USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0962 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -0:sc= 0.633! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -5.77! C(o=-5.8!,f=-8.2!) USER MOD Single : A 23 MET CE :methyl 173:sc= -7.59! (180deg=-8.51!) USER MOD Single : A 26 SER OG : rot 67:sc= 1.01 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0.52 (180deg=0.473) USER MOD Single : A 35 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.089 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 65 SER OG : rot 180:sc= -0.233 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 76 GLN : amide:sc= -4.99! C(o=-5!,f=-9.6!) USER MOD Single : A 83 MET CE :methyl -140:sc= -3.65! (180deg=-8.08!) USER MOD Single : A 84 THR OG1 : rot 83:sc= -0.139 USER MOD Single : A 86 THR OG1 : rot -106:sc= -1.89! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 100:sc= -1.65! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.652 -15.254 -26.128 1.00 0.00 N ATOM 2 CA GLY A 1 -13.700 -16.259 -26.166 1.00 0.00 C ATOM 3 C GLY A 1 -14.553 -16.211 -24.896 1.00 0.00 C ATOM 4 O GLY A 1 -14.489 -15.245 -24.136 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.628 -14.743 -27.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.842 -14.583 -25.357 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.734 -15.716 -25.967 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.332 -16.097 -27.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.256 -17.249 -26.273 1.00 0.00 H new ATOM 8 N PRO A 2 -15.352 -17.293 -24.700 1.00 0.00 N ATOM 9 CA PRO A 2 -16.216 -17.384 -23.535 1.00 0.00 C ATOM 10 C PRO A 2 -15.408 -17.710 -22.278 1.00 0.00 C ATOM 11 O PRO A 2 -15.696 -17.193 -21.199 1.00 0.00 O ATOM 12 CB PRO A 2 -17.233 -18.459 -23.883 1.00 0.00 C ATOM 13 CG PRO A 2 -16.626 -19.252 -25.028 1.00 0.00 C ATOM 14 CD PRO A 2 -15.455 -18.455 -25.577 1.00 0.00 C ATOM 0 HA PRO A 2 -16.714 -16.442 -23.306 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.431 -19.101 -23.025 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.185 -18.016 -24.176 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.293 -20.230 -24.681 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.368 -19.426 -25.807 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.537 -19.042 -25.565 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.629 -18.156 -26.611 1.00 0.00 H new ATOM 22 N LEU A 3 -14.412 -18.563 -22.456 1.00 0.00 N ATOM 23 CA LEU A 3 -13.561 -18.963 -21.349 1.00 0.00 C ATOM 24 C LEU A 3 -12.367 -18.010 -21.259 1.00 0.00 C ATOM 25 O LEU A 3 -11.637 -17.830 -22.232 1.00 0.00 O ATOM 26 CB LEU A 3 -13.164 -20.436 -21.484 1.00 0.00 C ATOM 27 CG LEU A 3 -12.018 -20.736 -22.454 1.00 0.00 C ATOM 28 CD1 LEU A 3 -10.669 -20.700 -21.736 1.00 0.00 C ATOM 29 CD2 LEU A 3 -12.248 -22.063 -23.179 1.00 0.00 C ATOM 0 H LEU A 3 -14.174 -18.989 -23.352 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.102 -18.887 -20.406 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.886 -20.809 -20.498 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.040 -21.000 -21.803 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.998 -19.954 -23.213 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.872 -20.916 -22.448 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.512 -19.711 -21.305 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.659 -21.447 -20.942 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.420 -22.253 -23.862 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.309 -22.870 -22.449 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.179 -22.013 -23.743 1.00 0.00 H new ATOM 41 N GLY A 4 -12.206 -17.426 -20.082 1.00 0.00 N ATOM 42 CA GLY A 4 -11.113 -16.495 -19.851 1.00 0.00 C ATOM 43 C GLY A 4 -10.403 -16.800 -18.532 1.00 0.00 C ATOM 44 O GLY A 4 -10.941 -16.539 -17.457 1.00 0.00 O ATOM 0 H GLY A 4 -12.814 -17.579 -19.277 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.400 -16.554 -20.674 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.497 -15.475 -19.834 1.00 0.00 H new ATOM 48 N SER A 5 -9.202 -17.346 -18.656 1.00 0.00 N ATOM 49 CA SER A 5 -8.412 -17.690 -17.487 1.00 0.00 C ATOM 50 C SER A 5 -7.411 -16.574 -17.185 1.00 0.00 C ATOM 51 O SER A 5 -6.533 -16.284 -17.999 1.00 0.00 O ATOM 52 CB SER A 5 -7.680 -19.018 -17.687 1.00 0.00 C ATOM 53 OG SER A 5 -8.209 -20.051 -16.860 1.00 0.00 O ATOM 0 H SER A 5 -8.757 -17.559 -19.549 1.00 0.00 H new ATOM 0 HA SER A 5 -9.088 -17.803 -16.640 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.753 -19.318 -18.732 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.621 -18.884 -17.467 1.00 0.00 H new ATOM 0 HG SER A 5 -7.715 -20.883 -17.019 1.00 0.00 H new ATOM 59 N LEU A 6 -7.575 -15.974 -16.015 1.00 0.00 N ATOM 60 CA LEU A 6 -6.697 -14.895 -15.597 1.00 0.00 C ATOM 61 C LEU A 6 -7.032 -14.500 -14.157 1.00 0.00 C ATOM 62 O LEU A 6 -6.281 -14.809 -13.233 1.00 0.00 O ATOM 63 CB LEU A 6 -6.770 -13.730 -16.586 1.00 0.00 C ATOM 64 CG LEU A 6 -5.470 -12.955 -16.806 1.00 0.00 C ATOM 65 CD1 LEU A 6 -4.362 -13.877 -17.321 1.00 0.00 C ATOM 66 CD2 LEU A 6 -5.696 -11.758 -17.732 1.00 0.00 C ATOM 0 H LEU A 6 -8.304 -16.215 -15.343 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.658 -15.225 -15.605 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.107 -14.117 -17.548 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.532 -13.032 -16.239 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.140 -12.561 -15.845 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.449 -13.301 -17.469 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.179 -14.667 -16.593 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.669 -14.320 -18.268 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.756 -11.224 -17.872 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.062 -12.109 -18.697 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.431 -11.088 -17.287 1.00 0.00 H new ATOM 78 N ARG A 7 -8.161 -13.822 -14.010 1.00 0.00 N ATOM 79 CA ARG A 7 -8.604 -13.382 -12.697 1.00 0.00 C ATOM 80 C ARG A 7 -7.445 -12.741 -11.934 1.00 0.00 C ATOM 81 O ARG A 7 -6.657 -13.438 -11.295 1.00 0.00 O ATOM 82 CB ARG A 7 -9.160 -14.552 -11.883 1.00 0.00 C ATOM 83 CG ARG A 7 -10.538 -14.973 -12.395 1.00 0.00 C ATOM 84 CD ARG A 7 -10.458 -16.292 -13.167 1.00 0.00 C ATOM 85 NE ARG A 7 -10.305 -17.422 -12.223 1.00 0.00 N ATOM 86 CZ ARG A 7 -10.063 -18.686 -12.598 1.00 0.00 C ATOM 87 NH1 ARG A 7 -9.944 -18.988 -13.898 1.00 0.00 N ATOM 88 NH2 ARG A 7 -9.939 -19.647 -11.672 1.00 0.00 N ATOM 0 H ARG A 7 -8.782 -13.567 -14.778 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.397 -12.648 -12.842 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.474 -15.397 -11.940 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.230 -14.268 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.224 -15.080 -11.555 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.943 -14.194 -13.041 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.358 -16.427 -13.766 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.615 -16.268 -13.858 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.389 -17.227 -11.225 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.038 -18.256 -14.602 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.760 -19.950 -14.183 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.029 -19.416 -10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.755 -20.609 -11.957 1.00 0.00 H new ATOM 102 N LYS A 8 -7.378 -11.421 -12.024 1.00 0.00 N ATOM 103 CA LYS A 8 -6.327 -10.677 -11.348 1.00 0.00 C ATOM 104 C LYS A 8 -6.835 -10.212 -9.982 1.00 0.00 C ATOM 105 O LYS A 8 -7.337 -9.097 -9.848 1.00 0.00 O ATOM 106 CB LYS A 8 -5.821 -9.539 -12.236 1.00 0.00 C ATOM 107 CG LYS A 8 -4.352 -9.225 -11.940 1.00 0.00 C ATOM 108 CD LYS A 8 -3.429 -9.939 -12.932 1.00 0.00 C ATOM 109 CE LYS A 8 -2.261 -10.609 -12.207 1.00 0.00 C ATOM 110 NZ LYS A 8 -1.026 -9.809 -12.362 1.00 0.00 N ATOM 0 H LYS A 8 -8.034 -10.847 -12.554 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.463 -11.317 -11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.934 -9.813 -13.285 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.427 -8.648 -12.073 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.188 -8.149 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.108 -9.533 -10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.995 -10.687 -13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.048 -9.223 -13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.498 -10.721 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.104 -11.611 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.243 -10.279 -11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.792 -9.724 -13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.173 -8.861 -11.960 1.00 0.00 H new ATOM 124 N GLU A 9 -6.688 -11.091 -9.001 1.00 0.00 N ATOM 125 CA GLU A 9 -7.126 -10.785 -7.649 1.00 0.00 C ATOM 126 C GLU A 9 -6.517 -9.461 -7.182 1.00 0.00 C ATOM 127 O GLU A 9 -7.232 -8.576 -6.711 1.00 0.00 O ATOM 128 CB GLU A 9 -6.773 -11.919 -6.688 1.00 0.00 C ATOM 129 CG GLU A 9 -7.977 -12.300 -5.822 1.00 0.00 C ATOM 130 CD GLU A 9 -8.212 -11.262 -4.723 1.00 0.00 C ATOM 131 OE1 GLU A 9 -7.553 -11.395 -3.670 1.00 0.00 O ATOM 132 OE2 GLU A 9 -9.046 -10.362 -4.961 1.00 0.00 O ATOM 0 H GLU A 9 -6.272 -12.015 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.211 -10.683 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.438 -12.788 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.943 -11.615 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.867 -12.382 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.811 -13.279 -5.373 1.00 0.00 H new ATOM 139 N PRO A 10 -5.168 -9.363 -7.332 1.00 0.00 N ATOM 140 CA PRO A 10 -4.456 -8.162 -6.930 1.00 0.00 C ATOM 141 C PRO A 10 -4.683 -7.029 -7.931 1.00 0.00 C ATOM 142 O PRO A 10 -5.272 -7.241 -8.992 1.00 0.00 O ATOM 143 CB PRO A 10 -3.000 -8.585 -6.830 1.00 0.00 C ATOM 144 CG PRO A 10 -2.884 -9.876 -7.625 1.00 0.00 C ATOM 145 CD PRO A 10 -4.291 -10.390 -7.885 1.00 0.00 C ATOM 0 HA PRO A 10 -4.807 -7.762 -5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.342 -7.817 -7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.709 -8.739 -5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.362 -9.700 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.304 -10.614 -7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.470 -10.532 -8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.456 -11.354 -7.403 1.00 0.00 H new ATOM 153 N GLU A 11 -4.205 -5.850 -7.562 1.00 0.00 N ATOM 154 CA GLU A 11 -4.349 -4.683 -8.415 1.00 0.00 C ATOM 155 C GLU A 11 -3.414 -3.565 -7.946 1.00 0.00 C ATOM 156 O GLU A 11 -3.000 -3.542 -6.789 1.00 0.00 O ATOM 157 CB GLU A 11 -5.802 -4.203 -8.448 1.00 0.00 C ATOM 158 CG GLU A 11 -6.170 -3.477 -7.153 1.00 0.00 C ATOM 159 CD GLU A 11 -7.561 -2.847 -7.254 1.00 0.00 C ATOM 160 OE1 GLU A 11 -8.507 -3.606 -7.555 1.00 0.00 O ATOM 161 OE2 GLU A 11 -7.645 -1.620 -7.031 1.00 0.00 O ATOM 0 H GLU A 11 -3.717 -5.678 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.070 -4.963 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.949 -3.536 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.467 -5.055 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.144 -4.178 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.431 -2.704 -6.943 1.00 0.00 H new ATOM 168 N ILE A 12 -3.110 -2.666 -8.871 1.00 0.00 N ATOM 169 CA ILE A 12 -2.232 -1.550 -8.568 1.00 0.00 C ATOM 170 C ILE A 12 -3.076 -0.320 -8.226 1.00 0.00 C ATOM 171 O ILE A 12 -3.985 0.041 -8.974 1.00 0.00 O ATOM 172 CB ILE A 12 -1.245 -1.318 -9.714 1.00 0.00 C ATOM 173 CG1 ILE A 12 -0.219 -0.244 -9.346 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.980 -0.986 -11.014 1.00 0.00 C ATOM 175 CD1 ILE A 12 -0.764 1.158 -9.638 1.00 0.00 C ATOM 0 H ILE A 12 -3.456 -2.688 -9.830 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.622 -1.773 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.696 -2.244 -9.883 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.036 -0.326 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.700 -0.406 -9.909 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.254 -0.826 -11.812 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.637 -1.813 -11.282 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.573 -0.082 -10.876 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.016 1.903 -9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.995 1.245 -10.700 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.669 1.325 -9.055 1.00 0.00 H new ATOM 187 N ILE A 13 -2.746 0.287 -7.097 1.00 0.00 N ATOM 188 CA ILE A 13 -3.464 1.470 -6.646 1.00 0.00 C ATOM 189 C ILE A 13 -2.491 2.645 -6.548 1.00 0.00 C ATOM 190 O ILE A 13 -1.304 2.454 -6.286 1.00 0.00 O ATOM 191 CB ILE A 13 -4.211 1.178 -5.343 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.704 -0.270 -5.304 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.351 2.177 -5.130 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.708 -0.479 -4.170 1.00 0.00 C ATOM 0 H ILE A 13 -1.992 -0.016 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.230 1.751 -7.369 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.513 1.302 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.168 -0.525 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.856 -0.943 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.866 1.948 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.945 3.187 -5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.055 2.108 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.042 -1.517 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.234 -0.247 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.566 0.177 -4.318 1.00 0.00 H new ATOM 206 N THR A 14 -3.027 3.836 -6.762 1.00 0.00 N ATOM 207 CA THR A 14 -2.221 5.044 -6.702 1.00 0.00 C ATOM 208 C THR A 14 -2.857 6.063 -5.755 1.00 0.00 C ATOM 209 O THR A 14 -3.959 6.548 -6.008 1.00 0.00 O ATOM 210 CB THR A 14 -2.044 5.568 -8.128 1.00 0.00 C ATOM 211 OG1 THR A 14 -3.288 6.203 -8.421 1.00 0.00 O ATOM 212 CG2 THR A 14 -1.951 4.441 -9.158 1.00 0.00 C ATOM 0 H THR A 14 -4.012 3.992 -6.978 1.00 0.00 H new ATOM 0 HA THR A 14 -1.232 4.838 -6.292 1.00 0.00 H new ATOM 0 HB THR A 14 -1.146 6.183 -8.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.887 6.120 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.826 4.867 -10.153 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.097 3.805 -8.926 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.864 3.846 -9.130 1.00 0.00 H new ATOM 220 N VAL A 15 -2.136 6.357 -4.683 1.00 0.00 N ATOM 221 CA VAL A 15 -2.617 7.309 -3.695 1.00 0.00 C ATOM 222 C VAL A 15 -1.768 8.581 -3.765 1.00 0.00 C ATOM 223 O VAL A 15 -0.619 8.588 -3.329 1.00 0.00 O ATOM 224 CB VAL A 15 -2.620 6.667 -2.307 1.00 0.00 C ATOM 225 CG1 VAL A 15 -3.949 6.912 -1.592 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.312 5.171 -2.394 1.00 0.00 C ATOM 0 H VAL A 15 -1.222 5.953 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.648 7.593 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.832 7.138 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.924 6.445 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.110 7.984 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.762 6.482 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.320 4.739 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.067 4.679 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.329 5.027 -2.843 1.00 0.00 H new ATOM 236 N THR A 16 -2.369 9.626 -4.316 1.00 0.00 N ATOM 237 CA THR A 16 -1.681 10.899 -4.448 1.00 0.00 C ATOM 238 C THR A 16 -1.858 11.734 -3.178 1.00 0.00 C ATOM 239 O THR A 16 -2.779 11.495 -2.397 1.00 0.00 O ATOM 240 CB THR A 16 -2.205 11.590 -5.708 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.964 10.646 -6.748 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.362 12.804 -6.104 1.00 0.00 C ATOM 0 H THR A 16 -3.323 9.617 -4.676 1.00 0.00 H new ATOM 0 HA THR A 16 -0.606 10.759 -4.560 1.00 0.00 H new ATOM 0 HB THR A 16 -3.237 11.902 -5.548 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.276 11.013 -7.602 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.777 13.257 -7.004 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.371 13.533 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.337 12.488 -6.297 1.00 0.00 H new ATOM 250 N LEU A 17 -0.962 12.697 -3.011 1.00 0.00 N ATOM 251 CA LEU A 17 -1.009 13.569 -1.850 1.00 0.00 C ATOM 252 C LEU A 17 -1.829 14.816 -2.186 1.00 0.00 C ATOM 253 O LEU A 17 -1.355 15.701 -2.898 1.00 0.00 O ATOM 254 CB LEU A 17 0.405 13.878 -1.355 1.00 0.00 C ATOM 255 CG LEU A 17 1.033 12.836 -0.425 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.695 13.507 0.781 1.00 0.00 C ATOM 257 CD2 LEU A 17 0.003 11.788 -0.002 1.00 0.00 C ATOM 0 H LEU A 17 -0.200 12.892 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.511 13.071 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.054 14.000 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.385 14.836 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 17 1.816 12.315 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.133 12.745 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.476 14.185 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.947 14.069 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.475 11.060 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.818 12.276 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.383 11.280 -0.886 1.00 0.00 H new ATOM 269 N LYS A 18 -3.043 14.846 -1.659 1.00 0.00 N ATOM 270 CA LYS A 18 -3.934 15.971 -1.895 1.00 0.00 C ATOM 271 C LYS A 18 -3.662 17.058 -0.853 1.00 0.00 C ATOM 272 O LYS A 18 -3.432 18.214 -1.201 1.00 0.00 O ATOM 273 CB LYS A 18 -5.389 15.502 -1.931 1.00 0.00 C ATOM 274 CG LYS A 18 -6.307 16.605 -2.466 1.00 0.00 C ATOM 275 CD LYS A 18 -6.778 16.284 -3.886 1.00 0.00 C ATOM 276 CE LYS A 18 -7.589 17.444 -4.468 1.00 0.00 C ATOM 277 NZ LYS A 18 -7.379 17.539 -5.931 1.00 0.00 N ATOM 0 H LYS A 18 -3.432 14.110 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.742 16.412 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.474 14.616 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.707 15.213 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.170 16.716 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.778 17.558 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.916 16.082 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.386 15.379 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.648 17.298 -4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.293 18.378 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.936 18.331 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.370 17.700 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.683 16.653 -6.384 1.00 0.00 H new ATOM 291 N LYS A 19 -3.698 16.646 0.407 1.00 0.00 N ATOM 292 CA LYS A 19 -3.458 17.570 1.502 1.00 0.00 C ATOM 293 C LYS A 19 -1.988 17.493 1.916 1.00 0.00 C ATOM 294 O LYS A 19 -1.546 18.235 2.793 1.00 0.00 O ATOM 295 CB LYS A 19 -4.435 17.306 2.649 1.00 0.00 C ATOM 296 CG LYS A 19 -4.232 18.310 3.786 1.00 0.00 C ATOM 297 CD LYS A 19 -5.349 18.196 4.826 1.00 0.00 C ATOM 298 CE LYS A 19 -6.234 19.443 4.818 1.00 0.00 C ATOM 299 NZ LYS A 19 -5.947 20.289 5.999 1.00 0.00 N ATOM 0 H LYS A 19 -3.890 15.686 0.693 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.646 18.595 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.459 17.370 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.294 16.293 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.268 18.135 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.209 19.322 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.955 17.314 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.916 18.059 5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.062 20.013 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.284 19.151 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.556 21.132 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.133 19.748 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.949 20.583 5.982 1.00 0.00 H new ATOM 313 N GLN A 20 -1.269 16.587 1.269 1.00 0.00 N ATOM 314 CA GLN A 20 0.142 16.404 1.559 1.00 0.00 C ATOM 315 C GLN A 20 0.353 16.201 3.061 1.00 0.00 C ATOM 316 O GLN A 20 1.297 16.739 3.638 1.00 0.00 O ATOM 317 CB GLN A 20 0.966 17.586 1.044 1.00 0.00 C ATOM 318 CG GLN A 20 1.755 17.198 -0.208 1.00 0.00 C ATOM 319 CD GLN A 20 2.371 18.432 -0.872 1.00 0.00 C ATOM 320 OE1 GLN A 20 1.819 19.017 -1.790 1.00 0.00 O ATOM 321 NE2 GLN A 20 3.542 18.796 -0.358 1.00 0.00 N ATOM 0 H GLN A 20 -1.638 15.972 0.544 1.00 0.00 H new ATOM 0 HA GLN A 20 0.487 15.510 1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.306 18.423 0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.652 17.922 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.542 16.493 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.097 16.691 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.950 18.263 0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.033 19.608 -0.732 1.00 0.00 H new ATOM 330 N ASN A 21 -0.543 15.426 3.652 1.00 0.00 N ATOM 331 CA ASN A 21 -0.468 15.146 5.077 1.00 0.00 C ATOM 332 C ASN A 21 0.234 13.801 5.291 1.00 0.00 C ATOM 333 O ASN A 21 -0.318 12.904 5.926 1.00 0.00 O ATOM 334 CB ASN A 21 -1.863 15.055 5.695 1.00 0.00 C ATOM 335 CG ASN A 21 -1.780 14.852 7.210 1.00 0.00 C ATOM 336 OD1 ASN A 21 -0.773 14.423 7.750 1.00 0.00 O ATOM 337 ND2 ASN A 21 -2.889 15.185 7.862 1.00 0.00 N ATOM 0 H ASN A 21 -1.325 14.982 3.171 1.00 0.00 H new ATOM 0 HA ASN A 21 0.083 15.957 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.421 15.965 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.411 14.228 5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.933 15.088 8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.696 15.538 7.348 1.00 0.00 H new ATOM 344 N GLY A 22 1.440 13.705 4.750 1.00 0.00 N ATOM 345 CA GLY A 22 2.219 12.488 4.873 1.00 0.00 C ATOM 346 C GLY A 22 1.583 11.343 4.081 1.00 0.00 C ATOM 347 O GLY A 22 2.093 10.949 3.034 1.00 0.00 O ATOM 0 H GLY A 22 1.895 14.452 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.233 12.664 4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.298 12.208 5.923 1.00 0.00 H new ATOM 351 N MET A 23 0.476 10.845 4.612 1.00 0.00 N ATOM 352 CA MET A 23 -0.238 9.756 3.968 1.00 0.00 C ATOM 353 C MET A 23 -1.251 9.121 4.924 1.00 0.00 C ATOM 354 O MET A 23 -2.454 9.164 4.676 1.00 0.00 O ATOM 355 CB MET A 23 0.763 8.693 3.506 1.00 0.00 C ATOM 356 CG MET A 23 0.772 8.575 1.980 1.00 0.00 C ATOM 357 SD MET A 23 2.438 8.746 1.365 1.00 0.00 S ATOM 358 CE MET A 23 2.967 7.041 1.422 1.00 0.00 C ATOM 0 H MET A 23 0.056 11.176 5.481 1.00 0.00 H new ATOM 0 HA MET A 23 -0.779 10.158 3.111 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.761 8.950 3.860 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.506 7.730 3.947 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.362 7.611 1.679 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.134 9.343 1.544 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.947 6.948 0.954 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.028 6.714 2.460 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.249 6.419 0.887 1.00 0.00 H new ATOM 368 N GLY A 24 -0.726 8.547 5.997 1.00 0.00 N ATOM 369 CA GLY A 24 -1.569 7.905 6.991 1.00 0.00 C ATOM 370 C GLY A 24 -1.661 6.398 6.740 1.00 0.00 C ATOM 371 O GLY A 24 -2.109 5.649 7.605 1.00 0.00 O ATOM 0 H GLY A 24 0.273 8.513 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.166 8.088 7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.567 8.343 6.965 1.00 0.00 H new ATOM 375 N LEU A 25 -1.231 6.000 5.551 1.00 0.00 N ATOM 376 CA LEU A 25 -1.260 4.596 5.177 1.00 0.00 C ATOM 377 C LEU A 25 -0.444 3.787 6.186 1.00 0.00 C ATOM 378 O LEU A 25 0.486 4.308 6.799 1.00 0.00 O ATOM 379 CB LEU A 25 -0.797 4.419 3.729 1.00 0.00 C ATOM 380 CG LEU A 25 -1.839 4.720 2.651 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.724 3.734 1.485 1.00 0.00 C ATOM 382 CD2 LEU A 25 -3.249 4.746 3.242 1.00 0.00 C ATOM 0 H LEU A 25 -0.861 6.625 4.835 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.280 4.213 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.066 5.064 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.456 3.392 3.600 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.639 5.715 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.476 3.971 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.731 3.809 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.882 2.719 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.970 4.962 2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.476 3.776 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.308 5.518 4.009 1.00 0.00 H new ATOM 394 N SER A 26 -0.824 2.525 6.330 1.00 0.00 N ATOM 395 CA SER A 26 -0.140 1.638 7.255 1.00 0.00 C ATOM 396 C SER A 26 -0.098 0.219 6.686 1.00 0.00 C ATOM 397 O SER A 26 -1.125 -0.458 6.621 1.00 0.00 O ATOM 398 CB SER A 26 -0.818 1.643 8.625 1.00 0.00 C ATOM 399 OG SER A 26 -1.356 2.920 8.952 1.00 0.00 O ATOM 0 H SER A 26 -1.597 2.096 5.821 1.00 0.00 H new ATOM 0 HA SER A 26 0.880 1.999 7.384 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.616 0.900 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.097 1.348 9.387 1.00 0.00 H new ATOM 0 HG SER A 26 -2.095 3.129 8.343 1.00 0.00 H new ATOM 405 N ILE A 27 1.096 -0.192 6.286 1.00 0.00 N ATOM 406 CA ILE A 27 1.282 -1.518 5.724 1.00 0.00 C ATOM 407 C ILE A 27 2.403 -2.233 6.480 1.00 0.00 C ATOM 408 O ILE A 27 3.108 -1.621 7.282 1.00 0.00 O ATOM 409 CB ILE A 27 1.516 -1.433 4.215 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.011 -1.439 3.890 1.00 0.00 C ATOM 411 CG2 ILE A 27 0.804 -0.217 3.618 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.243 -1.523 2.380 1.00 0.00 C ATOM 0 H ILE A 27 1.945 0.371 6.340 1.00 0.00 H new ATOM 0 HA ILE A 27 0.379 -2.115 5.850 1.00 0.00 H new ATOM 0 HB ILE A 27 1.083 -2.320 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.476 -0.535 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.491 -2.285 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.986 -0.180 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.267 -0.296 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.185 0.692 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.314 -1.526 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.798 -2.440 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.783 -0.663 1.893 1.00 0.00 H new ATOM 424 N VAL A 28 2.536 -3.522 6.200 1.00 0.00 N ATOM 425 CA VAL A 28 3.559 -4.327 6.843 1.00 0.00 C ATOM 426 C VAL A 28 3.967 -5.467 5.908 1.00 0.00 C ATOM 427 O VAL A 28 3.200 -5.861 5.030 1.00 0.00 O ATOM 428 CB VAL A 28 3.058 -4.820 8.204 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.747 -6.128 8.599 1.00 0.00 C ATOM 430 CG2 VAL A 28 3.256 -3.749 9.279 1.00 0.00 C ATOM 0 H VAL A 28 1.951 -4.028 5.535 1.00 0.00 H new ATOM 0 HA VAL A 28 4.450 -3.730 7.036 1.00 0.00 H new ATOM 0 HB VAL A 28 1.989 -5.017 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.374 -6.457 9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.535 -6.891 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.824 -5.968 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.893 -4.123 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.316 -3.508 9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.701 -2.852 9.005 1.00 0.00 H new ATOM 440 N ALA A 29 5.175 -5.968 6.128 1.00 0.00 N ATOM 441 CA ALA A 29 5.693 -7.055 5.316 1.00 0.00 C ATOM 442 C ALA A 29 6.131 -8.201 6.228 1.00 0.00 C ATOM 443 O ALA A 29 6.761 -7.975 7.259 1.00 0.00 O ATOM 444 CB ALA A 29 6.835 -6.537 4.439 1.00 0.00 C ATOM 0 H ALA A 29 5.809 -5.641 6.857 1.00 0.00 H new ATOM 0 HA ALA A 29 4.921 -7.440 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.224 -7.352 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.464 -5.744 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.631 -6.145 5.072 1.00 0.00 H new ATOM 450 N ALA A 30 5.781 -9.411 5.814 1.00 0.00 N ATOM 451 CA ALA A 30 6.130 -10.595 6.582 1.00 0.00 C ATOM 452 C ALA A 30 7.147 -11.425 5.796 1.00 0.00 C ATOM 453 O ALA A 30 6.772 -12.328 5.049 1.00 0.00 O ATOM 454 CB ALA A 30 4.861 -11.384 6.910 1.00 0.00 C ATOM 0 H ALA A 30 5.260 -9.597 4.957 1.00 0.00 H new ATOM 0 HA ALA A 30 6.593 -10.316 7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.123 -12.272 7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.185 -10.759 7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.370 -11.684 5.984 1.00 0.00 H new ATOM 460 N LYS A 31 8.414 -11.090 5.990 1.00 0.00 N ATOM 461 CA LYS A 31 9.487 -11.793 5.309 1.00 0.00 C ATOM 462 C LYS A 31 10.193 -12.722 6.299 1.00 0.00 C ATOM 463 O LYS A 31 10.405 -12.355 7.455 1.00 0.00 O ATOM 464 CB LYS A 31 10.428 -10.799 4.623 1.00 0.00 C ATOM 465 CG LYS A 31 11.021 -9.816 5.633 1.00 0.00 C ATOM 466 CD LYS A 31 10.379 -8.433 5.497 1.00 0.00 C ATOM 467 CE LYS A 31 10.306 -7.728 6.851 1.00 0.00 C ATOM 468 NZ LYS A 31 11.654 -7.295 7.283 1.00 0.00 N ATOM 0 H LYS A 31 8.721 -10.340 6.610 1.00 0.00 H new ATOM 0 HA LYS A 31 9.085 -12.420 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.231 -11.340 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.885 -10.251 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.869 -10.193 6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.097 -9.737 5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.956 -7.827 4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.377 -8.533 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.645 -6.864 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.877 -8.400 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.602 -6.910 8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.301 -8.109 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.007 -6.561 6.636 1.00 0.00 H new ATOM 482 N GLY A 32 10.536 -13.903 5.811 1.00 0.00 N ATOM 483 CA GLY A 32 11.212 -14.888 6.639 1.00 0.00 C ATOM 484 C GLY A 32 10.321 -15.329 7.804 1.00 0.00 C ATOM 485 O GLY A 32 10.305 -14.688 8.853 1.00 0.00 O ATOM 0 H GLY A 32 10.359 -14.202 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.481 -15.754 6.034 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.141 -14.468 7.025 1.00 0.00 H new ATOM 489 N ALA A 33 9.606 -16.420 7.580 1.00 0.00 N ATOM 490 CA ALA A 33 8.717 -16.953 8.597 1.00 0.00 C ATOM 491 C ALA A 33 8.616 -18.472 8.433 1.00 0.00 C ATOM 492 O ALA A 33 8.161 -18.961 7.400 1.00 0.00 O ATOM 493 CB ALA A 33 7.354 -16.265 8.498 1.00 0.00 C ATOM 0 H ALA A 33 9.624 -16.950 6.709 1.00 0.00 H new ATOM 0 HA ALA A 33 9.111 -16.753 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.688 -16.666 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.476 -15.192 8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.926 -16.446 7.512 1.00 0.00 H new ATOM 499 N GLY A 34 9.046 -19.177 9.469 1.00 0.00 N ATOM 500 CA GLY A 34 9.010 -20.630 9.454 1.00 0.00 C ATOM 501 C GLY A 34 10.027 -21.192 8.458 1.00 0.00 C ATOM 502 O GLY A 34 11.112 -21.620 8.849 1.00 0.00 O ATOM 0 H GLY A 34 9.421 -18.769 10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.223 -21.013 10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.009 -20.970 9.189 1.00 0.00 H new ATOM 506 N GLN A 35 9.639 -21.176 7.192 1.00 0.00 N ATOM 507 CA GLN A 35 10.503 -21.680 6.138 1.00 0.00 C ATOM 508 C GLN A 35 10.636 -20.644 5.021 1.00 0.00 C ATOM 509 O GLN A 35 10.335 -20.930 3.863 1.00 0.00 O ATOM 510 CB GLN A 35 9.982 -23.011 5.591 1.00 0.00 C ATOM 511 CG GLN A 35 10.792 -24.185 6.147 1.00 0.00 C ATOM 512 CD GLN A 35 12.186 -24.237 5.518 1.00 0.00 C ATOM 513 OE1 GLN A 35 12.425 -23.734 4.433 1.00 0.00 O ATOM 514 NE2 GLN A 35 13.089 -24.874 6.259 1.00 0.00 N ATOM 0 H GLN A 35 8.738 -20.822 6.872 1.00 0.00 H new ATOM 0 HA GLN A 35 11.491 -21.860 6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.931 -23.131 5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.038 -23.008 4.502 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.881 -24.090 7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.266 -25.119 5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.821 -25.272 7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.049 -24.964 5.927 1.00 0.00 H new ATOM 523 N ASP A 36 11.089 -19.459 5.406 1.00 0.00 N ATOM 524 CA ASP A 36 11.267 -18.378 4.451 1.00 0.00 C ATOM 525 C ASP A 36 9.904 -17.973 3.887 1.00 0.00 C ATOM 526 O ASP A 36 9.259 -18.756 3.192 1.00 0.00 O ATOM 527 CB ASP A 36 12.151 -18.817 3.281 1.00 0.00 C ATOM 528 CG ASP A 36 13.461 -19.500 3.682 1.00 0.00 C ATOM 529 OD1 ASP A 36 13.937 -19.205 4.799 1.00 0.00 O ATOM 530 OD2 ASP A 36 13.955 -20.302 2.860 1.00 0.00 O ATOM 0 H ASP A 36 11.338 -19.224 6.367 1.00 0.00 H new ATOM 0 HA ASP A 36 11.742 -17.545 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.581 -19.499 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.385 -17.943 2.674 1.00 0.00 H new ATOM 535 N LYS A 37 9.506 -16.751 4.209 1.00 0.00 N ATOM 536 CA LYS A 37 8.231 -16.232 3.743 1.00 0.00 C ATOM 537 C LYS A 37 8.425 -14.808 3.220 1.00 0.00 C ATOM 538 O LYS A 37 9.542 -14.291 3.214 1.00 0.00 O ATOM 539 CB LYS A 37 7.173 -16.345 4.842 1.00 0.00 C ATOM 540 CG LYS A 37 5.831 -16.800 4.265 1.00 0.00 C ATOM 541 CD LYS A 37 5.379 -18.114 4.901 1.00 0.00 C ATOM 542 CE LYS A 37 5.778 -19.310 4.034 1.00 0.00 C ATOM 543 NZ LYS A 37 4.595 -19.868 3.343 1.00 0.00 N ATOM 0 H LYS A 37 10.044 -16.105 4.787 1.00 0.00 H new ATOM 0 HA LYS A 37 7.858 -16.829 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.506 -17.053 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.052 -15.381 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.078 -16.031 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.919 -16.925 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.823 -18.214 5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.297 -18.103 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.523 -19.002 3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.240 -20.078 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.884 -20.679 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.897 -20.180 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.171 -19.138 2.736 1.00 0.00 H new ATOM 557 N LEU A 38 7.322 -14.211 2.793 1.00 0.00 N ATOM 558 CA LEU A 38 7.357 -12.855 2.270 1.00 0.00 C ATOM 559 C LEU A 38 5.956 -12.461 1.796 1.00 0.00 C ATOM 560 O LEU A 38 5.574 -12.755 0.665 1.00 0.00 O ATOM 561 CB LEU A 38 8.431 -12.728 1.188 1.00 0.00 C ATOM 562 CG LEU A 38 8.333 -11.493 0.291 1.00 0.00 C ATOM 563 CD1 LEU A 38 7.605 -10.351 1.003 1.00 0.00 C ATOM 564 CD2 LEU A 38 9.715 -11.068 -0.210 1.00 0.00 C ATOM 0 H LEU A 38 6.397 -14.642 2.798 1.00 0.00 H new ATOM 0 HA LEU A 38 7.639 -12.150 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.408 -12.725 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.390 -13.616 0.557 1.00 0.00 H new ATOM 0 HG LEU A 38 7.739 -11.755 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.550 -9.486 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.597 -10.671 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.149 -10.081 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.617 -10.188 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.354 -10.832 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.160 -11.881 -0.783 1.00 0.00 H new ATOM 576 N GLY A 39 5.230 -11.799 2.686 1.00 0.00 N ATOM 577 CA GLY A 39 3.883 -11.361 2.372 1.00 0.00 C ATOM 578 C GLY A 39 3.629 -9.947 2.901 1.00 0.00 C ATOM 579 O GLY A 39 3.768 -9.692 4.095 1.00 0.00 O ATOM 0 H GLY A 39 5.550 -11.556 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.732 -11.382 1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.161 -12.052 2.808 1.00 0.00 H new ATOM 583 N ILE A 40 3.259 -9.065 1.983 1.00 0.00 N ATOM 584 CA ILE A 40 2.985 -7.683 2.341 1.00 0.00 C ATOM 585 C ILE A 40 1.473 -7.482 2.457 1.00 0.00 C ATOM 586 O ILE A 40 0.707 -8.038 1.671 1.00 0.00 O ATOM 587 CB ILE A 40 3.659 -6.731 1.353 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.769 -7.442 0.573 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.172 -5.476 2.064 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.411 -6.501 -0.448 1.00 0.00 C ATOM 0 H ILE A 40 3.143 -9.280 0.993 1.00 0.00 H new ATOM 0 HA ILE A 40 3.413 -7.449 3.315 1.00 0.00 H new ATOM 0 HB ILE A 40 2.912 -6.409 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.528 -7.806 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.359 -8.313 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.647 -4.815 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.337 -4.957 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.898 -5.760 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.196 -7.031 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.654 -6.158 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.842 -5.643 0.068 1.00 0.00 H new ATOM 602 N TYR A 41 1.089 -6.683 3.441 1.00 0.00 N ATOM 603 CA TYR A 41 -0.318 -6.400 3.669 1.00 0.00 C ATOM 604 C TYR A 41 -0.511 -4.984 4.216 1.00 0.00 C ATOM 605 O TYR A 41 0.437 -4.364 4.694 1.00 0.00 O ATOM 606 CB TYR A 41 -0.786 -7.408 4.720 1.00 0.00 C ATOM 607 CG TYR A 41 -0.530 -8.868 4.338 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.196 -9.428 3.267 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.366 -9.625 5.066 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.955 -10.803 2.909 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.607 -10.998 4.707 1.00 0.00 C ATOM 612 CZ TYR A 41 -0.065 -11.517 3.646 1.00 0.00 C ATOM 613 OH TYR A 41 0.163 -12.816 3.307 1.00 0.00 O ATOM 0 H TYR A 41 1.727 -6.222 4.090 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.880 -6.475 2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.281 -7.196 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.853 -7.270 4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.897 -8.836 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.886 -9.187 5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.470 -11.255 2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.305 -11.601 5.268 1.00 0.00 H new ATOM 0 HH TYR A 41 0.823 -13.203 3.919 1.00 0.00 H new ATOM 623 N VAL A 42 -1.747 -4.514 4.129 1.00 0.00 N ATOM 624 CA VAL A 42 -2.076 -3.183 4.611 1.00 0.00 C ATOM 625 C VAL A 42 -2.738 -3.292 5.986 1.00 0.00 C ATOM 626 O VAL A 42 -3.752 -3.969 6.140 1.00 0.00 O ATOM 627 CB VAL A 42 -2.949 -2.456 3.583 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.532 -1.171 4.173 1.00 0.00 C ATOM 629 CG2 VAL A 42 -2.162 -2.166 2.303 1.00 0.00 C ATOM 0 H VAL A 42 -2.532 -5.031 3.732 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.172 -2.586 4.732 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.780 -3.112 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.148 -0.673 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.143 -1.414 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.721 -0.508 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.805 -1.650 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.303 -1.538 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.817 -3.104 1.868 1.00 0.00 H new ATOM 639 N LYS A 43 -2.135 -2.613 6.951 1.00 0.00 N ATOM 640 CA LYS A 43 -2.653 -2.626 8.310 1.00 0.00 C ATOM 641 C LYS A 43 -3.898 -1.740 8.384 1.00 0.00 C ATOM 642 O LYS A 43 -4.926 -2.152 8.916 1.00 0.00 O ATOM 643 CB LYS A 43 -1.558 -2.232 9.302 1.00 0.00 C ATOM 644 CG LYS A 43 -2.120 -2.118 10.722 1.00 0.00 C ATOM 645 CD LYS A 43 -1.845 -0.732 11.311 1.00 0.00 C ATOM 646 CE LYS A 43 -2.346 -0.641 12.754 1.00 0.00 C ATOM 647 NZ LYS A 43 -1.211 -0.470 13.686 1.00 0.00 N ATOM 0 H LYS A 43 -1.294 -2.051 6.820 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.961 -3.633 8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.760 -2.974 9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.117 -1.281 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.194 -2.305 10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.672 -2.882 11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.775 -0.525 11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.335 0.029 10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.036 0.197 12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.902 -1.543 13.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.568 -0.410 14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.568 -1.283 13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.698 0.403 13.451 1.00 0.00 H new ATOM 661 N SER A 44 -3.763 -0.538 7.842 1.00 0.00 N ATOM 662 CA SER A 44 -4.865 0.410 7.841 1.00 0.00 C ATOM 663 C SER A 44 -4.329 1.833 7.672 1.00 0.00 C ATOM 664 O SER A 44 -3.121 2.040 7.588 1.00 0.00 O ATOM 665 CB SER A 44 -5.687 0.299 9.125 1.00 0.00 C ATOM 666 OG SER A 44 -4.862 0.296 10.289 1.00 0.00 O ATOM 0 H SER A 44 -2.908 -0.199 7.401 1.00 0.00 H new ATOM 0 HA SER A 44 -5.520 0.174 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.388 1.132 9.180 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.280 -0.615 9.098 1.00 0.00 H new ATOM 0 HG SER A 44 -5.424 0.225 11.088 1.00 0.00 H new ATOM 672 N VAL A 45 -5.258 2.779 7.629 1.00 0.00 N ATOM 673 CA VAL A 45 -4.896 4.176 7.471 1.00 0.00 C ATOM 674 C VAL A 45 -4.940 4.867 8.836 1.00 0.00 C ATOM 675 O VAL A 45 -5.790 4.551 9.668 1.00 0.00 O ATOM 676 CB VAL A 45 -5.807 4.839 6.437 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.307 6.244 6.087 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.930 3.975 5.181 1.00 0.00 C ATOM 0 H VAL A 45 -6.260 2.604 7.701 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.878 4.266 7.093 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.799 4.935 6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.972 6.694 5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.293 6.860 6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.300 6.180 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.583 4.469 4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.944 3.834 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.351 3.005 5.446 1.00 0.00 H new ATOM 688 N VAL A 46 -4.011 5.793 9.024 1.00 0.00 N ATOM 689 CA VAL A 46 -3.934 6.532 10.274 1.00 0.00 C ATOM 690 C VAL A 46 -5.254 7.266 10.511 1.00 0.00 C ATOM 691 O VAL A 46 -5.781 7.261 11.623 1.00 0.00 O ATOM 692 CB VAL A 46 -2.725 7.467 10.255 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.826 8.518 11.362 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.418 6.678 10.367 1.00 0.00 C ATOM 0 H VAL A 46 -3.306 6.049 8.333 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.788 5.850 11.112 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.721 7.988 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.953 9.170 11.326 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.729 9.112 11.219 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.868 8.022 12.332 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.574 7.368 10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.411 6.117 11.302 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.337 5.987 9.528 1.00 0.00 H new ATOM 704 N LYS A 47 -5.752 7.880 9.448 1.00 0.00 N ATOM 705 CA LYS A 47 -7.002 8.617 9.526 1.00 0.00 C ATOM 706 C LYS A 47 -6.700 10.110 9.657 1.00 0.00 C ATOM 707 O LYS A 47 -7.547 10.882 10.106 1.00 0.00 O ATOM 708 CB LYS A 47 -7.880 8.066 10.653 1.00 0.00 C ATOM 709 CG LYS A 47 -9.354 8.392 10.407 1.00 0.00 C ATOM 710 CD LYS A 47 -10.023 7.302 9.563 1.00 0.00 C ATOM 711 CE LYS A 47 -11.422 7.733 9.121 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.793 7.068 7.854 1.00 0.00 N ATOM 0 H LYS A 47 -5.312 7.882 8.528 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.579 8.486 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.750 6.986 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.564 8.490 11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.873 8.489 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.438 9.353 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.411 7.088 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.088 6.379 10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.147 7.483 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.452 8.815 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.746 7.372 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.110 7.327 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.784 6.037 7.988 1.00 0.00 H new ATOM 726 N GLY A 48 -5.491 10.475 9.257 1.00 0.00 N ATOM 727 CA GLY A 48 -5.066 11.862 9.324 1.00 0.00 C ATOM 728 C GLY A 48 -3.956 12.146 8.310 1.00 0.00 C ATOM 729 O GLY A 48 -2.978 12.822 8.627 1.00 0.00 O ATOM 0 H GLY A 48 -4.791 9.833 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.916 12.516 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.712 12.089 10.329 1.00 0.00 H new ATOM 733 N GLY A 49 -4.142 11.615 7.111 1.00 0.00 N ATOM 734 CA GLY A 49 -3.167 11.802 6.050 1.00 0.00 C ATOM 735 C GLY A 49 -3.854 12.189 4.738 1.00 0.00 C ATOM 736 O GLY A 49 -5.076 12.109 4.625 1.00 0.00 O ATOM 0 H GLY A 49 -4.954 11.055 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.457 12.578 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.596 10.884 5.909 1.00 0.00 H new ATOM 740 N ALA A 50 -3.038 12.600 3.780 1.00 0.00 N ATOM 741 CA ALA A 50 -3.550 13.001 2.480 1.00 0.00 C ATOM 742 C ALA A 50 -4.152 11.782 1.777 1.00 0.00 C ATOM 743 O ALA A 50 -5.353 11.746 1.509 1.00 0.00 O ATOM 744 CB ALA A 50 -2.429 13.649 1.666 1.00 0.00 C ATOM 0 H ALA A 50 -2.025 12.664 3.877 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.341 13.743 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.814 13.949 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.056 14.526 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.617 12.934 1.531 1.00 0.00 H new ATOM 750 N ALA A 51 -3.292 10.816 1.498 1.00 0.00 N ATOM 751 CA ALA A 51 -3.723 9.598 0.833 1.00 0.00 C ATOM 752 C ALA A 51 -4.585 8.774 1.791 1.00 0.00 C ATOM 753 O ALA A 51 -5.131 7.741 1.409 1.00 0.00 O ATOM 754 CB ALA A 51 -2.498 8.825 0.338 1.00 0.00 C ATOM 0 H ALA A 51 -2.297 10.851 1.720 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.334 9.833 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.821 7.911 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.937 9.442 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.862 8.570 1.186 1.00 0.00 H new ATOM 760 N ASP A 52 -4.681 9.263 3.019 1.00 0.00 N ATOM 761 CA ASP A 52 -5.467 8.586 4.036 1.00 0.00 C ATOM 762 C ASP A 52 -6.950 8.881 3.807 1.00 0.00 C ATOM 763 O ASP A 52 -7.761 7.962 3.704 1.00 0.00 O ATOM 764 CB ASP A 52 -5.096 9.077 5.436 1.00 0.00 C ATOM 765 CG ASP A 52 -6.279 9.280 6.385 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.097 8.338 6.482 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.343 10.372 6.989 1.00 0.00 O ATOM 0 H ASP A 52 -4.227 10.121 3.332 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.264 7.517 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.408 8.361 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.558 10.021 5.343 1.00 0.00 H new ATOM 772 N VAL A 53 -7.261 10.168 3.737 1.00 0.00 N ATOM 773 CA VAL A 53 -8.633 10.595 3.525 1.00 0.00 C ATOM 774 C VAL A 53 -8.974 10.477 2.038 1.00 0.00 C ATOM 775 O VAL A 53 -10.124 10.229 1.678 1.00 0.00 O ATOM 776 CB VAL A 53 -8.830 12.010 4.073 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.315 12.378 4.114 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.190 12.158 5.454 1.00 0.00 C ATOM 0 H VAL A 53 -6.586 10.928 3.823 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.323 9.951 4.069 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.330 12.704 3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.429 13.388 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.729 12.332 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.846 11.676 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.345 13.173 5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.647 11.450 6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.121 11.957 5.383 1.00 0.00 H new ATOM 788 N ASP A 54 -7.954 10.661 1.212 1.00 0.00 N ATOM 789 CA ASP A 54 -8.131 10.577 -0.227 1.00 0.00 C ATOM 790 C ASP A 54 -8.133 9.108 -0.652 1.00 0.00 C ATOM 791 O ASP A 54 -9.091 8.638 -1.265 1.00 0.00 O ATOM 792 CB ASP A 54 -6.989 11.281 -0.964 1.00 0.00 C ATOM 793 CG ASP A 54 -7.312 11.713 -2.396 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.145 12.635 -2.536 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.720 11.111 -3.318 1.00 0.00 O ATOM 0 H ASP A 54 -7.002 10.868 1.513 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.075 11.060 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.696 12.162 -0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.127 10.615 -0.987 1.00 0.00 H new ATOM 800 N GLY A 55 -7.052 8.424 -0.312 1.00 0.00 N ATOM 801 CA GLY A 55 -6.918 7.017 -0.650 1.00 0.00 C ATOM 802 C GLY A 55 -8.125 6.217 -0.157 1.00 0.00 C ATOM 803 O GLY A 55 -8.831 5.595 -0.951 1.00 0.00 O ATOM 0 H GLY A 55 -6.259 8.818 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.821 6.907 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.006 6.618 -0.205 1.00 0.00 H new ATOM 807 N ARG A 56 -8.325 6.257 1.153 1.00 0.00 N ATOM 808 CA ARG A 56 -9.436 5.544 1.762 1.00 0.00 C ATOM 809 C ARG A 56 -9.383 4.062 1.387 1.00 0.00 C ATOM 810 O ARG A 56 -10.405 3.467 1.048 1.00 0.00 O ATOM 811 CB ARG A 56 -10.778 6.129 1.317 1.00 0.00 C ATOM 812 CG ARG A 56 -11.928 5.548 2.139 1.00 0.00 C ATOM 813 CD ARG A 56 -12.519 6.603 3.079 1.00 0.00 C ATOM 814 NE ARG A 56 -13.602 6.007 3.893 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.849 5.802 3.448 1.00 0.00 C ATOM 816 NH1 ARG A 56 -15.178 6.142 2.197 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.766 5.256 4.259 1.00 0.00 N ATOM 0 H ARG A 56 -7.737 6.771 1.809 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.347 5.653 2.843 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.760 7.213 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.939 5.917 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.705 5.175 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.571 4.697 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.740 6.999 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.907 7.441 2.500 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.386 5.736 4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.479 6.558 1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.128 5.986 1.859 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.514 4.997 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.716 5.099 3.922 1.00 0.00 H new ATOM 831 N LEU A 57 -8.182 3.507 1.462 1.00 0.00 N ATOM 832 CA LEU A 57 -7.984 2.106 1.134 1.00 0.00 C ATOM 833 C LEU A 57 -8.595 1.238 2.237 1.00 0.00 C ATOM 834 O LEU A 57 -9.003 1.747 3.279 1.00 0.00 O ATOM 835 CB LEU A 57 -6.503 1.820 0.878 1.00 0.00 C ATOM 836 CG LEU A 57 -5.842 2.645 -0.230 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.370 2.908 0.087 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.024 1.976 -1.594 1.00 0.00 C ATOM 0 H LEU A 57 -7.337 4.003 1.745 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.499 1.855 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.955 1.989 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.395 0.764 0.631 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.339 3.614 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.924 3.496 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.292 3.457 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.842 1.959 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.545 2.582 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.569 0.986 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.087 1.883 -1.815 1.00 0.00 H new ATOM 850 N ALA A 58 -8.641 -0.059 1.966 1.00 0.00 N ATOM 851 CA ALA A 58 -9.197 -1.003 2.921 1.00 0.00 C ATOM 852 C ALA A 58 -8.069 -1.567 3.787 1.00 0.00 C ATOM 853 O ALA A 58 -6.935 -1.699 3.329 1.00 0.00 O ATOM 854 CB ALA A 58 -9.960 -2.097 2.173 1.00 0.00 C ATOM 0 H ALA A 58 -8.303 -0.478 1.100 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.906 -0.507 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.377 -2.805 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.768 -1.647 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.280 -2.620 1.500 1.00 0.00 H new ATOM 860 N ALA A 59 -8.420 -1.886 5.025 1.00 0.00 N ATOM 861 CA ALA A 59 -7.452 -2.435 5.960 1.00 0.00 C ATOM 862 C ALA A 59 -7.460 -3.961 5.860 1.00 0.00 C ATOM 863 O ALA A 59 -8.479 -4.599 6.124 1.00 0.00 O ATOM 864 CB ALA A 59 -7.770 -1.940 7.372 1.00 0.00 C ATOM 0 H ALA A 59 -9.361 -1.775 5.402 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.446 -2.096 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.044 -2.351 8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.721 -0.851 7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.772 -2.264 7.654 1.00 0.00 H new ATOM 870 N GLY A 60 -6.314 -4.504 5.479 1.00 0.00 N ATOM 871 CA GLY A 60 -6.176 -5.944 5.340 1.00 0.00 C ATOM 872 C GLY A 60 -5.832 -6.325 3.900 1.00 0.00 C ATOM 873 O GLY A 60 -6.006 -7.476 3.500 1.00 0.00 O ATOM 0 H GLY A 60 -5.471 -3.972 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.397 -6.305 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.104 -6.432 5.637 1.00 0.00 H new ATOM 877 N ASP A 61 -5.349 -5.339 3.158 1.00 0.00 N ATOM 878 CA ASP A 61 -4.978 -5.558 1.771 1.00 0.00 C ATOM 879 C ASP A 61 -3.660 -6.333 1.716 1.00 0.00 C ATOM 880 O ASP A 61 -3.003 -6.522 2.738 1.00 0.00 O ATOM 881 CB ASP A 61 -4.776 -4.229 1.038 1.00 0.00 C ATOM 882 CG ASP A 61 -5.953 -3.257 1.129 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.088 -3.753 1.297 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.691 -2.038 1.027 1.00 0.00 O ATOM 0 H ASP A 61 -5.206 -4.386 3.492 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.782 -6.116 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.889 -3.740 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.576 -4.437 -0.013 1.00 0.00 H new ATOM 889 N GLN A 62 -3.313 -6.763 0.511 1.00 0.00 N ATOM 890 CA GLN A 62 -2.086 -7.514 0.308 1.00 0.00 C ATOM 891 C GLN A 62 -1.191 -6.803 -0.709 1.00 0.00 C ATOM 892 O GLN A 62 -1.489 -6.790 -1.901 1.00 0.00 O ATOM 893 CB GLN A 62 -2.386 -8.947 -0.131 1.00 0.00 C ATOM 894 CG GLN A 62 -1.123 -9.637 -0.650 1.00 0.00 C ATOM 895 CD GLN A 62 -1.315 -11.154 -0.717 1.00 0.00 C ATOM 896 OE1 GLN A 62 -2.415 -11.672 -0.612 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.186 -11.833 -0.896 1.00 0.00 N ATOM 0 H GLN A 62 -3.861 -6.605 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.553 -7.566 1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.794 -9.510 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.148 -8.940 -0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.876 -9.254 -1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.282 -9.402 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.701 -11.336 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.207 -12.851 -0.953 1.00 0.00 H new ATOM 906 N LEU A 63 -0.110 -6.229 -0.199 1.00 0.00 N ATOM 907 CA LEU A 63 0.831 -5.519 -1.049 1.00 0.00 C ATOM 908 C LEU A 63 1.845 -6.510 -1.620 1.00 0.00 C ATOM 909 O LEU A 63 2.105 -7.553 -1.021 1.00 0.00 O ATOM 910 CB LEU A 63 1.470 -4.358 -0.284 1.00 0.00 C ATOM 911 CG LEU A 63 2.576 -3.599 -1.020 1.00 0.00 C ATOM 912 CD1 LEU A 63 2.032 -2.319 -1.660 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.760 -3.316 -0.092 1.00 0.00 C ATOM 0 H LEU A 63 0.135 -6.241 0.791 1.00 0.00 H new ATOM 0 HA LEU A 63 0.314 -5.068 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.686 -3.649 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.881 -4.745 0.648 1.00 0.00 H new ATOM 0 HG LEU A 63 2.944 -4.232 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.839 -1.799 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.249 -2.574 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.620 -1.672 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.531 -2.776 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.425 -2.713 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.168 -4.258 0.275 1.00 0.00 H new ATOM 925 N LEU A 64 2.389 -6.152 -2.774 1.00 0.00 N ATOM 926 CA LEU A 64 3.370 -6.998 -3.433 1.00 0.00 C ATOM 927 C LEU A 64 4.415 -6.118 -4.124 1.00 0.00 C ATOM 928 O LEU A 64 5.604 -6.429 -4.102 1.00 0.00 O ATOM 929 CB LEU A 64 2.677 -7.985 -4.375 1.00 0.00 C ATOM 930 CG LEU A 64 1.960 -9.159 -3.707 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.541 -9.320 -4.258 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.775 -10.448 -3.841 1.00 0.00 C ATOM 0 H LEU A 64 2.169 -5.288 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 64 3.901 -7.608 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.951 -7.436 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.422 -8.384 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 64 1.871 -8.943 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.053 -10.162 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.028 -8.410 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.586 -9.503 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.243 -11.267 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.917 -10.681 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.746 -10.315 -3.365 1.00 0.00 H new ATOM 944 N SER A 65 3.932 -5.038 -4.719 1.00 0.00 N ATOM 945 CA SER A 65 4.808 -4.112 -5.414 1.00 0.00 C ATOM 946 C SER A 65 4.748 -2.736 -4.749 1.00 0.00 C ATOM 947 O SER A 65 3.850 -2.464 -3.954 1.00 0.00 O ATOM 948 CB SER A 65 4.433 -4.002 -6.893 1.00 0.00 C ATOM 949 OG SER A 65 4.158 -2.657 -7.277 1.00 0.00 O ATOM 0 H SER A 65 2.944 -4.784 -4.734 1.00 0.00 H new ATOM 0 HA SER A 65 5.827 -4.495 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.247 -4.394 -7.503 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.559 -4.622 -7.092 1.00 0.00 H new ATOM 0 HG SER A 65 3.924 -2.630 -8.228 1.00 0.00 H new ATOM 955 N VAL A 66 5.717 -1.901 -5.099 1.00 0.00 N ATOM 956 CA VAL A 66 5.785 -0.560 -4.545 1.00 0.00 C ATOM 957 C VAL A 66 5.936 0.451 -5.685 1.00 0.00 C ATOM 958 O VAL A 66 6.229 0.073 -6.818 1.00 0.00 O ATOM 959 CB VAL A 66 6.916 -0.474 -3.518 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.282 -0.569 -4.198 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.806 0.805 -2.685 1.00 0.00 C ATOM 0 H VAL A 66 6.461 -2.128 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 66 4.863 -0.319 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 66 6.818 -1.323 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.068 -0.505 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.361 -1.520 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.392 0.250 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.622 0.840 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.864 1.673 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.853 0.814 -2.156 1.00 0.00 H new ATOM 971 N ASP A 67 5.728 1.715 -5.345 1.00 0.00 N ATOM 972 CA ASP A 67 5.839 2.781 -6.324 1.00 0.00 C ATOM 973 C ASP A 67 7.308 2.977 -6.697 1.00 0.00 C ATOM 974 O ASP A 67 8.161 3.116 -5.820 1.00 0.00 O ATOM 975 CB ASP A 67 5.311 4.102 -5.761 1.00 0.00 C ATOM 976 CG ASP A 67 6.315 4.889 -4.915 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.535 4.471 -3.758 1.00 0.00 O ATOM 978 OD2 ASP A 67 6.840 5.892 -5.445 1.00 0.00 O ATOM 0 H ASP A 67 5.483 2.024 -4.404 1.00 0.00 H new ATOM 0 HA ASP A 67 5.249 2.500 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.986 4.730 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.430 3.895 -5.154 1.00 0.00 H new ATOM 983 N GLY A 68 7.560 2.982 -7.997 1.00 0.00 N ATOM 984 CA GLY A 68 8.914 3.159 -8.496 1.00 0.00 C ATOM 985 C GLY A 68 9.657 1.823 -8.552 1.00 0.00 C ATOM 986 O GLY A 68 10.727 1.729 -9.152 1.00 0.00 O ATOM 0 H GLY A 68 6.850 2.866 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.884 3.604 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.455 3.853 -7.853 1.00 0.00 H new ATOM 990 N ARG A 69 9.060 0.824 -7.918 1.00 0.00 N ATOM 991 CA ARG A 69 9.653 -0.502 -7.888 1.00 0.00 C ATOM 992 C ARG A 69 8.560 -1.570 -7.819 1.00 0.00 C ATOM 993 O ARG A 69 7.846 -1.669 -6.822 1.00 0.00 O ATOM 994 CB ARG A 69 10.588 -0.660 -6.687 1.00 0.00 C ATOM 995 CG ARG A 69 11.451 0.588 -6.495 1.00 0.00 C ATOM 996 CD ARG A 69 12.575 0.330 -5.492 1.00 0.00 C ATOM 997 NE ARG A 69 13.807 -0.082 -6.203 1.00 0.00 N ATOM 998 CZ ARG A 69 15.025 -0.102 -5.648 1.00 0.00 C ATOM 999 NH1 ARG A 69 15.184 0.268 -4.369 1.00 0.00 N ATOM 1000 NH2 ARG A 69 16.085 -0.489 -6.370 1.00 0.00 N ATOM 0 H ARG A 69 8.173 0.906 -7.422 1.00 0.00 H new ATOM 0 HA ARG A 69 10.232 -0.628 -8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.001 -0.843 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.228 -1.530 -6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.876 0.891 -7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.830 1.413 -6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.766 1.231 -4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.274 -0.447 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 69 13.722 -0.369 -7.178 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.377 0.564 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.112 0.253 -3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.964 -0.769 -7.343 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.013 -0.504 -5.946 1.00 0.00 H new ATOM 1014 N SER A 70 8.462 -2.342 -8.891 1.00 0.00 N ATOM 1015 CA SER A 70 7.467 -3.399 -8.964 1.00 0.00 C ATOM 1016 C SER A 70 7.973 -4.645 -8.234 1.00 0.00 C ATOM 1017 O SER A 70 8.422 -5.599 -8.868 1.00 0.00 O ATOM 1018 CB SER A 70 7.128 -3.734 -10.417 1.00 0.00 C ATOM 1019 OG SER A 70 6.286 -2.749 -11.011 1.00 0.00 O ATOM 0 H SER A 70 9.055 -2.257 -9.716 1.00 0.00 H new ATOM 0 HA SER A 70 6.556 -3.048 -8.479 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.049 -3.819 -10.994 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.635 -4.705 -10.459 1.00 0.00 H new ATOM 0 HG SER A 70 6.094 -2.999 -11.939 1.00 0.00 H new ATOM 1025 N LEU A 71 7.885 -4.595 -6.915 1.00 0.00 N ATOM 1026 CA LEU A 71 8.328 -5.709 -6.093 1.00 0.00 C ATOM 1027 C LEU A 71 7.667 -6.998 -6.588 1.00 0.00 C ATOM 1028 O LEU A 71 8.355 -7.952 -6.950 1.00 0.00 O ATOM 1029 CB LEU A 71 8.072 -5.418 -4.612 1.00 0.00 C ATOM 1030 CG LEU A 71 8.595 -4.078 -4.094 1.00 0.00 C ATOM 1031 CD1 LEU A 71 7.683 -3.517 -3.001 1.00 0.00 C ATOM 1032 CD2 LEU A 71 10.046 -4.202 -3.619 1.00 0.00 C ATOM 0 H LEU A 71 7.514 -3.801 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 71 9.405 -5.845 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.997 -5.460 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.524 -6.215 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 71 8.584 -3.367 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.079 -2.564 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.681 -3.368 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.638 -4.219 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.394 -3.235 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.104 -4.934 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.674 -4.525 -4.449 1.00 0.00 H new ATOM 1044 N VAL A 72 6.343 -6.983 -6.588 1.00 0.00 N ATOM 1045 CA VAL A 72 5.583 -8.140 -7.033 1.00 0.00 C ATOM 1046 C VAL A 72 5.434 -9.125 -5.872 1.00 0.00 C ATOM 1047 O VAL A 72 4.681 -10.094 -5.967 1.00 0.00 O ATOM 1048 CB VAL A 72 6.247 -8.761 -8.263 1.00 0.00 C ATOM 1049 CG1 VAL A 72 5.289 -9.715 -8.981 1.00 0.00 C ATOM 1050 CG2 VAL A 72 6.758 -7.678 -9.215 1.00 0.00 C ATOM 0 H VAL A 72 5.777 -6.190 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 72 4.579 -7.843 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 72 7.105 -9.341 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.786 -10.143 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.995 -10.515 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.403 -9.167 -9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.226 -8.146 -10.081 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.923 -7.059 -9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.490 -7.056 -8.699 1.00 0.00 H new ATOM 1060 N GLY A 73 6.165 -8.845 -4.803 1.00 0.00 N ATOM 1061 CA GLY A 73 6.124 -9.695 -3.626 1.00 0.00 C ATOM 1062 C GLY A 73 7.460 -9.665 -2.880 1.00 0.00 C ATOM 1063 O GLY A 73 7.986 -10.708 -2.500 1.00 0.00 O ATOM 0 H GLY A 73 6.789 -8.042 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.325 -9.364 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.891 -10.718 -3.920 1.00 0.00 H new ATOM 1067 N LEU A 74 7.971 -8.454 -2.696 1.00 0.00 N ATOM 1068 CA LEU A 74 9.235 -8.275 -2.002 1.00 0.00 C ATOM 1069 C LEU A 74 8.973 -7.683 -0.617 1.00 0.00 C ATOM 1070 O LEU A 74 7.845 -7.302 -0.303 1.00 0.00 O ATOM 1071 CB LEU A 74 10.198 -7.444 -2.854 1.00 0.00 C ATOM 1072 CG LEU A 74 10.395 -7.916 -4.297 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.659 -7.306 -4.905 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.398 -9.444 -4.378 1.00 0.00 C ATOM 0 H LEU A 74 7.533 -7.590 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 74 9.726 -9.236 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.838 -6.415 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.170 -7.432 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 74 9.551 -7.564 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.776 -7.657 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.577 -6.219 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.527 -7.606 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.540 -9.753 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.210 -9.839 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.447 -9.830 -4.011 1.00 0.00 H new ATOM 1086 N SER A 75 10.031 -7.622 0.176 1.00 0.00 N ATOM 1087 CA SER A 75 9.931 -7.083 1.522 1.00 0.00 C ATOM 1088 C SER A 75 9.784 -5.561 1.465 1.00 0.00 C ATOM 1089 O SER A 75 10.332 -4.912 0.574 1.00 0.00 O ATOM 1090 CB SER A 75 11.149 -7.467 2.362 1.00 0.00 C ATOM 1091 OG SER A 75 12.323 -7.608 1.568 1.00 0.00 O ATOM 0 H SER A 75 10.964 -7.938 -0.088 1.00 0.00 H new ATOM 0 HA SER A 75 9.048 -7.511 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.317 -6.707 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.949 -8.403 2.883 1.00 0.00 H new ATOM 0 HG SER A 75 13.079 -7.852 2.142 1.00 0.00 H new ATOM 1097 N GLN A 76 9.040 -5.034 2.427 1.00 0.00 N ATOM 1098 CA GLN A 76 8.815 -3.599 2.497 1.00 0.00 C ATOM 1099 C GLN A 76 10.132 -2.867 2.753 1.00 0.00 C ATOM 1100 O GLN A 76 10.194 -1.642 2.660 1.00 0.00 O ATOM 1101 CB GLN A 76 7.780 -3.260 3.573 1.00 0.00 C ATOM 1102 CG GLN A 76 8.299 -3.623 4.966 1.00 0.00 C ATOM 1103 CD GLN A 76 9.194 -2.515 5.525 1.00 0.00 C ATOM 1104 OE1 GLN A 76 10.409 -2.550 5.418 1.00 0.00 O ATOM 1105 NE2 GLN A 76 8.529 -1.533 6.124 1.00 0.00 N ATOM 0 H GLN A 76 8.586 -5.574 3.164 1.00 0.00 H new ATOM 0 HA GLN A 76 8.418 -3.265 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.545 -2.196 3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.854 -3.799 3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.458 -3.790 5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.859 -4.557 4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.511 -1.566 6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.036 -0.746 6.529 1.00 0.00 H new ATOM 1114 N GLU A 77 11.156 -3.648 3.071 1.00 0.00 N ATOM 1115 CA GLU A 77 12.469 -3.088 3.341 1.00 0.00 C ATOM 1116 C GLU A 77 12.800 -1.995 2.322 1.00 0.00 C ATOM 1117 O GLU A 77 12.699 -0.809 2.625 1.00 0.00 O ATOM 1118 CB GLU A 77 13.540 -4.180 3.343 1.00 0.00 C ATOM 1119 CG GLU A 77 13.191 -5.289 4.337 1.00 0.00 C ATOM 1120 CD GLU A 77 14.168 -5.298 5.514 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.372 -5.092 5.254 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.687 -5.510 6.649 1.00 0.00 O ATOM 0 H GLU A 77 11.102 -4.664 3.147 1.00 0.00 H new ATOM 0 HA GLU A 77 12.454 -2.638 4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.637 -4.601 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.506 -3.746 3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.175 -5.146 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.215 -6.255 3.833 1.00 0.00 H new ATOM 1129 N ARG A 78 13.189 -2.437 1.135 1.00 0.00 N ATOM 1130 CA ARG A 78 13.535 -1.512 0.070 1.00 0.00 C ATOM 1131 C ARG A 78 12.437 -0.461 -0.100 1.00 0.00 C ATOM 1132 O ARG A 78 12.672 0.726 0.117 1.00 0.00 O ATOM 1133 CB ARG A 78 13.736 -2.249 -1.257 1.00 0.00 C ATOM 1134 CG ARG A 78 14.707 -3.418 -1.092 1.00 0.00 C ATOM 1135 CD ARG A 78 13.988 -4.757 -1.277 1.00 0.00 C ATOM 1136 NE ARG A 78 14.813 -5.664 -2.107 1.00 0.00 N ATOM 1137 CZ ARG A 78 14.841 -5.639 -3.446 1.00 0.00 C ATOM 1138 NH1 ARG A 78 14.088 -4.754 -4.115 1.00 0.00 N ATOM 1139 NH2 ARG A 78 15.617 -6.500 -4.117 1.00 0.00 N ATOM 0 H ARG A 78 13.272 -3.423 0.888 1.00 0.00 H new ATOM 0 HA ARG A 78 14.469 -1.024 0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.777 -2.617 -1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.118 -1.557 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.514 -3.331 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.164 -3.380 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.796 -5.213 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.020 -4.597 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 78 15.397 -6.351 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.494 -4.100 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.109 -4.734 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.187 -7.176 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.638 -6.480 -5.137 1.00 0.00 H new ATOM 1153 N ALA A 79 11.261 -0.937 -0.484 1.00 0.00 N ATOM 1154 CA ALA A 79 10.125 -0.052 -0.684 1.00 0.00 C ATOM 1155 C ALA A 79 10.028 0.920 0.492 1.00 0.00 C ATOM 1156 O ALA A 79 10.542 2.036 0.424 1.00 0.00 O ATOM 1157 CB ALA A 79 8.853 -0.886 -0.860 1.00 0.00 C ATOM 0 H ALA A 79 11.070 -1.923 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 79 10.254 0.540 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.001 -0.223 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.962 -1.538 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.689 -1.492 0.031 1.00 0.00 H new ATOM 1163 N ALA A 80 9.365 0.461 1.544 1.00 0.00 N ATOM 1164 CA ALA A 80 9.193 1.278 2.735 1.00 0.00 C ATOM 1165 C ALA A 80 9.862 2.635 2.517 1.00 0.00 C ATOM 1166 O ALA A 80 9.213 3.594 2.106 1.00 0.00 O ATOM 1167 CB ALA A 80 9.756 0.535 3.947 1.00 0.00 C ATOM 0 H ALA A 80 8.941 -0.465 1.597 1.00 0.00 H new ATOM 0 HA ALA A 80 8.136 1.461 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.628 1.146 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.226 -0.409 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.817 0.337 3.792 1.00 0.00 H new ATOM 1173 N GLU A 81 11.156 2.673 2.805 1.00 0.00 N ATOM 1174 CA GLU A 81 11.922 3.898 2.647 1.00 0.00 C ATOM 1175 C GLU A 81 11.569 4.578 1.322 1.00 0.00 C ATOM 1176 O GLU A 81 11.003 5.670 1.313 1.00 0.00 O ATOM 1177 CB GLU A 81 13.425 3.620 2.737 1.00 0.00 C ATOM 1178 CG GLU A 81 14.232 4.898 2.506 1.00 0.00 C ATOM 1179 CD GLU A 81 15.589 4.825 3.209 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.613 5.113 4.427 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.571 4.482 2.516 1.00 0.00 O ATOM 0 H GLU A 81 11.692 1.875 3.147 1.00 0.00 H new ATOM 0 HA GLU A 81 11.661 4.574 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.664 3.206 3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.705 2.870 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.380 5.050 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.673 5.757 2.876 1.00 0.00 H new ATOM 1188 N LEU A 82 11.918 3.905 0.236 1.00 0.00 N ATOM 1189 CA LEU A 82 11.645 4.429 -1.090 1.00 0.00 C ATOM 1190 C LEU A 82 10.144 4.334 -1.372 1.00 0.00 C ATOM 1191 O LEU A 82 9.711 4.500 -2.513 1.00 0.00 O ATOM 1192 CB LEU A 82 12.513 3.727 -2.135 1.00 0.00 C ATOM 1193 CG LEU A 82 12.885 4.555 -3.366 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.722 5.449 -3.798 1.00 0.00 C ATOM 1195 CD2 LEU A 82 14.165 5.357 -3.120 1.00 0.00 C ATOM 0 H LEU A 82 12.388 3.000 0.248 1.00 0.00 H new ATOM 0 HA LEU A 82 11.914 5.484 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.433 3.398 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.990 2.831 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 82 13.087 3.871 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.013 6.027 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.858 4.830 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.464 6.128 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.408 5.937 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.015 6.032 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.985 4.674 -2.897 1.00 0.00 H new ATOM 1207 N MET A 83 9.390 4.067 -0.315 1.00 0.00 N ATOM 1208 CA MET A 83 7.946 3.946 -0.437 1.00 0.00 C ATOM 1209 C MET A 83 7.237 4.985 0.434 1.00 0.00 C ATOM 1210 O MET A 83 6.055 5.265 0.235 1.00 0.00 O ATOM 1211 CB MET A 83 7.514 2.541 -0.012 1.00 0.00 C ATOM 1212 CG MET A 83 6.034 2.308 -0.320 1.00 0.00 C ATOM 1213 SD MET A 83 5.603 0.608 0.013 1.00 0.00 S ATOM 1214 CE MET A 83 5.276 0.709 1.766 1.00 0.00 C ATOM 0 H MET A 83 9.751 3.931 0.629 1.00 0.00 H new ATOM 0 HA MET A 83 7.670 4.120 -1.477 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.119 1.798 -0.531 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.693 2.409 1.055 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.419 2.973 0.286 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.829 2.546 -1.364 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.676 -0.175 2.262 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.752 1.601 2.174 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.200 0.764 1.933 1.00 0.00 H new ATOM 1224 N THR A 84 7.987 5.528 1.383 1.00 0.00 N ATOM 1225 CA THR A 84 7.443 6.528 2.285 1.00 0.00 C ATOM 1226 C THR A 84 7.630 7.931 1.701 1.00 0.00 C ATOM 1227 O THR A 84 6.666 8.678 1.547 1.00 0.00 O ATOM 1228 CB THR A 84 8.108 6.346 3.650 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.285 4.936 3.763 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.173 6.700 4.809 1.00 0.00 C ATOM 0 H THR A 84 8.966 5.294 1.546 1.00 0.00 H new ATOM 0 HA THR A 84 6.368 6.402 2.412 1.00 0.00 H new ATOM 0 HB THR A 84 9.003 6.966 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.099 4.669 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.694 6.553 5.755 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.865 7.742 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.293 6.057 4.776 1.00 0.00 H new ATOM 1238 N ARG A 85 8.880 8.245 1.390 1.00 0.00 N ATOM 1239 CA ARG A 85 9.207 9.544 0.828 1.00 0.00 C ATOM 1240 C ARG A 85 8.584 9.692 -0.563 1.00 0.00 C ATOM 1241 O ARG A 85 9.295 9.880 -1.549 1.00 0.00 O ATOM 1242 CB ARG A 85 10.721 9.734 0.723 1.00 0.00 C ATOM 1243 CG ARG A 85 11.099 11.212 0.855 1.00 0.00 C ATOM 1244 CD ARG A 85 12.347 11.534 0.031 1.00 0.00 C ATOM 1245 NE ARG A 85 12.915 12.831 0.459 1.00 0.00 N ATOM 1246 CZ ARG A 85 14.192 13.192 0.270 1.00 0.00 C ATOM 1247 NH1 ARG A 85 15.041 12.355 -0.340 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.619 14.390 0.692 1.00 0.00 N ATOM 0 H ARG A 85 9.678 7.622 1.517 1.00 0.00 H new ATOM 0 HA ARG A 85 8.802 10.305 1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.218 9.157 1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.074 9.349 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.268 11.835 0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.278 11.453 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.088 10.744 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.094 11.570 -1.029 1.00 0.00 H new ATOM 0 HE ARG A 85 12.296 13.492 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.716 11.443 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.013 12.630 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.972 15.027 1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.591 14.665 0.548 1.00 0.00 H new ATOM 1262 N THR A 86 7.263 9.600 -0.596 1.00 0.00 N ATOM 1263 CA THR A 86 6.537 9.722 -1.850 1.00 0.00 C ATOM 1264 C THR A 86 6.282 11.193 -2.179 1.00 0.00 C ATOM 1265 O THR A 86 6.686 11.676 -3.235 1.00 0.00 O ATOM 1266 CB THR A 86 5.255 8.895 -1.735 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.513 7.741 -2.529 1.00 0.00 O ATOM 1268 CG2 THR A 86 4.062 9.562 -2.425 1.00 0.00 C ATOM 0 H THR A 86 6.677 9.443 0.224 1.00 0.00 H new ATOM 0 HA THR A 86 7.121 9.332 -2.684 1.00 0.00 H new ATOM 0 HB THR A 86 5.022 8.734 -0.682 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.004 7.799 -3.365 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.179 8.933 -2.313 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.875 10.534 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.282 9.694 -3.484 1.00 0.00 H new ATOM 1276 N SER A 87 5.614 11.866 -1.254 1.00 0.00 N ATOM 1277 CA SER A 87 5.302 13.274 -1.433 1.00 0.00 C ATOM 1278 C SER A 87 4.326 13.450 -2.598 1.00 0.00 C ATOM 1279 O SER A 87 3.233 13.986 -2.421 1.00 0.00 O ATOM 1280 CB SER A 87 6.571 14.095 -1.676 1.00 0.00 C ATOM 1281 OG SER A 87 6.477 15.402 -1.117 1.00 0.00 O ATOM 0 H SER A 87 5.280 11.463 -0.379 1.00 0.00 H new ATOM 0 HA SER A 87 4.836 13.639 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.427 13.576 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.753 14.172 -2.748 1.00 0.00 H new ATOM 0 HG SER A 87 7.307 15.893 -1.292 1.00 0.00 H new ATOM 1287 N SER A 88 4.756 12.989 -3.763 1.00 0.00 N ATOM 1288 CA SER A 88 3.934 13.087 -4.957 1.00 0.00 C ATOM 1289 C SER A 88 2.754 12.118 -4.862 1.00 0.00 C ATOM 1290 O SER A 88 1.642 12.520 -4.524 1.00 0.00 O ATOM 1291 CB SER A 88 4.755 12.803 -6.217 1.00 0.00 C ATOM 1292 OG SER A 88 5.513 13.938 -6.626 1.00 0.00 O ATOM 0 H SER A 88 5.664 12.546 -3.906 1.00 0.00 H new ATOM 0 HA SER A 88 3.554 14.106 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.428 11.966 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.088 12.502 -7.025 1.00 0.00 H new ATOM 0 HG SER A 88 6.025 13.717 -7.432 1.00 0.00 H new ATOM 1298 N VAL A 89 3.038 10.859 -5.166 1.00 0.00 N ATOM 1299 CA VAL A 89 2.015 9.830 -5.120 1.00 0.00 C ATOM 1300 C VAL A 89 2.649 8.505 -4.689 1.00 0.00 C ATOM 1301 O VAL A 89 3.837 8.280 -4.915 1.00 0.00 O ATOM 1302 CB VAL A 89 1.301 9.740 -6.469 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.302 9.526 -7.606 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.241 8.636 -6.457 1.00 0.00 C ATOM 0 H VAL A 89 3.962 10.530 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 89 1.254 10.082 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 89 0.794 10.689 -6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.768 9.465 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.002 10.361 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.850 8.599 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.251 8.594 -7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.716 7.677 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.498 8.849 -5.685 1.00 0.00 H new ATOM 1314 N VAL A 90 1.830 7.664 -4.077 1.00 0.00 N ATOM 1315 CA VAL A 90 2.295 6.368 -3.613 1.00 0.00 C ATOM 1316 C VAL A 90 1.568 5.265 -4.382 1.00 0.00 C ATOM 1317 O VAL A 90 0.471 4.857 -4.005 1.00 0.00 O ATOM 1318 CB VAL A 90 2.114 6.259 -2.098 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.459 6.377 -1.376 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.123 7.306 -1.587 1.00 0.00 C ATOM 0 H VAL A 90 0.845 7.855 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 90 3.361 6.252 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 90 1.701 5.274 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.303 6.296 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.121 5.577 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.912 7.342 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.013 7.206 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.493 8.304 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.155 7.155 -2.066 1.00 0.00 H new ATOM 1330 N THR A 91 2.210 4.811 -5.451 1.00 0.00 N ATOM 1331 CA THR A 91 1.639 3.761 -6.277 1.00 0.00 C ATOM 1332 C THR A 91 2.222 2.400 -5.891 1.00 0.00 C ATOM 1333 O THR A 91 3.391 2.127 -6.152 1.00 0.00 O ATOM 1334 CB THR A 91 1.877 4.130 -7.743 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.221 4.606 -7.766 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.048 5.338 -8.184 1.00 0.00 C ATOM 0 H THR A 91 3.119 5.152 -5.763 1.00 0.00 H new ATOM 0 HA THR A 91 0.564 3.675 -6.118 1.00 0.00 H new ATOM 0 HB THR A 91 1.639 3.275 -8.376 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.814 3.897 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.254 5.558 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.012 5.116 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.311 6.202 -7.574 1.00 0.00 H new ATOM 1344 N LEU A 92 1.378 1.585 -5.276 1.00 0.00 N ATOM 1345 CA LEU A 92 1.795 0.259 -4.852 1.00 0.00 C ATOM 1346 C LEU A 92 0.774 -0.771 -5.334 1.00 0.00 C ATOM 1347 O LEU A 92 -0.370 -0.426 -5.629 1.00 0.00 O ATOM 1348 CB LEU A 92 2.031 0.230 -3.339 1.00 0.00 C ATOM 1349 CG LEU A 92 1.904 1.571 -2.614 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.777 1.369 -1.103 1.00 0.00 C ATOM 1351 CD2 LEU A 92 3.065 2.501 -2.973 1.00 0.00 C ATOM 0 H LEU A 92 0.408 1.817 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 92 2.751 -0.003 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.323 -0.469 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.029 -0.167 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 92 0.988 2.055 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.688 2.338 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.891 0.772 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.661 0.853 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.950 3.447 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.007 2.035 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.066 2.684 -4.048 1.00 0.00 H new ATOM 1363 N GLU A 93 1.222 -2.017 -5.398 1.00 0.00 N ATOM 1364 CA GLU A 93 0.359 -3.101 -5.839 1.00 0.00 C ATOM 1365 C GLU A 93 -0.228 -3.837 -4.632 1.00 0.00 C ATOM 1366 O GLU A 93 0.484 -4.552 -3.931 1.00 0.00 O ATOM 1367 CB GLU A 93 1.115 -4.064 -6.755 1.00 0.00 C ATOM 1368 CG GLU A 93 0.173 -4.703 -7.778 1.00 0.00 C ATOM 1369 CD GLU A 93 -0.188 -6.132 -7.371 1.00 0.00 C ATOM 1370 OE1 GLU A 93 -0.409 -6.340 -6.157 1.00 0.00 O ATOM 1371 OE2 GLU A 93 -0.238 -6.987 -8.282 1.00 0.00 O ATOM 0 H GLU A 93 2.171 -2.300 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.463 -2.675 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.911 -3.529 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.590 -4.842 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.734 -4.105 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.646 -4.709 -8.760 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.522 -3.636 -4.431 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.214 -4.273 -3.322 1.00 0.00 C ATOM 1380 C VAL A 94 -3.295 -5.205 -3.868 1.00 0.00 C ATOM 1381 O VAL A 94 -3.735 -5.052 -5.007 1.00 0.00 O ATOM 1382 CB VAL A 94 -2.766 -3.209 -2.372 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.648 -2.587 -1.531 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.536 -2.133 -3.140 1.00 0.00 C ATOM 0 H VAL A 94 -2.109 -3.042 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.523 -4.884 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.463 -3.699 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.070 -1.834 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.162 -3.363 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.915 -2.120 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.917 -1.389 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.870 -1.650 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.369 -2.592 -3.672 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.693 -6.152 -3.032 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.715 -7.111 -3.418 1.00 0.00 C ATOM 1396 C ALA A 95 -5.814 -7.133 -2.352 1.00 0.00 C ATOM 1397 O ALA A 95 -5.541 -7.388 -1.180 1.00 0.00 O ATOM 1398 CB ALA A 95 -4.075 -8.484 -3.625 1.00 0.00 C ATOM 0 H ALA A 95 -3.326 -6.276 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.177 -6.822 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.842 -9.203 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.322 -8.420 -4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.604 -8.809 -2.697 1.00 0.00 H new ATOM 1404 N LYS A 96 -7.032 -6.866 -2.800 1.00 0.00 N ATOM 1405 CA LYS A 96 -8.173 -6.853 -1.900 1.00 0.00 C ATOM 1406 C LYS A 96 -8.299 -8.220 -1.222 1.00 0.00 C ATOM 1407 O LYS A 96 -7.966 -9.244 -1.817 1.00 0.00 O ATOM 1408 CB LYS A 96 -9.437 -6.418 -2.644 1.00 0.00 C ATOM 1409 CG LYS A 96 -9.923 -7.518 -3.589 1.00 0.00 C ATOM 1410 CD LYS A 96 -11.441 -7.448 -3.778 1.00 0.00 C ATOM 1411 CE LYS A 96 -11.797 -7.091 -5.221 1.00 0.00 C ATOM 1412 NZ LYS A 96 -13.136 -6.462 -5.285 1.00 0.00 N ATOM 0 H LYS A 96 -7.254 -6.657 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.026 -6.117 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.221 -6.178 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.235 -5.509 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.428 -7.418 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.647 -8.494 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.888 -8.407 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.862 -6.704 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.049 -6.410 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.781 -7.989 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.362 -6.226 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.848 -7.124 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.140 -5.594 -4.712 1.00 0.00 H new ATOM 1426 N GLN A 97 -8.776 -8.190 0.012 1.00 0.00 N ATOM 1427 CA GLN A 97 -8.950 -9.413 0.777 1.00 0.00 C ATOM 1428 C GLN A 97 -9.818 -9.152 2.009 1.00 0.00 C ATOM 1429 O GLN A 97 -10.934 -9.659 2.106 1.00 0.00 O ATOM 1430 CB GLN A 97 -7.597 -10.006 1.177 1.00 0.00 C ATOM 1431 CG GLN A 97 -7.777 -11.310 1.957 1.00 0.00 C ATOM 1432 CD GLN A 97 -7.658 -12.523 1.034 1.00 0.00 C ATOM 1433 OE1 GLN A 97 -6.579 -12.918 0.623 1.00 0.00 O ATOM 1434 NE2 GLN A 97 -8.822 -13.090 0.731 1.00 0.00 N ATOM 0 H GLN A 97 -9.048 -7.338 0.502 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.459 -10.142 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.000 -10.192 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.047 -9.288 1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.026 -11.373 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.752 -11.314 2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.689 -12.708 1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.848 -13.906 0.120 1.00 0.00 H new ATOM 1443 N GLY A 98 -9.273 -8.359 2.922 1.00 0.00 N ATOM 1444 CA GLY A 98 -9.985 -8.023 4.143 1.00 0.00 C ATOM 1445 C GLY A 98 -9.438 -8.817 5.330 1.00 0.00 C ATOM 1446 O GLY A 98 -9.483 -10.046 5.334 1.00 0.00 O ATOM 0 H GLY A 98 -8.347 -7.940 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.892 -6.955 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.047 -8.233 4.019 1.00 0.00 H new ATOM 1450 N ALA A 99 -8.933 -8.083 6.311 1.00 0.00 N ATOM 1451 CA ALA A 99 -8.380 -8.702 7.503 1.00 0.00 C ATOM 1452 C ALA A 99 -8.055 -7.618 8.532 1.00 0.00 C ATOM 1453 O ALA A 99 -8.313 -6.438 8.299 1.00 0.00 O ATOM 1454 CB ALA A 99 -7.151 -9.532 7.122 1.00 0.00 C ATOM 0 H ALA A 99 -8.895 -7.064 6.304 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.104 -9.379 7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.735 -9.997 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.441 -10.306 6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.401 -8.884 6.667 1.00 0.00 H new ATOM 1460 N ILE A 100 -7.494 -8.056 9.649 1.00 0.00 N ATOM 1461 CA ILE A 100 -7.132 -7.139 10.715 1.00 0.00 C ATOM 1462 C ILE A 100 -5.792 -7.568 11.320 1.00 0.00 C ATOM 1463 O ILE A 100 -5.208 -8.564 10.898 1.00 0.00 O ATOM 1464 CB ILE A 100 -8.263 -7.033 11.739 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -8.586 -8.402 12.343 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -9.498 -6.371 11.126 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -8.039 -8.515 13.768 1.00 0.00 C ATOM 0 H ILE A 100 -7.281 -9.035 9.839 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.996 -6.132 10.320 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.926 -6.393 12.554 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.665 -8.555 12.351 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.157 -9.188 11.722 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.287 -6.308 11.875 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.241 -5.368 10.784 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.847 -6.964 10.281 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.282 -9.497 14.174 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.957 -8.386 13.754 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.488 -7.743 14.392 1.00 0.00 H new ATOM 1479 N TYR A 101 -5.347 -6.797 12.300 1.00 0.00 N ATOM 1480 CA TYR A 101 -4.090 -7.085 12.966 1.00 0.00 C ATOM 1481 C TYR A 101 -4.240 -6.986 14.486 1.00 0.00 C ATOM 1482 O TYR A 101 -4.967 -7.770 15.095 1.00 0.00 O ATOM 1483 CB TYR A 101 -3.105 -6.013 12.493 1.00 0.00 C ATOM 1484 CG TYR A 101 -1.641 -6.457 12.522 1.00 0.00 C ATOM 1485 CD1 TYR A 101 -1.275 -7.669 11.973 1.00 0.00 C ATOM 1486 CD2 TYR A 101 -0.685 -5.643 13.098 1.00 0.00 C ATOM 1487 CE1 TYR A 101 0.103 -8.085 12.002 1.00 0.00 C ATOM 1488 CE2 TYR A 101 0.692 -6.060 13.125 1.00 0.00 C ATOM 1489 CZ TYR A 101 1.018 -7.261 12.577 1.00 0.00 C ATOM 1490 OH TYR A 101 2.319 -7.654 12.602 1.00 0.00 O ATOM 0 H TYR A 101 -5.835 -5.972 12.649 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.754 -8.095 12.730 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.365 -5.719 11.476 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.218 -5.128 13.120 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.022 -8.305 11.522 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.971 -4.694 13.528 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.403 -9.031 11.576 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.450 -5.433 13.571 1.00 0.00 H new ATOM 0 HH TYR A 101 2.860 -6.966 13.042 1.00 0.00 H new TER 1500 TYR A 101