.00 0.00 O ATOM 331 OD2 ASP A 25 9.952 14.461 -19.905 1.00 0.00 O ATOM 0 H ASP A 25 6.192 14.089 -19.597 1.00 0.00 H new ATOM 0 HA ASP A 25 7.570 11.869 -20.413 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.022 13.395 -17.822 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.217 12.461 -18.700 1.00 0.00 H new ATOM 336 N ARG A 26 5.991 11.482 -17.543 1.00 0.00 N ATOM 337 CA ARG A 26 5.551 10.514 -16.553 1.00 0.00 C ATOM 338 C ARG A 26 4.181 9.950 -16.936 1.00 0.00 C ATOM 339 O ARG A 26 3.315 10.681 -17.414 1.00 0.00 O ATOM 340 CB ARG A 26 5.463 11.148 -15.164 1.00 0.00 C ATOM 341 CG ARG A 26 6.857 11.390 -14.582 1.00 0.00 C ATOM 342 CD ARG A 26 7.292 10.220 -13.697 1.00 0.00 C ATOM 343 NE ARG A 26 8.770 10.165 -13.622 1.00 0.00 N ATOM 344 CZ ARG A 26 9.449 9.556 -12.641 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.789 8.947 -11.647 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.789 9.555 -12.655 1.00 0.00 N ATOM 0 H ARG A 26 5.587 12.413 -17.439 1.00 0.00 H new ATOM 0 HA ARG A 26 6.286 9.709 -16.526 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.922 12.092 -15.225 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.895 10.497 -14.499 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.575 11.525 -15.391 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.857 12.311 -13.999 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.873 10.334 -12.697 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.905 9.284 -14.100 1.00 0.00 H new ATOM 0 HE ARG A 26 9.304 10.619 -14.363 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.769 8.947 -11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.306 8.483 -10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.291 10.018 -13.412 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.306 9.091 -11.908 1.00 0.00 H new ATOM 360 N LEU A 27 4.027 8.653 -16.712 1.00 0.00 N ATOM 361 CA LEU A 27 2.778 7.982 -17.027 1.00 0.00 C ATOM 362 C LEU A 27 2.047 7.637 -15.728 1.00 0.00 C ATOM 363 O LEU A 27 2.503 6.790 -14.961 1.00 0.00 O ATOM 364 CB LEU A 27 3.032 6.772 -17.929 1.00 0.00 C ATOM 365 CG LEU A 27 1.997 6.528 -19.030 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.663 7.192 -18.685 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.528 6.980 -20.391 1.00 0.00 C ATOM 0 H LEU A 27 4.747 8.049 -16.316 1.00 0.00 H new ATOM 0 HA LEU A 27 2.124 8.643 -17.596 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.010 6.891 -18.396 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.084 5.881 -17.303 1.00 0.00 H new ATOM 0 HG LEU A 27 1.815 5.455 -19.096 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.055 7.003 -19.483 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.282 6.780 -17.750 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.809 8.267 -18.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.773 6.796 -21.156 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.757 8.045 -20.357 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.433 6.422 -20.632 1.00 0.00 H new ATOM 379 N ILE A 28 0.925 8.311 -15.520 1.00 0.00 N ATOM 380 CA ILE A 28 0.127 8.086 -14.327 1.00 0.00 C ATOM 381 C ILE A 28 -0.866 6.952 -14.589 1.00 0.00 C ATOM 382 O ILE A 28 -1.436 6.860 -15.675 1.00 0.00 O ATOM 383 CB ILE A 28 -0.533 9.389 -13.871 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.440 10.565 -13.981 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.105 9.249 -12.459 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.773 10.238 -13.307 1.00 0.00 C ATOM 0 H ILE A 28 0.550 9.013 -16.158 1.00 0.00 H new ATOM 0 HA ILE A 28 0.761 7.770 -13.498 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.369 9.600 -14.538 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.608 10.805 -15.031 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.001 11.449 -13.518 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.568 10.189 -12.159 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.852 8.456 -12.446 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.302 9.002 -11.764 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.446 11.090 -13.400 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.604 10.022 -12.252 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.220 9.368 -13.788 1.00 0.00 H new ATOM 398 N GLY A 29 -1.042 6.117 -13.575 1.00 0.00 N ATOM 399 CA GLY A 29 -1.956 4.993 -13.682 1.00 0.00 C ATOM 400 C GLY A 29 -2.805 4.854 -12.417 1.00 0.00 C ATOM 401 O GLY A 29 -2.286 4.934 -11.305 1.00 0.00 O ATOM 0 H GLY A 29 -0.567 6.197 -12.676 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.605 5.129 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.392 4.075 -13.848 1.00 0.00 H new ATOM 405 N ARG A 30 -4.097 4.650 -12.629 1.00 0.00 N ATOM 406 CA ARG A 30 -5.023 4.499 -11.520 1.00 0.00 C ATOM 407 C ARG A 30 -5.726 3.142 -11.595 1.00 0.00 C ATOM 408 O ARG A 30 -6.627 2.951 -12.410 1.00 0.00 O ATOM 409 CB ARG A 30 -6.074 5.611 -11.525 1.00 0.00 C ATOM 410 CG ARG A 30 -6.274 6.184 -10.120 1.00 0.00 C ATOM 411 CD ARG A 30 -6.804 7.617 -10.182 1.00 0.00 C ATOM 412 NE ARG A 30 -6.370 8.370 -8.984 1.00 0.00 N ATOM 413 CZ ARG A 30 -5.175 8.964 -8.862 1.00 0.00 C ATOM 414 NH1 ARG A 30 -4.288 8.897 -9.864 1.00 0.00 N ATOM 415 NH2 ARG A 30 -4.867 9.626 -7.738 1.00 0.00 N ATOM 0 H ARG A 30 -4.524 4.586 -13.553 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.447 4.563 -10.597 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.765 6.405 -12.205 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.020 5.220 -11.900 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.972 5.558 -9.564 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.328 6.165 -9.578 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.439 8.110 -11.083 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.892 7.609 -10.242 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.021 8.441 -8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.522 8.394 -10.720 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.378 9.349 -9.771 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.542 9.678 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.957 10.078 -7.645 1.00 0.00 H new ATOM 429 N ILE A 31 -5.287 2.236 -10.734 1.00 0.00 N ATOM 430 CA ILE A 31 -5.863 0.902 -10.693 1.00 0.00 C ATOM 431 C ILE A 31 -7.002 0.875 -9.673 1.00 0.00 C ATOM 432 O ILE A 31 -7.035 1.689 -8.751 1.00 0.00 O ATOM 433 CB ILE A 31 -4.776 -0.143 -10.430 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.855 -0.292 -11.642 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.391 -1.479 -10.009 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.529 0.439 -11.416 1.00 0.00 C ATOM 0 H ILE A 31 -4.539 2.399 -10.059 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.294 0.643 -11.660 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.161 0.204 -9.600 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.664 -1.348 -11.831 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.348 0.107 -12.529 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.597 -2.204 -9.828 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.971 -1.341 -9.097 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.043 -1.845 -10.802 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.892 0.317 -12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.721 1.499 -11.252 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.028 0.022 -10.543 1.00 0.00 H new ATOM 448 N LEU A 32 -7.910 -0.070 -9.872 1.00 0.00 N ATOM 449 CA LEU A 32 -9.048 -0.214 -8.980 1.00 0.00 C ATOM 450 C LEU A 32 -9.284 -1.699 -8.698 1.00 0.00 C ATOM 451 O LEU A 32 -9.347 -2.508 -9.623 1.00 0.00 O ATOM 452 CB LEU A 32 -10.271 0.505 -9.552 1.00 0.00 C ATOM 453 CG LEU A 32 -11.539 0.455 -8.698 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.403 -0.752 -9.071 1.00 0.00 C ATOM 455 CD2 LEU A 32 -11.198 0.477 -7.207 1.00 0.00 C ATOM 0 H LEU A 32 -7.880 -0.743 -10.638 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.845 0.265 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.009 1.550 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.497 0.075 -10.528 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.127 1.349 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.298 -0.765 -8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.691 -0.683 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.836 -1.669 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.118 0.441 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.578 -0.386 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.655 1.392 -6.972 1.00 0.00 H new ATOM 467 N LEU A 33 -9.409 -2.013 -7.417 1.00 0.00 N ATOM 468 CA LEU A 33 -9.638 -3.387 -7.002 1.00 0.00 C ATOM 469 C LEU A 33 -10.945 -3.465 -6.210 1.00 0.00 C ATOM 470 O LEU A 33 -11.288 -2.537 -5.479 1.00 0.00 O ATOM 471 CB LEU A 33 -8.424 -3.925 -6.241 1.00 0.00 C ATOM 472 CG LEU A 33 -7.160 -4.155 -7.071 1.00 0.00 C ATOM 473 CD1 LEU A 33 -5.911 -4.126 -6.187 1.00 0.00 C ATOM 474 CD2 LEU A 33 -7.262 -5.452 -7.877 1.00 0.00 C ATOM 0 H LEU A 33 -9.356 -1.340 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.753 -4.034 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.185 -3.228 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.703 -4.868 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.067 -3.338 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.026 -4.292 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.835 -3.156 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.981 -4.910 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.351 -5.592 -8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.391 -6.294 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.117 -5.395 -8.551 1.00 0.00 H new ATOM 486 N ASN A 34 -11.638 -4.581 -6.383 1.00 0.00 N ATOM 487 CA ASN A 34 -12.899 -4.793 -5.694 1.00 0.00 C ATOM 488 C ASN A 34 -12.802 -6.058 -4.839 1.00 0.00 C ATOM 489 O ASN A 34 -11.840 -6.816 -4.952 1.00 0.00 O ATOM 490 CB ASN A 34 -14.046 -4.981 -6.689 1.00 0.00 C ATOM 491 CG ASN A 34 -15.402 -4.905 -5.985 1.00 0.00 C ATOM 492 OD1 ASN A 34 -15.617 -4.114 -5.081 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.301 -5.769 -6.447 1.00 0.00 N ATOM 0 H ASN A 34 -11.350 -5.348 -6.991 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.097 -3.917 -5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.990 -4.215 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.945 -5.945 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.237 -5.797 -6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.055 -6.404 -7.207 1.00 0.00 H new ATOM 500 N LYS A 35 -13.812 -6.246 -4.002 1.00 0.00 N ATOM 501 CA LYS A 35 -13.853 -7.407 -3.128 1.00 0.00 C ATOM 502 C LYS A 35 -15.271 -7.979 -3.113 1.00 0.00 C ATOM 503 O LYS A 35 -15.458 -9.187 -3.250 1.00 0.00 O ATOM 504 CB LYS A 35 -13.319 -7.050 -1.739 1.00 0.00 C ATOM 505 CG LYS A 35 -11.935 -6.406 -1.832 1.00 0.00 C ATOM 506 CD LYS A 35 -11.425 -5.998 -0.448 1.00 0.00 C ATOM 507 CE LYS A 35 -10.048 -6.605 -0.170 1.00 0.00 C ATOM 508 NZ LYS A 35 -8.978 -5.699 -0.642 1.00 0.00 N ATOM 0 H LYS A 35 -14.608 -5.615 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.197 -8.191 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.009 -6.367 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.265 -7.949 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.235 -7.105 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.980 -5.530 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.367 -4.911 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.131 -6.325 0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.933 -6.787 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.962 -7.570 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.105 -6.243 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.270 -5.252 -1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.805 -4.964 0.073 1.00 0.00 H new ATOM 522 N ARG A 36 -16.235 -7.085 -2.947 1.00 0.00 N ATOM 523 CA ARG A 36 -17.631 -7.486 -2.913 1.00 0.00 C ATOM 524 C ARG A 36 -17.887 -8.601 -3.928 1.00 0.00 C ATOM 525 O ARG A 36 -17.475 -8.501 -5.083 1.00 0.00 O ATOM 526 CB ARG A 36 -18.551 -6.304 -3.220 1.00 0.00 C ATOM 527 CG ARG A 36 -18.692 -5.387 -2.003 1.00 0.00 C ATOM 528 CD ARG A 36 -19.133 -3.983 -2.422 1.00 0.00 C ATOM 529 NE ARG A 36 -20.361 -3.599 -1.691 1.00 0.00 N ATOM 530 CZ ARG A 36 -21.600 -3.931 -2.077 1.00 0.00 C ATOM 531 NH1 ARG A 36 -21.783 -4.656 -3.189 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.656 -3.539 -1.352 1.00 0.00 N ATOM 0 H ARG A 36 -16.076 -6.084 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.848 -7.848 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.153 -5.738 -4.062 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.533 -6.671 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.419 -5.808 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.741 -5.330 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.338 -3.266 -2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.316 -3.956 -3.496 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.257 -3.047 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.979 -4.955 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -22.726 -4.909 -3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.517 -2.987 -0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.599 -3.792 -1.647 1.00 0.00 H new ATOM 546 N LEU A 37 -18.567 -9.638 -3.461 1.00 0.00 N ATOM 547 CA LEU A 37 -18.884 -10.771 -4.315 1.00 0.00 C ATOM 548 C LEU A 37 -19.939 -10.352 -5.340 1.00 0.00 C ATOM 549 O LEU A 37 -20.277 -9.174 -5.443 1.00 0.00 O ATOM 550 CB LEU A 37 -19.292 -11.980 -3.470 1.00 0.00 C ATOM 551 CG LEU A 37 -18.243 -12.493 -2.482 1.00 0.00 C ATOM 552 CD1 LEU A 37 -18.898 -12.959 -1.180 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.382 -13.588 -3.115 1.00 0.00 C ATOM 0 H LEU A 37 -18.907 -9.718 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.003 -11.085 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.192 -11.721 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.558 -12.795 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.578 -11.667 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.130 -13.319 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.431 -12.126 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.600 -13.765 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.645 -13.935 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.017 -14.422 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.871 -13.188 -3.991 1.00 0.00 H new ATOM 565 N LYS A 38 -20.431 -11.341 -6.073 1.00 0.00 N ATOM 566 CA LYS A 38 -21.441 -11.089 -7.087 1.00 0.00 C ATOM 567 C LYS A 38 -22.693 -10.516 -6.421 1.00 0.00 C ATOM 568 O LYS A 38 -23.350 -9.638 -6.979 1.00 0.00 O ATOM 569 CB LYS A 38 -21.704 -12.355 -7.906 1.00 0.00 C ATOM 570 CG LYS A 38 -21.648 -12.059 -9.406 1.00 0.00 C ATOM 571 CD LYS A 38 -20.371 -12.625 -10.029 1.00 0.00 C ATOM 572 CE LYS A 38 -20.423 -12.545 -11.556 1.00 0.00 C ATOM 573 NZ LYS A 38 -19.178 -11.948 -12.087 1.00 0.00 N ATOM 0 H LYS A 38 -20.149 -12.317 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.089 -10.343 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.965 -13.116 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.682 -12.763 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.519 -12.491 -9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.690 -10.982 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.507 -12.072 -9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.240 -13.662 -9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.562 -13.542 -11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.280 -11.948 -11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.230 -11.901 -13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.062 -10.989 -11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.365 -12.534 -11.807 1.00 0.00 H new ATOM 587 N ASP A 39 -22.987 -11.035 -5.238 1.00 0.00 N ATOM 588 CA ASP A 39 -24.149 -10.586 -4.491 1.00 0.00 C ATOM 589 C ASP A 39 -23.990 -9.102 -4.153 1.00 0.00 C ATOM 590 O ASP A 39 -24.939 -8.328 -4.277 1.00 0.00 O ATOM 591 CB ASP A 39 -24.292 -11.357 -3.178 1.00 0.00 C ATOM 592 CG ASP A 39 -25.460 -12.344 -3.131 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.215 -12.377 -4.126 1.00 0.00 O ATOM 594 OD2 ASP A 39 -25.570 -13.043 -2.101 1.00 0.00 O ATOM 0 H ASP A 39 -22.440 -11.763 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.032 -10.757 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.367 -11.903 -2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.408 -10.641 -2.365 1.00 0.00 H new ATOM 599 N GLY A 40 -22.784 -8.749 -3.734 1.00 0.00 N ATOM 600 CA GLY A 40 -22.489 -7.372 -3.377 1.00 0.00 C ATOM 601 C GLY A 40 -22.151 -7.251 -1.890 1.00 0.00 C ATOM 602 O GLY A 40 -22.778 -6.477 -1.168 1.00 0.00 O ATOM 0 H GLY A 40 -21.999 -9.393 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.653 -7.009 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.346 -6.740 -3.611 1.00 0.00 H new ATOM 606 N SER A 41 -21.161 -8.028 -1.476 1.00 0.00 N ATOM 607 CA SER A 41 -20.732 -8.017 -0.087 1.00 0.00 C ATOM 608 C SER A 41 -19.363 -8.688 0.043 1.00 0.00 C ATOM 609 O SER A 41 -19.100 -9.700 -0.606 1.00 0.00 O ATOM 610 CB SER A 41 -21.754 -8.718 0.810 1.00 0.00 C ATOM 611 OG SER A 41 -23.088 -8.307 0.522 1.00 0.00 O ATOM 0 H SER A 41 -20.644 -8.669 -2.077 1.00 0.00 H new ATOM 0 HA SER A 41 -20.654 -6.980 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.671 -9.797 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.526 -8.505 1.854 1.00 0.00 H new ATOM 0 HG SER A 41 -23.082 -7.385 0.191 1.00 0.00 H new ATOM 617 N VAL A 42 -18.528 -8.098 0.885 1.00 0.00 N ATOM 618 CA VAL A 42 -17.193 -8.626 1.108 1.00 0.00 C ATOM 619 C VAL A 42 -17.283 -9.874 1.989 1.00 0.00 C ATOM 620 O VAL A 42 -17.874 -9.836 3.067 1.00 0.00 O ATOM 621 CB VAL A 42 -16.293 -7.540 1.701 1.00 0.00 C ATOM 622 CG1 VAL A 42 -14.967 -8.131 2.185 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.055 -6.414 0.693 1.00 0.00 C ATOM 0 H VAL A 42 -18.750 -7.259 1.421 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.739 -8.926 0.164 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.806 -7.115 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.346 -7.338 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.161 -8.881 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.448 -8.595 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.412 -5.655 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.574 -6.818 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.009 -5.965 0.417 1.00 0.00 H new ATOM 633 N PRO A 43 -16.674 -10.980 1.483 1.00 0.00 N ATOM 634 CA PRO A 43 -16.680 -12.237 2.212 1.00 0.00 C ATOM 635 C PRO A 43 -15.703 -12.193 3.389 1.00 0.00 C ATOM 636 O PRO A 43 -15.011 -11.196 3.590 1.00 0.00 O ATOM 637 CB PRO A 43 -16.319 -13.292 1.179 1.00 0.00 C ATOM 638 CG PRO A 43 -15.673 -12.542 0.026 1.00 0.00 C ATOM 639 CD PRO A 43 -15.965 -11.062 0.210 1.00 0.00 C ATOM 0 HA PRO A 43 -17.647 -12.456 2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.635 -14.030 1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -17.205 -13.832 0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.598 -12.720 0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -16.068 -12.893 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.046 -10.477 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.572 -10.674 -0.607 1.00 0.00 H new ATOM 647 N ARG A 44 -15.677 -13.288 4.135 1.00 0.00 N ATOM 648 CA ARG A 44 -14.796 -13.387 5.287 1.00 0.00 C ATOM 649 C ARG A 44 -13.402 -12.864 4.935 1.00 0.00 C ATOM 650 O ARG A 44 -12.682 -12.372 5.803 1.00 0.00 O ATOM 651 CB ARG A 44 -14.683 -14.834 5.770 1.00 0.00 C ATOM 652 CG ARG A 44 -15.978 -15.289 6.446 1.00 0.00 C ATOM 653 CD ARG A 44 -15.839 -15.268 7.969 1.00 0.00 C ATOM 654 NE ARG A 44 -17.153 -15.521 8.601 1.00 0.00 N ATOM 655 CZ ARG A 44 -17.439 -15.240 9.879 1.00 0.00 C ATOM 656 NH1 ARG A 44 -16.505 -14.693 10.670 1.00 0.00 N ATOM 657 NH2 ARG A 44 -18.659 -15.504 10.367 1.00 0.00 N ATOM 0 H ARG A 44 -16.251 -14.114 3.964 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.224 -12.781 6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.461 -15.487 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.852 -14.924 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.798 -14.638 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.231 -16.296 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.122 -16.024 8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.450 -14.303 8.294 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.887 -15.936 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.577 -14.491 10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.723 -14.479 11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.370 -15.919 9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.876 -15.290 11.340 1.00 0.00 H new ATOM 671 N ASP A 45 -13.062 -12.987 3.660 1.00 0.00 N ATOM 672 CA ASP A 45 -11.767 -12.532 3.183 1.00 0.00 C ATOM 673 C ASP A 45 -11.602 -12.928 1.715 1.00 0.00 C ATOM 674 O ASP A 45 -11.224 -14.059 1.412 1.00 0.00 O ATOM 675 CB ASP A 45 -10.630 -13.178 3.978 1.00 0.00 C ATOM 676 CG ASP A 45 -10.987 -14.499 4.661 1.00 0.00 C ATOM 677 OD1 ASP A 45 -11.103 -15.504 3.926 1.00 0.00 O ATOM 678 OD2 ASP A 45 -11.136 -14.475 5.901 1.00 0.00 O ATOM 0 H ASP A 45 -13.661 -13.395 2.943 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.723 -11.450 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.789 -13.350 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.292 -12.473 4.738 1.00 0.00 H new ATOM 683 N SER A 46 -11.892 -11.975 0.842 1.00 0.00 N ATOM 684 CA SER A 46 -11.781 -12.210 -0.588 1.00 0.00 C ATOM 685 C SER A 46 -10.307 -12.248 -0.998 1.00 0.00 C ATOM 686 O SER A 46 -9.811 -13.280 -1.449 1.00 0.00 O ATOM 687 CB SER A 46 -12.526 -11.136 -1.383 1.00 0.00 C ATOM 688 OG SER A 46 -12.508 -11.399 -2.783 1.00 0.00 O ATOM 0 H SER A 46 -12.204 -11.038 1.097 1.00 0.00 H new ATOM 0 HA SER A 46 -12.240 -13.173 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.558 -11.080 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.073 -10.163 -1.191 1.00 0.00 H new ATOM 0 HG SER A 46 -12.995 -10.692 -3.255 1.00 0.00 H new ATOM 694 N GLY A 47 -9.649 -11.111 -0.828 1.00 0.00 N ATOM 695 CA GLY A 47 -8.242 -11.001 -1.175 1.00 0.00 C ATOM 696 C GLY A 47 -7.584 -9.835 -0.435 1.00 0.00 C ATOM 697 O GLY A 47 -7.545 -8.715 -0.942 1.00 0.00 O ATOM 0 H GLY A 47 -10.064 -10.257 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.729 -11.930 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.139 -10.858 -2.251 1.00 0.00 H new ATOM 701 N ALA A 48 -7.084 -10.138 0.754 1.00 0.00 N ATOM 702 CA ALA A 48 -6.430 -9.129 1.570 1.00 0.00 C ATOM 703 C ALA A 48 -5.316 -8.466 0.757 1.00 0.00 C ATOM 704 O ALA A 48 -5.345 -7.257 0.529 1.00 0.00 O ATOM 705 CB ALA A 48 -5.909 -9.772 2.857 1.00 0.00 C ATOM 0 H ALA A 48 -7.119 -11.068 1.172 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.137 -8.351 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.418 -9.015 3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.742 -10.203 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.194 -10.557 2.608 1.00 0.00 H new ATOM 711 N MET A 49 -4.362 -9.285 0.342 1.00 0.00 N ATOM 712 CA MET A 49 -3.241 -8.793 -0.441 1.00 0.00 C ATOM 713 C MET A 49 -3.589 -8.750 -1.930 1.00 0.00 C ATOM 714 O MET A 49 -2.735 -8.447 -2.763 1.00 0.00 O ATOM 715 CB MET A 49 -2.029 -9.703 -0.226 1.00 0.00 C ATOM 716 CG MET A 49 -0.971 -9.011 0.636 1.00 0.00 C ATOM 717 SD MET A 49 0.522 -8.766 -0.311 1.00 0.00 S ATOM 718 CE MET A 49 0.657 -6.988 -0.223 1.00 0.00 C ATOM 0 H MET A 49 -4.342 -10.287 0.533 1.00 0.00 H new ATOM 0 HA MET A 49 -3.009 -7.780 -0.112 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.345 -10.629 0.254 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.598 -9.974 -1.190 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.349 -8.052 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.757 -9.614 1.518 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.384 -6.554 -1.185 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.014 -6.610 0.548 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.683 -6.713 0.022 1.00 0.00 H new ATOM 728 N LEU A 50 -4.844 -9.058 -2.221 1.00 0.00 N ATOM 729 CA LEU A 50 -5.316 -9.059 -3.595 1.00 0.00 C ATOM 730 C LEU A 50 -4.659 -10.213 -4.355 1.00 0.00 C ATOM 731 O LEU A 50 -5.345 -11.111 -4.841 1.00 0.00 O ATOM 732 CB LEU A 50 -5.089 -7.690 -4.240 1.00 0.00 C ATOM 733 CG LEU A 50 -5.907 -6.532 -3.663 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.404 -6.753 -3.890 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.577 -6.311 -2.186 1.00 0.00 C ATOM 0 H LEU A 50 -5.549 -9.309 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.392 -9.227 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.032 -7.440 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.311 -7.771 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.632 -5.620 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.963 -5.916 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.603 -6.823 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.714 -7.677 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.172 -5.483 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.806 -7.216 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.518 -6.077 -2.081 1.00 0.00 H new ATOM 747 N GLY A 51 -3.338 -10.151 -4.434 1.00 0.00 N ATOM 748 CA GLY A 51 -2.581 -11.180 -5.126 1.00 0.00 C ATOM 749 C GLY A 51 -1.116 -10.767 -5.289 1.00 0.00 C ATOM 750 O GLY A 51 -0.228 -11.617 -5.319 1.00 0.00 O ATOM 0 H GLY A 51 -2.773 -9.404 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.639 -12.115 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.022 -11.364 -6.106 1.00 0.00 H new ATOM 754 N LEU A 52 -0.910 -9.462 -5.390 1.00 0.00 N ATOM 755 CA LEU A 52 0.431 -8.926 -5.550 1.00 0.00 C ATOM 756 C LEU A 52 0.975 -8.512 -4.181 1.00 0.00 C ATOM 757 O LEU A 52 0.229 -8.450 -3.205 1.00 0.00 O ATOM 758 CB LEU A 52 0.438 -7.797 -6.582 1.00 0.00 C ATOM 759 CG LEU A 52 0.159 -6.393 -6.042 1.00 0.00 C ATOM 760 CD1 LEU A 52 -1.106 -6.378 -5.181 1.00 0.00 C ATOM 761 CD2 LEU A 52 1.372 -5.844 -5.289 1.00 0.00 C ATOM 0 H LEU A 52 -1.650 -8.760 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 52 1.102 -9.689 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.410 -7.788 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.305 -8.025 -7.346 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.020 -5.731 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.281 -5.368 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.958 -6.697 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.981 -7.058 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.147 -4.845 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.608 -6.500 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.227 -5.795 -5.963 1.00 0.00 H new ATOM 773 N LYS A 53 2.271 -8.238 -4.154 1.00 0.00 N ATOM 774 CA LYS A 53 2.924 -7.831 -2.921 1.00 0.00 C ATOM 775 C LYS A 53 3.539 -6.443 -3.109 1.00 0.00 C ATOM 776 O LYS A 53 4.128 -6.157 -4.150 1.00 0.00 O ATOM 777 CB LYS A 53 3.930 -8.893 -2.471 1.00 0.00 C ATOM 778 CG LYS A 53 3.918 -9.050 -0.950 1.00 0.00 C ATOM 779 CD LYS A 53 5.295 -8.745 -0.357 1.00 0.00 C ATOM 780 CE LYS A 53 5.168 -7.967 0.954 1.00 0.00 C ATOM 781 NZ LYS A 53 4.922 -8.891 2.084 1.00 0.00 N ATOM 0 H LYS A 53 2.886 -8.290 -4.966 1.00 0.00 H new ATOM 0 HA LYS A 53 2.196 -7.752 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.691 -9.847 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.930 -8.616 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.175 -8.380 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.622 -10.066 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.833 -9.676 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.882 -8.168 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.079 -7.397 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.352 -7.249 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.838 -8.346 2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.040 -9.417 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.714 -9.560 2.164 1.00 0.00 H new ATOM 795 N VAL A 54 3.381 -5.617 -2.085 1.00 0.00 N ATOM 796 CA VAL A 54 3.913 -4.266 -2.124 1.00 0.00 C ATOM 797 C VAL A 54 5.015 -4.125 -1.073 1.00 0.00 C ATOM 798 O VAL A 54 4.941 -4.734 -0.006 1.00 0.00 O ATOM 799 CB VAL A 54 2.781 -3.252 -1.943 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.330 -1.826 -1.859 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.749 -3.377 -3.066 1.00 0.00 C ATOM 0 H VAL A 54 2.892 -5.858 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 54 4.363 -4.061 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 54 2.280 -3.474 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.505 -1.125 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.009 -1.747 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.868 -1.589 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.955 -2.646 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.232 -3.194 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.324 -4.381 -3.059 1.00 0.00 H new ATOM 811 N VAL A 55 6.011 -3.319 -1.409 1.00 0.00 N ATOM 812 CA VAL A 55 7.127 -3.091 -0.507 1.00 0.00 C ATOM 813 C VAL A 55 7.355 -1.586 -0.355 1.00 0.00 C ATOM 814 O VAL A 55 7.751 -0.915 -1.307 1.00 0.00 O ATOM 815 CB VAL A 55 8.366 -3.836 -1.008 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.646 -3.195 -0.468 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.298 -5.320 -0.643 1.00 0.00 C ATOM 0 H VAL A 55 6.069 -2.815 -2.294 1.00 0.00 H new ATOM 0 HA VAL A 55 6.904 -3.488 0.484 1.00 0.00 H new ATOM 0 HB VAL A 55 8.387 -3.760 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.512 -3.743 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.703 -2.159 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.637 -3.226 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.190 -5.826 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.241 -5.426 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.414 -5.767 -1.098 1.00 0.00 H new ATOM 827 N GLY A 56 7.095 -1.099 0.849 1.00 0.00 N ATOM 828 CA GLY A 56 7.267 0.315 1.138 1.00 0.00 C ATOM 829 C GLY A 56 8.534 0.557 1.960 1.00 0.00 C ATOM 830 O GLY A 56 9.387 -0.324 2.066 1.00 0.00 O ATOM 0 H GLY A 56 6.766 -1.658 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.322 0.876 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.399 0.686 1.683 1.00 0.00 H new ATOM 834 N GLY A 57 8.619 1.754 2.520 1.00 0.00 N ATOM 835 CA GLY A 57 9.768 2.123 3.329 1.00 0.00 C ATOM 836 C GLY A 57 11.072 1.911 2.558 1.00 0.00 C ATOM 837 O GLY A 57 12.146 1.838 3.154 1.00 0.00 O ATOM 0 H GLY A 57 7.910 2.482 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.685 3.167 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.780 1.528 4.242 1.00 0.00 H new ATOM 841 N LYS A 58 10.936 1.817 1.243 1.00 0.00 N ATOM 842 CA LYS A 58 12.091 1.615 0.384 1.00 0.00 C ATOM 843 C LYS A 58 12.864 2.929 0.259 1.00 0.00 C ATOM 844 O LYS A 58 12.293 3.958 -0.098 1.00 0.00 O ATOM 845 CB LYS A 58 11.661 1.024 -0.960 1.00 0.00 C ATOM 846 CG LYS A 58 12.781 0.179 -1.571 1.00 0.00 C ATOM 847 CD LYS A 58 12.955 0.491 -3.058 1.00 0.00 C ATOM 848 CE LYS A 58 12.547 -0.705 -3.921 1.00 0.00 C ATOM 849 NZ LYS A 58 12.857 -0.447 -5.345 1.00 0.00 N ATOM 0 H LYS A 58 10.044 1.877 0.752 1.00 0.00 H new ATOM 0 HA LYS A 58 12.771 0.886 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.771 0.410 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.392 1.828 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.715 0.371 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.554 -0.879 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.351 1.359 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.994 0.752 -3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.072 -1.599 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.481 -0.898 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.574 -1.269 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.337 0.394 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.879 -0.285 -5.454 1.00 0.00 H new ATOM 863 N MET A 59 14.152 2.851 0.561 1.00 0.00 N ATOM 864 CA MET A 59 15.010 4.022 0.486 1.00 0.00 C ATOM 865 C MET A 59 15.396 4.328 -0.962 1.00 0.00 C ATOM 866 O MET A 59 16.081 3.535 -1.607 1.00 0.00 O ATOM 867 CB MET A 59 16.275 3.781 1.312 1.00 0.00 C ATOM 868 CG MET A 59 16.277 4.642 2.577 1.00 0.00 C ATOM 869 SD MET A 59 16.673 6.333 2.163 1.00 0.00 S ATOM 870 CE MET A 59 15.231 7.158 2.816 1.00 0.00 C ATOM 0 H MET A 59 14.622 1.996 0.858 1.00 0.00 H new ATOM 0 HA MET A 59 14.462 4.876 0.884 1.00 0.00 H new ATOM 0 HB2 MET A 59 16.340 2.728 1.585 1.00 0.00 H new ATOM 0 HB3 MET A 59 17.155 4.010 0.711 1.00 0.00 H new ATOM 0 HG2 MET A 59 15.301 4.596 3.060 1.00 0.00 H new ATOM 0 HG3 MET A 59 17.004 4.254 3.290 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.578 7.453 1.995 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.695 6.481 3.481 1.00 0.00 H new ATOM 0 HE3 MET A 59 15.539 8.044 3.371 1.00 0.00 H new ATOM 880 N THR A 60 14.940 5.479 -1.432 1.00 0.00 N ATOM 881 CA THR A 60 15.229 5.900 -2.793 1.00 0.00 C ATOM 882 C THR A 60 16.569 6.635 -2.850 1.00 0.00 C ATOM 883 O THR A 60 17.340 6.604 -1.892 1.00 0.00 O ATOM 884 CB THR A 60 14.051 6.743 -3.287 1.00 0.00 C ATOM 885 OG1 THR A 60 14.125 7.933 -2.507 1.00 0.00 O ATOM 886 CG2 THR A 60 12.698 6.135 -2.913 1.00 0.00 C ATOM 0 H THR A 60 14.372 6.134 -0.895 1.00 0.00 H new ATOM 0 HA THR A 60 15.336 5.043 -3.458 1.00 0.00 H new ATOM 0 HB THR A 60 14.112 6.853 -4.370 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.398 8.538 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.897 6.772 -3.287 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.610 5.143 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.622 6.056 -1.829 1.00 0.00 H new ATOM 894 N GLU A 61 16.806 7.280 -3.983 1.00 0.00 N ATOM 895 CA GLU A 61 18.039 8.022 -4.178 1.00 0.00 C ATOM 896 C GLU A 61 17.868 9.469 -3.710 1.00 0.00 C ATOM 897 O GLU A 61 18.766 10.291 -3.884 1.00 0.00 O ATOM 898 CB GLU A 61 18.487 7.968 -5.641 1.00 0.00 C ATOM 899 CG GLU A 61 17.315 8.254 -6.583 1.00 0.00 C ATOM 900 CD GLU A 61 17.801 8.907 -7.878 1.00 0.00 C ATOM 901 OE1 GLU A 61 17.922 10.151 -7.875 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.039 8.148 -8.842 1.00 0.00 O ATOM 0 H GLU A 61 16.164 7.304 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 61 18.819 7.556 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.280 8.696 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.904 6.986 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.793 7.325 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.597 8.908 -6.088 1.00 0.00 H new ATOM 909 N SER A 62 16.709 9.735 -3.127 1.00 0.00 N ATOM 910 CA SER A 62 16.409 11.068 -2.632 1.00 0.00 C ATOM 911 C SER A 62 16.269 11.042 -1.109 1.00 0.00 C ATOM 912 O SER A 62 15.842 12.025 -0.505 1.00 0.00 O ATOM 913 CB SER A 62 15.133 11.619 -3.273 1.00 0.00 C ATOM 914 OG SER A 62 15.282 12.978 -3.675 1.00 0.00 O ATOM 0 H SER A 62 15.966 9.050 -2.986 1.00 0.00 H new ATOM 0 HA SER A 62 17.234 11.727 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.871 11.011 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.308 11.539 -2.565 1.00 0.00 H new ATOM 0 HG SER A 62 14.447 13.293 -4.081 1.00 0.00 H new ATOM 920 N GLY A 63 16.638 9.908 -0.532 1.00 0.00 N ATOM 921 CA GLY A 63 16.559 9.741 0.909 1.00 0.00 C ATOM 922 C GLY A 63 15.103 9.705 1.378 1.00 0.00 C ATOM 923 O GLY A 63 14.818 9.947 2.550 1.00 0.00 O ATOM 0 H GLY A 63 16.993 9.096 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.061 8.818 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.084 10.559 1.403 1.00 0.00 H new ATOM 927 N ARG A 64 14.219 9.402 0.439 1.00 0.00 N ATOM 928 CA ARG A 64 12.800 9.331 0.741 1.00 0.00 C ATOM 929 C ARG A 64 12.319 7.879 0.695 1.00 0.00 C ATOM 930 O ARG A 64 13.080 6.981 0.339 1.00 0.00 O ATOM 931 CB ARG A 64 11.984 10.163 -0.250 1.00 0.00 C ATOM 932 CG ARG A 64 11.610 11.520 0.350 1.00 0.00 C ATOM 933 CD ARG A 64 10.590 12.246 -0.529 1.00 0.00 C ATOM 934 NE ARG A 64 11.216 13.429 -1.160 1.00 0.00 N ATOM 935 CZ ARG A 64 10.556 14.314 -1.919 1.00 0.00 C ATOM 936 NH1 ARG A 64 9.245 14.155 -2.146 1.00 0.00 N ATOM 937 NH2 ARG A 64 11.206 15.358 -2.450 1.00 0.00 N ATOM 0 H ARG A 64 14.459 9.203 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 64 12.654 9.734 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.558 10.312 -1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.079 9.622 -0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.199 11.379 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.505 12.133 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.214 11.570 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.734 12.554 0.072 1.00 0.00 H new ATOM 0 HE ARG A 64 12.213 13.580 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.750 13.360 -1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.742 14.829 -2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.204 15.479 -2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.703 16.032 -3.028 1.00 0.00 H new ATOM 951 N LEU A 65 11.059 7.695 1.060 1.00 0.00 N ATOM 952 CA LEU A 65 10.468 6.368 1.065 1.00 0.00 C ATOM 953 C LEU A 65 9.389 6.290 -0.017 1.00 0.00 C ATOM 954 O LEU A 65 8.657 7.254 -0.239 1.00 0.00 O ATOM 955 CB LEU A 65 9.961 6.012 2.465 1.00 0.00 C ATOM 956 CG LEU A 65 10.998 6.070 3.588 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.324 5.999 4.960 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.058 4.982 3.413 1.00 0.00 C ATOM 0 H LEU A 65 10.431 8.443 1.354 1.00 0.00 H new ATOM 0 HA LEU A 65 11.219 5.616 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.144 6.688 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.544 5.005 2.434 1.00 0.00 H new ATOM 0 HG LEU A 65 11.511 7.030 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.083 6.042 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.639 6.839 5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.769 5.065 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.783 5.046 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.580 4.002 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.568 5.121 2.460 1.00 0.00 H new ATOM 970 N CYS A 66 9.326 5.135 -0.663 1.00 0.00 N ATOM 971 CA CYS A 66 8.349 4.919 -1.717 1.00 0.00 C ATOM 972 C CYS A 66 8.037 3.423 -1.784 1.00 0.00 C ATOM 973 O CYS A 66 8.868 2.595 -1.414 1.00 0.00 O ATOM 974 CB CYS A 66 8.839 5.461 -3.061 1.00 0.00 C ATOM 975 SG CYS A 66 8.838 7.291 -3.037 1.00 0.00 S ATOM 0 H CYS A 66 9.936 4.339 -0.477 1.00 0.00 H new ATOM 0 HA CYS A 66 7.436 5.469 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 66 9.844 5.093 -3.266 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.197 5.099 -3.864 1.00 0.00 H new ATOM 0 HG CYS A 66 8.757 7.709 -1.809 1.00 0.00 H new ATOM 981 N ALA A 67 6.837 3.122 -2.258 1.00 0.00 N ATOM 982 CA ALA A 67 6.405 1.740 -2.378 1.00 0.00 C ATOM 983 C ALA A 67 6.484 1.311 -3.845 1.00 0.00 C ATOM 984 O ALA A 67 6.343 2.137 -4.745 1.00 0.00 O ATOM 985 CB ALA A 67 4.995 1.594 -1.803 1.00 0.00 C ATOM 0 H ALA A 67 6.150 3.812 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 67 7.060 1.082 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.671 0.557 -1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.999 1.883 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.309 2.238 -2.354 1.00 0.00 H new ATOM 991 N PHE A 68 6.708 0.020 -4.039 1.00 0.00 N ATOM 992 CA PHE A 68 6.808 -0.528 -5.381 1.00 0.00 C ATOM 993 C PHE A 68 6.343 -1.986 -5.414 1.00 0.00 C ATOM 994 O PHE A 68 6.555 -2.730 -4.458 1.00 0.00 O ATOM 995 CB PHE A 68 8.283 -0.467 -5.782 1.00 0.00 C ATOM 996 CG PHE A 68 8.899 0.929 -5.674 1.00 0.00 C ATOM 997 CD1 PHE A 68 8.617 1.871 -6.614 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.729 1.229 -4.639 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.189 3.167 -6.514 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.301 2.524 -4.539 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.019 3.466 -5.479 1.00 0.00 C ATOM 0 H PHE A 68 6.823 -0.662 -3.290 1.00 0.00 H new ATOM 0 HA PHE A 68 6.178 0.043 -6.063 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.849 -1.153 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.385 -0.820 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.958 1.633 -7.436 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.953 0.481 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.965 3.915 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.960 2.761 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.454 4.451 -5.403 1.00 0.00 H new ATOM 1011 N ILE A 69 5.717 -2.349 -6.524 1.00 0.00 N ATOM 1012 CA ILE A 69 5.221 -3.704 -6.693 1.00 0.00 C ATOM 1013 C ILE A 69 6.405 -4.667 -6.803 1.00 0.00 C ATOM 1014 O ILE A 69 7.333 -4.429 -7.574 1.00 0.00 O ATOM 1015 CB ILE A 69 4.257 -3.777 -7.879 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.022 -2.908 -7.637 1.00 0.00 C ATOM 1017 CG2 ILE A 69 3.884 -5.227 -8.195 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.165 -2.807 -8.900 1.00 0.00 C ATOM 0 H ILE A 69 5.542 -1.729 -7.315 1.00 0.00 H new ATOM 0 HA ILE A 69 4.642 -4.009 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 69 4.765 -3.377 -8.756 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.430 -3.330 -6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.331 -1.911 -7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.198 -5.250 -9.042 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.785 -5.789 -8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.403 -5.677 -7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.294 -2.184 -8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.752 -2.362 -9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.838 -3.803 -9.198 1.00 0.00 H new ATOM 1030 N THR A 70 6.334 -5.733 -6.020 1.00 0.00 N ATOM 1031 CA THR A 70 7.389 -6.733 -6.019 1.00 0.00 C ATOM 1032 C THR A 70 6.993 -7.926 -6.891 1.00 0.00 C ATOM 1033 O THR A 70 7.753 -8.339 -7.766 1.00 0.00 O ATOM 1034 CB THR A 70 7.680 -7.112 -4.566 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.569 -7.922 -4.190 1.00 0.00 O ATOM 1036 CG2 THR A 70 7.603 -5.912 -3.621 1.00 0.00 C ATOM 0 H THR A 70 5.562 -5.927 -5.382 1.00 0.00 H new ATOM 0 HA THR A 70 8.307 -6.341 -6.457 1.00 0.00 H new ATOM 0 HB THR A 70 8.670 -7.563 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.763 -7.367 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.818 -6.236 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.334 -5.162 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.603 -5.481 -3.661 1.00 0.00 H new ATOM 1044 N LYS A 71 5.804 -8.446 -6.623 1.00 0.00 N ATOM 1045 CA LYS A 71 5.299 -9.583 -7.372 1.00 0.00 C ATOM 1046 C LYS A 71 3.775 -9.488 -7.469 1.00 0.00 C ATOM 1047 O LYS A 71 3.116 -9.041 -6.531 1.00 0.00 O ATOM 1048 CB LYS A 71 5.795 -10.893 -6.758 1.00 0.00 C ATOM 1049 CG LYS A 71 5.332 -12.096 -7.582 1.00 0.00 C ATOM 1050 CD LYS A 71 6.471 -13.098 -7.779 1.00 0.00 C ATOM 1051 CE LYS A 71 6.261 -13.925 -9.049 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.562 -14.291 -9.651 1.00 0.00 N ATOM 0 H LYS A 71 5.176 -8.100 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 71 5.686 -9.569 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.884 -10.883 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.425 -10.983 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.496 -12.584 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.968 -11.758 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.421 -12.567 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.531 -13.760 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.696 -14.827 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.669 -13.357 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.401 -14.852 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.087 -13.427 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.114 -14.852 -8.971 1.00 0.00 H new ATOM 1066 N VAL A 72 3.259 -9.916 -8.612 1.00 0.00 N ATOM 1067 CA VAL A 72 1.824 -9.884 -8.844 1.00 0.00 C ATOM 1068 C VAL A 72 1.384 -11.209 -9.470 1.00 0.00 C ATOM 1069 O VAL A 72 1.735 -11.507 -10.611 1.00 0.00 O ATOM 1070 CB VAL A 72 1.459 -8.668 -9.698 1.00 0.00 C ATOM 1071 CG1 VAL A 72 2.673 -8.161 -10.477 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.297 -8.989 -10.640 1.00 0.00 C ATOM 0 H VAL A 72 3.808 -10.287 -9.387 1.00 0.00 H new ATOM 0 HA VAL A 72 1.287 -9.775 -7.902 1.00 0.00 H new ATOM 0 HB VAL A 72 1.136 -7.872 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.386 -7.297 -11.076 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.459 -7.874 -9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.040 -8.951 -11.133 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.057 -8.108 -11.236 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.580 -9.808 -11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.576 -9.280 -10.055 1.00 0.00 H new ATOM 1082 N LYS A 73 0.622 -11.968 -8.697 1.00 0.00 N ATOM 1083 CA LYS A 73 0.130 -13.253 -9.162 1.00 0.00 C ATOM 1084 C LYS A 73 -0.598 -13.065 -10.494 1.00 0.00 C ATOM 1085 O LYS A 73 -1.339 -12.098 -10.669 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.725 -13.922 -8.083 1.00 0.00 C ATOM 1087 CG LYS A 73 -1.045 -15.371 -8.456 1.00 0.00 C ATOM 1088 CD LYS A 73 0.187 -16.263 -8.294 1.00 0.00 C ATOM 1089 CE LYS A 73 -0.089 -17.678 -8.807 1.00 0.00 C ATOM 1090 NZ LYS A 73 -0.496 -18.563 -7.693 1.00 0.00 N ATOM 0 H LYS A 73 0.333 -11.718 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 73 0.961 -13.934 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.198 -13.896 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.652 -13.364 -7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.853 -15.743 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.398 -15.416 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.027 -15.832 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.476 -16.303 -7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.874 -17.650 -9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.804 -18.077 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.679 -19.519 -8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.265 -18.603 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.360 -18.190 -7.251 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.362 -14.003 -11.399 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.986 -13.952 -12.710 1.00 0.00 C ATOM 1106 C LYS A 74 -2.313 -14.713 -12.669 1.00 0.00 C ATOM 1107 O LYS A 74 -2.328 -15.943 -12.682 1.00 0.00 O ATOM 1108 CB LYS A 74 -0.020 -14.459 -13.783 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.551 -14.157 -15.186 1.00 0.00 C ATOM 1110 CD LYS A 74 0.365 -13.176 -15.920 1.00 0.00 C ATOM 1111 CE LYS A 74 1.523 -13.910 -16.599 1.00 0.00 C ATOM 1112 NZ LYS A 74 2.039 -13.121 -17.739 1.00 0.00 N ATOM 0 H LYS A 74 0.253 -14.803 -11.250 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.217 -12.922 -12.982 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.955 -13.990 -13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.125 -15.533 -13.669 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.629 -15.083 -15.756 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.555 -13.740 -15.116 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.209 -12.626 -16.666 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.758 -12.443 -15.215 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.322 -14.085 -15.879 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.188 -14.887 -16.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.824 -13.633 -18.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.278 -12.975 -18.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.378 -12.199 -17.398 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.394 -13.950 -12.620 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.723 -14.536 -12.576 1.00 0.00 C ATOM 1128 C GLY A 75 -5.429 -14.197 -11.262 1.00 0.00 C ATOM 1129 O GLY A 75 -6.284 -14.952 -10.800 1.00 0.00 O ATOM 0 H GLY A 75 -3.377 -12.930 -12.610 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.314 -14.169 -13.415 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.651 -15.618 -12.685 1.00 0.00 H new ATOM 1133 N SER A 76 -5.046 -13.061 -10.697 1.00 0.00 N ATOM 1134 CA SER A 76 -5.632 -12.613 -9.445 1.00 0.00 C ATOM 1135 C SER A 76 -6.223 -11.213 -9.616 1.00 0.00 C ATOM 1136 O SER A 76 -6.238 -10.672 -10.721 1.00 0.00 O ATOM 1137 CB SER A 76 -4.596 -12.619 -8.319 1.00 0.00 C ATOM 1138 OG SER A 76 -4.846 -13.651 -7.369 1.00 0.00 O ATOM 0 H SER A 76 -4.337 -12.438 -11.083 1.00 0.00 H new ATOM 0 HA SER A 76 -6.428 -13.305 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.600 -12.750 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.603 -11.653 -7.815 1.00 0.00 H new ATOM 0 HG SER A 76 -4.162 -13.623 -6.668 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.696 -10.665 -8.506 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.287 -9.338 -8.519 1.00 0.00 C ATOM 1146 C LEU A 77 -6.285 -8.344 -9.109 1.00 0.00 C ATOM 1147 O LEU A 77 -6.574 -7.682 -10.105 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.780 -8.957 -7.122 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.100 -9.592 -6.680 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.221 -9.271 -7.671 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -8.939 -11.098 -6.465 1.00 0.00 C ATOM 0 H LEU A 77 -6.682 -11.116 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.169 -9.321 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.010 -9.228 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.889 -7.873 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.384 -9.159 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.148 -9.734 -7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.355 -8.191 -7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.959 -9.659 -8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.892 -11.525 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.621 -11.566 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.190 -11.277 -5.694 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.126 -8.271 -8.470 1.00 0.00 N ATOM 1164 CA ALA A 78 -4.079 -7.369 -8.920 1.00 0.00 C ATOM 1165 C ALA A 78 -3.352 -7.992 -10.113 1.00 0.00 C ATOM 1166 O ALA A 78 -2.164 -8.301 -10.028 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.134 -7.063 -7.756 1.00 0.00 C ATOM 0 H ALA A 78 -4.889 -8.822 -7.645 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.505 -6.422 -9.252 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.349 -6.387 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.694 -6.594 -6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.686 -7.990 -7.398 1.00 0.00 H new ATOM 1173 N ASP A 79 -4.095 -8.159 -11.197 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.536 -8.741 -12.405 1.00 0.00 C ATOM 1175 C ASP A 79 -4.633 -8.854 -13.466 1.00 0.00 C ATOM 1176 O ASP A 79 -4.464 -8.388 -14.592 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.989 -10.144 -12.139 1.00 0.00 C ATOM 1178 CG ASP A 79 -2.116 -10.720 -13.256 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.924 -10.346 -13.295 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -2.660 -11.522 -14.045 1.00 0.00 O ATOM 0 H ASP A 79 -5.080 -7.901 -11.264 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.725 -8.097 -12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.407 -10.122 -11.218 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.828 -10.819 -11.970 1.00 0.00 H new ATOM 1185 N THR A 80 -5.733 -9.477 -13.069 1.00 0.00 N ATOM 1186 CA THR A 80 -6.858 -9.658 -13.971 1.00 0.00 C ATOM 1187 C THR A 80 -7.823 -8.476 -13.864 1.00 0.00 C ATOM 1188 O THR A 80 -8.569 -8.192 -14.801 1.00 0.00 O ATOM 1189 CB THR A 80 -7.509 -11.005 -13.651 1.00 0.00 C ATOM 1190 OG1 THR A 80 -8.162 -10.787 -12.404 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.479 -12.095 -13.348 1.00 0.00 C ATOM 0 H THR A 80 -5.869 -9.863 -12.135 1.00 0.00 H new ATOM 0 HA THR A 80 -6.532 -9.677 -15.011 1.00 0.00 H new ATOM 0 HB THR A 80 -8.131 -11.317 -14.490 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.523 -10.920 -11.673 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.993 -13.030 -13.128 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.830 -12.233 -14.213 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.879 -11.799 -12.487 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.778 -7.818 -12.715 1.00 0.00 N ATOM 1200 CA VAL A 81 -8.639 -6.673 -12.473 1.00 0.00 C ATOM 1201 C VAL A 81 -7.782 -5.412 -12.355 1.00 0.00 C ATOM 1202 O VAL A 81 -8.181 -4.341 -12.811 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.508 -6.924 -11.239 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.026 -5.607 -10.657 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -10.665 -7.870 -11.566 1.00 0.00 C ATOM 0 H VAL A 81 -7.158 -8.056 -11.941 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.322 -6.524 -13.310 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.886 -7.404 -10.483 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.641 -5.813 -9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.182 -4.980 -10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.624 -5.088 -11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.267 -8.032 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.286 -7.430 -12.346 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.268 -8.824 -11.913 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.620 -5.579 -11.741 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.703 -4.467 -11.557 1.00 0.00 C ATOM 1217 C GLY A 82 -4.714 -4.374 -12.721 1.00 0.00 C ATOM 1218 O GLY A 82 -4.347 -3.279 -13.142 1.00 0.00 O ATOM 0 H GLY A 82 -6.292 -6.468 -11.364 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.265 -3.537 -11.478 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.158 -4.591 -10.621 1.00 0.00 H new ATOM 1222 N HIS A 83 -4.311 -5.539 -13.207 1.00 0.00 N ATOM 1223 CA HIS A 83 -3.371 -5.603 -14.313 1.00 0.00 C ATOM 1224 C HIS A 83 -2.091 -4.850 -13.944 1.00 0.00 C ATOM 1225 O HIS A 83 -1.478 -4.206 -14.794 1.00 0.00 O ATOM 1226 CB HIS A 83 -4.013 -5.084 -15.602 1.00 0.00 C ATOM 1227 CG HIS A 83 -5.261 -5.830 -16.010 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -5.227 -7.077 -16.609 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -6.578 -5.492 -15.897 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -6.473 -7.463 -16.843 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -7.308 -6.479 -16.402 1.00 0.00 N ATOM 0 H HIS A 83 -4.618 -6.446 -12.855 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.098 -6.641 -14.503 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.258 -4.029 -15.475 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.284 -5.147 -16.410 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.961 -4.577 -15.470 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.774 -8.393 -17.302 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -8.327 -6.498 -16.452 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.726 -4.956 -12.675 1.00 0.00 N ATOM 1240 CA LEU A 84 -0.531 -4.293 -12.182 1.00 0.00 C ATOM 1241 C LEU A 84 0.706 -4.989 -12.755 1.00 0.00 C ATOM 1242 O LEU A 84 0.592 -5.831 -13.645 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.546 -4.227 -10.654 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.683 -3.417 -10.029 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -2.075 -3.986 -8.663 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -1.320 -1.933 -9.949 1.00 0.00 C ATOM 0 H LEU A 84 -2.237 -5.491 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.502 -3.258 -12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.596 -5.245 -10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.401 -3.804 -10.319 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.557 -3.500 -10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.885 -3.392 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.405 -5.018 -8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.214 -3.953 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.146 -1.380 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.426 -1.810 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.129 -1.551 -10.952 1.00 0.00 H new ATOM 1258 N ARG A 85 1.858 -4.612 -12.222 1.00 0.00 N ATOM 1259 CA ARG A 85 3.115 -5.189 -12.670 1.00 0.00 C ATOM 1260 C ARG A 85 4.195 -5.001 -11.603 1.00 0.00 C ATOM 1261 O ARG A 85 4.240 -3.968 -10.935 1.00 0.00 O ATOM 1262 CB ARG A 85 3.581 -4.546 -13.977 1.00 0.00 C ATOM 1263 CG ARG A 85 2.962 -5.251 -15.186 1.00 0.00 C ATOM 1264 CD ARG A 85 2.071 -4.295 -15.981 1.00 0.00 C ATOM 1265 NE ARG A 85 1.754 -4.879 -17.303 1.00 0.00 N ATOM 1266 CZ ARG A 85 0.922 -4.319 -18.192 1.00 0.00 C ATOM 1267 NH1 ARG A 85 0.319 -3.158 -17.907 1.00 0.00 N ATOM 1268 NH2 ARG A 85 0.694 -4.921 -19.368 1.00 0.00 N ATOM 0 H ARG A 85 1.948 -3.914 -11.484 1.00 0.00 H new ATOM 0 HA ARG A 85 2.950 -6.253 -12.841 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.306 -3.491 -13.986 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.668 -4.592 -14.042 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.752 -5.638 -15.830 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.376 -6.107 -14.852 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.151 -4.100 -15.430 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.575 -3.337 -16.109 1.00 0.00 H new ATOM 0 HE ARG A 85 2.196 -5.763 -17.553 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.493 -2.699 -17.013 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.314 -2.732 -18.584 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.154 -5.805 -19.586 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.061 -4.495 -20.045 1.00 0.00 H new ATOM 1282 N PRO A 86 5.061 -6.041 -11.472 1.00 0.00 N ATOM 1283 CA PRO A 86 6.139 -6.000 -10.498 1.00 0.00 C ATOM 1284 C PRO A 86 7.265 -5.075 -10.965 1.00 0.00 C ATOM 1285 O PRO A 86 8.161 -5.501 -11.692 1.00 0.00 O ATOM 1286 CB PRO A 86 6.583 -7.445 -10.342 1.00 0.00 C ATOM 1287 CG PRO A 86 6.060 -8.177 -11.567 1.00 0.00 C ATOM 1288 CD PRO A 86 5.038 -7.279 -12.246 1.00 0.00 C ATOM 0 HA PRO A 86 5.824 -5.588 -9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.669 -7.515 -10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.182 -7.880 -9.426 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.877 -8.410 -12.250 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.604 -9.125 -11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.300 -7.099 -13.289 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.047 -7.732 -12.240 1.00 0.00 H new ATOM 1296 N GLY A 87 7.183 -3.827 -10.527 1.00 0.00 N ATOM 1297 CA GLY A 87 8.184 -2.839 -10.891 1.00 0.00 C ATOM 1298 C GLY A 87 7.610 -1.423 -10.814 1.00 0.00 C ATOM 1299 O GLY A 87 8.350 -0.459 -10.626 1.00 0.00 O ATOM 0 H GLY A 87 6.439 -3.478 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.043 -2.924 -10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.543 -3.035 -11.901 1.00 0.00 H new ATOM 1303 N ASP A 88 6.296 -1.342 -10.963 1.00 0.00 N ATOM 1304 CA ASP A 88 5.614 -0.060 -10.912 1.00 0.00 C ATOM 1305 C ASP A 88 5.739 0.524 -9.504 1.00 0.00 C ATOM 1306 O ASP A 88 6.144 -0.171 -8.573 1.00 0.00 O ATOM 1307 CB ASP A 88 4.125 -0.215 -11.229 1.00 0.00 C ATOM 1308 CG ASP A 88 3.714 0.225 -12.635 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.205 1.292 -13.062 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.918 -0.515 -13.252 1.00 0.00 O ATOM 0 H ASP A 88 5.685 -2.144 -11.119 1.00 0.00 H new ATOM 0 HA ASP A 88 6.074 0.596 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.848 -1.261 -11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.552 0.361 -10.502 1.00 0.00 H new ATOM 1315 N GLU A 89 5.385 1.796 -9.392 1.00 0.00 N ATOM 1316 CA GLU A 89 5.453 2.481 -8.112 1.00 0.00 C ATOM 1317 C GLU A 89 4.051 2.891 -7.655 1.00 0.00 C ATOM 1318 O GLU A 89 3.460 3.817 -8.209 1.00 0.00 O ATOM 1319 CB GLU A 89 6.381 3.695 -8.189 1.00 0.00 C ATOM 1320 CG GLU A 89 6.346 4.496 -6.886 1.00 0.00 C ATOM 1321 CD GLU A 89 7.245 5.730 -6.977 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.260 6.343 -8.066 1.00 0.00 O ATOM 1323 OE2 GLU A 89 7.898 6.033 -5.954 1.00 0.00 O ATOM 0 H GLU A 89 5.050 2.370 -10.166 1.00 0.00 H new ATOM 0 HA GLU A 89 5.868 1.793 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.400 3.366 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.082 4.333 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.322 4.802 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.671 3.865 -6.058 1.00 0.00 H new ATOM 1330 N VAL A 90 3.561 2.182 -6.649 1.00 0.00 N ATOM 1331 CA VAL A 90 2.241 2.461 -6.110 1.00 0.00 C ATOM 1332 C VAL A 90 2.276 3.784 -5.343 1.00 0.00 C ATOM 1333 O VAL A 90 2.883 3.872 -4.277 1.00 0.00 O ATOM 1334 CB VAL A 90 1.766 1.285 -5.253 1.00 0.00 C ATOM 1335 CG1 VAL A 90 0.338 1.512 -4.755 1.00 0.00 C ATOM 1336 CG2 VAL A 90 1.876 -0.033 -6.022 1.00 0.00 C ATOM 0 H VAL A 90 4.054 1.415 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 90 1.516 2.572 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 90 2.418 1.220 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.025 0.662 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.303 2.420 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.333 1.616 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.532 -0.852 -5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.259 0.017 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.915 -0.204 -6.305 1.00 0.00 H new ATOM 1346 N LEU A 91 1.617 4.781 -5.916 1.00 0.00 N ATOM 1347 CA LEU A 91 1.565 6.096 -5.299 1.00 0.00 C ATOM 1348 C LEU A 91 0.621 6.053 -4.096 1.00 0.00 C ATOM 1349 O LEU A 91 1.021 6.369 -2.977 1.00 0.00 O ATOM 1350 CB LEU A 91 1.195 7.159 -6.335 1.00 0.00 C ATOM 1351 CG LEU A 91 2.214 7.391 -7.452 1.00 0.00 C ATOM 1352 CD1 LEU A 91 1.719 8.457 -8.432 1.00 0.00 C ATOM 1353 CD2 LEU A 91 3.589 7.736 -6.877 1.00 0.00 C ATOM 0 H LEU A 91 1.115 4.705 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 91 2.548 6.380 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.245 6.879 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.034 8.104 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 91 2.323 6.463 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.462 8.603 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.779 8.133 -8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.563 9.396 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.295 7.896 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.515 8.643 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.938 6.915 -6.251 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.615 5.660 -4.368 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.619 5.572 -3.322 1.00 0.00 C ATOM 1367 C GLU A 92 -2.312 4.208 -3.364 1.00 0.00 C ATOM 1368 O GLU A 92 -2.286 3.526 -4.387 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.637 6.708 -3.442 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.941 8.070 -3.451 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.609 9.021 -4.446 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -2.644 8.659 -5.642 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -3.070 10.089 -3.988 1.00 0.00 O ATOM 0 H GLU A 92 -0.944 5.399 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.121 5.675 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.217 6.586 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.340 6.660 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.971 8.504 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.890 7.944 -3.713 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.915 3.851 -2.240 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.613 2.581 -2.135 1.00 0.00 C ATOM 1382 C TRP A 93 -4.954 2.834 -1.443 1.00 0.00 C ATOM 1383 O TRP A 93 -5.023 2.882 -0.216 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.754 1.541 -1.413 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.470 0.213 -1.157 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.517 -0.018 -0.353 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -3.146 -1.065 -1.742 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.890 -1.346 -0.378 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -4.030 -2.003 -1.250 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.139 -1.418 -2.658 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.996 -3.355 -1.615 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.119 -2.772 -3.013 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -3.002 -3.729 -2.526 1.00 0.00 C ATOM 0 H TRP A 93 -2.935 4.419 -1.393 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.805 2.164 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.858 1.351 -2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.425 1.955 -0.460 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -5.007 0.740 0.240 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.656 -1.768 0.147 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.436 -0.701 -3.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.699 -4.070 -1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.365 -3.096 -3.715 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.921 -4.756 -2.849 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.986 2.989 -2.260 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.320 3.236 -1.741 1.00 0.00 C ATOM 1406 C ASN A 94 -7.401 4.671 -1.217 1.00 0.00 C ATOM 1407 O ASN A 94 -8.278 4.995 -0.416 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.645 2.290 -0.583 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.992 1.599 -0.801 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.058 0.371 -0.295 1.00 0.00 O flip ATOM 1411 ND2 ASN A 94 -9.911 2.144 -1.390 1.00 0.00 N flip ATOM 0 H ASN A 94 -5.925 2.948 -3.277 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.032 3.073 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.859 1.541 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.666 2.849 0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.794 3.090 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.796 1.654 -1.518 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.476 5.493 -1.688 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.432 6.886 -1.277 1.00 0.00 C ATOM 1420 C GLY A 95 -5.290 7.130 -0.288 1.00 0.00 C ATOM 1421 O GLY A 95 -4.995 8.273 0.055 1.00 0.00 O ATOM 0 H GLY A 95 -5.750 5.221 -2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.303 7.523 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.381 7.164 -0.818 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.679 6.036 0.143 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.577 6.116 1.086 1.00 0.00 C ATOM 1427 C ARG A 96 -2.247 6.231 0.339 1.00 0.00 C ATOM 1428 O ARG A 96 -1.822 5.288 -0.328 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.539 4.886 1.995 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.488 5.053 3.183 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.778 5.722 4.362 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.774 6.197 5.348 1.00 0.00 N ATOM 1433 CZ ARG A 96 -5.521 7.299 5.191 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -5.390 8.045 4.086 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -6.399 7.654 6.139 1.00 0.00 N ATOM 0 H ARG A 96 -4.927 5.089 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.730 7.003 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.817 3.999 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.523 4.727 2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.348 5.652 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.869 4.079 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.095 5.016 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.177 6.559 4.008 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.900 5.652 6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.722 7.774 3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.958 8.884 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.499 7.086 6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.967 8.493 6.020 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.626 7.393 0.476 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.353 7.643 -0.178 1.00 0.00 C ATOM 1451 C LEU A 97 0.724 6.761 0.457 1.00 0.00 C ATOM 1452 O LEU A 97 0.820 6.676 1.680 1.00 0.00 O ATOM 1453 CB LEU A 97 -0.020 9.136 -0.149 1.00 0.00 C ATOM 1454 CG LEU A 97 1.311 9.539 -0.787 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.084 10.380 -2.046 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.210 10.253 0.224 1.00 0.00 C ATOM 0 H LEU A 97 -1.981 8.172 1.030 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.407 7.372 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.821 9.676 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.017 9.467 0.889 1.00 0.00 H new ATOM 0 HG LEU A 97 1.830 8.631 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.046 10.653 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.510 9.802 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.534 11.284 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.149 10.528 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.710 11.152 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.413 9.588 1.064 1.00 0.00 H new ATOM 1468 N LEU A 98 1.506 6.126 -0.403 1.00 0.00 N ATOM 1469 CA LEU A 98 2.572 5.253 0.058 1.00 0.00 C ATOM 1470 C LEU A 98 3.890 6.030 0.078 1.00 0.00 C ATOM 1471 O LEU A 98 4.808 5.684 0.819 1.00 0.00 O ATOM 1472 CB LEU A 98 2.623 3.977 -0.785 1.00 0.00 C ATOM 1473 CG LEU A 98 1.290 3.256 -0.992 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.494 1.919 -1.706 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.545 3.089 0.335 1.00 0.00 C ATOM 0 H LEU A 98 1.423 6.199 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 98 2.380 4.925 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.033 4.228 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.320 3.283 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 98 0.665 3.873 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.530 1.428 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.952 2.093 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.146 1.283 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.399 2.574 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.155 2.505 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.348 4.070 0.768 1.00 0.00 H new ATOM 1487 N GLN A 99 3.941 7.067 -0.746 1.00 0.00 N ATOM 1488 CA GLN A 99 5.131 7.896 -0.833 1.00 0.00 C ATOM 1489 C GLN A 99 5.478 8.470 0.542 1.00 0.00 C ATOM 1490 O GLN A 99 4.735 9.287 1.084 1.00 0.00 O ATOM 1491 CB GLN A 99 4.947 9.012 -1.863 1.00 0.00 C ATOM 1492 CG GLN A 99 5.415 8.562 -3.249 1.00 0.00 C ATOM 1493 CD GLN A 99 5.568 9.757 -4.191 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.001 10.818 -3.987 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.364 9.527 -5.231 1.00 0.00 N ATOM 0 H GLN A 99 3.177 7.352 -1.359 1.00 0.00 H new ATOM 0 HA GLN A 99 5.962 7.273 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.897 9.302 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.509 9.893 -1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.367 8.038 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.699 7.855 -3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.808 8.615 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.531 10.262 -5.918 1.00 0.00 H new ATOM 1504 N GLY A 100 6.609 8.021 1.067 1.00 0.00 N ATOM 1505 CA GLY A 100 7.064 8.480 2.368 1.00 0.00 C ATOM 1506 C GLY A 100 6.672 7.491 3.467 1.00 0.00 C ATOM 1507 O GLY A 100 7.381 7.349 4.462 1.00 0.00 O ATOM 0 H GLY A 100 7.224 7.344 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.147 8.604 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.633 9.458 2.583 1.00 0.00 H new ATOM 1511 N ALA A 101 5.543 6.832 3.250 1.00 0.00 N ATOM 1512 CA ALA A 101 5.047 5.860 4.209 1.00 0.00 C ATOM 1513 C ALA A 101 6.138 4.825 4.490 1.00 0.00 C ATOM 1514 O ALA A 101 6.866 4.423 3.584 1.00 0.00 O ATOM 1515 CB ALA A 101 3.763 5.223 3.674 1.00 0.00 C ATOM 0 H ALA A 101 4.958 6.952 2.423 1.00 0.00 H new ATOM 0 HA ALA A 101 4.801 6.345 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.391 4.494 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.010 5.996 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.971 4.725 2.727 1.00 0.00 H new ATOM 1521 N THR A 102 6.218 4.423 5.750 1.00 0.00 N ATOM 1522 CA THR A 102 7.208 3.443 6.162 1.00 0.00 C ATOM 1523 C THR A 102 6.821 2.051 5.660 1.00 0.00 C ATOM 1524 O THR A 102 5.739 1.866 5.105 1.00 0.00 O ATOM 1525 CB THR A 102 7.349 3.523 7.683 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.196 2.845 8.175 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.194 4.951 8.211 1.00 0.00 C ATOM 0 H THR A 102 5.613 4.759 6.499 1.00 0.00 H new ATOM 0 HA THR A 102 8.182 3.655 5.720 1.00 0.00 H new ATOM 0 HB THR A 102 8.322 3.130 7.978 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.208 2.848 9.155 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.303 4.952 9.296 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.961 5.588 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.208 5.332 7.945 1.00 0.00 H new ATOM 1535 N PHE A 103 7.726 1.107 5.874 1.00 0.00 N ATOM 1536 CA PHE A 103 7.492 -0.263 5.450 1.00 0.00 C ATOM 1537 C PHE A 103 6.247 -0.842 6.126 1.00 0.00 C ATOM 1538 O PHE A 103 5.513 -1.620 5.520 1.00 0.00 O ATOM 1539 CB PHE A 103 8.715 -1.078 5.877 1.00 0.00 C ATOM 1540 CG PHE A 103 8.549 -2.589 5.699 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.869 -3.173 4.514 1.00 0.00 C ATOM 1542 CD2 PHE A 103 8.081 -3.347 6.727 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.715 -4.575 4.348 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.927 -4.749 6.561 1.00 0.00 C ATOM 1545 CZ PHE A 103 8.247 -5.333 5.376 1.00 0.00 C ATOM 0 H PHE A 103 8.622 1.264 6.335 1.00 0.00 H new ATOM 0 HA PHE A 103 7.336 -0.297 4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.579 -0.747 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.932 -0.867 6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 103 9.241 -2.571 3.698 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.827 -2.883 7.669 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.969 -5.039 3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.555 -5.351 7.377 1.00 0.00 H new ATOM 0 HZ PHE A 103 8.130 -6.399 5.251 1.00 0.00 H new ATOM 1555 N GLU A 104 6.048 -0.438 7.372 1.00 0.00 N ATOM 1556 CA GLU A 104 4.904 -0.907 8.136 1.00 0.00 C ATOM 1557 C GLU A 104 3.633 -0.185 7.685 1.00 0.00 C ATOM 1558 O GLU A 104 2.587 -0.810 7.518 1.00 0.00 O ATOM 1559 CB GLU A 104 5.136 -0.722 9.638 1.00 0.00 C ATOM 1560 CG GLU A 104 6.091 -1.787 10.180 1.00 0.00 C ATOM 1561 CD GLU A 104 6.645 -1.382 11.547 1.00 0.00 C ATOM 1562 OE1 GLU A 104 5.839 -0.878 12.359 1.00 0.00 O ATOM 1563 OE2 GLU A 104 7.861 -1.585 11.750 1.00 0.00 O ATOM 0 H GLU A 104 6.659 0.208 7.871 1.00 0.00 H new ATOM 0 HA GLU A 104 4.778 -1.973 7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.547 0.270 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.184 -0.779 10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.569 -2.740 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.913 -1.934 9.479 1.00 0.00 H new ATOM 1570 N GLU A 105 3.765 1.120 7.501 1.00 0.00 N ATOM 1571 CA GLU A 105 2.639 1.933 7.072 1.00 0.00 C ATOM 1572 C GLU A 105 2.036 1.368 5.785 1.00 0.00 C ATOM 1573 O GLU A 105 0.862 1.003 5.753 1.00 0.00 O ATOM 1574 CB GLU A 105 3.057 3.393 6.887 1.00 0.00 C ATOM 1575 CG GLU A 105 3.025 4.146 8.219 1.00 0.00 C ATOM 1576 CD GLU A 105 3.048 5.659 7.994 1.00 0.00 C ATOM 1577 OE1 GLU A 105 4.051 6.132 7.416 1.00 0.00 O ATOM 1578 OE2 GLU A 105 2.063 6.309 8.405 1.00 0.00 O ATOM 0 H GLU A 105 4.634 1.635 7.641 1.00 0.00 H new ATOM 0 HA GLU A 105 1.877 1.903 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.061 3.437 6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.390 3.878 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.129 3.871 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.880 3.852 8.828 1.00 0.00 H new ATOM 1585 N VAL A 106 2.867 1.312 4.754 1.00 0.00 N ATOM 1586 CA VAL A 106 2.430 0.797 3.468 1.00 0.00 C ATOM 1587 C VAL A 106 1.687 -0.524 3.678 1.00 0.00 C ATOM 1588 O VAL A 106 0.617 -0.735 3.109 1.00 0.00 O ATOM 1589 CB VAL A 106 3.626 0.667 2.523 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.223 -0.026 1.220 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.258 2.032 2.245 1.00 0.00 C ATOM 0 H VAL A 106 3.841 1.615 4.784 1.00 0.00 H new ATOM 0 HA VAL A 106 1.733 1.490 2.996 1.00 0.00 H new ATOM 0 HB VAL A 106 4.374 0.046 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.092 -0.105 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.843 -1.023 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.447 0.556 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.106 1.910 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.519 2.688 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.600 2.472 3.182 1.00 0.00 H new ATOM 1601 N TYR A 107 2.284 -1.378 4.496 1.00 0.00 N ATOM 1602 CA TYR A 107 1.692 -2.672 4.788 1.00 0.00 C ATOM 1603 C TYR A 107 0.362 -2.513 5.527 1.00 0.00 C ATOM 1604 O TYR A 107 -0.653 -3.074 5.115 1.00 0.00 O ATOM 1605 CB TYR A 107 2.685 -3.394 5.700 1.00 0.00 C ATOM 1606 CG TYR A 107 2.272 -4.821 6.065 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.172 -5.036 6.871 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.998 -5.894 5.588 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.783 -6.379 7.215 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.608 -7.237 5.932 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.520 -7.413 6.728 1.00 0.00 C ATOM 1612 OH TYR A 107 1.152 -8.682 7.053 1.00 0.00 O ATOM 0 H TYR A 107 3.172 -1.199 4.966 1.00 0.00 H new ATOM 0 HA TYR A 107 1.495 -3.220 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.658 -3.423 5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.807 -2.817 6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.603 -4.197 7.244 1.00 0.00 H new ATOM 0 HD2 TYR A 107 3.858 -5.726 4.957 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.075 -6.561 7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.167 -8.085 5.566 1.00 0.00 H new ATOM 0 HH TYR A 107 1.768 -9.319 6.634 1.00 0.00 H new ATOM 1622 N ASN A 108 0.410 -1.746 6.606 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.779 -1.505 7.407 1.00 0.00 C ATOM 1624 C ASN A 108 -1.926 -1.073 6.492 1.00 0.00 C ATOM 1625 O ASN A 108 -3.040 -1.584 6.602 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.540 -0.389 8.425 1.00 0.00 C ATOM 1627 CG ASN A 108 0.092 -0.940 9.705 1.00 0.00 C ATOM 1628 OD1 ASN A 108 0.338 -2.127 9.845 1.00 0.00 O ATOM 1629 ND2 ASN A 108 0.339 -0.015 10.628 1.00 0.00 N ATOM 0 H ASN A 108 1.253 -1.283 6.945 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.023 -2.427 7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.111 0.370 7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.485 0.099 8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 108 0.759 -0.282 11.518 1.00 0.00 H new ATOM 0 HD22 ASN A 108 0.108 0.962 10.446 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.615 -0.136 5.608 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.606 0.371 4.674 1.00 0.00 C ATOM 1638 C ILE A 109 -3.336 -0.806 4.023 1.00 0.00 C ATOM 1639 O ILE A 109 -4.534 -0.990 4.232 1.00 0.00 O ATOM 1640 CB ILE A 109 -1.957 1.324 3.669 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.450 2.590 4.362 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -2.915 1.644 2.519 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.560 3.409 3.425 1.00 0.00 C ATOM 0 H ILE A 109 -0.690 0.285 5.519 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.357 0.962 5.199 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.090 0.825 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.297 3.195 4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.890 2.319 5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.429 2.323 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.184 0.723 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.815 2.114 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.213 4.303 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.298 2.809 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.130 3.699 2.542 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.583 -1.572 3.248 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.143 -2.726 2.565 1.00 0.00 C ATOM 1657 C ILE A 110 -3.875 -3.608 3.579 1.00 0.00 C ATOM 1658 O ILE A 110 -4.811 -4.322 3.225 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.057 -3.463 1.779 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.616 -2.652 0.559 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.518 -4.871 1.396 1.00 0.00 C ATOM 1662 CD1 ILE A 110 -0.091 -2.593 0.462 1.00 0.00 C ATOM 0 H ILE A 110 -1.589 -1.416 3.078 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.880 -2.411 1.826 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.185 -3.574 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.024 -3.100 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.019 -1.641 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.728 -5.373 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.742 -5.439 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.413 -4.805 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.196 -2.011 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.313 -2.123 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.307 -3.604 0.372 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.419 -3.529 4.821 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.018 -4.311 5.889 1.00 0.00 C ATOM 1676 C LEU A 111 -5.330 -3.653 6.323 1.00 0.00 C ATOM 1677 O LEU A 111 -6.237 -4.329 6.805 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.021 -4.509 7.032 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.627 -4.757 8.415 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.054 -6.218 8.573 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -2.666 -4.318 9.522 1.00 0.00 C ATOM 0 H LEU A 111 -2.642 -2.935 5.111 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.265 -5.312 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.376 -5.352 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.384 -3.626 7.089 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.526 -4.147 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.481 -6.367 9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.799 -6.463 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.186 -6.866 8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.121 -4.505 10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.737 -4.882 9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.455 -3.254 9.419 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.387 -2.343 6.136 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.572 -1.586 6.502 1.00 0.00 C ATOM 1695 C GLU A 112 -7.630 -1.691 5.402 1.00 0.00 C ATOM 1696 O GLU A 112 -8.790 -1.342 5.616 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.223 -0.124 6.789 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.677 0.040 8.209 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.516 1.042 9.006 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.624 0.646 9.427 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -6.029 2.181 9.175 1.00 0.00 O ATOM 0 H GLU A 112 -4.632 -1.786 5.736 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.983 -2.013 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.484 0.225 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.110 0.497 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.677 -0.925 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.642 0.378 8.168 1.00 0.00 H new ATOM 1708 N SER A 113 -7.192 -2.173 4.248 1.00 0.00 N ATOM 1709 CA SER A 113 -8.087 -2.328 3.114 1.00 0.00 C ATOM 1710 C SER A 113 -8.588 -3.771 3.036 1.00 0.00 C ATOM 1711 O SER A 113 -9.164 -4.179 2.028 1.00 0.00 O ATOM 1712 CB SER A 113 -7.393 -1.936 1.807 1.00 0.00 C ATOM 1713 OG SER A 113 -6.567 -0.786 1.965 1.00 0.00 O ATOM 0 H SER A 113 -6.229 -2.461 4.074 1.00 0.00 H new ATOM 0 HA SER A 113 -8.938 -1.662 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.788 -2.771 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.144 -1.740 1.042 1.00 0.00 H new ATOM 0 HG SER A 113 -6.089 -0.609 1.128 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.352 -4.504 4.114 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.773 -5.894 4.181 1.00 0.00 C ATOM 1721 C LYS A 114 -10.302 -5.960 4.165 1.00 0.00 C ATOM 1722 O LYS A 114 -10.887 -6.670 3.348 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.140 -6.588 5.389 1.00 0.00 C ATOM 1724 CG LYS A 114 -7.248 -7.750 4.948 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.016 -7.867 5.847 1.00 0.00 C ATOM 1726 CE LYS A 114 -6.065 -9.149 6.681 1.00 0.00 C ATOM 1727 NZ LYS A 114 -5.015 -10.094 6.240 1.00 0.00 N ATOM 0 H LYS A 114 -7.875 -4.162 4.948 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.420 -6.442 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.552 -5.869 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.922 -6.957 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.815 -8.680 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.936 -7.601 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.114 -7.861 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.960 -7.001 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.928 -8.909 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.046 -9.615 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.854 -10.805 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.319 -10.568 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.132 -9.574 6.062 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.921 -5.192 5.100 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.370 -5.157 5.201 1.00 0.00 C ATOM 1743 C PRO A 115 -12.978 -4.328 4.068 1.00 0.00 C ATOM 1744 O PRO A 115 -14.082 -4.616 3.608 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.655 -4.580 6.578 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.375 -3.883 7.011 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.260 -4.338 6.084 1.00 0.00 C ATOM 0 HA PRO A 115 -12.823 -6.143 5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.489 -3.879 6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.929 -5.366 7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.494 -2.801 6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.137 -4.131 8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.771 -3.489 5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.490 -4.884 6.629 1.00 0.00 H new ATOM 1755 N GLU A 116 -12.232 -3.316 3.651 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.684 -2.444 2.580 1.00 0.00 C ATOM 1757 C GLU A 116 -13.324 -3.267 1.460 1.00 0.00 C ATOM 1758 O GLU A 116 -12.902 -4.391 1.192 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.532 -1.591 2.044 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.164 -0.484 3.034 1.00 0.00 C ATOM 1761 CD GLU A 116 -10.255 0.557 2.378 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -10.769 1.292 1.507 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -9.066 0.595 2.763 1.00 0.00 O ATOM 0 H GLU A 116 -11.317 -3.080 4.035 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.437 -1.767 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.663 -2.222 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.815 -1.150 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.071 -0.002 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.662 -0.917 3.899 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.358 -2.659 0.819 1.00 0.00 N ATOM 1771 CA PRO A 117 -15.060 -3.323 -0.266 1.00 0.00 C ATOM 1772 C PRO A 117 -14.220 -3.320 -1.545 1.00 0.00 C ATOM 1773 O PRO A 117 -14.202 -4.305 -2.282 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.368 -2.562 -0.412 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.150 -1.224 0.275 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.884 -1.329 1.109 1.00 0.00 C ATOM 0 HA PRO A 117 -15.249 -4.377 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.625 -2.425 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -17.191 -3.108 0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.056 -0.427 -0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -17.003 -0.975 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.168 -0.553 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.099 -1.211 2.171 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.546 -2.202 -1.770 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.706 -2.058 -2.947 1.00 0.00 C ATOM 1786 C GLN A 118 -11.326 -1.529 -2.553 1.00 0.00 C ATOM 1787 O GLN A 118 -11.047 -1.332 -1.372 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.368 -1.148 -3.984 1.00 0.00 C ATOM 1789 CG GLN A 118 -12.827 0.280 -3.884 1.00 0.00 C ATOM 1790 CD GLN A 118 -13.865 1.294 -4.369 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -14.254 1.110 -5.628 1.00 0.00 O flip ATOM 1792 NE2 GLN A 118 -14.285 2.184 -3.649 1.00 0.00 N flip ATOM 0 H GLN A 118 -13.564 -1.387 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.579 -3.040 -3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -13.188 -1.540 -4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.447 -1.143 -3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.555 0.498 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -11.918 0.371 -4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -13.944 2.269 -2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -14.977 2.844 -4.004 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.499 -1.313 -3.566 1.00 0.00 N ATOM 1802 CA VAL A 119 -9.155 -0.810 -3.340 1.00 0.00 C ATOM 1803 C VAL A 119 -8.673 -0.076 -4.593 1.00 0.00 C ATOM 1804 O VAL A 119 -8.355 -0.705 -5.602 1.00 0.00 O ATOM 1805 CB VAL A 119 -8.230 -1.956 -2.925 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -8.846 -3.312 -3.275 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -6.847 -1.801 -3.560 1.00 0.00 C ATOM 0 H VAL A 119 -10.734 -1.477 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.148 -0.092 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 119 -8.108 -1.913 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -8.168 -4.109 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -9.797 -3.425 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -9.012 -3.369 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.209 -2.628 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -6.943 -1.805 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -6.402 -0.859 -3.238 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.632 1.244 -4.489 1.00 0.00 N ATOM 1818 CA GLU A 120 -8.194 2.070 -5.601 1.00 0.00 C ATOM 1819 C GLU A 120 -6.691 2.339 -5.502 1.00 0.00 C ATOM 1820 O GLU A 120 -6.256 3.163 -4.699 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.983 3.379 -5.656 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.554 4.228 -6.854 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.891 5.703 -6.630 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -8.117 6.358 -5.899 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -9.916 6.143 -7.195 1.00 0.00 O ATOM 0 H GLU A 120 -8.895 1.762 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.386 1.529 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -10.049 3.163 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.828 3.940 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.482 4.117 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.053 3.870 -7.755 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.939 1.628 -6.330 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.494 1.780 -6.346 1.00 0.00 C ATOM 1834 C LEU A 121 -4.108 2.835 -7.384 1.00 0.00 C ATOM 1835 O LEU A 121 -4.918 3.200 -8.235 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.815 0.427 -6.563 1.00 0.00 C ATOM 1837 CG LEU A 121 -4.300 -0.718 -5.670 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -3.450 -1.973 -5.877 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -4.340 -0.288 -4.202 1.00 0.00 C ATOM 0 H LEU A 121 -6.303 0.945 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.138 2.138 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.956 0.135 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.743 0.552 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.320 -0.969 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.816 -2.771 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.516 -2.290 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.411 -1.754 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.688 -1.119 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.340 0.006 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.020 0.556 -4.089 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.870 3.296 -7.281 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.367 4.302 -8.201 1.00 0.00 C ATOM 1853 C VAL A 122 -0.870 4.077 -8.427 1.00 0.00 C ATOM 1854 O VAL A 122 -0.119 3.872 -7.475 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.688 5.702 -7.673 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.606 6.742 -8.792 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.059 5.731 -6.996 1.00 0.00 C ATOM 0 H VAL A 122 -2.200 2.991 -6.574 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.859 4.214 -9.170 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.939 5.958 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.839 7.728 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.599 6.749 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.322 6.491 -9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.263 6.737 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.826 5.444 -7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.067 5.032 -6.160 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.482 4.123 -9.693 1.00 0.00 N ATOM 1868 CA VAL A 123 0.911 3.927 -10.056 1.00 0.00 C ATOM 1869 C VAL A 123 1.346 5.039 -11.013 1.00 0.00 C ATOM 1870 O VAL A 123 0.522 5.602 -11.731 1.00 0.00 O ATOM 1871 CB VAL A 123 1.108 2.526 -10.639 1.00 0.00 C ATOM 1872 CG1 VAL A 123 1.491 1.526 -9.546 1.00 0.00 C ATOM 1873 CG2 VAL A 123 -0.142 2.065 -11.390 1.00 0.00 C ATOM 0 H VAL A 123 -1.108 4.293 -10.480 1.00 0.00 H new ATOM 0 HA VAL A 123 1.548 3.990 -9.174 1.00 0.00 H new ATOM 0 HB VAL A 123 1.930 2.573 -11.353 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.625 0.538 -9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.421 1.842 -9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.700 1.485 -8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.024 1.067 -11.795 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.990 2.043 -10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.352 2.757 -12.206 1.00 0.00 H new ATOM 1883 N SER A 124 2.640 5.323 -10.991 1.00 0.00 N ATOM 1884 CA SER A 124 3.194 6.357 -11.847 1.00 0.00 C ATOM 1885 C SER A 124 4.590 5.950 -12.323 1.00 0.00 C ATOM 1886 O SER A 124 5.528 5.892 -11.529 1.00 0.00 O ATOM 1887 CB SER A 124 3.252 7.702 -11.119 1.00 0.00 C ATOM 1888 OG SER A 124 4.227 8.574 -11.686 1.00 0.00 O ATOM 0 H SER A 124 3.321 4.854 -10.393 1.00 0.00 H new ATOM 0 HA SER A 124 2.541 6.471 -12.712 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.272 8.178 -11.159 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.483 7.535 -10.067 1.00 0.00 H new ATOM 0 HG SER A 124 4.232 9.422 -11.195 1.00 0.00 H new ATOM 1894 N ARG A 125 4.684 5.679 -13.617 1.00 0.00 N ATOM 1895 CA ARG A 125 5.950 5.280 -14.208 1.00 0.00 C ATOM 1896 C ARG A 125 6.537 6.427 -15.032 1.00 0.00 C ATOM 1897 O ARG A 125 5.828 7.369 -15.384 1.00 0.00 O ATOM 1898 CB ARG A 125 5.776 4.053 -15.105 1.00 0.00 C ATOM 1899 CG ARG A 125 5.019 4.413 -16.385 1.00 0.00 C ATOM 1900 CD ARG A 125 3.699 3.645 -16.477 1.00 0.00 C ATOM 1901 NE ARG A 125 3.917 2.222 -16.137 1.00 0.00 N ATOM 1902 CZ ARG A 125 4.369 1.303 -17.002 1.00 0.00 C ATOM 1903 NH1 ARG A 125 4.653 1.654 -18.263 1.00 0.00 N ATOM 1904 NH2 ARG A 125 4.536 0.034 -16.605 1.00 0.00 N ATOM 0 H ARG A 125 3.904 5.728 -14.272 1.00 0.00 H new ATOM 0 HA ARG A 125 6.631 5.028 -13.395 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.753 3.642 -15.359 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.235 3.276 -14.564 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.822 5.485 -16.406 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.637 4.186 -17.253 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.967 4.082 -15.798 1.00 0.00 H new ATOM 0 HD3 ARG A 125 3.290 3.728 -17.484 1.00 0.00 H new ATOM 0 HE ARG A 125 3.710 1.921 -15.185 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.525 2.620 -18.565 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.997 0.955 -18.922 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.319 -0.233 -15.645 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.880 -0.665 -17.263 1.00 0.00 H new ATOM 1918 N SER A 126 7.825 6.311 -15.316 1.00 0.00 N ATOM 1919 CA SER A 126 8.515 7.327 -16.092 1.00 0.00 C ATOM 1920 C SER A 126 8.659 6.868 -17.545 1.00 0.00 C ATOM 1921 O SER A 126 9.376 5.910 -17.829 1.00 0.00 O ATOM 1922 CB SER A 126 9.890 7.638 -15.496 1.00 0.00 C ATOM 1923 OG SER A 126 10.849 6.634 -15.814 1.00 0.00 O ATOM 0 H SER A 126 8.410 5.528 -15.023 1.00 0.00 H new ATOM 0 HA SER A 126 7.921 8.241 -16.062 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.237 8.602 -15.869 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.804 7.727 -14.413 1.00 0.00 H new ATOM 0 HG SER A 126 10.593 6.190 -16.650 1.00 0.00 H new ATOM 1929 N GLY A 127 7.965 7.573 -18.426 1.00 0.00 N ATOM 1930 CA GLY A 127 8.006 7.250 -19.842 1.00 0.00 C ATOM 1931 C GLY A 127 9.308 7.741 -20.479 1.00 0.00 C ATOM 1932 O GLY A 127 10.273 8.039 -19.777 1.00 0.00 O ATOM 0 H GLY A 127 7.371 8.367 -18.187 1.00 0.00 H new ATOM 0 HA2 GLY A 127 7.916 6.172 -19.976 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.155 7.706 -20.348 1.00 0.00 H new ATOM 1936 N PRO A 128 9.292 7.812 -21.837 1.00 0.00 N ATOM 1937 CA PRO A 128 10.459 8.262 -22.576 1.00 0.00 C ATOM 1938 C PRO A 128 10.628 9.779 -22.465 1.00 0.00 C ATOM 1939 O PRO A 128 9.771 10.537 -22.916 1.00 0.00 O ATOM 1940 CB PRO A 128 10.225 7.794 -24.003 1.00 0.00 C ATOM 1941 CG PRO A 128 8.735 7.511 -24.110 1.00 0.00 C ATOM 1942 CD PRO A 128 8.167 7.467 -22.701 1.00 0.00 C ATOM 0 HA PRO A 128 11.389 7.852 -22.183 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.530 8.557 -24.719 1.00 0.00 H new ATOM 0 HB3 PRO A 128 10.809 6.900 -24.222 1.00 0.00 H new ATOM 0 HG2 PRO A 128 8.241 8.285 -24.697 1.00 0.00 H new ATOM 0 HG3 PRO A 128 8.562 6.564 -24.621 1.00 0.00 H new ATOM 0 HD2 PRO A 128 7.346 8.174 -22.583 1.00 0.00 H new ATOM 0 HD3 PRO A 128 7.774 6.479 -22.463 1.00 0.00 H new ATOM 1950 N SER A 129 11.739 10.175 -21.861 1.00 0.00 N ATOM 1951 CA SER A 129 12.031 11.588 -21.684 1.00 0.00 C ATOM 1952 C SER A 129 13.305 11.957 -22.445 1.00 0.00 C ATOM 1953 O SER A 129 14.409 11.631 -22.010 1.00 0.00 O ATOM 1954 CB SER A 129 12.177 11.939 -20.202 1.00 0.00 C ATOM 1955 OG SER A 129 11.136 11.368 -19.413 1.00 0.00 O ATOM 0 H SER A 129 12.447 9.543 -21.488 1.00 0.00 H new ATOM 0 HA SER A 129 11.196 12.163 -22.085 1.00 0.00 H new ATOM 0 HB2 SER A 129 13.142 11.586 -19.839 1.00 0.00 H new ATOM 0 HB3 SER A 129 12.169 13.023 -20.084 1.00 0.00 H new ATOM 0 HG SER A 129 11.266 11.614 -18.473 1.00 0.00 H new ATOM 1961 N SER A 130 13.111 12.634 -23.568 1.00 0.00 N ATOM 1962 CA SER A 130 14.232 13.051 -24.393 1.00 0.00 C ATOM 1963 C SER A 130 15.020 11.827 -24.864 1.00 0.00 C ATOM 1964 O SER A 130 15.943 11.380 -24.185 1.00 0.00 O ATOM 1965 CB SER A 130 15.148 14.013 -23.633 1.00 0.00 C ATOM 1966 OG SER A 130 15.458 15.173 -24.400 1.00 0.00 O ATOM 0 H SER A 130 12.195 12.904 -23.925 1.00 0.00 H new ATOM 0 HA SER A 130 13.839 13.578 -25.263 1.00 0.00 H new ATOM 0 HB2 SER A 130 14.667 14.312 -22.702 1.00 0.00 H new ATOM 0 HB3 SER A 130 16.071 13.499 -23.364 1.00 0.00 H new ATOM 0 HG SER A 130 16.043 15.763 -23.880 1.00 0.00 H new ATOM 1972 N GLY A 131 14.627 11.320 -26.023 1.00 0.00 N ATOM 1973 CA GLY A 131 15.285 10.157 -26.592 1.00 0.00 C ATOM 1974 C GLY A 131 14.593 8.865 -26.152 1.00 0.00 C ATOM 1975 O GLY A 131 15.244 7.942 -25.667 1.00 0.00 O ATOM 0 H GLY A 131 13.861 11.694 -26.583 1.00 0.00 H new ATOM 0 HA2 GLY A 131 15.277 10.226 -27.680 1.00 0.00 H new ATOM 0 HA3 GLY A 131 16.330 10.138 -26.282 1.00 0.00 H new TER 1979 GLY A 131