USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 180:sc= -0.201 USER MOD Set 1.2: A 88 SER OG : rot 180:sc= -0.0749 USER MOD Set 2.1: A 61 SER OG : rot 150:sc= -1.05 USER MOD Set 2.2: A 67 MET CE :methyl -157:sc= 0 (180deg=-0.942) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0127 (180deg=-0.186) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.0234 (180deg=-0.248) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2.05! K(o=-2!,f=-0.026) USER MOD Single : A 21 GLN : amide:sc= -2.03 K(o=-2,f=-1.2) USER MOD Single : A 23 THR OG1 : rot -150:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= 0.386 K(o=0.39,f=-1.5) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.82) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.643 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -161:sc= -0.142 (180deg=-0.586) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.72) USER MOD Single : A 71 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.68) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -8.59! C(o=-8.6!,f=-10!) USER MOD Single : A 80 THR OG1 : rot -5:sc= 0.567 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.0456 (180deg=-0.31) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -2.01! K(o=-2!,f=-0.22) USER MOD Single : A 95 SER OG : rot -34:sc= 0.0638 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -95:sc= 1.05 USER MOD Single : A 104 LYS NZ :NH3+ 161:sc= -0.124 (180deg=-0.503) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.367 -8.736 6.219 1.00 7.33 N ATOM 2 CA MET A 1 19.678 -8.411 4.944 1.00 7.27 C ATOM 3 C MET A 1 18.696 -7.260 5.134 1.00 6.81 C ATOM 4 O MET A 1 18.072 -7.133 6.187 1.00 7.12 O ATOM 5 CB MET A 1 18.936 -9.642 4.420 1.00 7.99 C ATOM 6 CG MET A 1 17.881 -10.168 5.380 1.00 8.65 C ATOM 7 SD MET A 1 17.016 -11.615 4.739 1.00 9.34 S ATOM 8 CE MET A 1 15.878 -11.953 6.079 1.00 9.99 C ATOM 0 H1 MET A 1 20.427 -9.769 6.328 1.00 7.33 H new ATOM 0 H2 MET A 1 21.326 -8.333 6.208 1.00 7.33 H new ATOM 0 H3 MET A 1 19.832 -8.335 7.015 1.00 7.33 H new ATOM 0 HA MET A 1 20.432 -8.107 4.218 1.00 7.27 H new ATOM 0 HB2 MET A 1 18.461 -9.393 3.471 1.00 7.99 H new ATOM 0 HB3 MET A 1 19.658 -10.433 4.217 1.00 7.99 H new ATOM 0 HG2 MET A 1 18.354 -10.423 6.329 1.00 8.65 H new ATOM 0 HG3 MET A 1 17.158 -9.379 5.586 1.00 8.65 H new ATOM 0 HE1 MET A 1 15.271 -12.824 5.830 1.00 9.99 H new ATOM 0 HE2 MET A 1 16.440 -12.151 6.992 1.00 9.99 H new ATOM 0 HE3 MET A 1 15.229 -11.091 6.232 1.00 9.99 H new ATOM 20 N ALA A 2 18.564 -6.425 4.108 1.00 6.40 N ATOM 21 CA ALA A 2 17.655 -5.286 4.163 1.00 6.31 C ATOM 22 C ALA A 2 16.489 -5.472 3.198 1.00 5.60 C ATOM 23 O ALA A 2 16.548 -5.040 2.045 1.00 5.72 O ATOM 24 CB ALA A 2 18.403 -3.996 3.857 1.00 6.96 C ATOM 0 H ALA A 2 19.074 -6.516 3.230 1.00 6.40 H new ATOM 0 HA ALA A 2 17.249 -5.222 5.173 1.00 6.31 H new ATOM 0 HB1 ALA A 2 17.711 -3.155 3.902 1.00 6.96 H new ATOM 0 HB2 ALA A 2 19.196 -3.853 4.590 1.00 6.96 H new ATOM 0 HB3 ALA A 2 18.838 -4.055 2.859 1.00 6.96 H new ATOM 30 N ALA A 3 15.432 -6.124 3.675 1.00 5.19 N ATOM 31 CA ALA A 3 14.251 -6.371 2.856 1.00 4.77 C ATOM 32 C ALA A 3 13.069 -6.815 3.713 1.00 4.00 C ATOM 33 O ALA A 3 13.232 -7.586 4.660 1.00 4.10 O ATOM 34 CB ALA A 3 14.557 -7.419 1.796 1.00 5.44 C ATOM 0 H ALA A 3 15.370 -6.491 4.625 1.00 5.19 H new ATOM 0 HA ALA A 3 13.979 -5.437 2.364 1.00 4.77 H new ATOM 0 HB1 ALA A 3 13.668 -7.595 1.191 1.00 5.44 H new ATOM 0 HB2 ALA A 3 15.366 -7.065 1.157 1.00 5.44 H new ATOM 0 HB3 ALA A 3 14.857 -8.349 2.279 1.00 5.44 H new ATOM 40 N GLY A 4 11.881 -6.323 3.375 1.00 3.77 N ATOM 41 CA GLY A 4 10.687 -6.680 4.122 1.00 3.60 C ATOM 42 C GLY A 4 10.363 -5.677 5.212 1.00 3.08 C ATOM 43 O GLY A 4 9.243 -5.646 5.722 1.00 3.63 O ATOM 0 H GLY A 4 11.723 -5.683 2.597 1.00 3.77 H new ATOM 0 HA2 GLY A 4 9.842 -6.753 3.437 1.00 3.60 H new ATOM 0 HA3 GLY A 4 10.822 -7.665 4.568 1.00 3.60 H new ATOM 47 N GLU A 5 11.347 -4.859 5.570 1.00 2.62 N ATOM 48 CA GLU A 5 11.164 -3.849 6.607 1.00 2.68 C ATOM 49 C GLU A 5 11.884 -2.556 6.238 1.00 2.07 C ATOM 50 O GLU A 5 13.062 -2.570 5.879 1.00 2.47 O ATOM 51 CB GLU A 5 11.678 -4.372 7.951 1.00 3.54 C ATOM 52 CG GLU A 5 13.122 -4.847 7.910 1.00 4.10 C ATOM 53 CD GLU A 5 13.637 -5.266 9.274 1.00 4.75 C ATOM 54 OE1 GLU A 5 13.420 -6.435 9.658 1.00 5.15 O ATOM 55 OE2 GLU A 5 14.261 -4.426 9.957 1.00 5.19 O ATOM 0 H GLU A 5 12.280 -4.875 5.158 1.00 2.62 H new ATOM 0 HA GLU A 5 10.098 -3.637 6.692 1.00 2.68 H new ATOM 0 HB2 GLU A 5 11.585 -3.583 8.697 1.00 3.54 H new ATOM 0 HB3 GLU A 5 11.043 -5.196 8.277 1.00 3.54 H new ATOM 0 HG2 GLU A 5 13.205 -5.687 7.221 1.00 4.10 H new ATOM 0 HG3 GLU A 5 13.752 -4.049 7.517 1.00 4.10 H new ATOM 62 N LEU A 6 11.170 -1.438 6.329 1.00 1.67 N ATOM 63 CA LEU A 6 11.747 -0.138 6.004 1.00 1.32 C ATOM 64 C LEU A 6 11.854 0.724 7.257 1.00 1.32 C ATOM 65 O LEU A 6 12.679 1.634 7.331 1.00 2.13 O ATOM 66 CB LEU A 6 10.903 0.579 4.947 1.00 1.13 C ATOM 67 CG LEU A 6 10.447 -0.293 3.772 1.00 1.02 C ATOM 68 CD1 LEU A 6 9.109 -0.946 4.078 1.00 1.73 C ATOM 69 CD2 LEU A 6 10.357 0.528 2.495 1.00 1.32 C ATOM 0 H LEU A 6 10.194 -1.406 6.624 1.00 1.67 H new ATOM 0 HA LEU A 6 12.746 -0.301 5.600 1.00 1.32 H new ATOM 0 HB2 LEU A 6 10.021 0.997 5.432 1.00 1.13 H new ATOM 0 HB3 LEU A 6 11.478 1.418 4.554 1.00 1.13 H new ATOM 0 HG LEU A 6 11.189 -1.078 3.624 1.00 1.02 H new ATOM 0 HD11 LEU A 6 8.802 -1.561 3.232 1.00 1.73 H new ATOM 0 HD12 LEU A 6 9.204 -1.572 4.966 1.00 1.73 H new ATOM 0 HD13 LEU A 6 8.360 -0.175 4.256 1.00 1.73 H new ATOM 0 HD21 LEU A 6 10.032 -0.111 1.674 1.00 1.32 H new ATOM 0 HD22 LEU A 6 9.639 1.337 2.632 1.00 1.32 H new ATOM 0 HD23 LEU A 6 11.336 0.947 2.262 1.00 1.32 H new ATOM 81 N GLU A 7 11.013 0.420 8.240 1.00 1.23 N ATOM 82 CA GLU A 7 10.993 1.156 9.499 1.00 1.34 C ATOM 83 C GLU A 7 10.029 0.497 10.478 1.00 1.46 C ATOM 84 O GLU A 7 10.136 0.674 11.691 1.00 2.09 O ATOM 85 CB GLU A 7 10.577 2.607 9.257 1.00 1.49 C ATOM 86 CG GLU A 7 9.204 2.744 8.620 1.00 1.34 C ATOM 87 CD GLU A 7 8.879 4.173 8.236 1.00 1.95 C ATOM 88 OE1 GLU A 7 9.343 4.619 7.166 1.00 2.64 O ATOM 89 OE2 GLU A 7 8.157 4.845 9.001 1.00 2.22 O ATOM 0 H GLU A 7 10.331 -0.337 8.188 1.00 1.23 H new ATOM 0 HA GLU A 7 11.996 1.142 9.926 1.00 1.34 H new ATOM 0 HB2 GLU A 7 10.584 3.142 10.207 1.00 1.49 H new ATOM 0 HB3 GLU A 7 11.316 3.087 8.616 1.00 1.49 H new ATOM 0 HG2 GLU A 7 9.155 2.113 7.732 1.00 1.34 H new ATOM 0 HG3 GLU A 7 8.448 2.377 9.314 1.00 1.34 H new ATOM 96 N GLY A 8 9.089 -0.264 9.930 1.00 1.36 N ATOM 97 CA GLY A 8 8.106 -0.949 10.746 1.00 1.61 C ATOM 98 C GLY A 8 6.987 -1.530 9.909 1.00 1.17 C ATOM 99 O GLY A 8 6.816 -1.155 8.749 1.00 1.38 O ATOM 0 H GLY A 8 8.991 -0.419 8.927 1.00 1.36 H new ATOM 0 HA2 GLY A 8 8.592 -1.747 11.307 1.00 1.61 H new ATOM 0 HA3 GLY A 8 7.691 -0.253 11.475 1.00 1.61 H new ATOM 103 N GLY A 9 6.224 -2.445 10.493 1.00 1.01 N ATOM 104 CA GLY A 9 5.126 -3.058 9.770 1.00 1.09 C ATOM 105 C GLY A 9 3.877 -2.201 9.780 1.00 1.08 C ATOM 106 O GLY A 9 3.224 -2.034 8.750 1.00 1.26 O ATOM 0 H GLY A 9 6.345 -2.773 11.451 1.00 1.01 H new ATOM 0 HA2 GLY A 9 5.430 -3.240 8.739 1.00 1.09 H new ATOM 0 HA3 GLY A 9 4.901 -4.029 10.212 1.00 1.09 H new ATOM 110 N LYS A 10 3.555 -1.646 10.946 1.00 1.12 N ATOM 111 CA LYS A 10 2.372 -0.802 11.103 1.00 1.33 C ATOM 112 C LYS A 10 2.262 0.252 9.993 1.00 1.14 C ATOM 113 O LYS A 10 1.201 0.393 9.384 1.00 1.22 O ATOM 114 CB LYS A 10 2.375 -0.125 12.477 1.00 1.68 C ATOM 115 CG LYS A 10 1.181 0.786 12.708 1.00 2.23 C ATOM 116 CD LYS A 10 1.172 1.344 14.122 1.00 3.07 C ATOM 117 CE LYS A 10 0.002 2.289 14.336 1.00 3.89 C ATOM 118 NZ LYS A 10 -1.304 1.619 14.086 1.00 4.57 N ATOM 0 H LYS A 10 4.099 -1.766 11.800 1.00 1.12 H new ATOM 0 HA LYS A 10 1.500 -1.452 11.025 1.00 1.33 H new ATOM 0 HB2 LYS A 10 2.391 -0.892 13.251 1.00 1.68 H new ATOM 0 HB3 LYS A 10 3.291 0.456 12.585 1.00 1.68 H new ATOM 0 HG2 LYS A 10 1.205 1.607 11.992 1.00 2.23 H new ATOM 0 HG3 LYS A 10 0.259 0.232 12.528 1.00 2.23 H new ATOM 0 HD2 LYS A 10 1.116 0.524 14.838 1.00 3.07 H new ATOM 0 HD3 LYS A 10 2.107 1.871 14.313 1.00 3.07 H new ATOM 0 HE2 LYS A 10 0.025 2.670 15.357 1.00 3.89 H new ATOM 0 HE3 LYS A 10 0.103 3.148 13.672 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 -2.075 2.215 14.449 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 -1.430 1.474 13.064 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 -1.320 0.699 14.570 1.00 4.57 H new ATOM 132 N PRO A 11 3.343 1.011 9.706 1.00 1.03 N ATOM 133 CA PRO A 11 3.308 2.039 8.662 1.00 1.05 C ATOM 134 C PRO A 11 3.060 1.445 7.282 1.00 0.77 C ATOM 135 O PRO A 11 2.280 1.983 6.500 1.00 0.72 O ATOM 136 CB PRO A 11 4.697 2.685 8.714 1.00 1.20 C ATOM 137 CG PRO A 11 5.322 2.223 9.989 1.00 1.49 C ATOM 138 CD PRO A 11 4.664 0.929 10.353 1.00 1.15 C ATOM 0 HA PRO A 11 2.497 2.747 8.831 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.298 2.386 7.855 1.00 1.20 H new ATOM 0 HB3 PRO A 11 4.622 3.772 8.688 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.397 2.088 9.865 1.00 1.49 H new ATOM 0 HG3 PRO A 11 5.182 2.962 10.778 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.235 0.074 9.990 1.00 1.15 H new ATOM 0 HD3 PRO A 11 4.574 0.816 11.433 1.00 1.15 H new ATOM 146 N LEU A 12 3.728 0.330 6.997 1.00 0.70 N ATOM 147 CA LEU A 12 3.599 -0.349 5.710 1.00 0.57 C ATOM 148 C LEU A 12 2.134 -0.526 5.307 1.00 0.48 C ATOM 149 O LEU A 12 1.820 -0.649 4.123 1.00 0.53 O ATOM 150 CB LEU A 12 4.291 -1.714 5.769 1.00 0.61 C ATOM 151 CG LEU A 12 4.259 -2.520 4.470 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.207 -1.919 3.446 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.611 -3.976 4.738 1.00 0.91 C ATOM 0 H LEU A 12 4.369 -0.126 7.646 1.00 0.70 H new ATOM 0 HA LEU A 12 4.079 0.274 4.956 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.331 -1.563 6.058 1.00 0.61 H new ATOM 0 HB3 LEU A 12 3.824 -2.306 6.556 1.00 0.61 H new ATOM 0 HG LEU A 12 3.248 -2.481 4.064 1.00 0.58 H new ATOM 0 HD11 LEU A 12 5.171 -2.506 2.528 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.909 -0.893 3.232 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.223 -1.927 3.842 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.583 -4.535 3.803 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.611 -4.035 5.167 1.00 0.91 H new ATOM 0 HD23 LEU A 12 3.891 -4.402 5.437 1.00 0.91 H new ATOM 165 N SER A 13 1.242 -0.535 6.295 1.00 0.52 N ATOM 166 CA SER A 13 -0.185 -0.703 6.035 1.00 0.61 C ATOM 167 C SER A 13 -0.798 0.574 5.468 1.00 0.58 C ATOM 168 O SER A 13 -1.664 0.523 4.594 1.00 0.69 O ATOM 169 CB SER A 13 -0.915 -1.103 7.317 1.00 0.78 C ATOM 170 OG SER A 13 -2.305 -1.255 7.087 1.00 1.39 O ATOM 0 H SER A 13 1.482 -0.428 7.281 1.00 0.52 H new ATOM 0 HA SER A 13 -0.297 -1.495 5.295 1.00 0.61 H new ATOM 0 HB2 SER A 13 -0.502 -2.037 7.698 1.00 0.78 H new ATOM 0 HB3 SER A 13 -0.751 -0.346 8.084 1.00 0.78 H new ATOM 0 HG SER A 13 -2.749 -1.512 7.922 1.00 1.39 H new ATOM 176 N GLY A 14 -0.349 1.717 5.975 1.00 0.56 N ATOM 177 CA GLY A 14 -0.866 2.992 5.510 1.00 0.59 C ATOM 178 C GLY A 14 -0.192 3.471 4.237 1.00 0.55 C ATOM 179 O GLY A 14 -0.248 4.657 3.910 1.00 0.58 O ATOM 0 H GLY A 14 0.365 1.784 6.701 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.938 2.903 5.336 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.731 3.740 6.291 1.00 0.59 H new ATOM 183 N LEU A 15 0.442 2.551 3.516 1.00 0.52 N ATOM 184 CA LEU A 15 1.128 2.894 2.273 1.00 0.52 C ATOM 185 C LEU A 15 0.157 2.953 1.107 1.00 0.46 C ATOM 186 O LEU A 15 0.157 3.920 0.351 1.00 0.47 O ATOM 187 CB LEU A 15 2.235 1.886 1.982 1.00 0.57 C ATOM 188 CG LEU A 15 3.621 2.256 2.519 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.276 3.278 1.611 1.00 0.97 C ATOM 190 CD2 LEU A 15 3.535 2.790 3.942 1.00 1.10 C ATOM 0 H LEU A 15 0.495 1.564 3.770 1.00 0.52 H new ATOM 0 HA LEU A 15 1.570 3.883 2.397 1.00 0.52 H new ATOM 0 HB2 LEU A 15 1.946 0.923 2.404 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.306 1.752 0.903 1.00 0.57 H new ATOM 0 HG LEU A 15 4.231 1.353 2.536 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.261 3.534 2.002 1.00 0.97 H new ATOM 0 HD12 LEU A 15 4.380 2.861 0.609 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.658 4.175 1.568 1.00 0.97 H new ATOM 0 HD21 LEU A 15 4.534 3.044 4.296 1.00 1.10 H new ATOM 0 HD22 LEU A 15 2.907 3.680 3.959 1.00 1.10 H new ATOM 0 HD23 LEU A 15 3.103 2.028 4.591 1.00 1.10 H new ATOM 202 N LEU A 16 -0.675 1.922 0.961 1.00 0.45 N ATOM 203 CA LEU A 16 -1.659 1.893 -0.119 1.00 0.42 C ATOM 204 C LEU A 16 -2.404 3.225 -0.153 1.00 0.40 C ATOM 205 O LEU A 16 -2.999 3.603 -1.161 1.00 0.41 O ATOM 206 CB LEU A 16 -2.651 0.731 0.059 1.00 0.47 C ATOM 207 CG LEU A 16 -2.042 -0.649 0.365 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.709 -0.843 -0.348 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.884 -0.850 1.866 1.00 0.92 C ATOM 0 H LEU A 16 -0.688 1.104 1.570 1.00 0.45 H new ATOM 0 HA LEU A 16 -1.138 1.738 -1.064 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -3.337 0.988 0.866 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -3.246 0.648 -0.850 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.732 -1.404 -0.013 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.308 -1.828 -0.109 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.857 -0.763 -1.425 1.00 0.86 H new ATOM 0 HD13 LEU A 16 -0.006 -0.076 -0.021 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.452 -1.832 2.058 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -1.227 -0.079 2.269 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.860 -0.783 2.347 1.00 0.92 H new ATOM 221 N ASN A 17 -2.350 3.920 0.980 1.00 0.40 N ATOM 222 CA ASN A 17 -2.976 5.223 1.141 1.00 0.42 C ATOM 223 C ASN A 17 -2.033 6.341 0.690 1.00 0.38 C ATOM 224 O ASN A 17 -2.427 7.243 -0.047 1.00 0.42 O ATOM 225 CB ASN A 17 -3.344 5.422 2.610 1.00 0.47 C ATOM 226 CG ASN A 17 -4.602 4.672 3.006 1.00 1.38 C ATOM 227 OD1 ASN A 17 -5.361 5.123 3.865 1.00 1.93 O ATOM 228 ND2 ASN A 17 -4.826 3.518 2.389 1.00 2.33 N ATOM 0 H ASN A 17 -1.867 3.590 1.816 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.872 5.262 0.522 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -2.516 5.090 3.236 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -3.484 6.485 2.804 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -5.653 2.968 2.621 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -4.171 3.181 1.683 1.00 2.33 H new ATOM 235 N ALA A 18 -0.785 6.271 1.149 1.00 0.37 N ATOM 236 CA ALA A 18 0.227 7.270 0.812 1.00 0.37 C ATOM 237 C ALA A 18 0.581 7.241 -0.672 1.00 0.38 C ATOM 238 O ALA A 18 0.500 8.259 -1.361 1.00 0.44 O ATOM 239 CB ALA A 18 1.478 7.041 1.640 1.00 0.42 C ATOM 0 H ALA A 18 -0.449 5.527 1.760 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.191 8.251 1.038 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.227 7.790 1.382 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.233 7.122 2.699 1.00 0.42 H new ATOM 0 HB3 ALA A 18 1.874 6.046 1.434 1.00 0.42 H new ATOM 245 N LEU A 19 0.980 6.066 -1.151 1.00 0.42 N ATOM 246 CA LEU A 19 1.370 5.878 -2.549 1.00 0.48 C ATOM 247 C LEU A 19 0.322 6.428 -3.517 1.00 0.52 C ATOM 248 O LEU A 19 0.610 6.632 -4.696 1.00 0.69 O ATOM 249 CB LEU A 19 1.596 4.392 -2.840 1.00 0.51 C ATOM 250 CG LEU A 19 2.336 3.605 -1.756 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.443 2.139 -2.142 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.714 4.189 -1.505 1.00 0.94 C ATOM 0 H LEU A 19 1.043 5.219 -0.585 1.00 0.42 H new ATOM 0 HA LEU A 19 2.296 6.433 -2.701 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.626 3.922 -3.005 1.00 0.51 H new ATOM 0 HB3 LEU A 19 2.155 4.305 -3.771 1.00 0.51 H new ATOM 0 HG LEU A 19 1.762 3.681 -0.832 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.972 1.594 -1.360 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.444 1.721 -2.263 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.990 2.049 -3.080 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.218 3.611 -0.730 1.00 0.94 H new ATOM 0 HD22 LEU A 19 4.298 4.151 -2.424 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.616 5.225 -1.180 1.00 0.94 H new ATOM 264 N ALA A 20 -0.890 6.656 -3.019 1.00 0.54 N ATOM 265 CA ALA A 20 -1.977 7.174 -3.847 1.00 0.64 C ATOM 266 C ALA A 20 -1.562 8.433 -4.604 1.00 0.78 C ATOM 267 O ALA A 20 -1.605 9.537 -4.065 1.00 1.59 O ATOM 268 CB ALA A 20 -3.202 7.455 -2.991 1.00 0.76 C ATOM 0 H ALA A 20 -1.145 6.490 -2.045 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.222 6.411 -4.585 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.005 7.840 -3.620 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.529 6.533 -2.510 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -2.952 8.193 -2.229 1.00 0.76 H new ATOM 274 N GLN A 21 -1.155 8.254 -5.858 1.00 0.71 N ATOM 275 CA GLN A 21 -0.743 9.374 -6.698 1.00 0.81 C ATOM 276 C GLN A 21 -1.886 9.796 -7.613 1.00 1.05 C ATOM 277 O GLN A 21 -2.253 9.071 -8.538 1.00 1.54 O ATOM 278 CB GLN A 21 0.484 8.998 -7.531 1.00 1.12 C ATOM 279 CG GLN A 21 1.757 8.866 -6.711 1.00 1.08 C ATOM 280 CD GLN A 21 2.982 8.623 -7.572 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.900 7.999 -8.629 1.00 1.87 O ATOM 282 NE2 GLN A 21 4.129 9.122 -7.122 1.00 1.21 N ATOM 0 H GLN A 21 -1.102 7.343 -6.315 1.00 0.71 H new ATOM 0 HA GLN A 21 -0.481 10.211 -6.051 1.00 0.81 H new ATOM 0 HB2 GLN A 21 0.291 8.055 -8.042 1.00 1.12 H new ATOM 0 HB3 GLN A 21 0.635 9.753 -8.302 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.903 9.773 -6.125 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.646 8.044 -6.004 1.00 1.08 H new ATOM 0 HE21 GLN A 21 4.151 9.633 -6.240 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.987 8.994 -7.659 1.00 1.21 H new ATOM 291 N ASP A 22 -2.447 10.973 -7.343 1.00 1.63 N ATOM 292 CA ASP A 22 -3.559 11.493 -8.130 1.00 2.08 C ATOM 293 C ASP A 22 -4.746 10.536 -8.073 1.00 1.93 C ATOM 294 O ASP A 22 -4.913 9.681 -8.944 1.00 2.22 O ATOM 295 CB ASP A 22 -3.134 11.724 -9.582 1.00 2.77 C ATOM 296 CG ASP A 22 -2.048 12.775 -9.707 1.00 3.37 C ATOM 297 OD1 ASP A 22 -2.390 13.974 -9.785 1.00 4.03 O ATOM 298 OD2 ASP A 22 -0.857 12.399 -9.725 1.00 3.59 O ATOM 0 H ASP A 22 -2.148 11.584 -6.583 1.00 1.63 H new ATOM 0 HA ASP A 22 -3.860 12.450 -7.703 1.00 2.08 H new ATOM 0 HB2 ASP A 22 -2.778 10.786 -10.007 1.00 2.77 H new ATOM 0 HB3 ASP A 22 -4.001 12.030 -10.167 1.00 2.77 H new ATOM 303 N THR A 23 -5.563 10.682 -7.035 1.00 1.87 N ATOM 304 CA THR A 23 -6.732 9.829 -6.852 1.00 2.12 C ATOM 305 C THR A 23 -7.864 10.240 -7.785 1.00 2.28 C ATOM 306 O THR A 23 -8.735 9.432 -8.110 1.00 2.68 O ATOM 307 CB THR A 23 -7.239 9.877 -5.398 1.00 2.43 C ATOM 308 OG1 THR A 23 -7.673 11.203 -5.074 1.00 3.06 O ATOM 309 CG2 THR A 23 -6.149 9.445 -4.429 1.00 2.29 C ATOM 0 H THR A 23 -5.437 11.384 -6.306 1.00 1.87 H new ATOM 0 HA THR A 23 -6.421 8.811 -7.089 1.00 2.12 H new ATOM 0 HB THR A 23 -8.078 9.187 -5.307 1.00 2.43 H new ATOM 0 HG1 THR A 23 -7.540 11.366 -4.117 1.00 3.06 H new ATOM 0 HG21 THR A 23 -6.531 9.487 -3.409 1.00 2.29 H new ATOM 0 HG22 THR A 23 -5.841 8.425 -4.659 1.00 2.29 H new ATOM 0 HG23 THR A 23 -5.293 10.113 -4.524 1.00 2.29 H new ATOM 317 N PHE A 24 -7.845 11.500 -8.212 1.00 2.25 N ATOM 318 CA PHE A 24 -8.869 12.026 -9.110 1.00 2.54 C ATOM 319 C PHE A 24 -10.248 11.964 -8.460 1.00 2.79 C ATOM 320 O PHE A 24 -10.916 10.931 -8.497 1.00 3.49 O ATOM 321 CB PHE A 24 -8.875 11.248 -10.429 1.00 2.58 C ATOM 322 CG PHE A 24 -9.793 11.825 -11.468 1.00 2.99 C ATOM 323 CD1 PHE A 24 -9.457 12.991 -12.138 1.00 3.46 C ATOM 324 CD2 PHE A 24 -10.993 11.203 -11.771 1.00 3.42 C ATOM 325 CE1 PHE A 24 -10.303 13.524 -13.094 1.00 4.14 C ATOM 326 CE2 PHE A 24 -11.842 11.731 -12.726 1.00 4.26 C ATOM 327 CZ PHE A 24 -11.489 12.893 -13.394 1.00 4.53 C ATOM 0 H PHE A 24 -7.129 12.178 -7.949 1.00 2.25 H new ATOM 0 HA PHE A 24 -8.632 13.070 -9.316 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -7.861 11.220 -10.828 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -9.168 10.217 -10.231 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -8.525 13.488 -11.911 1.00 3.46 H new ATOM 0 HD2 PHE A 24 -11.269 10.295 -11.255 1.00 3.42 H new ATOM 0 HE1 PHE A 24 -10.033 14.436 -13.605 1.00 4.14 H new ATOM 0 HE2 PHE A 24 -12.777 11.240 -12.951 1.00 4.26 H new ATOM 0 HZ PHE A 24 -12.144 13.303 -14.149 1.00 4.53 H new ATOM 337 N HIS A 25 -10.661 13.077 -7.856 1.00 2.92 N ATOM 338 CA HIS A 25 -11.959 13.160 -7.193 1.00 3.82 C ATOM 339 C HIS A 25 -12.070 12.132 -6.070 1.00 4.29 C ATOM 340 O HIS A 25 -13.160 11.874 -5.558 1.00 5.21 O ATOM 341 CB HIS A 25 -13.090 12.956 -8.204 1.00 4.09 C ATOM 342 CG HIS A 25 -13.233 14.084 -9.178 1.00 4.34 C ATOM 343 ND1 HIS A 25 -12.690 14.060 -10.446 1.00 4.48 N ATOM 344 CD2 HIS A 25 -13.860 15.278 -9.063 1.00 4.95 C ATOM 345 CE1 HIS A 25 -12.978 15.189 -11.068 1.00 5.04 C ATOM 346 NE2 HIS A 25 -13.688 15.943 -10.251 1.00 5.34 N ATOM 0 H HIS A 25 -10.113 13.936 -7.813 1.00 2.92 H new ATOM 0 HA HIS A 25 -12.048 14.155 -6.756 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -12.912 12.032 -8.754 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -14.029 12.830 -7.666 1.00 4.09 H new ATOM 0 HD1 HIS A 25 -12.150 13.290 -10.842 1.00 4.48 H new ATOM 0 HD2 HIS A 25 -14.396 15.640 -8.198 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -12.683 15.450 -12.073 1.00 5.04 H new ATOM 355 N GLY A 26 -10.935 11.552 -5.686 1.00 3.87 N ATOM 356 CA GLY A 26 -10.930 10.563 -4.623 1.00 4.35 C ATOM 357 C GLY A 26 -10.705 11.186 -3.260 1.00 3.82 C ATOM 358 O GLY A 26 -11.517 11.987 -2.796 1.00 3.81 O ATOM 0 H GLY A 26 -10.020 11.750 -6.092 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -11.879 10.028 -4.623 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -10.149 9.828 -4.817 1.00 4.35 H new ATOM 362 N TYR A 27 -9.601 10.821 -2.614 1.00 3.61 N ATOM 363 CA TYR A 27 -9.276 11.356 -1.297 1.00 3.21 C ATOM 364 C TYR A 27 -8.455 12.641 -1.422 1.00 2.51 C ATOM 365 O TYR A 27 -7.352 12.624 -1.969 1.00 2.56 O ATOM 366 CB TYR A 27 -8.505 10.322 -0.476 1.00 3.64 C ATOM 367 CG TYR A 27 -8.184 10.785 0.928 1.00 4.16 C ATOM 368 CD1 TYR A 27 -9.179 10.876 1.893 1.00 4.99 C ATOM 369 CD2 TYR A 27 -6.888 11.135 1.286 1.00 4.26 C ATOM 370 CE1 TYR A 27 -8.892 11.301 3.177 1.00 5.76 C ATOM 371 CE2 TYR A 27 -6.593 11.560 2.567 1.00 5.19 C ATOM 372 CZ TYR A 27 -7.598 11.642 3.508 1.00 5.88 C ATOM 373 OH TYR A 27 -7.307 12.066 4.784 1.00 6.91 O ATOM 0 H TYR A 27 -8.918 10.158 -2.981 1.00 3.61 H new ATOM 0 HA TYR A 27 -10.210 11.588 -0.786 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -9.089 9.403 -0.423 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -7.576 10.080 -0.992 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -10.194 10.610 1.636 1.00 4.99 H new ATOM 0 HD2 TYR A 27 -6.099 11.074 0.551 1.00 4.26 H new ATOM 0 HE1 TYR A 27 -9.677 11.365 3.916 1.00 5.76 H new ATOM 0 HE2 TYR A 27 -5.580 11.827 2.830 1.00 5.19 H new ATOM 0 HH TYR A 27 -6.350 12.266 4.852 1.00 6.91 H new ATOM 383 N PRO A 28 -8.978 13.778 -0.914 1.00 2.25 N ATOM 384 CA PRO A 28 -8.280 15.064 -0.981 1.00 2.05 C ATOM 385 C PRO A 28 -7.089 15.125 -0.031 1.00 1.79 C ATOM 386 O PRO A 28 -7.111 14.529 1.047 1.00 2.41 O ATOM 387 CB PRO A 28 -9.345 16.091 -0.562 1.00 2.45 C ATOM 388 CG PRO A 28 -10.636 15.340 -0.504 1.00 2.79 C ATOM 389 CD PRO A 28 -10.276 13.909 -0.241 1.00 2.71 C ATOM 0 HA PRO A 28 -7.870 15.244 -1.975 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -9.105 16.530 0.406 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -9.401 16.910 -1.279 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -11.279 15.731 0.285 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -11.185 15.437 -1.440 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -10.203 13.699 0.826 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -11.017 13.222 -0.651 1.00 2.71 H new ATOM 397 N GLY A 29 -6.052 15.849 -0.437 1.00 1.45 N ATOM 398 CA GLY A 29 -4.866 15.979 0.387 1.00 1.37 C ATOM 399 C GLY A 29 -3.886 14.841 0.177 1.00 1.15 C ATOM 400 O GLY A 29 -3.477 14.182 1.132 1.00 1.42 O ATOM 0 H GLY A 29 -6.012 16.349 -1.325 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -4.373 16.925 0.162 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -5.159 16.013 1.436 1.00 1.37 H new ATOM 404 N ILE A 30 -3.508 14.613 -1.078 1.00 1.02 N ATOM 405 CA ILE A 30 -2.570 13.548 -1.413 1.00 0.84 C ATOM 406 C ILE A 30 -1.884 13.829 -2.750 1.00 0.87 C ATOM 407 O ILE A 30 -2.523 14.271 -3.705 1.00 1.18 O ATOM 408 CB ILE A 30 -3.281 12.177 -1.476 1.00 0.87 C ATOM 409 CG1 ILE A 30 -2.257 11.046 -1.588 1.00 0.77 C ATOM 410 CG2 ILE A 30 -4.261 12.131 -2.640 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.791 10.516 -0.249 1.00 0.75 C ATOM 0 H ILE A 30 -3.837 15.152 -1.879 1.00 1.02 H new ATOM 0 HA ILE A 30 -1.818 13.517 -0.625 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.844 12.041 -0.552 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -2.693 10.228 -2.161 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -1.393 11.403 -2.149 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.750 11.157 -2.666 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -5.012 12.911 -2.514 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.724 12.292 -3.575 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -1.067 9.717 -0.406 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -1.325 11.321 0.319 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -2.645 10.128 0.306 1.00 0.75 H new ATOM 423 N THR A 31 -0.578 13.577 -2.810 1.00 0.88 N ATOM 424 CA THR A 31 0.185 13.806 -4.031 1.00 0.97 C ATOM 425 C THR A 31 1.463 12.966 -4.049 1.00 0.86 C ATOM 426 O THR A 31 1.751 12.238 -3.099 1.00 0.78 O ATOM 427 CB THR A 31 0.541 15.297 -4.200 1.00 1.07 C ATOM 428 OG1 THR A 31 1.192 15.510 -5.458 1.00 1.72 O ATOM 429 CG2 THR A 31 1.440 15.775 -3.071 1.00 1.06 C ATOM 0 H THR A 31 -0.029 13.216 -2.030 1.00 0.88 H new ATOM 0 HA THR A 31 -0.448 13.503 -4.865 1.00 0.97 H new ATOM 0 HB THR A 31 -0.386 15.870 -4.170 1.00 1.07 H new ATOM 0 HG1 THR A 31 1.412 16.460 -5.556 1.00 1.72 H new ATOM 0 HG21 THR A 31 1.676 16.829 -3.215 1.00 1.06 H new ATOM 0 HG22 THR A 31 0.928 15.645 -2.118 1.00 1.06 H new ATOM 0 HG23 THR A 31 2.362 15.194 -3.070 1.00 1.06 H new ATOM 437 N GLU A 32 2.223 13.077 -5.135 1.00 0.93 N ATOM 438 CA GLU A 32 3.462 12.318 -5.296 1.00 0.95 C ATOM 439 C GLU A 32 4.561 12.809 -4.356 1.00 0.84 C ATOM 440 O GLU A 32 5.586 12.147 -4.190 1.00 0.91 O ATOM 441 CB GLU A 32 3.948 12.415 -6.743 1.00 1.15 C ATOM 442 CG GLU A 32 2.858 12.151 -7.768 1.00 1.47 C ATOM 443 CD GLU A 32 3.340 12.342 -9.193 1.00 1.59 C ATOM 444 OE1 GLU A 32 3.877 11.376 -9.773 1.00 1.56 O ATOM 445 OE2 GLU A 32 3.181 13.460 -9.727 1.00 1.98 O ATOM 0 H GLU A 32 2.002 13.688 -5.921 1.00 0.93 H new ATOM 0 HA GLU A 32 3.244 11.280 -5.043 1.00 0.95 H new ATOM 0 HB2 GLU A 32 4.362 13.409 -6.913 1.00 1.15 H new ATOM 0 HB3 GLU A 32 4.758 11.702 -6.894 1.00 1.15 H new ATOM 0 HG2 GLU A 32 2.489 11.133 -7.646 1.00 1.47 H new ATOM 0 HG3 GLU A 32 2.018 12.819 -7.580 1.00 1.47 H new ATOM 452 N GLU A 33 4.350 13.969 -3.744 1.00 0.80 N ATOM 453 CA GLU A 33 5.339 14.538 -2.834 1.00 0.79 C ATOM 454 C GLU A 33 5.163 14.016 -1.413 1.00 0.64 C ATOM 455 O GLU A 33 6.064 13.380 -0.864 1.00 0.70 O ATOM 456 CB GLU A 33 5.255 16.066 -2.846 1.00 0.97 C ATOM 457 CG GLU A 33 6.263 16.742 -1.929 1.00 1.63 C ATOM 458 CD GLU A 33 7.696 16.361 -2.249 1.00 2.05 C ATOM 459 OE1 GLU A 33 8.272 16.953 -3.185 1.00 2.36 O ATOM 460 OE2 GLU A 33 8.241 15.470 -1.563 1.00 2.64 O ATOM 0 H GLU A 33 3.507 14.532 -3.860 1.00 0.80 H new ATOM 0 HA GLU A 33 6.324 14.229 -3.184 1.00 0.79 H new ATOM 0 HB2 GLU A 33 5.409 16.421 -3.865 1.00 0.97 H new ATOM 0 HB3 GLU A 33 4.250 16.368 -2.552 1.00 0.97 H new ATOM 0 HG2 GLU A 33 6.153 17.823 -2.010 1.00 1.63 H new ATOM 0 HG3 GLU A 33 6.043 16.475 -0.895 1.00 1.63 H new ATOM 467 N LEU A 34 4.006 14.283 -0.817 1.00 0.54 N ATOM 468 CA LEU A 34 3.734 13.848 0.536 1.00 0.49 C ATOM 469 C LEU A 34 3.644 12.329 0.637 1.00 0.43 C ATOM 470 O LEU A 34 3.750 11.776 1.728 1.00 0.46 O ATOM 471 CB LEU A 34 2.445 14.496 1.038 1.00 0.57 C ATOM 472 CG LEU A 34 1.202 14.241 0.196 1.00 0.91 C ATOM 473 CD1 LEU A 34 0.520 12.954 0.630 1.00 1.75 C ATOM 474 CD2 LEU A 34 0.244 15.418 0.296 1.00 1.48 C ATOM 0 H LEU A 34 3.244 14.800 -1.256 1.00 0.54 H new ATOM 0 HA LEU A 34 4.566 14.164 1.165 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.253 14.142 2.051 1.00 0.57 H new ATOM 0 HB3 LEU A 34 2.603 15.573 1.101 1.00 0.57 H new ATOM 0 HG LEU A 34 1.504 14.132 -0.846 1.00 0.91 H new ATOM 0 HD11 LEU A 34 -0.366 12.788 0.018 1.00 1.75 H new ATOM 0 HD12 LEU A 34 1.208 12.118 0.507 1.00 1.75 H new ATOM 0 HD13 LEU A 34 0.228 13.032 1.677 1.00 1.75 H new ATOM 0 HD21 LEU A 34 -0.639 15.221 -0.311 1.00 1.48 H new ATOM 0 HD22 LEU A 34 -0.054 15.558 1.335 1.00 1.48 H new ATOM 0 HD23 LEU A 34 0.738 16.321 -0.064 1.00 1.48 H new ATOM 486 N LEU A 35 3.448 11.655 -0.496 1.00 0.45 N ATOM 487 CA LEU A 35 3.353 10.200 -0.505 1.00 0.49 C ATOM 488 C LEU A 35 4.521 9.594 0.267 1.00 0.43 C ATOM 489 O LEU A 35 4.371 8.585 0.955 1.00 0.50 O ATOM 490 CB LEU A 35 3.314 9.680 -1.952 1.00 0.63 C ATOM 491 CG LEU A 35 4.607 9.050 -2.489 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.725 7.593 -2.059 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.660 9.156 -4.005 1.00 1.08 C ATOM 0 H LEU A 35 3.353 12.092 -1.413 1.00 0.45 H new ATOM 0 HA LEU A 35 2.428 9.899 -0.013 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.517 8.940 -2.027 1.00 0.63 H new ATOM 0 HB3 LEU A 35 3.042 10.509 -2.605 1.00 0.63 H new ATOM 0 HG LEU A 35 5.449 9.599 -2.068 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.650 7.171 -2.453 1.00 0.89 H new ATOM 0 HD12 LEU A 35 4.734 7.534 -0.971 1.00 0.89 H new ATOM 0 HD13 LEU A 35 3.876 7.030 -2.446 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.583 8.705 -4.369 1.00 1.08 H new ATOM 0 HD22 LEU A 35 3.806 8.634 -4.436 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.629 10.206 -4.298 1.00 1.08 H new ATOM 505 N ARG A 36 5.681 10.228 0.147 1.00 0.38 N ATOM 506 CA ARG A 36 6.881 9.777 0.835 1.00 0.38 C ATOM 507 C ARG A 36 6.893 10.282 2.274 1.00 0.34 C ATOM 508 O ARG A 36 6.970 9.501 3.221 1.00 0.37 O ATOM 509 CB ARG A 36 8.126 10.269 0.081 1.00 0.46 C ATOM 510 CG ARG A 36 9.256 10.765 0.975 1.00 1.18 C ATOM 511 CD ARG A 36 10.325 11.485 0.174 1.00 1.73 C ATOM 512 NE ARG A 36 11.365 12.048 1.030 1.00 2.64 N ATOM 513 CZ ARG A 36 11.931 13.233 0.823 1.00 3.41 C ATOM 514 NH1 ARG A 36 11.548 13.988 -0.197 1.00 3.46 N ATOM 515 NH2 ARG A 36 12.881 13.667 1.641 1.00 4.28 N ATOM 0 H ARG A 36 5.815 11.062 -0.425 1.00 0.38 H new ATOM 0 HA ARG A 36 6.888 8.687 0.858 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.502 9.457 -0.541 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.832 11.075 -0.591 1.00 0.46 H new ATOM 0 HG2 ARG A 36 8.853 11.437 1.733 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.701 9.921 1.502 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.776 10.791 -0.535 1.00 1.73 H new ATOM 0 HD3 ARG A 36 9.865 12.282 -0.410 1.00 1.73 H new ATOM 0 HE ARG A 36 11.675 11.501 1.833 1.00 2.64 H new ATOM 0 HH11 ARG A 36 10.816 13.661 -0.827 1.00 3.46 H new ATOM 0 HH12 ARG A 36 11.985 14.896 -0.352 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.177 13.091 2.429 1.00 4.28 H new ATOM 0 HH22 ARG A 36 13.315 14.576 1.482 1.00 4.28 H new ATOM 529 N SER A 37 6.811 11.598 2.419 1.00 0.36 N ATOM 530 CA SER A 37 6.825 12.237 3.731 1.00 0.40 C ATOM 531 C SER A 37 5.755 11.665 4.663 1.00 0.40 C ATOM 532 O SER A 37 5.845 11.807 5.883 1.00 0.46 O ATOM 533 CB SER A 37 6.622 13.747 3.581 1.00 0.47 C ATOM 534 OG SER A 37 6.666 14.397 4.839 1.00 1.33 O ATOM 0 H SER A 37 6.733 12.249 1.638 1.00 0.36 H new ATOM 0 HA SER A 37 7.798 12.035 4.179 1.00 0.40 H new ATOM 0 HB2 SER A 37 7.393 14.157 2.929 1.00 0.47 H new ATOM 0 HB3 SER A 37 5.663 13.942 3.101 1.00 0.47 H new ATOM 0 HG SER A 37 6.535 15.360 4.714 1.00 1.33 H new ATOM 540 N GLN A 38 4.745 11.020 4.087 1.00 0.36 N ATOM 541 CA GLN A 38 3.648 10.456 4.871 1.00 0.39 C ATOM 542 C GLN A 38 4.097 9.301 5.768 1.00 0.43 C ATOM 543 O GLN A 38 3.974 9.384 6.990 1.00 0.67 O ATOM 544 CB GLN A 38 2.521 9.989 3.948 1.00 0.42 C ATOM 545 CG GLN A 38 1.530 11.086 3.591 1.00 0.74 C ATOM 546 CD GLN A 38 0.795 11.621 4.804 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.586 10.906 5.783 1.00 1.74 O ATOM 548 NE2 GLN A 38 0.396 12.887 4.743 1.00 1.84 N ATOM 0 H GLN A 38 4.662 10.874 3.081 1.00 0.36 H new ATOM 0 HA GLN A 38 3.286 11.251 5.523 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.956 9.591 3.031 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.986 9.170 4.428 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.059 11.903 3.101 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.807 10.698 2.874 1.00 0.74 H new ATOM 0 HE21 GLN A 38 0.591 13.444 3.911 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -0.105 13.302 5.528 1.00 1.84 H new ATOM 557 N LEU A 39 4.617 8.225 5.174 1.00 0.41 N ATOM 558 CA LEU A 39 5.046 7.073 5.961 1.00 0.53 C ATOM 559 C LEU A 39 6.469 6.637 5.618 1.00 0.51 C ATOM 560 O LEU A 39 7.116 5.952 6.410 1.00 0.61 O ATOM 561 CB LEU A 39 4.080 5.904 5.757 1.00 0.69 C ATOM 562 CG LEU A 39 2.630 6.184 6.157 1.00 0.78 C ATOM 563 CD1 LEU A 39 1.824 6.661 4.955 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.000 4.944 6.771 1.00 1.07 C ATOM 0 H LEU A 39 4.749 8.129 4.167 1.00 0.41 H new ATOM 0 HA LEU A 39 5.038 7.377 7.008 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.101 5.614 4.706 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.441 5.050 6.331 1.00 0.69 H new ATOM 0 HG LEU A 39 2.625 6.977 6.905 1.00 0.78 H new ATOM 0 HD11 LEU A 39 0.796 6.855 5.260 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.265 7.577 4.562 1.00 1.09 H new ATOM 0 HD13 LEU A 39 1.834 5.893 4.182 1.00 1.09 H new ATOM 0 HD21 LEU A 39 0.969 5.160 7.050 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.017 4.130 6.046 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.562 4.651 7.658 1.00 1.07 H new ATOM 576 N TYR A 40 6.950 7.027 4.442 1.00 0.46 N ATOM 577 CA TYR A 40 8.301 6.666 4.014 1.00 0.48 C ATOM 578 C TYR A 40 9.215 7.891 3.988 1.00 0.42 C ATOM 579 O TYR A 40 9.445 8.472 2.931 1.00 0.46 O ATOM 580 CB TYR A 40 8.269 6.010 2.628 1.00 0.58 C ATOM 581 CG TYR A 40 7.871 4.545 2.626 1.00 0.63 C ATOM 582 CD1 TYR A 40 7.266 3.979 3.742 1.00 0.99 C ATOM 583 CD2 TYR A 40 8.089 3.729 1.518 1.00 0.89 C ATOM 584 CE1 TYR A 40 6.890 2.651 3.756 1.00 1.38 C ATOM 585 CE2 TYR A 40 7.716 2.401 1.526 1.00 1.30 C ATOM 586 CZ TYR A 40 7.165 1.853 2.598 1.00 1.48 C ATOM 587 OH TYR A 40 6.743 0.543 2.656 1.00 1.97 O ATOM 0 H TYR A 40 6.429 7.590 3.770 1.00 0.46 H new ATOM 0 HA TYR A 40 8.699 5.953 4.736 1.00 0.48 H new ATOM 0 HB2 TYR A 40 7.573 6.562 1.996 1.00 0.58 H new ATOM 0 HB3 TYR A 40 9.255 6.105 2.174 1.00 0.58 H new ATOM 0 HD1 TYR A 40 7.087 4.590 4.615 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.558 4.143 0.638 1.00 0.89 H new ATOM 0 HE1 TYR A 40 6.400 2.224 4.619 1.00 1.38 H new ATOM 0 HE2 TYR A 40 7.876 1.799 0.644 1.00 1.30 H new ATOM 0 HH TYR A 40 6.976 0.087 1.821 1.00 1.97 H new ATOM 597 N PRO A 41 9.751 8.302 5.155 1.00 0.47 N ATOM 598 CA PRO A 41 10.639 9.465 5.248 1.00 0.51 C ATOM 599 C PRO A 41 12.035 9.177 4.710 1.00 0.57 C ATOM 600 O PRO A 41 12.758 10.091 4.314 1.00 0.79 O ATOM 601 CB PRO A 41 10.693 9.743 6.750 1.00 0.66 C ATOM 602 CG PRO A 41 10.468 8.416 7.384 1.00 0.75 C ATOM 603 CD PRO A 41 9.533 7.669 6.471 1.00 0.62 C ATOM 0 HA PRO A 41 10.276 10.304 4.654 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.655 10.164 7.041 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.928 10.460 7.048 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.408 7.877 7.504 1.00 0.75 H new ATOM 0 HG3 PRO A 41 10.035 8.528 8.378 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.763 6.604 6.446 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.496 7.764 6.794 1.00 0.62 H new ATOM 611 N GLU A 42 12.411 7.902 4.698 1.00 0.48 N ATOM 612 CA GLU A 42 13.724 7.498 4.210 1.00 0.55 C ATOM 613 C GLU A 42 13.709 7.308 2.696 1.00 0.57 C ATOM 614 O GLU A 42 14.701 7.576 2.020 1.00 0.71 O ATOM 615 CB GLU A 42 14.177 6.208 4.897 1.00 0.59 C ATOM 616 CG GLU A 42 13.228 5.040 4.688 1.00 0.58 C ATOM 617 CD GLU A 42 13.730 3.764 5.333 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.967 3.772 6.560 1.00 0.87 O ATOM 619 OE2 GLU A 42 13.892 2.758 4.611 1.00 0.94 O ATOM 0 H GLU A 42 11.825 7.132 5.020 1.00 0.48 H new ATOM 0 HA GLU A 42 14.431 8.292 4.450 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.164 5.935 4.523 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.281 6.393 5.966 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.251 5.292 5.100 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.091 4.874 3.620 1.00 0.58 H new ATOM 626 N VAL A 43 12.578 6.845 2.170 1.00 0.52 N ATOM 627 CA VAL A 43 12.443 6.626 0.737 1.00 0.60 C ATOM 628 C VAL A 43 12.154 7.947 0.018 1.00 0.51 C ATOM 629 O VAL A 43 11.199 8.643 0.359 1.00 0.52 O ATOM 630 CB VAL A 43 11.337 5.581 0.434 1.00 0.74 C ATOM 631 CG1 VAL A 43 10.333 6.086 -0.597 1.00 0.90 C ATOM 632 CG2 VAL A 43 11.965 4.275 -0.031 1.00 0.99 C ATOM 0 H VAL A 43 11.746 6.616 2.714 1.00 0.52 H new ATOM 0 HA VAL A 43 13.387 6.230 0.364 1.00 0.60 H new ATOM 0 HB VAL A 43 10.787 5.409 1.359 1.00 0.74 H new ATOM 0 HG11 VAL A 43 9.579 5.320 -0.776 1.00 0.90 H new ATOM 0 HG12 VAL A 43 9.851 6.989 -0.223 1.00 0.90 H new ATOM 0 HG13 VAL A 43 10.851 6.310 -1.530 1.00 0.90 H new ATOM 0 HG21 VAL A 43 11.180 3.548 -0.241 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.546 4.453 -0.936 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.619 3.887 0.750 1.00 0.99 H new ATOM 642 N PRO A 44 12.987 8.323 -0.972 1.00 0.56 N ATOM 643 CA PRO A 44 12.806 9.563 -1.728 1.00 0.54 C ATOM 644 C PRO A 44 11.643 9.467 -2.710 1.00 0.54 C ATOM 645 O PRO A 44 11.189 8.369 -3.034 1.00 0.60 O ATOM 646 CB PRO A 44 14.131 9.733 -2.492 1.00 0.64 C ATOM 647 CG PRO A 44 15.047 8.682 -1.957 1.00 0.67 C ATOM 648 CD PRO A 44 14.166 7.587 -1.437 1.00 0.76 C ATOM 0 HA PRO A 44 12.573 10.403 -1.073 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.982 9.612 -3.565 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.546 10.729 -2.338 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.711 8.310 -2.737 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.679 9.083 -1.165 1.00 0.67 H new ATOM 0 HD2 PRO A 44 13.914 6.866 -2.214 1.00 0.76 H new ATOM 0 HD3 PRO A 44 14.643 7.032 -0.629 1.00 0.76 H new ATOM 656 N PRO A 45 11.138 10.615 -3.198 1.00 0.56 N ATOM 657 CA PRO A 45 10.027 10.649 -4.150 1.00 0.67 C ATOM 658 C PRO A 45 10.446 10.174 -5.539 1.00 0.77 C ATOM 659 O PRO A 45 9.716 10.353 -6.513 1.00 1.08 O ATOM 660 CB PRO A 45 9.623 12.132 -4.188 1.00 0.72 C ATOM 661 CG PRO A 45 10.329 12.761 -3.033 1.00 0.63 C ATOM 662 CD PRO A 45 11.588 11.970 -2.862 1.00 0.56 C ATOM 0 HA PRO A 45 9.215 9.986 -3.851 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.917 12.596 -5.129 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.543 12.248 -4.100 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.548 13.811 -3.230 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.717 12.726 -2.132 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.381 12.314 -3.526 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.975 12.032 -1.845 1.00 0.56 H new ATOM 670 N GLU A 46 11.629 9.569 -5.619 1.00 0.65 N ATOM 671 CA GLU A 46 12.154 9.063 -6.882 1.00 0.77 C ATOM 672 C GLU A 46 12.621 7.617 -6.734 1.00 0.71 C ATOM 673 O GLU A 46 12.341 6.773 -7.585 1.00 0.81 O ATOM 674 CB GLU A 46 13.312 9.939 -7.367 1.00 0.92 C ATOM 675 CG GLU A 46 12.903 11.364 -7.704 1.00 1.61 C ATOM 676 CD GLU A 46 11.977 11.440 -8.903 1.00 2.17 C ATOM 677 OE1 GLU A 46 12.483 11.561 -10.037 1.00 2.25 O ATOM 678 OE2 GLU A 46 10.745 11.379 -8.705 1.00 3.02 O ATOM 0 H GLU A 46 12.244 9.417 -4.819 1.00 0.65 H new ATOM 0 HA GLU A 46 11.352 9.095 -7.620 1.00 0.77 H new ATOM 0 HB2 GLU A 46 14.083 9.965 -6.597 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.758 9.480 -8.250 1.00 0.92 H new ATOM 0 HG2 GLU A 46 12.410 11.810 -6.840 1.00 1.61 H new ATOM 0 HG3 GLU A 46 13.796 11.957 -7.902 1.00 1.61 H new ATOM 685 N GLU A 47 13.335 7.339 -5.644 1.00 0.63 N ATOM 686 CA GLU A 47 13.842 5.995 -5.378 1.00 0.66 C ATOM 687 C GLU A 47 12.805 5.158 -4.635 1.00 0.55 C ATOM 688 O GLU A 47 13.141 4.169 -3.986 1.00 0.59 O ATOM 689 CB GLU A 47 15.130 6.066 -4.559 1.00 0.81 C ATOM 690 CG GLU A 47 16.303 6.667 -5.314 1.00 1.25 C ATOM 691 CD GLU A 47 17.581 6.662 -4.500 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.792 7.614 -3.719 1.00 1.58 O ATOM 693 OE2 GLU A 47 18.372 5.706 -4.642 1.00 1.62 O ATOM 0 H GLU A 47 13.575 8.028 -4.931 1.00 0.63 H new ATOM 0 HA GLU A 47 14.051 5.519 -6.336 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.947 6.656 -3.661 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.397 5.061 -4.231 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.462 6.109 -6.237 1.00 1.25 H new ATOM 0 HG3 GLU A 47 16.061 7.691 -5.599 1.00 1.25 H new ATOM 700 N PHE A 48 11.550 5.569 -4.728 1.00 0.48 N ATOM 701 CA PHE A 48 10.457 4.863 -4.069 1.00 0.45 C ATOM 702 C PHE A 48 10.042 3.621 -4.859 1.00 0.41 C ATOM 703 O PHE A 48 9.478 2.680 -4.301 1.00 0.45 O ATOM 704 CB PHE A 48 9.259 5.800 -3.897 1.00 0.54 C ATOM 705 CG PHE A 48 8.642 6.240 -5.196 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.265 7.192 -5.983 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.440 5.704 -5.628 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.705 7.602 -7.176 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.873 6.109 -6.822 1.00 2.36 C ATOM 710 CZ PHE A 48 7.495 7.048 -7.596 1.00 3.35 C ATOM 0 H PHE A 48 11.260 6.392 -5.256 1.00 0.48 H new ATOM 0 HA PHE A 48 10.806 4.538 -3.089 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.500 5.298 -3.297 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.576 6.681 -3.339 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.202 7.620 -5.660 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.940 4.961 -5.025 1.00 1.41 H new ATOM 0 HE1 PHE A 48 9.200 8.347 -7.781 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.935 5.682 -7.144 1.00 2.36 H new ATOM 0 HZ PHE A 48 7.051 7.360 -8.530 1.00 3.35 H new ATOM 720 N ARG A 49 10.331 3.628 -6.156 1.00 0.43 N ATOM 721 CA ARG A 49 9.974 2.515 -7.035 1.00 0.47 C ATOM 722 C ARG A 49 10.667 1.205 -6.644 1.00 0.49 C ATOM 723 O ARG A 49 10.004 0.176 -6.537 1.00 0.52 O ATOM 724 CB ARG A 49 10.306 2.863 -8.483 1.00 0.58 C ATOM 725 CG ARG A 49 9.489 4.022 -9.025 1.00 1.06 C ATOM 726 CD ARG A 49 8.063 3.601 -9.345 1.00 1.14 C ATOM 727 NE ARG A 49 8.016 2.543 -10.353 1.00 1.80 N ATOM 728 CZ ARG A 49 6.952 1.772 -10.564 1.00 2.30 C ATOM 729 NH1 ARG A 49 5.854 1.938 -9.838 1.00 2.42 N ATOM 730 NH2 ARG A 49 6.985 0.836 -11.502 1.00 3.07 N ATOM 0 H ARG A 49 10.813 4.394 -6.625 1.00 0.43 H new ATOM 0 HA ARG A 49 8.901 2.357 -6.926 1.00 0.47 H new ATOM 0 HB2 ARG A 49 11.365 3.109 -8.557 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.138 1.986 -9.108 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.475 4.831 -8.294 1.00 1.06 H new ATOM 0 HG3 ARG A 49 9.964 4.413 -9.925 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.574 3.255 -8.434 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.501 4.465 -9.700 1.00 1.14 H new ATOM 0 HE ARG A 49 8.845 2.387 -10.927 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.824 2.658 -9.116 1.00 2.42 H new ATOM 0 HH12 ARG A 49 5.040 1.346 -10.002 1.00 2.42 H new ATOM 0 HH21 ARG A 49 7.827 0.706 -12.063 1.00 3.07 H new ATOM 0 HH22 ARG A 49 6.169 0.246 -11.663 1.00 3.07 H new ATOM 744 N PRO A 50 12.005 1.201 -6.441 1.00 0.52 N ATOM 745 CA PRO A 50 12.727 -0.019 -6.066 1.00 0.59 C ATOM 746 C PRO A 50 12.101 -0.705 -4.858 1.00 0.58 C ATOM 747 O PRO A 50 12.353 -1.881 -4.598 1.00 0.68 O ATOM 748 CB PRO A 50 14.149 0.461 -5.743 1.00 0.63 C ATOM 749 CG PRO A 50 14.075 1.951 -5.691 1.00 0.58 C ATOM 750 CD PRO A 50 12.913 2.351 -6.556 1.00 0.54 C ATOM 0 HA PRO A 50 12.702 -0.761 -6.864 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.492 0.053 -4.792 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.855 0.131 -6.505 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.934 2.297 -4.667 1.00 0.58 H new ATOM 0 HG3 PRO A 50 15.001 2.398 -6.054 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.446 3.271 -6.204 1.00 0.54 H new ATOM 0 HD3 PRO A 50 13.218 2.523 -7.588 1.00 0.54 H new ATOM 758 N PHE A 51 11.282 0.042 -4.126 1.00 0.49 N ATOM 759 CA PHE A 51 10.599 -0.495 -2.960 1.00 0.51 C ATOM 760 C PHE A 51 9.121 -0.699 -3.259 1.00 0.45 C ATOM 761 O PHE A 51 8.452 -1.497 -2.600 1.00 0.52 O ATOM 762 CB PHE A 51 10.770 0.430 -1.755 1.00 0.60 C ATOM 763 CG PHE A 51 11.765 -0.081 -0.753 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.552 -1.286 -0.102 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.912 0.640 -0.464 1.00 1.44 C ATOM 766 CE1 PHE A 51 12.464 -1.762 0.821 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.829 0.168 0.458 1.00 2.02 C ATOM 768 CZ PHE A 51 13.605 -1.034 1.100 1.00 2.20 C ATOM 0 H PHE A 51 11.076 1.022 -4.322 1.00 0.49 H new ATOM 0 HA PHE A 51 11.046 -1.459 -2.719 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.086 1.414 -2.102 1.00 0.60 H new ATOM 0 HB3 PHE A 51 9.805 0.560 -1.265 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.663 -1.860 -0.319 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.092 1.580 -0.964 1.00 1.44 H new ATOM 0 HE1 PHE A 51 12.285 -2.701 1.323 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.719 0.739 0.676 1.00 2.02 H new ATOM 0 HZ PHE A 51 14.321 -1.405 1.819 1.00 2.20 H new ATOM 778 N LEU A 52 8.609 0.023 -4.256 1.00 0.40 N ATOM 779 CA LEU A 52 7.209 -0.107 -4.634 1.00 0.43 C ATOM 780 C LEU A 52 7.035 -1.196 -5.683 1.00 0.44 C ATOM 781 O LEU A 52 5.914 -1.579 -6.004 1.00 0.50 O ATOM 782 CB LEU A 52 6.645 1.219 -5.160 1.00 0.55 C ATOM 783 CG LEU A 52 6.330 2.291 -4.107 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.255 3.232 -4.626 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.889 1.668 -2.790 1.00 1.15 C ATOM 0 H LEU A 52 9.139 0.696 -4.809 1.00 0.40 H new ATOM 0 HA LEU A 52 6.653 -0.383 -3.738 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.359 1.637 -5.870 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.731 1.006 -5.715 1.00 0.55 H new ATOM 0 HG LEU A 52 7.244 2.855 -3.920 1.00 0.56 H new ATOM 0 HD11 LEU A 52 5.039 3.989 -3.872 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.605 3.717 -5.537 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.349 2.666 -4.842 1.00 1.33 H new ATOM 0 HD21 LEU A 52 5.674 2.456 -2.068 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.992 1.071 -2.952 1.00 1.15 H new ATOM 0 HD23 LEU A 52 6.685 1.030 -2.405 1.00 1.15 H new ATOM 797 N ALA A 53 8.145 -1.697 -6.215 1.00 0.48 N ATOM 798 CA ALA A 53 8.087 -2.750 -7.217 1.00 0.59 C ATOM 799 C ALA A 53 7.335 -3.948 -6.660 1.00 0.60 C ATOM 800 O ALA A 53 6.844 -4.798 -7.405 1.00 0.76 O ATOM 801 CB ALA A 53 9.486 -3.148 -7.664 1.00 0.67 C ATOM 0 H ALA A 53 9.087 -1.393 -5.970 1.00 0.48 H new ATOM 0 HA ALA A 53 7.554 -2.376 -8.091 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.418 -3.937 -8.413 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.991 -2.282 -8.093 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.053 -3.510 -6.806 1.00 0.67 H new ATOM 807 N LYS A 54 7.254 -3.997 -5.336 1.00 0.51 N ATOM 808 CA LYS A 54 6.555 -5.063 -4.639 1.00 0.55 C ATOM 809 C LYS A 54 5.411 -4.488 -3.806 1.00 0.48 C ATOM 810 O LYS A 54 4.634 -5.228 -3.201 1.00 0.57 O ATOM 811 CB LYS A 54 7.520 -5.829 -3.736 1.00 0.62 C ATOM 812 CG LYS A 54 8.771 -6.313 -4.449 1.00 0.76 C ATOM 813 CD LYS A 54 9.971 -5.441 -4.120 1.00 0.94 C ATOM 814 CE LYS A 54 10.496 -5.714 -2.719 1.00 1.21 C ATOM 815 NZ LYS A 54 11.672 -4.861 -2.391 1.00 1.84 N ATOM 0 H LYS A 54 7.671 -3.300 -4.719 1.00 0.51 H new ATOM 0 HA LYS A 54 6.145 -5.749 -5.380 1.00 0.55 H new ATOM 0 HB2 LYS A 54 7.812 -5.188 -2.904 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.001 -6.687 -3.310 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.979 -7.344 -4.162 1.00 0.76 H new ATOM 0 HG3 LYS A 54 8.602 -6.310 -5.526 1.00 0.76 H new ATOM 0 HD2 LYS A 54 10.763 -5.622 -4.847 1.00 0.94 H new ATOM 0 HD3 LYS A 54 9.693 -4.391 -4.206 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.703 -5.534 -1.993 1.00 1.21 H new ATOM 0 HE3 LYS A 54 10.774 -6.764 -2.634 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.000 -5.077 -1.428 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 12.438 -5.051 -3.068 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 11.400 -3.859 -2.447 1.00 1.84 H new ATOM 829 N MET A 55 5.318 -3.161 -3.786 1.00 0.38 N ATOM 830 CA MET A 55 4.281 -2.470 -3.026 1.00 0.34 C ATOM 831 C MET A 55 3.406 -1.602 -3.935 1.00 0.33 C ATOM 832 O MET A 55 2.707 -0.708 -3.459 1.00 0.35 O ATOM 833 CB MET A 55 4.918 -1.596 -1.938 1.00 0.33 C ATOM 834 CG MET A 55 5.222 -2.338 -0.642 1.00 0.42 C ATOM 835 SD MET A 55 3.736 -2.980 0.151 1.00 1.95 S ATOM 836 CE MET A 55 2.857 -1.462 0.513 1.00 2.78 C ATOM 0 H MET A 55 5.952 -2.541 -4.290 1.00 0.38 H new ATOM 0 HA MET A 55 3.648 -3.227 -2.563 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.843 -1.169 -2.325 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.250 -0.763 -1.719 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.904 -3.163 -0.851 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.735 -1.666 0.046 1.00 0.42 H new ATOM 0 HE1 MET A 55 2.107 -1.650 1.281 1.00 2.78 H new ATOM 0 HE2 MET A 55 3.561 -0.710 0.869 1.00 2.78 H new ATOM 0 HE3 MET A 55 2.367 -1.101 -0.391 1.00 2.78 H new ATOM 846 N ARG A 56 3.437 -1.870 -5.242 1.00 0.37 N ATOM 847 CA ARG A 56 2.643 -1.094 -6.196 1.00 0.42 C ATOM 848 C ARG A 56 1.400 -1.860 -6.647 1.00 0.41 C ATOM 849 O ARG A 56 0.369 -1.262 -6.946 1.00 0.43 O ATOM 850 CB ARG A 56 3.488 -0.718 -7.420 1.00 0.54 C ATOM 851 CG ARG A 56 3.577 -1.815 -8.470 1.00 1.09 C ATOM 852 CD ARG A 56 4.986 -1.953 -9.012 1.00 1.35 C ATOM 853 NE ARG A 56 5.049 -2.864 -10.152 1.00 1.81 N ATOM 854 CZ ARG A 56 6.165 -3.126 -10.827 1.00 2.37 C ATOM 855 NH1 ARG A 56 7.307 -2.548 -10.477 1.00 2.58 N ATOM 856 NH2 ARG A 56 6.140 -3.967 -11.850 1.00 3.05 N ATOM 0 H ARG A 56 3.998 -2.612 -5.661 1.00 0.37 H new ATOM 0 HA ARG A 56 2.320 -0.186 -5.687 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.067 0.177 -7.879 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.495 -0.463 -7.089 1.00 0.54 H new ATOM 0 HG2 ARG A 56 3.259 -2.763 -8.035 1.00 1.09 H new ATOM 0 HG3 ARG A 56 2.892 -1.593 -9.288 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.357 -0.973 -9.311 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.644 -2.315 -8.222 1.00 1.35 H new ATOM 0 HE ARG A 56 4.189 -3.325 -10.447 1.00 1.81 H new ATOM 0 HH11 ARG A 56 7.331 -1.901 -9.689 1.00 2.58 H new ATOM 0 HH12 ARG A 56 8.161 -2.751 -10.996 1.00 2.58 H new ATOM 0 HH21 ARG A 56 5.264 -4.415 -12.121 1.00 3.05 H new ATOM 0 HH22 ARG A 56 6.996 -4.167 -12.367 1.00 3.05 H new ATOM 870 N GLY A 57 1.507 -3.184 -6.695 1.00 0.43 N ATOM 871 CA GLY A 57 0.390 -4.005 -7.127 1.00 0.45 C ATOM 872 C GLY A 57 -0.864 -3.790 -6.300 1.00 0.39 C ATOM 873 O GLY A 57 -1.977 -3.964 -6.797 1.00 0.48 O ATOM 0 H GLY A 57 2.348 -3.704 -6.442 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.170 -3.787 -8.172 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.677 -5.055 -7.074 1.00 0.45 H new ATOM 877 N ILE A 58 -0.688 -3.412 -5.039 1.00 0.41 N ATOM 878 CA ILE A 58 -1.815 -3.174 -4.149 1.00 0.39 C ATOM 879 C ILE A 58 -2.334 -1.752 -4.308 1.00 0.40 C ATOM 880 O ILE A 58 -3.542 -1.517 -4.299 1.00 0.47 O ATOM 881 CB ILE A 58 -1.432 -3.416 -2.680 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.752 -4.775 -2.538 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.663 -3.336 -1.789 1.00 0.43 C ATOM 884 CD1 ILE A 58 0.759 -4.702 -2.538 1.00 0.71 C ATOM 0 H ILE A 58 0.226 -3.264 -4.611 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.599 -3.879 -4.425 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.734 -2.641 -2.364 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -1.084 -5.243 -1.611 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -1.076 -5.420 -3.355 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.374 -3.510 -0.753 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -3.114 -2.348 -1.879 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.384 -4.093 -2.096 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.172 -5.705 -2.434 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.102 -4.264 -3.475 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.093 -4.084 -1.705 1.00 0.71 H new ATOM 896 N LEU A 59 -1.411 -0.807 -4.455 1.00 0.44 N ATOM 897 CA LEU A 59 -1.773 0.594 -4.627 1.00 0.49 C ATOM 898 C LEU A 59 -2.610 0.773 -5.887 1.00 0.52 C ATOM 899 O LEU A 59 -3.700 1.336 -5.844 1.00 0.56 O ATOM 900 CB LEU A 59 -0.510 1.469 -4.694 1.00 0.58 C ATOM 901 CG LEU A 59 -0.737 2.970 -4.936 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.931 3.263 -6.418 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.927 3.476 -4.131 1.00 1.71 C ATOM 0 H LEU A 59 -0.407 -0.987 -4.458 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.366 0.908 -3.768 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.038 1.352 -3.759 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.130 1.087 -5.489 1.00 0.58 H new ATOM 0 HG LEU A 59 0.154 3.499 -4.600 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.090 4.332 -6.560 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.044 2.951 -6.970 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.798 2.716 -6.787 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -2.067 4.540 -4.319 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.824 2.934 -4.428 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.742 3.317 -3.069 1.00 1.71 H new ATOM 915 N LYS A 60 -2.084 0.291 -7.004 1.00 0.59 N ATOM 916 CA LYS A 60 -2.769 0.388 -8.287 1.00 0.68 C ATOM 917 C LYS A 60 -4.123 -0.314 -8.243 1.00 0.65 C ATOM 918 O LYS A 60 -5.088 0.136 -8.861 1.00 0.74 O ATOM 919 CB LYS A 60 -1.892 -0.229 -9.382 1.00 0.80 C ATOM 920 CG LYS A 60 -2.565 -0.314 -10.743 1.00 0.92 C ATOM 921 CD LYS A 60 -3.248 -1.661 -10.954 1.00 1.07 C ATOM 922 CE LYS A 60 -2.238 -2.796 -11.041 1.00 1.10 C ATOM 923 NZ LYS A 60 -2.898 -4.112 -11.263 1.00 1.60 N ATOM 0 H LYS A 60 -1.178 -0.175 -7.048 1.00 0.59 H new ATOM 0 HA LYS A 60 -2.944 1.441 -8.507 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -0.979 0.360 -9.476 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.595 -1.231 -9.073 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.301 0.485 -10.835 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.823 -0.156 -11.526 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -3.939 -1.851 -10.133 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -3.840 -1.630 -11.869 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.540 -2.599 -11.854 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -1.654 -2.833 -10.121 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -2.175 -4.858 -11.316 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -3.546 -4.313 -10.475 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -3.435 -4.085 -12.154 1.00 1.60 H new ATOM 937 N SER A 61 -4.184 -1.418 -7.509 1.00 0.55 N ATOM 938 CA SER A 61 -5.409 -2.202 -7.399 1.00 0.55 C ATOM 939 C SER A 61 -6.512 -1.442 -6.664 1.00 0.57 C ATOM 940 O SER A 61 -7.664 -1.447 -7.088 1.00 0.71 O ATOM 941 CB SER A 61 -5.127 -3.517 -6.675 1.00 0.51 C ATOM 942 OG SER A 61 -6.262 -4.365 -6.702 1.00 1.20 O ATOM 0 H SER A 61 -3.397 -1.792 -6.979 1.00 0.55 H new ATOM 0 HA SER A 61 -5.758 -2.402 -8.412 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.281 -4.020 -7.144 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.845 -3.314 -5.642 1.00 0.51 H new ATOM 0 HG SER A 61 -5.971 -5.301 -6.694 1.00 1.20 H new ATOM 948 N ILE A 62 -6.157 -0.802 -5.557 1.00 0.50 N ATOM 949 CA ILE A 62 -7.130 -0.061 -4.759 1.00 0.56 C ATOM 950 C ILE A 62 -7.365 1.351 -5.296 1.00 0.64 C ATOM 951 O ILE A 62 -8.442 1.919 -5.117 1.00 0.70 O ATOM 952 CB ILE A 62 -6.681 0.040 -3.288 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.283 -1.340 -2.757 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.790 0.645 -2.438 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.685 -1.306 -1.365 1.00 0.79 C ATOM 0 H ILE A 62 -5.205 -0.780 -5.191 1.00 0.50 H new ATOM 0 HA ILE A 62 -8.063 -0.620 -4.825 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.810 0.693 -3.231 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -7.162 -1.985 -2.750 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.564 -1.790 -3.441 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.459 0.710 -1.401 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -8.028 1.643 -2.807 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.678 0.015 -2.497 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.427 -2.319 -1.055 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.787 -0.688 -1.370 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -6.410 -0.886 -0.668 1.00 0.79 H new ATOM 967 N ALA A 63 -6.356 1.917 -5.948 1.00 0.68 N ATOM 968 CA ALA A 63 -6.458 3.273 -6.476 1.00 0.79 C ATOM 969 C ALA A 63 -7.118 3.330 -7.852 1.00 0.84 C ATOM 970 O ALA A 63 -8.184 3.926 -8.012 1.00 0.90 O ATOM 971 CB ALA A 63 -5.079 3.915 -6.525 1.00 0.88 C ATOM 0 H ALA A 63 -5.461 1.460 -6.123 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.103 3.831 -5.798 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.163 4.927 -6.920 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.659 3.952 -5.520 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.426 3.327 -7.170 1.00 0.88 H new ATOM 977 N SER A 64 -6.485 2.710 -8.842 1.00 0.88 N ATOM 978 CA SER A 64 -7.004 2.722 -10.207 1.00 1.00 C ATOM 979 C SER A 64 -8.237 1.836 -10.360 1.00 0.96 C ATOM 980 O SER A 64 -9.228 2.241 -10.966 1.00 1.11 O ATOM 981 CB SER A 64 -5.921 2.271 -11.189 1.00 1.13 C ATOM 982 OG SER A 64 -4.799 3.136 -11.144 1.00 1.56 O ATOM 0 H SER A 64 -5.613 2.193 -8.726 1.00 0.88 H new ATOM 0 HA SER A 64 -7.300 3.747 -10.430 1.00 1.00 H new ATOM 0 HB2 SER A 64 -5.610 1.254 -10.950 1.00 1.13 H new ATOM 0 HB3 SER A 64 -6.328 2.251 -12.200 1.00 1.13 H new ATOM 0 HG SER A 64 -4.121 2.825 -11.779 1.00 1.56 H new ATOM 988 N ALA A 65 -8.173 0.630 -9.809 1.00 0.84 N ATOM 989 CA ALA A 65 -9.281 -0.312 -9.909 1.00 0.84 C ATOM 990 C ALA A 65 -10.264 -0.169 -8.752 1.00 0.75 C ATOM 991 O ALA A 65 -11.475 -0.285 -8.940 1.00 0.82 O ATOM 992 CB ALA A 65 -8.744 -1.732 -9.968 1.00 0.83 C ATOM 0 H ALA A 65 -7.367 0.282 -9.289 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.826 -0.086 -10.825 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.576 -2.433 -10.043 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -8.098 -1.841 -10.839 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.172 -1.943 -9.064 1.00 0.83 H new ATOM 998 N ASP A 66 -9.740 0.082 -7.557 1.00 0.65 N ATOM 999 CA ASP A 66 -10.574 0.228 -6.369 1.00 0.65 C ATOM 1000 C ASP A 66 -11.407 -1.029 -6.137 1.00 0.66 C ATOM 1001 O ASP A 66 -12.571 -1.101 -6.537 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.486 1.450 -6.498 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.375 1.640 -5.285 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -11.897 2.213 -4.283 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.550 1.219 -5.339 1.00 1.53 O ATOM 0 H ASP A 66 -8.740 0.189 -7.385 1.00 0.65 H new ATOM 0 HA ASP A 66 -9.918 0.372 -5.510 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -10.876 2.342 -6.641 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.107 1.344 -7.387 1.00 0.75 H new ATOM 1010 N MET A 67 -10.801 -2.022 -5.496 1.00 0.55 N ATOM 1011 CA MET A 67 -11.479 -3.281 -5.212 1.00 0.55 C ATOM 1012 C MET A 67 -12.270 -3.193 -3.913 1.00 0.65 C ATOM 1013 O MET A 67 -12.427 -2.113 -3.341 1.00 0.81 O ATOM 1014 CB MET A 67 -10.462 -4.421 -5.125 1.00 0.49 C ATOM 1015 CG MET A 67 -9.599 -4.563 -6.368 1.00 0.49 C ATOM 1016 SD MET A 67 -10.556 -4.980 -7.837 1.00 1.00 S ATOM 1017 CE MET A 67 -9.255 -5.132 -9.058 1.00 1.52 C ATOM 0 H MET A 67 -9.838 -1.979 -5.162 1.00 0.55 H new ATOM 0 HA MET A 67 -12.175 -3.482 -6.027 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.817 -4.256 -4.262 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.992 -5.357 -4.952 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.063 -3.630 -6.542 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.848 -5.335 -6.198 1.00 0.49 H new ATOM 0 HE1 MET A 67 -9.671 -4.980 -10.054 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.487 -4.382 -8.867 1.00 1.52 H new ATOM 0 HE3 MET A 67 -8.813 -6.127 -8.997 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.768 -4.335 -3.452 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.542 -4.391 -2.216 1.00 0.77 C ATOM 1029 C ASP A 68 -13.143 -5.604 -1.381 1.00 0.67 C ATOM 1030 O ASP A 68 -12.540 -5.464 -0.317 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.039 -4.435 -2.526 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.510 -3.204 -3.276 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.872 -2.209 -2.614 1.00 1.91 O ATOM 1034 OD2 ASP A 68 -15.516 -3.236 -4.524 1.00 1.92 O ATOM 0 H ASP A 68 -12.650 -5.236 -3.916 1.00 0.64 H new ATOM 0 HA ASP A 68 -13.328 -3.491 -1.640 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -15.259 -5.324 -3.117 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.598 -4.526 -1.595 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.482 -6.795 -1.870 1.00 0.74 N ATOM 1040 CA PHE A 69 -13.158 -8.029 -1.164 1.00 0.83 C ATOM 1041 C PHE A 69 -13.096 -9.215 -2.125 1.00 0.99 C ATOM 1042 O PHE A 69 -13.688 -9.183 -3.204 1.00 1.85 O ATOM 1043 CB PHE A 69 -14.192 -8.298 -0.070 1.00 1.00 C ATOM 1044 CG PHE A 69 -15.605 -8.361 -0.577 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -16.347 -7.203 -0.744 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -16.190 -9.580 -0.884 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -17.647 -7.259 -1.211 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -17.490 -9.641 -1.350 1.00 2.52 C ATOM 1049 CZ PHE A 69 -18.219 -8.476 -1.514 1.00 3.05 C ATOM 0 H PHE A 69 -13.980 -6.930 -2.750 1.00 0.74 H new ATOM 0 HA PHE A 69 -12.175 -7.908 -0.708 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -13.950 -9.240 0.423 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -14.121 -7.515 0.685 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.905 -6.246 -0.507 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -15.624 -10.491 -0.758 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -18.215 -6.349 -1.338 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -17.936 -10.596 -1.586 1.00 2.52 H new ATOM 0 HZ PHE A 69 -19.235 -8.520 -1.879 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.363 -10.253 -1.721 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.212 -11.467 -2.524 1.00 0.89 C ATOM 1061 C ASN A 70 -11.442 -11.192 -3.817 1.00 0.83 C ATOM 1062 O ASN A 70 -11.155 -12.110 -4.585 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.582 -12.072 -2.843 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.477 -13.426 -3.519 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.446 -13.519 -4.747 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -13.419 -14.484 -2.719 1.00 2.40 N ATOM 0 H ASN A 70 -11.860 -10.277 -0.834 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.636 -12.182 -1.936 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.154 -12.174 -1.921 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.135 -11.390 -3.488 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -13.346 -15.421 -3.116 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -13.448 -14.360 -1.707 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.105 -9.928 -4.050 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.366 -9.542 -5.247 1.00 0.68 C ATOM 1075 C GLN A 71 -8.895 -9.304 -4.924 1.00 0.58 C ATOM 1076 O GLN A 71 -8.010 -9.687 -5.689 1.00 0.72 O ATOM 1077 CB GLN A 71 -10.974 -8.282 -5.866 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.384 -8.484 -6.398 1.00 0.88 C ATOM 1079 CD GLN A 71 -12.446 -9.511 -7.511 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -11.490 -9.682 -8.268 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -13.575 -10.201 -7.617 1.00 1.90 N ATOM 0 H GLN A 71 -11.332 -9.154 -3.426 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.435 -10.359 -5.965 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.987 -7.490 -5.117 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.333 -7.941 -6.679 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.035 -8.799 -5.582 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.770 -7.533 -6.765 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -14.342 -10.027 -6.968 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -13.675 -10.906 -8.348 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.644 -8.667 -3.785 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.282 -8.377 -3.354 1.00 0.39 C ATOM 1092 C LEU A 72 -6.682 -9.560 -2.603 1.00 0.41 C ATOM 1093 O LEU A 72 -5.468 -9.766 -2.619 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.257 -7.139 -2.462 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.313 -5.799 -3.191 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.508 -4.670 -2.195 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -6.045 -5.580 -4.002 1.00 1.06 C ATOM 0 H LEU A 72 -9.367 -8.342 -3.143 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.684 -8.190 -4.246 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.100 -7.193 -1.773 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.350 -7.166 -1.859 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.160 -5.810 -3.877 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.546 -3.719 -2.726 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.441 -4.821 -1.652 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.676 -4.659 -1.490 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -6.102 -4.620 -4.515 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.182 -5.585 -3.336 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -5.941 -6.378 -4.737 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.540 -10.324 -1.936 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.101 -11.489 -1.176 1.00 0.57 C ATOM 1111 C GLU A 73 -6.267 -12.423 -2.051 1.00 0.59 C ATOM 1112 O GLU A 73 -5.251 -12.960 -1.609 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.314 -12.236 -0.609 1.00 0.67 C ATOM 1114 CG GLU A 73 -7.962 -13.305 0.417 1.00 0.75 C ATOM 1115 CD GLU A 73 -7.369 -14.552 -0.209 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -8.098 -15.254 -0.942 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -6.175 -14.829 0.033 1.00 2.25 O ATOM 0 H GLU A 73 -8.546 -10.157 -1.906 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.478 -11.147 -0.350 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -8.989 -11.514 -0.149 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -8.857 -12.702 -1.431 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.253 -12.893 1.135 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -8.859 -13.576 0.974 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.700 -12.602 -3.295 1.00 0.62 N ATOM 1125 CA ALA A 74 -5.997 -13.471 -4.232 1.00 0.70 C ATOM 1126 C ALA A 74 -4.645 -12.886 -4.629 1.00 0.57 C ATOM 1127 O ALA A 74 -3.738 -13.617 -5.026 1.00 0.60 O ATOM 1128 CB ALA A 74 -6.852 -13.712 -5.467 1.00 0.89 C ATOM 0 H ALA A 74 -7.534 -12.157 -3.677 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.814 -14.423 -3.734 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.317 -14.362 -6.159 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.789 -14.187 -5.174 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.064 -12.760 -5.954 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.515 -11.567 -4.520 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.269 -10.892 -4.873 1.00 0.46 C ATOM 1136 C PHE A 75 -2.240 -11.006 -3.752 1.00 0.38 C ATOM 1137 O PHE A 75 -1.052 -11.207 -4.003 1.00 0.47 O ATOM 1138 CB PHE A 75 -3.526 -9.416 -5.191 1.00 0.55 C ATOM 1139 CG PHE A 75 -2.271 -8.653 -5.503 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -1.494 -8.123 -4.485 1.00 0.67 C ATOM 1141 CD2 PHE A 75 -1.875 -8.453 -6.816 1.00 0.76 C ATOM 1142 CE1 PHE A 75 -0.349 -7.406 -4.772 1.00 0.82 C ATOM 1143 CE2 PHE A 75 -0.731 -7.739 -7.109 1.00 0.88 C ATOM 1144 CZ PHE A 75 0.067 -7.268 -6.076 1.00 0.91 C ATOM 0 H PHE A 75 -5.254 -10.946 -4.191 1.00 0.49 H new ATOM 0 HA PHE A 75 -2.869 -11.384 -5.760 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -4.207 -9.347 -6.040 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.026 -8.949 -4.342 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -1.787 -8.272 -3.456 1.00 0.67 H new ATOM 0 HD2 PHE A 75 -2.469 -8.861 -7.620 1.00 0.76 H new ATOM 0 HE1 PHE A 75 0.220 -6.954 -3.973 1.00 0.82 H new ATOM 0 HE2 PHE A 75 -0.458 -7.548 -8.136 1.00 0.88 H new ATOM 0 HZ PHE A 75 1.012 -6.794 -6.295 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.705 -10.861 -2.517 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.834 -10.931 -1.348 1.00 0.36 C ATOM 1156 C LEU A 76 -1.043 -12.239 -1.316 1.00 0.40 C ATOM 1157 O LEU A 76 -0.006 -12.334 -0.659 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.677 -10.786 -0.078 1.00 0.43 C ATOM 1159 CG LEU A 76 -2.022 -10.014 1.074 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.860 -10.794 1.666 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.560 -8.643 0.610 1.00 0.80 C ATOM 0 H LEU A 76 -3.687 -10.693 -2.298 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.113 -10.115 -1.404 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.611 -10.288 -0.339 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.936 -11.783 0.279 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.772 -9.880 1.854 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.415 -10.222 2.480 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -1.220 -11.749 2.048 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -0.110 -10.971 0.895 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -1.099 -8.113 1.443 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.833 -8.757 -0.194 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.416 -8.074 0.248 1.00 0.80 H new ATOM 1173 N THR A 77 -1.528 -13.242 -2.033 1.00 0.41 N ATOM 1174 CA THR A 77 -0.862 -14.539 -2.079 1.00 0.49 C ATOM 1175 C THR A 77 0.234 -14.546 -3.139 1.00 0.47 C ATOM 1176 O THR A 77 1.207 -15.296 -3.040 1.00 0.53 O ATOM 1177 CB THR A 77 -1.864 -15.671 -2.375 1.00 0.63 C ATOM 1178 OG1 THR A 77 -2.957 -15.610 -1.452 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.192 -17.033 -2.279 1.00 0.71 C ATOM 0 H THR A 77 -2.380 -13.185 -2.591 1.00 0.41 H new ATOM 0 HA THR A 77 -0.417 -14.710 -1.099 1.00 0.49 H new ATOM 0 HB THR A 77 -2.235 -15.538 -3.391 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.591 -16.332 -1.647 1.00 0.73 H new ATOM 0 HG21 THR A 77 -1.921 -17.814 -2.492 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.378 -17.089 -3.002 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.794 -17.173 -1.274 1.00 0.71 H new ATOM 1187 N ALA A 78 0.068 -13.701 -4.149 1.00 0.45 N ATOM 1188 CA ALA A 78 1.037 -13.595 -5.233 1.00 0.52 C ATOM 1189 C ALA A 78 2.293 -12.859 -4.782 1.00 0.53 C ATOM 1190 O ALA A 78 3.411 -13.275 -5.088 1.00 0.67 O ATOM 1191 CB ALA A 78 0.408 -12.881 -6.419 1.00 0.60 C ATOM 0 H ALA A 78 -0.733 -13.076 -4.240 1.00 0.45 H new ATOM 0 HA ALA A 78 1.328 -14.602 -5.530 1.00 0.52 H new ATOM 0 HB1 ALA A 78 1.137 -12.805 -7.226 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -0.459 -13.444 -6.765 1.00 0.60 H new ATOM 0 HB3 ALA A 78 0.095 -11.882 -6.118 1.00 0.60 H new ATOM 1197 N GLN A 79 2.100 -11.764 -4.055 1.00 0.47 N ATOM 1198 CA GLN A 79 3.211 -10.958 -3.561 1.00 0.53 C ATOM 1199 C GLN A 79 4.115 -11.760 -2.634 1.00 0.54 C ATOM 1200 O GLN A 79 5.226 -11.333 -2.315 1.00 1.06 O ATOM 1201 CB GLN A 79 2.677 -9.739 -2.816 1.00 0.56 C ATOM 1202 CG GLN A 79 1.777 -10.100 -1.647 1.00 0.96 C ATOM 1203 CD GLN A 79 1.541 -8.935 -0.707 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.352 -9.122 0.494 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.562 -7.722 -1.245 1.00 0.61 N ATOM 0 H GLN A 79 1.179 -11.412 -3.793 1.00 0.47 H new ATOM 0 HA GLN A 79 3.799 -10.640 -4.422 1.00 0.53 H new ATOM 0 HB2 GLN A 79 3.517 -9.148 -2.451 1.00 0.56 H new ATOM 0 HB3 GLN A 79 2.123 -9.110 -3.512 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.819 -10.454 -2.028 1.00 0.96 H new ATOM 0 HG3 GLN A 79 2.224 -10.925 -1.091 1.00 0.96 H new ATOM 0 HE21 GLN A 79 1.722 -7.611 -2.246 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.418 -6.901 -0.657 1.00 0.61 H new ATOM 1214 N THR A 80 3.639 -12.920 -2.204 1.00 0.63 N ATOM 1215 CA THR A 80 4.405 -13.764 -1.298 1.00 0.65 C ATOM 1216 C THR A 80 4.931 -15.009 -2.005 1.00 0.64 C ATOM 1217 O THR A 80 5.890 -15.633 -1.549 1.00 0.73 O ATOM 1218 CB THR A 80 3.551 -14.192 -0.091 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.406 -14.930 -0.538 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.097 -12.979 0.705 1.00 0.44 C ATOM 0 H THR A 80 2.729 -13.297 -2.467 1.00 0.63 H new ATOM 0 HA THR A 80 5.252 -13.172 -0.951 1.00 0.65 H new ATOM 0 HB THR A 80 4.162 -14.824 0.554 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.380 -14.932 -1.518 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.495 -13.305 1.553 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.969 -12.434 1.067 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.501 -12.327 0.066 1.00 0.44 H new ATOM 1228 N LYS A 81 4.300 -15.362 -3.119 1.00 0.68 N ATOM 1229 CA LYS A 81 4.704 -16.535 -3.884 1.00 0.71 C ATOM 1230 C LYS A 81 5.492 -16.142 -5.130 1.00 0.69 C ATOM 1231 O LYS A 81 5.845 -16.995 -5.945 1.00 0.81 O ATOM 1232 CB LYS A 81 3.477 -17.358 -4.279 1.00 0.76 C ATOM 1233 CG LYS A 81 2.838 -18.091 -3.111 1.00 1.54 C ATOM 1234 CD LYS A 81 1.635 -18.908 -3.555 1.00 1.55 C ATOM 1235 CE LYS A 81 1.077 -19.743 -2.413 1.00 2.12 C ATOM 1236 NZ LYS A 81 2.056 -20.758 -1.934 1.00 3.02 N ATOM 0 H LYS A 81 3.508 -14.853 -3.512 1.00 0.68 H new ATOM 0 HA LYS A 81 5.353 -17.139 -3.250 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.737 -16.698 -4.732 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.765 -18.084 -5.039 1.00 0.76 H new ATOM 0 HG2 LYS A 81 3.573 -18.748 -2.646 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.530 -17.371 -2.353 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.860 -18.241 -3.932 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.922 -19.562 -4.379 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.800 -19.088 -1.587 1.00 2.12 H new ATOM 0 HE3 LYS A 81 0.167 -20.244 -2.742 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 1.563 -21.472 -1.360 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 2.504 -21.220 -2.751 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 2.785 -20.292 -1.357 1.00 3.02 H new ATOM 1250 N LYS A 82 5.771 -14.849 -5.272 1.00 0.66 N ATOM 1251 CA LYS A 82 6.522 -14.356 -6.422 1.00 0.74 C ATOM 1252 C LYS A 82 8.014 -14.302 -6.112 1.00 0.78 C ATOM 1253 O LYS A 82 8.438 -14.591 -4.994 1.00 0.83 O ATOM 1254 CB LYS A 82 6.036 -12.964 -6.836 1.00 0.72 C ATOM 1255 CG LYS A 82 6.313 -11.886 -5.807 1.00 0.67 C ATOM 1256 CD LYS A 82 6.295 -10.500 -6.435 1.00 0.77 C ATOM 1257 CE LYS A 82 4.883 -10.043 -6.749 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.868 -8.761 -7.505 1.00 1.09 N ATOM 0 H LYS A 82 5.490 -14.127 -4.608 1.00 0.66 H new ATOM 0 HA LYS A 82 6.355 -15.049 -7.246 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.514 -12.687 -7.776 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.963 -13.006 -7.025 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.567 -11.937 -5.014 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.283 -12.064 -5.343 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.766 -9.788 -5.757 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.887 -10.508 -7.350 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.373 -10.812 -7.329 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.326 -9.923 -5.820 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.885 -8.484 -7.699 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.331 -8.020 -6.941 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 5.378 -8.882 -8.404 1.00 1.09 H new ATOM 1272 N GLN A 83 8.806 -13.928 -7.113 1.00 0.87 N ATOM 1273 CA GLN A 83 10.247 -13.820 -6.946 1.00 0.96 C ATOM 1274 C GLN A 83 10.637 -12.382 -6.627 1.00 0.80 C ATOM 1275 O GLN A 83 10.176 -11.446 -7.283 1.00 0.80 O ATOM 1276 CB GLN A 83 10.973 -14.287 -8.208 1.00 1.22 C ATOM 1277 CG GLN A 83 10.563 -13.532 -9.461 1.00 1.37 C ATOM 1278 CD GLN A 83 11.341 -13.972 -10.687 1.00 1.96 C ATOM 1279 OE1 GLN A 83 10.922 -14.876 -11.411 1.00 2.49 O ATOM 1280 NE2 GLN A 83 12.482 -13.336 -10.922 1.00 2.57 N ATOM 0 H GLN A 83 8.471 -13.695 -8.048 1.00 0.87 H new ATOM 0 HA GLN A 83 10.542 -14.461 -6.115 1.00 0.96 H new ATOM 0 HB2 GLN A 83 12.047 -14.175 -8.062 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.781 -15.350 -8.355 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.498 -13.681 -9.638 1.00 1.37 H new ATOM 0 HG3 GLN A 83 10.714 -12.464 -9.303 1.00 1.37 H new ATOM 0 HE21 GLN A 83 12.790 -12.593 -10.295 1.00 2.57 H new ATOM 0 HE22 GLN A 83 13.051 -13.590 -11.730 1.00 2.57 H new ATOM 1289 N GLY A 84 11.481 -12.211 -5.618 1.00 0.98 N ATOM 1290 CA GLY A 84 11.906 -10.881 -5.232 1.00 1.14 C ATOM 1291 C GLY A 84 10.758 -10.053 -4.689 1.00 1.22 C ATOM 1292 O GLY A 84 10.883 -8.839 -4.524 1.00 2.05 O ATOM 0 H GLY A 84 11.878 -12.968 -5.061 1.00 0.98 H new ATOM 0 HA2 GLY A 84 12.688 -10.955 -4.477 1.00 1.14 H new ATOM 0 HA3 GLY A 84 12.342 -10.375 -6.094 1.00 1.14 H new ATOM 1296 N GLY A 85 9.636 -10.716 -4.418 1.00 0.69 N ATOM 1297 CA GLY A 85 8.471 -10.030 -3.888 1.00 0.69 C ATOM 1298 C GLY A 85 8.711 -9.478 -2.499 1.00 0.66 C ATOM 1299 O GLY A 85 9.593 -8.644 -2.299 1.00 0.91 O ATOM 0 H GLY A 85 9.514 -11.719 -4.557 1.00 0.69 H new ATOM 0 HA2 GLY A 85 8.196 -9.215 -4.558 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.627 -10.719 -3.862 1.00 0.69 H new ATOM 1303 N ILE A 86 7.925 -9.940 -1.533 1.00 0.49 N ATOM 1304 CA ILE A 86 8.069 -9.482 -0.157 1.00 0.48 C ATOM 1305 C ILE A 86 8.035 -10.654 0.821 1.00 0.50 C ATOM 1306 O ILE A 86 7.819 -11.798 0.422 1.00 0.53 O ATOM 1307 CB ILE A 86 6.973 -8.464 0.204 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.592 -9.111 0.078 1.00 0.43 C ATOM 1309 CG2 ILE A 86 7.084 -7.239 -0.697 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.447 -8.154 0.324 1.00 0.45 C ATOM 0 H ILE A 86 7.185 -10.628 -1.676 1.00 0.49 H new ATOM 0 HA ILE A 86 9.040 -8.992 -0.077 1.00 0.48 H new ATOM 0 HB ILE A 86 7.107 -8.144 1.237 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.490 -9.537 -0.920 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.522 -9.937 0.786 1.00 0.43 H new ATOM 0 HG21 ILE A 86 6.305 -6.523 -0.435 1.00 0.50 H new ATOM 0 HG22 ILE A 86 8.062 -6.776 -0.563 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.965 -7.541 -1.738 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.501 -8.684 0.217 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.523 -7.747 1.332 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.491 -7.340 -0.400 1.00 0.45 H new ATOM 1322 N THR A 87 8.247 -10.362 2.100 1.00 0.52 N ATOM 1323 CA THR A 87 8.260 -11.398 3.129 1.00 0.57 C ATOM 1324 C THR A 87 6.898 -11.551 3.800 1.00 0.51 C ATOM 1325 O THR A 87 5.953 -10.827 3.487 1.00 0.48 O ATOM 1326 CB THR A 87 9.325 -11.097 4.203 1.00 0.64 C ATOM 1327 OG1 THR A 87 9.420 -12.191 5.124 1.00 1.18 O ATOM 1328 CG2 THR A 87 8.989 -9.820 4.958 1.00 1.27 C ATOM 0 H THR A 87 8.412 -9.418 2.449 1.00 0.52 H new ATOM 0 HA THR A 87 8.505 -12.334 2.627 1.00 0.57 H new ATOM 0 HB THR A 87 10.283 -10.962 3.701 1.00 0.64 H new ATOM 0 HG1 THR A 87 10.100 -11.991 5.801 1.00 1.18 H new ATOM 0 HG21 THR A 87 9.755 -9.630 5.710 1.00 1.27 H new ATOM 0 HG22 THR A 87 8.950 -8.984 4.260 1.00 1.27 H new ATOM 0 HG23 THR A 87 8.021 -9.930 5.446 1.00 1.27 H new ATOM 1336 N SER A 88 6.809 -12.507 4.721 1.00 0.56 N ATOM 1337 CA SER A 88 5.572 -12.771 5.449 1.00 0.53 C ATOM 1338 C SER A 88 5.127 -11.544 6.235 1.00 0.48 C ATOM 1339 O SER A 88 3.975 -11.121 6.142 1.00 0.48 O ATOM 1340 CB SER A 88 5.763 -13.953 6.399 1.00 0.62 C ATOM 1341 OG SER A 88 6.847 -13.726 7.283 1.00 1.53 O ATOM 0 H SER A 88 7.585 -13.115 4.982 1.00 0.56 H new ATOM 0 HA SER A 88 4.797 -13.013 4.722 1.00 0.53 H new ATOM 0 HB2 SER A 88 4.850 -14.114 6.972 1.00 0.62 H new ATOM 0 HB3 SER A 88 5.943 -14.861 5.823 1.00 0.62 H new ATOM 0 HG SER A 88 6.948 -14.495 7.882 1.00 1.53 H new ATOM 1347 N ASP A 89 6.047 -10.984 7.018 1.00 0.51 N ATOM 1348 CA ASP A 89 5.755 -9.802 7.824 1.00 0.51 C ATOM 1349 C ASP A 89 5.087 -8.723 6.977 1.00 0.44 C ATOM 1350 O ASP A 89 4.242 -7.969 7.463 1.00 0.45 O ATOM 1351 CB ASP A 89 7.039 -9.254 8.449 1.00 0.59 C ATOM 1352 CG ASP A 89 7.722 -10.268 9.346 1.00 1.48 C ATOM 1353 OD1 ASP A 89 8.424 -11.154 8.815 1.00 2.34 O ATOM 1354 OD2 ASP A 89 7.554 -10.178 10.581 1.00 1.85 O ATOM 0 H ASP A 89 7.002 -11.331 7.111 1.00 0.51 H new ATOM 0 HA ASP A 89 5.070 -10.094 8.620 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.725 -8.952 7.658 1.00 0.59 H new ATOM 0 HB3 ASP A 89 6.806 -8.360 9.027 1.00 0.59 H new ATOM 1359 N GLN A 90 5.472 -8.659 5.708 1.00 0.44 N ATOM 1360 CA GLN A 90 4.908 -7.688 4.780 1.00 0.42 C ATOM 1361 C GLN A 90 3.466 -8.048 4.444 1.00 0.39 C ATOM 1362 O GLN A 90 2.587 -7.189 4.420 1.00 0.52 O ATOM 1363 CB GLN A 90 5.745 -7.641 3.497 1.00 0.49 C ATOM 1364 CG GLN A 90 7.085 -6.944 3.665 1.00 0.59 C ATOM 1365 CD GLN A 90 7.083 -5.523 3.134 1.00 0.75 C ATOM 1366 OE1 GLN A 90 7.763 -4.647 3.668 1.00 1.63 O ATOM 1367 NE2 GLN A 90 6.323 -5.290 2.069 1.00 0.91 N ATOM 0 H GLN A 90 6.176 -9.272 5.297 1.00 0.44 H new ATOM 0 HA GLN A 90 4.923 -6.706 5.253 1.00 0.42 H new ATOM 0 HB2 GLN A 90 5.917 -8.659 3.149 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.175 -7.130 2.721 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.352 -6.931 4.722 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.854 -7.518 3.149 1.00 0.59 H new ATOM 0 HE21 GLN A 90 5.775 -6.046 1.658 1.00 0.91 H new ATOM 0 HE22 GLN A 90 6.288 -4.355 1.662 1.00 0.91 H new ATOM 1376 N ALA A 91 3.234 -9.332 4.200 1.00 0.37 N ATOM 1377 CA ALA A 91 1.909 -9.828 3.853 1.00 0.37 C ATOM 1378 C ALA A 91 0.921 -9.674 5.006 1.00 0.34 C ATOM 1379 O ALA A 91 -0.286 -9.583 4.788 1.00 0.40 O ATOM 1380 CB ALA A 91 2.000 -11.285 3.435 1.00 0.45 C ATOM 0 H ALA A 91 3.954 -10.054 4.237 1.00 0.37 H new ATOM 0 HA ALA A 91 1.536 -9.229 3.022 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.007 -11.652 3.176 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.657 -11.375 2.570 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.402 -11.875 4.258 1.00 0.45 H new ATOM 1386 N ALA A 92 1.434 -9.645 6.229 1.00 0.31 N ATOM 1387 CA ALA A 92 0.585 -9.521 7.409 1.00 0.33 C ATOM 1388 C ALA A 92 -0.109 -8.163 7.479 1.00 0.28 C ATOM 1389 O ALA A 92 -1.292 -8.085 7.811 1.00 0.34 O ATOM 1390 CB ALA A 92 1.399 -9.755 8.670 1.00 0.40 C ATOM 0 H ALA A 92 2.432 -9.705 6.431 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.191 -10.282 7.330 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.753 -9.659 9.543 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.829 -10.756 8.645 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.199 -9.017 8.728 1.00 0.40 H new ATOM 1396 N VAL A 93 0.621 -7.099 7.164 1.00 0.26 N ATOM 1397 CA VAL A 93 0.060 -5.754 7.224 1.00 0.30 C ATOM 1398 C VAL A 93 -0.664 -5.370 5.933 1.00 0.28 C ATOM 1399 O VAL A 93 -1.624 -4.598 5.962 1.00 0.35 O ATOM 1400 CB VAL A 93 1.146 -4.705 7.560 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.413 -3.769 6.387 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.748 -3.921 8.801 1.00 0.55 C ATOM 0 H VAL A 93 1.596 -7.140 6.866 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.677 -5.763 8.027 1.00 0.30 H new ATOM 0 HB VAL A 93 2.076 -5.237 7.761 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.182 -3.048 6.665 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.752 -4.349 5.529 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.496 -3.240 6.128 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.519 -3.185 9.029 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.198 -3.411 8.621 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.638 -4.604 9.643 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.207 -5.902 4.802 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.826 -5.591 3.518 1.00 0.25 C ATOM 1414 C ILE A 94 -2.138 -6.350 3.340 1.00 0.25 C ATOM 1415 O ILE A 94 -3.071 -5.835 2.734 1.00 0.28 O ATOM 1416 CB ILE A 94 0.117 -5.898 2.337 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.461 -5.194 2.534 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.516 -5.458 1.024 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.534 -5.672 1.582 1.00 0.52 C ATOM 0 H ILE A 94 0.583 -6.545 4.749 1.00 0.24 H new ATOM 0 HA ILE A 94 -1.033 -4.521 3.521 1.00 0.25 H new ATOM 0 HB ILE A 94 0.286 -6.974 2.300 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.323 -4.121 2.405 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.798 -5.351 3.559 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.162 -5.682 0.200 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.455 -5.991 0.876 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.709 -4.386 1.054 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.460 -5.131 1.777 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.700 -6.740 1.727 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.217 -5.490 0.555 1.00 0.52 H new ATOM 1431 N SER A 95 -2.209 -7.571 3.868 1.00 0.27 N ATOM 1432 CA SER A 95 -3.429 -8.376 3.771 1.00 0.34 C ATOM 1433 C SER A 95 -4.593 -7.676 4.468 1.00 0.39 C ATOM 1434 O SER A 95 -5.756 -8.034 4.283 1.00 0.47 O ATOM 1435 CB SER A 95 -3.211 -9.759 4.391 1.00 0.40 C ATOM 1436 OG SER A 95 -4.374 -10.560 4.270 1.00 0.49 O ATOM 0 H SER A 95 -1.442 -8.024 4.365 1.00 0.27 H new ATOM 0 HA SER A 95 -3.671 -8.495 2.715 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.372 -10.253 3.900 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.947 -9.652 5.443 1.00 0.40 H new ATOM 0 HG SER A 95 -5.170 -9.993 4.336 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.257 -6.688 5.284 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.241 -5.915 6.032 1.00 0.46 C ATOM 1444 C LYS A 96 -5.807 -4.774 5.186 1.00 0.45 C ATOM 1445 O LYS A 96 -6.618 -3.977 5.661 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.591 -5.362 7.302 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.920 -6.435 8.142 1.00 0.57 C ATOM 1448 CD LYS A 96 -2.932 -5.842 9.133 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.639 -5.209 10.318 1.00 1.32 C ATOM 1450 NZ LYS A 96 -2.684 -4.520 11.230 1.00 2.12 N ATOM 0 H LYS A 96 -3.293 -6.398 5.447 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.069 -6.571 6.300 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.852 -4.609 7.027 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.350 -4.860 7.903 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.679 -7.002 8.681 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.402 -7.137 7.488 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.257 -6.622 9.486 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.319 -5.093 8.632 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.379 -4.494 9.960 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.180 -5.977 10.871 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.205 -4.101 12.026 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -1.993 -5.207 11.592 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.186 -3.770 10.709 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.357 -4.700 3.937 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.772 -3.645 3.008 1.00 0.40 C ATOM 1466 C PHE A 97 -7.278 -3.328 3.037 1.00 0.48 C ATOM 1467 O PHE A 97 -7.670 -2.233 2.632 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.323 -3.963 1.569 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.378 -5.419 1.163 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -6.232 -6.318 1.783 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.557 -5.883 0.145 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -6.265 -7.645 1.398 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.587 -7.209 -0.243 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.442 -8.091 0.384 1.00 0.53 C ATOM 0 H PHE A 97 -4.696 -5.366 3.538 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.267 -2.745 3.360 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.945 -3.391 0.881 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.300 -3.610 1.443 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.880 -5.977 2.577 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.885 -5.198 -0.351 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.935 -8.333 1.891 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.941 -7.554 -1.037 1.00 0.50 H new ATOM 0 HZ PHE A 97 -5.467 -9.128 0.082 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.128 -4.248 3.502 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.566 -3.960 3.546 1.00 0.63 C ATOM 1486 C TRP A 98 -10.247 -4.513 4.793 1.00 0.69 C ATOM 1487 O TRP A 98 -11.471 -4.453 4.909 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.290 -4.471 2.290 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.936 -5.868 1.866 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.324 -6.226 0.700 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.193 -7.094 2.574 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -9.170 -7.589 0.642 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.693 -8.144 1.779 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.786 -7.408 3.802 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.771 -9.479 2.169 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.863 -8.734 4.186 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.357 -9.754 3.373 1.00 1.00 C ATOM 0 H TRP A 98 -7.859 -5.171 3.844 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.642 -2.873 3.582 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.365 -4.424 2.466 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -10.073 -3.793 1.465 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -9.006 -5.536 -0.067 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.736 -8.104 -0.124 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.177 -6.628 4.439 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.382 -10.268 1.543 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.322 -8.987 5.130 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.431 -10.780 3.703 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.469 -5.045 5.727 1.00 0.75 N ATOM 1509 CA LYS A 99 -10.041 -5.589 6.954 1.00 0.91 C ATOM 1510 C LYS A 99 -10.650 -4.476 7.801 1.00 1.11 C ATOM 1511 O LYS A 99 -11.414 -4.735 8.728 1.00 1.33 O ATOM 1512 CB LYS A 99 -8.982 -6.355 7.753 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.807 -5.505 8.224 1.00 0.87 C ATOM 1514 CD LYS A 99 -8.112 -4.737 9.505 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.570 -5.658 10.624 1.00 1.51 C ATOM 1516 NZ LYS A 99 -8.836 -4.912 11.884 1.00 1.67 N ATOM 0 H LYS A 99 -8.453 -5.112 5.662 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.833 -6.286 6.681 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.458 -6.807 8.623 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -8.601 -7.170 7.138 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -6.942 -6.147 8.388 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.536 -4.800 7.438 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -7.222 -4.194 9.823 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -8.885 -3.994 9.307 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.474 -6.183 10.315 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.808 -6.416 10.805 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -9.146 -5.576 12.622 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -7.967 -4.432 12.193 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -9.581 -4.206 11.719 1.00 1.67 H new ATOM 1530 N SER A 100 -10.299 -3.237 7.477 1.00 1.14 N ATOM 1531 CA SER A 100 -10.813 -2.081 8.202 1.00 1.47 C ATOM 1532 C SER A 100 -12.141 -1.620 7.611 1.00 1.74 C ATOM 1533 O SER A 100 -12.884 -0.866 8.240 1.00 2.07 O ATOM 1534 CB SER A 100 -9.799 -0.936 8.169 1.00 1.57 C ATOM 1535 OG SER A 100 -10.292 0.202 8.854 1.00 2.19 O ATOM 0 H SER A 100 -9.660 -3.007 6.716 1.00 1.14 H new ATOM 0 HA SER A 100 -10.978 -2.376 9.238 1.00 1.47 H new ATOM 0 HB2 SER A 100 -8.864 -1.261 8.624 1.00 1.57 H new ATOM 0 HB3 SER A 100 -9.576 -0.673 7.135 1.00 1.57 H new ATOM 0 HG SER A 100 -9.625 0.919 8.820 1.00 2.19 H new ATOM 1541 N HIS A 101 -12.431 -2.079 6.397 1.00 1.68 N ATOM 1542 CA HIS A 101 -13.667 -1.709 5.715 1.00 2.03 C ATOM 1543 C HIS A 101 -14.467 -2.945 5.310 1.00 2.09 C ATOM 1544 O HIS A 101 -15.367 -2.863 4.473 1.00 2.46 O ATOM 1545 CB HIS A 101 -13.356 -0.862 4.480 1.00 2.13 C ATOM 1546 CG HIS A 101 -12.661 0.427 4.796 1.00 2.57 C ATOM 1547 ND1 HIS A 101 -13.336 1.595 5.082 1.00 3.26 N ATOM 1548 CD2 HIS A 101 -11.343 0.728 4.871 1.00 3.02 C ATOM 1549 CE1 HIS A 101 -12.463 2.559 5.318 1.00 3.83 C ATOM 1550 NE2 HIS A 101 -11.248 2.060 5.196 1.00 3.65 N ATOM 0 H HIS A 101 -11.828 -2.707 5.866 1.00 1.68 H new ATOM 0 HA HIS A 101 -14.271 -1.125 6.409 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -12.734 -1.443 3.799 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -14.286 -0.644 3.955 1.00 2.13 H new ATOM 0 HD2 HIS A 101 -10.520 0.048 4.706 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -12.704 3.582 5.568 1.00 3.83 H new ATOM 0 HE2 HIS A 101 -10.379 2.579 5.322 1.00 3.65 H new ATOM 1559 N LYS A 102 -14.139 -4.086 5.908 1.00 1.89 N ATOM 1560 CA LYS A 102 -14.834 -5.334 5.605 1.00 2.04 C ATOM 1561 C LYS A 102 -14.992 -6.183 6.864 1.00 2.27 C ATOM 1562 O LYS A 102 -14.930 -7.411 6.814 1.00 2.71 O ATOM 1563 CB LYS A 102 -14.075 -6.119 4.531 1.00 2.00 C ATOM 1564 CG LYS A 102 -14.973 -6.740 3.469 1.00 2.32 C ATOM 1565 CD LYS A 102 -15.897 -7.796 4.057 1.00 2.80 C ATOM 1566 CE LYS A 102 -16.797 -8.403 2.993 1.00 3.44 C ATOM 1567 NZ LYS A 102 -17.713 -9.432 3.560 1.00 4.27 N ATOM 0 H LYS A 102 -13.398 -4.173 6.604 1.00 1.89 H new ATOM 0 HA LYS A 102 -15.827 -5.089 5.227 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -13.361 -5.454 4.045 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -13.498 -6.909 5.012 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -15.568 -5.960 2.995 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -14.357 -7.189 2.690 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -15.303 -8.582 4.524 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -16.509 -7.350 4.841 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -17.384 -7.615 2.522 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -16.184 -8.854 2.213 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -18.310 -9.821 2.802 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -17.153 -10.197 3.988 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -18.317 -8.997 4.287 1.00 4.27 H new ATOM 1581 N THR A 103 -15.199 -5.516 7.995 1.00 2.56 N ATOM 1582 CA THR A 103 -15.379 -6.200 9.270 1.00 2.99 C ATOM 1583 C THR A 103 -16.480 -5.531 10.088 1.00 3.33 C ATOM 1584 O THR A 103 -17.453 -6.175 10.481 1.00 3.84 O ATOM 1585 CB THR A 103 -14.075 -6.228 10.089 1.00 3.28 C ATOM 1586 OG1 THR A 103 -13.571 -4.898 10.256 1.00 3.44 O ATOM 1587 CG2 THR A 103 -13.027 -7.093 9.405 1.00 3.09 C ATOM 0 H THR A 103 -15.246 -4.499 8.054 1.00 2.56 H new ATOM 0 HA THR A 103 -15.666 -7.227 9.047 1.00 2.99 H new ATOM 0 HB THR A 103 -14.295 -6.656 11.067 1.00 3.28 H new ATOM 0 HG1 THR A 103 -12.912 -4.707 9.556 1.00 3.44 H new ATOM 0 HG21 THR A 103 -12.114 -7.098 10.001 1.00 3.09 H new ATOM 0 HG22 THR A 103 -13.403 -8.112 9.308 1.00 3.09 H new ATOM 0 HG23 THR A 103 -12.812 -6.690 8.415 1.00 3.09 H new ATOM 1595 N LYS A 104 -16.319 -4.235 10.341 1.00 3.34 N ATOM 1596 CA LYS A 104 -17.307 -3.474 11.099 1.00 3.66 C ATOM 1597 C LYS A 104 -18.171 -2.641 10.158 1.00 3.59 C ATOM 1598 O LYS A 104 -18.775 -1.647 10.563 1.00 3.95 O ATOM 1599 CB LYS A 104 -16.621 -2.564 12.122 1.00 3.99 C ATOM 1600 CG LYS A 104 -16.151 -3.292 13.374 1.00 4.36 C ATOM 1601 CD LYS A 104 -14.931 -4.159 13.102 1.00 4.62 C ATOM 1602 CE LYS A 104 -13.696 -3.315 12.828 1.00 5.31 C ATOM 1603 NZ LYS A 104 -13.389 -2.393 13.956 1.00 5.72 N ATOM 0 H LYS A 104 -15.514 -3.690 10.032 1.00 3.34 H new ATOM 0 HA LYS A 104 -17.944 -4.180 11.633 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -15.765 -2.083 11.650 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -17.312 -1.772 12.411 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -15.913 -2.564 14.150 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -16.960 -3.914 13.758 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -14.747 -4.808 13.958 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -15.127 -4.807 12.247 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -12.842 -3.969 12.651 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -13.848 -2.736 11.917 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -12.400 -2.080 13.889 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -14.018 -1.566 13.909 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -13.535 -2.888 14.859 1.00 5.72 H new ATOM 1617 N ILE A 105 -18.223 -3.062 8.899 1.00 3.22 N ATOM 1618 CA ILE A 105 -19.005 -2.360 7.883 1.00 3.25 C ATOM 1619 C ILE A 105 -20.501 -2.529 8.119 1.00 3.33 C ATOM 1620 O ILE A 105 -21.194 -1.575 8.476 1.00 3.64 O ATOM 1621 CB ILE A 105 -18.664 -2.832 6.449 1.00 3.14 C ATOM 1622 CG1 ILE A 105 -17.606 -3.932 6.466 1.00 3.41 C ATOM 1623 CG2 ILE A 105 -18.199 -1.657 5.606 1.00 3.22 C ATOM 1624 CD1 ILE A 105 -18.169 -5.304 6.773 1.00 3.54 C ATOM 0 H ILE A 105 -17.732 -3.888 8.555 1.00 3.22 H new ATOM 0 HA ILE A 105 -18.739 -1.307 7.973 1.00 3.25 H new ATOM 0 HB ILE A 105 -19.568 -3.247 6.005 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -17.107 -3.961 5.497 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -16.847 -3.684 7.208 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -17.962 -2.002 4.600 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -18.990 -0.909 5.556 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -17.310 -1.215 6.056 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -17.363 -6.037 6.769 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -18.643 -5.291 7.754 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -18.907 -5.572 6.017 1.00 3.54 H new ATOM 1636 N ARG A 106 -20.998 -3.745 7.919 1.00 3.23 N ATOM 1637 CA ARG A 106 -22.413 -4.031 8.111 1.00 3.52 C ATOM 1638 C ARG A 106 -22.809 -3.839 9.571 1.00 3.99 C ATOM 1639 O ARG A 106 -23.988 -3.696 9.892 1.00 4.49 O ATOM 1640 CB ARG A 106 -22.733 -5.459 7.662 1.00 3.66 C ATOM 1641 CG ARG A 106 -24.221 -5.773 7.632 1.00 4.02 C ATOM 1642 CD ARG A 106 -24.482 -7.191 7.149 1.00 4.54 C ATOM 1643 NE ARG A 106 -25.910 -7.502 7.107 1.00 4.89 N ATOM 1644 CZ ARG A 106 -26.400 -8.738 7.146 1.00 5.64 C ATOM 1645 NH1 ARG A 106 -25.582 -9.779 7.238 1.00 6.13 N ATOM 1646 NH2 ARG A 106 -27.711 -8.936 7.097 1.00 6.18 N ATOM 0 H ARG A 106 -20.441 -4.547 7.624 1.00 3.23 H new ATOM 0 HA ARG A 106 -22.988 -3.333 7.502 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -22.317 -5.619 6.667 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -22.236 -6.161 8.332 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -24.641 -5.644 8.629 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -24.730 -5.065 6.978 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -24.054 -7.320 6.155 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -23.977 -7.897 7.808 1.00 4.54 H new ATOM 0 HE ARG A 106 -26.569 -6.726 7.044 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -24.573 -9.633 7.279 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -25.962 -10.725 7.268 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -28.345 -8.140 7.029 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -28.085 -9.884 7.127 1.00 6.18 H new ATOM 1660 N GLU A 107 -21.810 -3.842 10.452 1.00 4.18 N ATOM 1661 CA GLU A 107 -22.040 -3.664 11.883 1.00 5.05 C ATOM 1662 C GLU A 107 -22.933 -4.767 12.444 1.00 5.51 C ATOM 1663 O GLU A 107 -23.420 -4.668 13.570 1.00 5.80 O ATOM 1664 CB GLU A 107 -22.671 -2.297 12.152 1.00 5.50 C ATOM 1665 CG GLU A 107 -21.738 -1.129 11.878 1.00 6.10 C ATOM 1666 CD GLU A 107 -22.355 0.207 12.249 1.00 6.86 C ATOM 1667 OE1 GLU A 107 -22.223 0.617 13.421 1.00 7.22 O ATOM 1668 OE2 GLU A 107 -22.970 0.842 11.366 1.00 7.31 O ATOM 0 H GLU A 107 -20.830 -3.966 10.198 1.00 4.18 H new ATOM 0 HA GLU A 107 -21.074 -3.720 12.385 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -23.563 -2.191 11.535 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -22.996 -2.255 13.192 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -20.814 -1.267 12.439 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -21.471 -1.121 10.821 1.00 6.10 H new ATOM 1675 N SER A 108 -23.139 -5.818 11.653 1.00 5.97 N ATOM 1676 CA SER A 108 -23.975 -6.941 12.067 1.00 6.78 C ATOM 1677 C SER A 108 -25.369 -6.467 12.469 1.00 7.58 C ATOM 1678 O SER A 108 -26.226 -6.326 11.573 1.00 8.07 O ATOM 1679 CB SER A 108 -23.321 -7.692 13.229 1.00 7.25 C ATOM 1680 OG SER A 108 -24.120 -8.786 13.645 1.00 7.76 O ATOM 0 H SER A 108 -22.737 -5.915 10.720 1.00 5.97 H new ATOM 0 HA SER A 108 -24.075 -7.617 11.218 1.00 6.78 H new ATOM 0 HB2 SER A 108 -22.337 -8.051 12.926 1.00 7.25 H new ATOM 0 HB3 SER A 108 -23.168 -7.011 14.066 1.00 7.25 H new ATOM 0 HG SER A 108 -23.679 -9.250 14.387 1.00 7.76 H new TER 1686 SER A 108