USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=27 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 Single : A 1 MET CE :methyl -160:sc= -0.137 (180deg=-0.737) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.0305 (180deg=-0.28) USER MOD Single : A 13 SER OG : rot -55:sc= 1.12 USER MOD Single : A 17 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.47) USER MOD Single : A 21 GLN : amide:sc= -4.12 K(o=-4.1,f=-5.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.258 X(o=-0.26,f=0.0012) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.307 K(o=-0.31,f=-0.85) USER MOD Single : A 40 TYR OH : rot -120:sc= -0.293 USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 0.212 (180deg=0.0488) USER MOD Single : A 55 MET CE :methyl -169:sc= -1.01 (180deg=-1.89) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc=-0.00363 (180deg=-0.0849) USER MOD Single : A 61 SER OG : rot 180:sc= -0.532 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -152:sc= -0.0387 (180deg=-1.82) USER MOD Single : A 70 ASN : amide:sc= -1.56 K(o=-1.6,f=-7.8!) USER MOD Single : A 71 GLN : amide:sc= -0.0739 K(o=-0.074,f=-0.7) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -6.69! C(o=-6.7!,f=-9!) USER MOD Single : A 80 THR OG1 : rot -31:sc= 1.17 USER MOD Single : A 81 LYS NZ :NH3+ 163:sc= -5.01! (180deg=-5.97!) USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.105) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -3.16 K(o=-3.2,f=-0.85) USER MOD Single : A 95 SER OG : rot 180:sc= 0 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 -79:sc= 0.119 USER MOD Single : A 101 HIS : no HE2:sc= -0.279 K(o=-0.28,f=-1.7!) USER MOD Single : A 102 LYS NZ :NH3+ -117:sc= -0.906 (180deg=-2.35!) USER MOD Single : A 103 THR OG1 : rot 46:sc= 0.668 USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= -0.0301 (180deg=-0.22) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.502 -6.296 5.996 1.00 7.33 N ATOM 2 CA MET A 1 18.682 -6.410 5.102 1.00 7.27 C ATOM 3 C MET A 1 18.286 -6.175 3.649 1.00 6.81 C ATOM 4 O MET A 1 17.274 -6.698 3.180 1.00 7.12 O ATOM 5 CB MET A 1 19.325 -7.791 5.249 1.00 7.99 C ATOM 6 CG MET A 1 20.604 -7.956 4.443 1.00 8.65 C ATOM 7 SD MET A 1 21.377 -9.567 4.685 1.00 9.34 S ATOM 8 CE MET A 1 21.782 -9.492 6.429 1.00 9.99 C ATOM 0 H1 MET A 1 17.795 -6.460 6.980 1.00 7.33 H new ATOM 0 H2 MET A 1 17.092 -5.344 5.911 1.00 7.33 H new ATOM 0 H3 MET A 1 16.791 -7.004 5.724 1.00 7.33 H new ATOM 0 HA MET A 1 19.404 -5.646 5.392 1.00 7.27 H new ATOM 0 HB2 MET A 1 19.543 -7.971 6.302 1.00 7.99 H new ATOM 0 HB3 MET A 1 18.609 -8.551 4.938 1.00 7.99 H new ATOM 0 HG2 MET A 1 20.382 -7.820 3.385 1.00 8.65 H new ATOM 0 HG3 MET A 1 21.309 -7.174 4.724 1.00 8.65 H new ATOM 0 HE1 MET A 1 22.557 -10.225 6.654 1.00 9.99 H new ATOM 0 HE2 MET A 1 22.144 -8.494 6.676 1.00 9.99 H new ATOM 0 HE3 MET A 1 20.892 -9.712 7.019 1.00 9.99 H new ATOM 20 N ALA A 2 19.093 -5.383 2.945 1.00 6.40 N ATOM 21 CA ALA A 2 18.841 -5.069 1.540 1.00 6.31 C ATOM 22 C ALA A 2 17.538 -4.293 1.371 1.00 5.60 C ATOM 23 O ALA A 2 16.736 -4.193 2.299 1.00 5.72 O ATOM 24 CB ALA A 2 18.816 -6.342 0.705 1.00 6.96 C ATOM 0 H ALA A 2 19.931 -4.945 3.327 1.00 6.40 H new ATOM 0 HA ALA A 2 19.655 -4.436 1.187 1.00 6.31 H new ATOM 0 HB1 ALA A 2 18.627 -6.089 -0.338 1.00 6.96 H new ATOM 0 HB2 ALA A 2 19.777 -6.850 0.787 1.00 6.96 H new ATOM 0 HB3 ALA A 2 18.026 -7.000 1.068 1.00 6.96 H new ATOM 30 N ALA A 3 17.336 -3.745 0.177 1.00 5.19 N ATOM 31 CA ALA A 3 16.132 -2.975 -0.118 1.00 4.77 C ATOM 32 C ALA A 3 14.899 -3.872 -0.140 1.00 4.00 C ATOM 33 O ALA A 3 14.757 -4.727 -1.014 1.00 4.10 O ATOM 34 CB ALA A 3 16.285 -2.252 -1.447 1.00 5.44 C ATOM 0 H ALA A 3 17.990 -3.820 -0.602 1.00 5.19 H new ATOM 0 HA ALA A 3 15.997 -2.237 0.673 1.00 4.77 H new ATOM 0 HB1 ALA A 3 15.381 -1.681 -1.657 1.00 5.44 H new ATOM 0 HB2 ALA A 3 17.138 -1.575 -1.397 1.00 5.44 H new ATOM 0 HB3 ALA A 3 16.446 -2.981 -2.241 1.00 5.44 H new ATOM 40 N GLY A 4 14.009 -3.670 0.828 1.00 3.77 N ATOM 41 CA GLY A 4 12.798 -4.466 0.899 1.00 3.60 C ATOM 42 C GLY A 4 11.928 -4.101 2.086 1.00 3.08 C ATOM 43 O GLY A 4 10.871 -4.696 2.294 1.00 3.63 O ATOM 0 H GLY A 4 14.106 -2.970 1.563 1.00 3.77 H new ATOM 0 HA2 GLY A 4 12.227 -4.334 -0.020 1.00 3.60 H new ATOM 0 HA3 GLY A 4 13.064 -5.521 0.960 1.00 3.60 H new ATOM 47 N GLU A 5 12.372 -3.121 2.867 1.00 2.62 N ATOM 48 CA GLU A 5 11.624 -2.679 4.038 1.00 2.68 C ATOM 49 C GLU A 5 12.016 -1.257 4.428 1.00 2.07 C ATOM 50 O GLU A 5 13.192 -0.969 4.654 1.00 2.47 O ATOM 51 CB GLU A 5 11.864 -3.632 5.212 1.00 3.54 C ATOM 52 CG GLU A 5 11.070 -3.277 6.460 1.00 4.10 C ATOM 53 CD GLU A 5 11.269 -4.276 7.584 1.00 4.75 C ATOM 54 OE1 GLU A 5 12.220 -4.100 8.374 1.00 5.19 O ATOM 55 OE2 GLU A 5 10.473 -5.235 7.672 1.00 5.15 O ATOM 0 H GLU A 5 13.246 -2.618 2.710 1.00 2.62 H new ATOM 0 HA GLU A 5 10.563 -2.686 3.787 1.00 2.68 H new ATOM 0 HB2 GLU A 5 11.606 -4.645 4.904 1.00 3.54 H new ATOM 0 HB3 GLU A 5 12.926 -3.633 5.456 1.00 3.54 H new ATOM 0 HG2 GLU A 5 11.365 -2.286 6.804 1.00 4.10 H new ATOM 0 HG3 GLU A 5 10.011 -3.225 6.209 1.00 4.10 H new ATOM 62 N LEU A 6 11.027 -0.371 4.501 1.00 1.67 N ATOM 63 CA LEU A 6 11.273 1.019 4.869 1.00 1.32 C ATOM 64 C LEU A 6 11.555 1.136 6.364 1.00 1.32 C ATOM 65 O LEU A 6 12.698 1.335 6.775 1.00 2.13 O ATOM 66 CB LEU A 6 10.076 1.904 4.493 1.00 1.13 C ATOM 67 CG LEU A 6 9.875 2.164 2.992 1.00 1.02 C ATOM 68 CD1 LEU A 6 11.145 2.716 2.361 1.00 1.73 C ATOM 69 CD2 LEU A 6 9.425 0.898 2.276 1.00 1.32 C ATOM 0 H LEU A 6 10.049 -0.591 4.310 1.00 1.67 H new ATOM 0 HA LEU A 6 12.147 1.362 4.316 1.00 1.32 H new ATOM 0 HB2 LEU A 6 9.170 1.442 4.886 1.00 1.13 H new ATOM 0 HB3 LEU A 6 10.188 2.865 4.996 1.00 1.13 H new ATOM 0 HG LEU A 6 9.090 2.912 2.884 1.00 1.02 H new ATOM 0 HD11 LEU A 6 10.977 2.892 1.298 1.00 1.73 H new ATOM 0 HD12 LEU A 6 11.414 3.655 2.846 1.00 1.73 H new ATOM 0 HD13 LEU A 6 11.955 1.998 2.486 1.00 1.73 H new ATOM 0 HD21 LEU A 6 9.290 1.109 1.215 1.00 1.32 H new ATOM 0 HD22 LEU A 6 10.181 0.122 2.399 1.00 1.32 H new ATOM 0 HD23 LEU A 6 8.482 0.555 2.701 1.00 1.32 H new ATOM 81 N GLU A 7 10.506 1.009 7.171 1.00 1.23 N ATOM 82 CA GLU A 7 10.639 1.095 8.622 1.00 1.34 C ATOM 83 C GLU A 7 10.016 -0.125 9.291 1.00 1.46 C ATOM 84 O GLU A 7 10.346 -0.459 10.430 1.00 2.09 O ATOM 85 CB GLU A 7 9.973 2.369 9.146 1.00 1.49 C ATOM 86 CG GLU A 7 10.419 3.629 8.426 1.00 1.34 C ATOM 87 CD GLU A 7 9.782 4.882 8.997 1.00 1.95 C ATOM 88 OE1 GLU A 7 8.605 5.149 8.674 1.00 2.64 O ATOM 89 OE2 GLU A 7 10.461 5.595 9.764 1.00 2.22 O ATOM 0 H GLU A 7 9.553 0.846 6.845 1.00 1.23 H new ATOM 0 HA GLU A 7 11.701 1.125 8.864 1.00 1.34 H new ATOM 0 HB2 GLU A 7 8.892 2.269 9.050 1.00 1.49 H new ATOM 0 HB3 GLU A 7 10.191 2.472 10.209 1.00 1.49 H new ATOM 0 HG2 GLU A 7 11.504 3.715 8.490 1.00 1.34 H new ATOM 0 HG3 GLU A 7 10.168 3.547 7.369 1.00 1.34 H new ATOM 96 N GLY A 8 9.112 -0.784 8.574 1.00 1.36 N ATOM 97 CA GLY A 8 8.450 -1.961 9.107 1.00 1.61 C ATOM 98 C GLY A 8 6.996 -2.042 8.686 1.00 1.17 C ATOM 99 O GLY A 8 6.665 -1.811 7.523 1.00 1.38 O ATOM 0 H GLY A 8 8.825 -0.523 7.631 1.00 1.36 H new ATOM 0 HA2 GLY A 8 8.974 -2.855 8.769 1.00 1.61 H new ATOM 0 HA3 GLY A 8 8.511 -1.948 10.195 1.00 1.61 H new ATOM 103 N GLY A 9 6.128 -2.376 9.633 1.00 1.01 N ATOM 104 CA GLY A 9 4.712 -2.480 9.339 1.00 1.09 C ATOM 105 C GLY A 9 4.001 -1.142 9.416 1.00 1.08 C ATOM 106 O GLY A 9 2.927 -0.973 8.839 1.00 1.26 O ATOM 0 H GLY A 9 6.380 -2.577 10.601 1.00 1.01 H new ATOM 0 HA2 GLY A 9 4.582 -2.900 8.342 1.00 1.09 H new ATOM 0 HA3 GLY A 9 4.249 -3.174 10.040 1.00 1.09 H new ATOM 110 N LYS A 10 4.601 -0.190 10.126 1.00 1.12 N ATOM 111 CA LYS A 10 4.009 1.138 10.283 1.00 1.33 C ATOM 112 C LYS A 10 3.869 1.870 8.942 1.00 1.14 C ATOM 113 O LYS A 10 2.789 2.363 8.621 1.00 1.22 O ATOM 114 CB LYS A 10 4.835 1.982 11.261 1.00 1.68 C ATOM 115 CG LYS A 10 4.395 3.438 11.332 1.00 2.23 C ATOM 116 CD LYS A 10 5.229 4.226 12.328 1.00 3.07 C ATOM 117 CE LYS A 10 4.770 5.673 12.416 1.00 3.89 C ATOM 118 NZ LYS A 10 4.843 6.361 11.097 1.00 4.57 N ATOM 0 H LYS A 10 5.495 -0.312 10.601 1.00 1.12 H new ATOM 0 HA LYS A 10 3.007 0.997 10.687 1.00 1.33 H new ATOM 0 HB2 LYS A 10 4.766 1.542 12.256 1.00 1.68 H new ATOM 0 HB3 LYS A 10 5.884 1.942 10.966 1.00 1.68 H new ATOM 0 HG2 LYS A 10 4.480 3.893 10.345 1.00 2.23 H new ATOM 0 HG3 LYS A 10 3.344 3.488 11.617 1.00 2.23 H new ATOM 0 HD2 LYS A 10 5.160 3.761 13.311 1.00 3.07 H new ATOM 0 HD3 LYS A 10 6.278 4.193 12.033 1.00 3.07 H new ATOM 0 HE2 LYS A 10 3.746 5.707 12.787 1.00 3.89 H new ATOM 0 HE3 LYS A 10 5.388 6.206 13.138 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 4.737 7.386 11.234 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 5.763 6.164 10.653 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 4.080 6.013 10.481 1.00 4.57 H new ATOM 132 N PRO A 11 4.952 1.963 8.139 1.00 1.03 N ATOM 133 CA PRO A 11 4.902 2.654 6.848 1.00 1.05 C ATOM 134 C PRO A 11 4.214 1.830 5.767 1.00 0.77 C ATOM 135 O PRO A 11 3.461 2.363 4.954 1.00 0.72 O ATOM 136 CB PRO A 11 6.376 2.855 6.507 1.00 1.20 C ATOM 137 CG PRO A 11 7.067 1.707 7.154 1.00 1.49 C ATOM 138 CD PRO A 11 6.295 1.410 8.413 1.00 1.15 C ATOM 0 HA PRO A 11 4.327 3.578 6.902 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.537 2.859 5.429 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.746 3.807 6.888 1.00 1.20 H new ATOM 0 HG2 PRO A 11 7.084 0.840 6.494 1.00 1.49 H new ATOM 0 HG3 PRO A 11 8.104 1.954 7.382 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.254 0.340 8.614 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.752 1.881 9.283 1.00 1.15 H new ATOM 146 N LEU A 12 4.474 0.528 5.768 1.00 0.70 N ATOM 147 CA LEU A 12 3.888 -0.369 4.780 1.00 0.57 C ATOM 148 C LEU A 12 2.371 -0.451 4.934 1.00 0.48 C ATOM 149 O LEU A 12 1.656 -0.706 3.964 1.00 0.53 O ATOM 150 CB LEU A 12 4.492 -1.766 4.908 1.00 0.61 C ATOM 151 CG LEU A 12 4.155 -2.719 3.761 1.00 0.58 C ATOM 152 CD1 LEU A 12 4.930 -2.343 2.509 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.449 -4.155 4.160 1.00 0.91 C ATOM 0 H LEU A 12 5.087 0.070 6.442 1.00 0.70 H new ATOM 0 HA LEU A 12 4.112 0.035 3.793 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.576 -1.673 4.977 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.150 -2.210 5.843 1.00 0.61 H new ATOM 0 HG LEU A 12 3.090 -2.633 3.543 1.00 0.58 H new ATOM 0 HD11 LEU A 12 4.677 -3.033 1.704 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.670 -1.327 2.212 1.00 1.01 H new ATOM 0 HD13 LEU A 12 5.999 -2.399 2.712 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.203 -4.820 3.332 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.506 -4.255 4.405 1.00 0.91 H new ATOM 0 HD23 LEU A 12 3.848 -4.421 5.030 1.00 0.91 H new ATOM 165 N SER A 13 1.884 -0.237 6.151 1.00 0.52 N ATOM 166 CA SER A 13 0.450 -0.296 6.416 1.00 0.61 C ATOM 167 C SER A 13 -0.269 0.873 5.757 1.00 0.58 C ATOM 168 O SER A 13 -1.339 0.705 5.172 1.00 0.69 O ATOM 169 CB SER A 13 0.180 -0.288 7.920 1.00 0.78 C ATOM 170 OG SER A 13 0.584 0.936 8.508 1.00 1.39 O ATOM 0 H SER A 13 2.457 -0.022 6.967 1.00 0.52 H new ATOM 0 HA SER A 13 0.069 -1.226 5.993 1.00 0.61 H new ATOM 0 HB2 SER A 13 -0.883 -0.448 8.102 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.712 -1.114 8.392 1.00 0.78 H new ATOM 0 HG SER A 13 1.526 1.105 8.298 1.00 1.39 H new ATOM 176 N GLY A 14 0.327 2.056 5.857 1.00 0.56 N ATOM 177 CA GLY A 14 -0.269 3.237 5.267 1.00 0.59 C ATOM 178 C GLY A 14 0.476 3.710 4.037 1.00 0.55 C ATOM 179 O GLY A 14 0.414 4.886 3.680 1.00 0.58 O ATOM 0 H GLY A 14 1.213 2.217 6.337 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.304 3.023 5.001 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.289 4.038 6.006 1.00 0.59 H new ATOM 183 N LEU A 15 1.186 2.794 3.388 1.00 0.52 N ATOM 184 CA LEU A 15 1.936 3.125 2.183 1.00 0.52 C ATOM 185 C LEU A 15 0.996 3.225 0.998 1.00 0.46 C ATOM 186 O LEU A 15 1.034 4.189 0.237 1.00 0.47 O ATOM 187 CB LEU A 15 2.992 2.067 1.904 1.00 0.57 C ATOM 188 CG LEU A 15 4.363 2.628 1.547 1.00 0.69 C ATOM 189 CD1 LEU A 15 5.423 2.088 2.488 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.718 2.328 0.101 1.00 1.10 C ATOM 0 H LEU A 15 1.258 1.818 3.676 1.00 0.52 H new ATOM 0 HA LEU A 15 2.429 4.085 2.338 1.00 0.52 H new ATOM 0 HB2 LEU A 15 3.091 1.429 2.782 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.648 1.433 1.087 1.00 0.57 H new ATOM 0 HG LEU A 15 4.324 3.711 1.661 1.00 0.69 H new ATOM 0 HD11 LEU A 15 6.395 2.500 2.216 1.00 0.97 H new ATOM 0 HD12 LEU A 15 5.181 2.374 3.512 1.00 0.97 H new ATOM 0 HD13 LEU A 15 5.456 1.001 2.413 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.701 2.740 -0.125 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.732 1.249 -0.054 1.00 1.10 H new ATOM 0 HD23 LEU A 15 3.975 2.779 -0.557 1.00 1.10 H new ATOM 202 N LEU A 16 0.147 2.215 0.860 1.00 0.45 N ATOM 203 CA LEU A 16 -0.826 2.172 -0.222 1.00 0.42 C ATOM 204 C LEU A 16 -1.678 3.434 -0.167 1.00 0.40 C ATOM 205 O LEU A 16 -2.317 3.823 -1.145 1.00 0.41 O ATOM 206 CB LEU A 16 -1.700 0.915 -0.104 1.00 0.47 C ATOM 207 CG LEU A 16 -0.943 -0.366 0.230 1.00 0.53 C ATOM 208 CD1 LEU A 16 -1.807 -1.295 1.069 1.00 0.86 C ATOM 209 CD2 LEU A 16 -0.480 -1.056 -1.043 1.00 0.92 C ATOM 0 H LEU A 16 0.113 1.411 1.487 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.311 2.128 -1.181 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.453 1.085 0.665 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.232 0.771 -1.045 1.00 0.47 H new ATOM 0 HG LEU A 16 -0.061 -0.105 0.816 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -1.249 -2.203 1.297 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -2.083 -0.796 1.998 1.00 0.86 H new ATOM 0 HD13 LEU A 16 -2.709 -1.553 0.514 1.00 0.86 H new ATOM 0 HD21 LEU A 16 0.059 -1.968 -0.787 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -1.345 -1.305 -1.657 1.00 0.92 H new ATOM 0 HD23 LEU A 16 0.179 -0.389 -1.599 1.00 0.92 H new ATOM 221 N ASN A 17 -1.670 4.059 1.007 1.00 0.40 N ATOM 222 CA ASN A 17 -2.403 5.292 1.250 1.00 0.42 C ATOM 223 C ASN A 17 -1.645 6.491 0.680 1.00 0.38 C ATOM 224 O ASN A 17 -2.161 7.218 -0.168 1.00 0.42 O ATOM 225 CB ASN A 17 -2.609 5.470 2.753 1.00 0.47 C ATOM 226 CG ASN A 17 -3.638 4.511 3.321 1.00 1.38 C ATOM 227 OD1 ASN A 17 -3.545 4.095 4.476 1.00 1.93 O ATOM 228 ND2 ASN A 17 -4.631 4.155 2.513 1.00 2.33 N ATOM 0 H ASN A 17 -1.152 3.721 1.818 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.371 5.232 0.753 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.659 5.322 3.266 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.923 6.494 2.954 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -5.353 3.514 2.843 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -4.672 4.522 1.562 1.00 2.33 H new ATOM 235 N ALA A 18 -0.417 6.690 1.160 1.00 0.37 N ATOM 236 CA ALA A 18 0.429 7.789 0.698 1.00 0.37 C ATOM 237 C ALA A 18 0.571 7.761 -0.820 1.00 0.38 C ATOM 238 O ALA A 18 0.644 8.803 -1.472 1.00 0.44 O ATOM 239 CB ALA A 18 1.801 7.695 1.344 1.00 0.42 C ATOM 0 H ALA A 18 0.015 6.101 1.872 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.042 8.729 0.985 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.425 8.518 0.994 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.698 7.753 2.428 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.266 6.747 1.074 1.00 0.42 H new ATOM 245 N LEU A 19 0.592 6.552 -1.370 1.00 0.42 N ATOM 246 CA LEU A 19 0.743 6.346 -2.807 1.00 0.48 C ATOM 247 C LEU A 19 -0.486 6.811 -3.590 1.00 0.52 C ATOM 248 O LEU A 19 -0.604 6.537 -4.784 1.00 0.69 O ATOM 249 CB LEU A 19 1.003 4.867 -3.087 1.00 0.51 C ATOM 250 CG LEU A 19 2.278 4.303 -2.461 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.234 2.783 -2.442 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.505 4.795 -3.215 1.00 0.94 C ATOM 0 H LEU A 19 0.505 5.688 -0.834 1.00 0.42 H new ATOM 0 HA LEU A 19 1.589 6.947 -3.139 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.153 4.290 -2.724 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.051 4.720 -4.166 1.00 0.51 H new ATOM 0 HG LEU A 19 2.344 4.657 -1.432 1.00 0.61 H new ATOM 0 HD11 LEU A 19 3.150 2.398 -1.993 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.376 2.451 -1.858 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.145 2.409 -3.462 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.404 4.384 -2.755 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.448 4.471 -4.254 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.544 5.884 -3.176 1.00 0.94 H new ATOM 264 N ALA A 20 -1.398 7.512 -2.923 1.00 0.54 N ATOM 265 CA ALA A 20 -2.603 8.008 -3.577 1.00 0.64 C ATOM 266 C ALA A 20 -2.317 9.295 -4.347 1.00 0.78 C ATOM 267 O ALA A 20 -3.226 10.072 -4.639 1.00 1.59 O ATOM 268 CB ALA A 20 -3.704 8.238 -2.552 1.00 0.76 C ATOM 0 H ALA A 20 -1.326 7.748 -1.933 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.938 7.254 -4.289 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.598 8.608 -3.055 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.934 7.299 -2.048 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.370 8.972 -1.818 1.00 0.76 H new ATOM 274 N GLN A 21 -1.047 9.505 -4.681 1.00 0.71 N ATOM 275 CA GLN A 21 -0.631 10.701 -5.411 1.00 0.81 C ATOM 276 C GLN A 21 -0.548 10.444 -6.913 1.00 1.05 C ATOM 277 O GLN A 21 -0.359 11.374 -7.698 1.00 1.54 O ATOM 278 CB GLN A 21 0.726 11.189 -4.892 1.00 1.12 C ATOM 279 CG GLN A 21 1.845 10.170 -5.043 1.00 1.08 C ATOM 280 CD GLN A 21 2.744 10.454 -6.231 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.315 11.040 -7.225 1.00 1.87 O ATOM 282 NE2 GLN A 21 3.999 10.031 -6.133 1.00 1.21 N ATOM 0 H GLN A 21 -0.287 8.863 -4.458 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.385 11.470 -5.243 1.00 0.81 H new ATOM 0 HB2 GLN A 21 1.002 12.099 -5.425 1.00 1.12 H new ATOM 0 HB3 GLN A 21 0.628 11.453 -3.839 1.00 1.12 H new ATOM 0 HG2 GLN A 21 2.446 10.160 -4.133 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.412 9.175 -5.151 1.00 1.08 H new ATOM 0 HE21 GLN A 21 4.311 9.550 -5.289 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.651 10.188 -6.901 1.00 1.21 H new ATOM 291 N ASP A 22 -0.691 9.184 -7.313 1.00 1.63 N ATOM 292 CA ASP A 22 -0.623 8.826 -8.728 1.00 2.08 C ATOM 293 C ASP A 22 -2.016 8.678 -9.334 1.00 1.93 C ATOM 294 O ASP A 22 -2.155 8.411 -10.527 1.00 2.22 O ATOM 295 CB ASP A 22 0.172 7.531 -8.917 1.00 2.77 C ATOM 296 CG ASP A 22 -0.388 6.378 -8.108 1.00 3.37 C ATOM 297 OD1 ASP A 22 -1.500 5.910 -8.430 1.00 4.03 O ATOM 298 OD2 ASP A 22 0.290 5.937 -7.157 1.00 3.59 O ATOM 0 H ASP A 22 -0.854 8.398 -6.683 1.00 1.63 H new ATOM 0 HA ASP A 22 -0.112 9.636 -9.248 1.00 2.08 H new ATOM 0 HB2 ASP A 22 0.174 7.261 -9.973 1.00 2.77 H new ATOM 0 HB3 ASP A 22 1.210 7.701 -8.630 1.00 2.77 H new ATOM 303 N THR A 23 -3.046 8.855 -8.510 1.00 1.87 N ATOM 304 CA THR A 23 -4.424 8.745 -8.980 1.00 2.12 C ATOM 305 C THR A 23 -4.933 10.082 -9.512 1.00 2.28 C ATOM 306 O THR A 23 -5.783 10.120 -10.401 1.00 2.68 O ATOM 307 CB THR A 23 -5.371 8.249 -7.871 1.00 2.43 C ATOM 308 OG1 THR A 23 -6.715 8.196 -8.361 1.00 3.06 O ATOM 309 CG2 THR A 23 -5.305 9.160 -6.659 1.00 2.29 C ATOM 0 H THR A 23 -2.953 9.074 -7.518 1.00 1.87 H new ATOM 0 HA THR A 23 -4.419 8.012 -9.787 1.00 2.12 H new ATOM 0 HB THR A 23 -5.054 7.249 -7.573 1.00 2.43 H new ATOM 0 HG1 THR A 23 -7.310 7.878 -7.650 1.00 3.06 H new ATOM 0 HG21 THR A 23 -5.982 8.790 -5.889 1.00 2.29 H new ATOM 0 HG22 THR A 23 -4.287 9.175 -6.270 1.00 2.29 H new ATOM 0 HG23 THR A 23 -5.599 10.170 -6.946 1.00 2.29 H new ATOM 317 N PHE A 24 -4.404 11.172 -8.958 1.00 2.25 N ATOM 318 CA PHE A 24 -4.792 12.523 -9.369 1.00 2.54 C ATOM 319 C PHE A 24 -6.262 12.805 -9.062 1.00 2.79 C ATOM 320 O PHE A 24 -6.579 13.475 -8.078 1.00 3.49 O ATOM 321 CB PHE A 24 -4.514 12.737 -10.861 1.00 2.58 C ATOM 322 CG PHE A 24 -3.063 12.611 -11.226 1.00 2.99 C ATOM 323 CD1 PHE A 24 -2.516 11.376 -11.536 1.00 3.42 C ATOM 324 CD2 PHE A 24 -2.244 13.729 -11.259 1.00 3.46 C ATOM 325 CE1 PHE A 24 -1.180 11.258 -11.872 1.00 4.26 C ATOM 326 CE2 PHE A 24 -0.907 13.617 -11.594 1.00 4.14 C ATOM 327 CZ PHE A 24 -0.375 12.378 -11.900 1.00 4.53 C ATOM 0 H PHE A 24 -3.701 11.146 -8.219 1.00 2.25 H new ATOM 0 HA PHE A 24 -4.188 13.224 -8.793 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -5.089 12.012 -11.437 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -4.868 13.727 -11.150 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -3.141 10.495 -11.515 1.00 3.42 H new ATOM 0 HD2 PHE A 24 -2.655 14.699 -11.020 1.00 3.46 H new ATOM 0 HE1 PHE A 24 -0.767 10.290 -12.112 1.00 4.26 H new ATOM 0 HE2 PHE A 24 -0.280 14.496 -11.617 1.00 4.14 H new ATOM 0 HZ PHE A 24 0.669 12.287 -12.161 1.00 4.53 H new ATOM 337 N HIS A 25 -7.154 12.295 -9.908 1.00 2.92 N ATOM 338 CA HIS A 25 -8.589 12.498 -9.724 1.00 3.82 C ATOM 339 C HIS A 25 -9.062 11.948 -8.381 1.00 4.29 C ATOM 340 O HIS A 25 -10.182 12.227 -7.948 1.00 5.21 O ATOM 341 CB HIS A 25 -9.369 11.835 -10.860 1.00 4.09 C ATOM 342 CG HIS A 25 -9.045 12.390 -12.213 1.00 4.34 C ATOM 343 ND1 HIS A 25 -9.911 13.193 -12.926 1.00 4.48 N ATOM 344 CD2 HIS A 25 -7.942 12.248 -12.987 1.00 4.95 C ATOM 345 CE1 HIS A 25 -9.355 13.521 -14.079 1.00 5.04 C ATOM 346 NE2 HIS A 25 -8.162 12.962 -14.139 1.00 5.34 N ATOM 0 H HIS A 25 -6.909 11.739 -10.727 1.00 2.92 H new ATOM 0 HA HIS A 25 -8.776 13.572 -9.737 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -9.161 10.765 -10.856 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -10.436 11.953 -10.674 1.00 4.09 H new ATOM 0 HD2 HIS A 25 -7.056 11.680 -12.744 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -9.801 14.141 -14.842 1.00 5.04 H new ATOM 0 HE2 HIS A 25 -7.507 13.047 -14.917 1.00 5.34 H new ATOM 355 N GLY A 26 -8.209 11.165 -7.728 1.00 3.87 N ATOM 356 CA GLY A 26 -8.563 10.594 -6.442 1.00 4.35 C ATOM 357 C GLY A 26 -8.582 11.629 -5.331 1.00 3.82 C ATOM 358 O GLY A 26 -9.147 12.712 -5.492 1.00 3.81 O ATOM 0 H GLY A 26 -7.280 10.916 -8.066 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -9.544 10.125 -6.514 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -7.852 9.808 -6.189 1.00 4.35 H new ATOM 362 N TYR A 27 -7.964 11.295 -4.202 1.00 3.61 N ATOM 363 CA TYR A 27 -7.912 12.201 -3.059 1.00 3.21 C ATOM 364 C TYR A 27 -7.152 13.480 -3.418 1.00 2.51 C ATOM 365 O TYR A 27 -5.966 13.428 -3.740 1.00 2.56 O ATOM 366 CB TYR A 27 -7.242 11.510 -1.868 1.00 3.64 C ATOM 367 CG TYR A 27 -7.408 12.252 -0.562 1.00 4.16 C ATOM 368 CD1 TYR A 27 -8.648 12.340 0.058 1.00 4.99 C ATOM 369 CD2 TYR A 27 -6.322 12.863 0.053 1.00 4.26 C ATOM 370 CE1 TYR A 27 -8.801 13.020 1.252 1.00 5.76 C ATOM 371 CE2 TYR A 27 -6.468 13.542 1.247 1.00 5.19 C ATOM 372 CZ TYR A 27 -7.716 13.617 1.841 1.00 5.88 C ATOM 373 OH TYR A 27 -7.858 14.294 3.031 1.00 6.91 O ATOM 0 H TYR A 27 -7.492 10.403 -4.054 1.00 3.61 H new ATOM 0 HA TYR A 27 -8.933 12.469 -2.786 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -7.656 10.507 -1.761 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -6.179 11.395 -2.077 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -9.506 11.870 -0.400 1.00 4.99 H new ATOM 0 HD2 TYR A 27 -5.348 12.806 -0.410 1.00 4.26 H new ATOM 0 HE1 TYR A 27 -9.773 13.081 1.720 1.00 5.76 H new ATOM 0 HE2 TYR A 27 -5.614 14.011 1.714 1.00 5.19 H new ATOM 0 HH TYR A 27 -6.990 14.654 3.308 1.00 6.91 H new ATOM 383 N PRO A 28 -7.824 14.650 -3.367 1.00 2.25 N ATOM 384 CA PRO A 28 -7.194 15.931 -3.697 1.00 2.05 C ATOM 385 C PRO A 28 -6.340 16.484 -2.559 1.00 1.79 C ATOM 386 O PRO A 28 -6.142 17.694 -2.454 1.00 2.41 O ATOM 387 CB PRO A 28 -8.391 16.844 -3.957 1.00 2.45 C ATOM 388 CG PRO A 28 -9.469 16.306 -3.081 1.00 2.79 C ATOM 389 CD PRO A 28 -9.243 14.817 -2.992 1.00 2.71 C ATOM 0 HA PRO A 28 -6.507 15.841 -4.538 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -8.160 17.880 -3.711 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -8.685 16.823 -5.006 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -9.431 16.764 -2.093 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -10.453 16.525 -3.496 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -9.437 14.443 -1.987 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -9.902 14.272 -3.668 1.00 2.71 H new ATOM 397 N GLY A 29 -5.830 15.592 -1.714 1.00 1.45 N ATOM 398 CA GLY A 29 -5.004 16.019 -0.599 1.00 1.37 C ATOM 399 C GLY A 29 -3.743 15.188 -0.456 1.00 1.15 C ATOM 400 O GLY A 29 -3.476 14.633 0.610 1.00 1.42 O ATOM 0 H GLY A 29 -5.974 14.584 -1.781 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -4.732 17.066 -0.733 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -5.583 15.956 0.322 1.00 1.37 H new ATOM 404 N ILE A 30 -2.966 15.103 -1.532 1.00 1.02 N ATOM 405 CA ILE A 30 -1.726 14.335 -1.521 1.00 0.84 C ATOM 406 C ILE A 30 -0.783 14.801 -2.633 1.00 0.87 C ATOM 407 O ILE A 30 -1.145 14.801 -3.810 1.00 1.18 O ATOM 408 CB ILE A 30 -2.007 12.822 -1.672 1.00 0.87 C ATOM 409 CG1 ILE A 30 -0.701 12.018 -1.642 1.00 0.77 C ATOM 410 CG2 ILE A 30 -2.777 12.543 -2.953 1.00 1.08 C ATOM 411 CD1 ILE A 30 -0.273 11.603 -0.250 1.00 0.75 C ATOM 0 H ILE A 30 -3.173 15.556 -2.422 1.00 1.02 H new ATOM 0 HA ILE A 30 -1.245 14.506 -0.558 1.00 0.84 H new ATOM 0 HB ILE A 30 -2.620 12.507 -0.828 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -0.820 11.126 -2.257 1.00 0.77 H new ATOM 0 HG13 ILE A 30 0.092 12.613 -2.094 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -2.964 11.473 -3.039 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -3.727 13.077 -2.930 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -2.193 12.879 -3.809 1.00 1.08 H new ATOM 0 HD11 ILE A 30 0.658 11.039 -0.309 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.121 12.491 0.364 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.047 10.980 0.198 1.00 0.75 H new ATOM 423 N THR A 31 0.424 15.207 -2.248 1.00 0.88 N ATOM 424 CA THR A 31 1.419 15.672 -3.209 1.00 0.97 C ATOM 425 C THR A 31 2.325 14.526 -3.647 1.00 0.86 C ATOM 426 O THR A 31 2.478 13.537 -2.930 1.00 0.78 O ATOM 427 CB THR A 31 2.286 16.804 -2.621 1.00 1.07 C ATOM 428 OG1 THR A 31 1.451 17.791 -2.002 1.00 1.72 O ATOM 429 CG2 THR A 31 3.134 17.460 -3.701 1.00 1.06 C ATOM 0 H THR A 31 0.736 15.223 -1.277 1.00 0.88 H new ATOM 0 HA THR A 31 0.875 16.057 -4.072 1.00 0.97 H new ATOM 0 HB THR A 31 2.951 16.368 -1.875 1.00 1.07 H new ATOM 0 HG1 THR A 31 2.009 18.505 -1.630 1.00 1.72 H new ATOM 0 HG21 THR A 31 3.735 18.254 -3.259 1.00 1.06 H new ATOM 0 HG22 THR A 31 3.791 16.715 -4.150 1.00 1.06 H new ATOM 0 HG23 THR A 31 2.484 17.881 -4.468 1.00 1.06 H new ATOM 437 N GLU A 32 2.920 14.662 -4.828 1.00 0.93 N ATOM 438 CA GLU A 32 3.806 13.633 -5.360 1.00 0.95 C ATOM 439 C GLU A 32 5.072 13.505 -4.514 1.00 0.84 C ATOM 440 O GLU A 32 5.811 12.527 -4.628 1.00 0.91 O ATOM 441 CB GLU A 32 4.165 13.947 -6.814 1.00 1.15 C ATOM 442 CG GLU A 32 5.040 12.895 -7.476 1.00 1.47 C ATOM 443 CD GLU A 32 5.407 13.257 -8.901 1.00 1.59 C ATOM 444 OE1 GLU A 32 4.639 12.902 -9.820 1.00 1.56 O ATOM 445 OE2 GLU A 32 6.463 13.893 -9.099 1.00 1.98 O ATOM 0 H GLU A 32 2.805 15.474 -5.434 1.00 0.93 H new ATOM 0 HA GLU A 32 3.280 12.679 -5.323 1.00 0.95 H new ATOM 0 HB2 GLU A 32 3.246 14.054 -7.389 1.00 1.15 H new ATOM 0 HB3 GLU A 32 4.678 14.908 -6.851 1.00 1.15 H new ATOM 0 HG2 GLU A 32 5.951 12.765 -6.892 1.00 1.47 H new ATOM 0 HG3 GLU A 32 4.519 11.938 -7.471 1.00 1.47 H new ATOM 452 N GLU A 33 5.318 14.499 -3.670 1.00 0.80 N ATOM 453 CA GLU A 33 6.484 14.494 -2.793 1.00 0.79 C ATOM 454 C GLU A 33 6.039 14.347 -1.345 1.00 0.64 C ATOM 455 O GLU A 33 6.859 14.251 -0.431 1.00 0.70 O ATOM 456 CB GLU A 33 7.298 15.778 -2.968 1.00 0.97 C ATOM 457 CG GLU A 33 7.889 15.939 -4.359 1.00 1.63 C ATOM 458 CD GLU A 33 8.716 17.202 -4.496 1.00 2.05 C ATOM 459 OE1 GLU A 33 9.933 17.149 -4.216 1.00 2.36 O ATOM 460 OE2 GLU A 33 8.149 18.245 -4.885 1.00 2.64 O ATOM 0 H GLU A 33 4.724 15.322 -3.573 1.00 0.80 H new ATOM 0 HA GLU A 33 7.118 13.649 -3.060 1.00 0.79 H new ATOM 0 HB2 GLU A 33 6.660 16.635 -2.752 1.00 0.97 H new ATOM 0 HB3 GLU A 33 8.105 15.789 -2.236 1.00 0.97 H new ATOM 0 HG2 GLU A 33 8.512 15.074 -4.588 1.00 1.63 H new ATOM 0 HG3 GLU A 33 7.083 15.955 -5.093 1.00 1.63 H new ATOM 467 N LEU A 34 4.726 14.335 -1.153 1.00 0.54 N ATOM 468 CA LEU A 34 4.137 14.196 0.169 1.00 0.49 C ATOM 469 C LEU A 34 4.033 12.729 0.566 1.00 0.43 C ATOM 470 O LEU A 34 4.182 12.381 1.737 1.00 0.46 O ATOM 471 CB LEU A 34 2.752 14.830 0.186 1.00 0.57 C ATOM 472 CG LEU A 34 2.010 14.730 1.513 1.00 0.91 C ATOM 473 CD1 LEU A 34 2.462 15.825 2.469 1.00 1.75 C ATOM 474 CD2 LEU A 34 0.517 14.803 1.270 1.00 1.48 C ATOM 0 H LEU A 34 4.044 14.421 -1.906 1.00 0.54 H new ATOM 0 HA LEU A 34 4.781 14.704 0.887 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.848 15.883 -0.080 1.00 0.57 H new ATOM 0 HB3 LEU A 34 2.145 14.360 -0.588 1.00 0.57 H new ATOM 0 HG LEU A 34 2.242 13.771 1.977 1.00 0.91 H new ATOM 0 HD11 LEU A 34 1.919 15.734 3.410 1.00 1.75 H new ATOM 0 HD12 LEU A 34 3.531 15.726 2.656 1.00 1.75 H new ATOM 0 HD13 LEU A 34 2.260 16.800 2.027 1.00 1.75 H new ATOM 0 HD21 LEU A 34 -0.010 14.731 2.221 1.00 1.48 H new ATOM 0 HD22 LEU A 34 0.272 15.751 0.790 1.00 1.48 H new ATOM 0 HD23 LEU A 34 0.213 13.980 0.623 1.00 1.48 H new ATOM 486 N LEU A 35 3.769 11.874 -0.420 1.00 0.45 N ATOM 487 CA LEU A 35 3.635 10.447 -0.188 1.00 0.49 C ATOM 488 C LEU A 35 4.828 9.889 0.583 1.00 0.43 C ATOM 489 O LEU A 35 4.722 8.857 1.243 1.00 0.50 O ATOM 490 CB LEU A 35 3.432 9.723 -1.530 1.00 0.63 C ATOM 491 CG LEU A 35 4.680 9.405 -2.380 1.00 0.64 C ATOM 492 CD1 LEU A 35 5.653 10.574 -2.422 1.00 0.89 C ATOM 493 CD2 LEU A 35 5.371 8.139 -1.885 1.00 1.08 C ATOM 0 H LEU A 35 3.644 12.153 -1.393 1.00 0.45 H new ATOM 0 HA LEU A 35 2.758 10.274 0.435 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.918 8.783 -1.328 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.760 10.329 -2.138 1.00 0.63 H new ATOM 0 HG LEU A 35 4.338 9.232 -3.400 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.517 10.307 -3.031 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.159 11.443 -2.855 1.00 0.89 H new ATOM 0 HD13 LEU A 35 5.982 10.810 -1.410 1.00 0.89 H new ATOM 0 HD21 LEU A 35 6.247 7.938 -2.501 1.00 1.08 H new ATOM 0 HD22 LEU A 35 5.680 8.275 -0.849 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.680 7.298 -1.951 1.00 1.08 H new ATOM 505 N ARG A 36 5.958 10.584 0.506 1.00 0.38 N ATOM 506 CA ARG A 36 7.166 10.159 1.201 1.00 0.38 C ATOM 507 C ARG A 36 7.135 10.616 2.653 1.00 0.34 C ATOM 508 O ARG A 36 7.168 9.804 3.576 1.00 0.37 O ATOM 509 CB ARG A 36 8.409 10.725 0.507 1.00 0.46 C ATOM 510 CG ARG A 36 9.663 10.676 1.368 1.00 1.18 C ATOM 511 CD ARG A 36 10.818 11.417 0.717 1.00 1.73 C ATOM 512 NE ARG A 36 11.939 11.598 1.637 1.00 2.64 N ATOM 513 CZ ARG A 36 12.701 12.688 1.668 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.464 13.692 0.836 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.700 12.776 2.536 1.00 4.28 N ATOM 0 H ARG A 36 6.062 11.445 -0.031 1.00 0.38 H new ATOM 0 HA ARG A 36 7.209 9.070 1.174 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.587 10.167 -0.412 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.216 11.759 0.220 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.453 11.114 2.344 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.947 9.638 1.540 1.00 1.18 H new ATOM 0 HD2 ARG A 36 11.154 10.865 -0.161 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.474 12.391 0.368 1.00 1.73 H new ATOM 0 HE ARG A 36 12.149 10.846 2.293 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.695 13.631 0.169 1.00 3.46 H new ATOM 0 HH12 ARG A 36 13.051 14.526 0.863 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.885 12.007 3.181 1.00 4.28 H new ATOM 0 HH22 ARG A 36 14.284 13.612 2.559 1.00 4.28 H new ATOM 529 N SER A 37 7.070 11.927 2.839 1.00 0.36 N ATOM 530 CA SER A 37 7.049 12.519 4.170 1.00 0.40 C ATOM 531 C SER A 37 5.858 12.027 4.991 1.00 0.40 C ATOM 532 O SER A 37 5.869 12.110 6.220 1.00 0.46 O ATOM 533 CB SER A 37 7.012 14.044 4.065 1.00 0.47 C ATOM 534 OG SER A 37 6.975 14.641 5.349 1.00 1.33 O ATOM 0 H SER A 37 7.031 12.606 2.079 1.00 0.36 H new ATOM 0 HA SER A 37 7.959 12.209 4.683 1.00 0.40 H new ATOM 0 HB2 SER A 37 7.889 14.396 3.522 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.137 14.351 3.492 1.00 0.47 H new ATOM 0 HG SER A 37 6.953 15.616 5.256 1.00 1.33 H new ATOM 540 N GLN A 38 4.833 11.517 4.313 1.00 0.36 N ATOM 541 CA GLN A 38 3.634 11.036 4.992 1.00 0.39 C ATOM 542 C GLN A 38 3.935 9.899 5.968 1.00 0.43 C ATOM 543 O GLN A 38 3.379 9.865 7.066 1.00 0.67 O ATOM 544 CB GLN A 38 2.588 10.588 3.969 1.00 0.42 C ATOM 545 CG GLN A 38 1.579 11.669 3.623 1.00 0.74 C ATOM 546 CD GLN A 38 0.746 12.092 4.819 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.477 11.292 5.716 1.00 1.74 O ATOM 548 NE2 GLN A 38 0.337 13.355 4.840 1.00 1.84 N ATOM 0 H GLN A 38 4.809 11.426 3.297 1.00 0.36 H new ATOM 0 HA GLN A 38 3.240 11.868 5.575 1.00 0.39 H new ATOM 0 HB2 GLN A 38 3.095 10.270 3.058 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.058 9.719 4.359 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.104 12.537 3.225 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.919 11.306 2.835 1.00 0.74 H new ATOM 0 HE21 GLN A 38 0.583 13.984 4.075 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -0.223 13.697 5.621 1.00 1.84 H new ATOM 557 N LEU A 39 4.806 8.969 5.579 1.00 0.41 N ATOM 558 CA LEU A 39 5.132 7.840 6.451 1.00 0.53 C ATOM 559 C LEU A 39 6.615 7.465 6.401 1.00 0.51 C ATOM 560 O LEU A 39 7.187 7.053 7.411 1.00 0.61 O ATOM 561 CB LEU A 39 4.285 6.620 6.077 1.00 0.69 C ATOM 562 CG LEU A 39 2.771 6.844 6.096 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.262 7.191 4.705 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.059 5.613 6.637 1.00 1.07 C ATOM 0 H LEU A 39 5.292 8.972 4.682 1.00 0.41 H new ATOM 0 HA LEU A 39 4.907 8.155 7.470 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.574 6.290 5.079 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.524 5.808 6.764 1.00 0.69 H new ATOM 0 HG LEU A 39 2.555 7.684 6.756 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.184 7.346 4.740 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.749 8.102 4.356 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.489 6.374 4.020 1.00 1.09 H new ATOM 0 HD21 LEU A 39 0.983 5.789 6.644 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.283 4.755 6.003 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.400 5.412 7.652 1.00 1.07 H new ATOM 576 N TYR A 40 7.234 7.607 5.234 1.00 0.46 N ATOM 577 CA TYR A 40 8.644 7.250 5.072 1.00 0.48 C ATOM 578 C TYR A 40 9.494 8.458 4.695 1.00 0.42 C ATOM 579 O TYR A 40 9.710 8.725 3.515 1.00 0.46 O ATOM 580 CB TYR A 40 8.802 6.153 4.010 1.00 0.58 C ATOM 581 CG TYR A 40 7.693 6.131 2.981 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.422 5.683 3.310 1.00 0.99 C ATOM 583 CD2 TYR A 40 7.919 6.562 1.681 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.407 5.664 2.375 1.00 1.38 C ATOM 585 CE2 TYR A 40 6.912 6.543 0.741 1.00 1.30 C ATOM 586 CZ TYR A 40 5.656 6.085 1.093 1.00 1.48 C ATOM 587 OH TYR A 40 4.652 6.080 0.153 1.00 1.97 O ATOM 0 H TYR A 40 6.787 7.964 4.389 1.00 0.46 H new ATOM 0 HA TYR A 40 8.996 6.877 6.034 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.755 6.290 3.499 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.843 5.184 4.507 1.00 0.58 H new ATOM 0 HD1 TYR A 40 6.223 5.343 4.316 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.900 6.918 1.402 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.421 5.319 2.651 1.00 1.38 H new ATOM 0 HE2 TYR A 40 7.103 6.884 -0.266 1.00 1.30 H new ATOM 0 HH TYR A 40 4.906 5.498 -0.593 1.00 1.97 H new ATOM 597 N PRO A 41 9.990 9.209 5.695 1.00 0.47 N ATOM 598 CA PRO A 41 10.824 10.382 5.457 1.00 0.51 C ATOM 599 C PRO A 41 12.291 10.016 5.254 1.00 0.57 C ATOM 600 O PRO A 41 13.155 10.891 5.184 1.00 0.79 O ATOM 601 CB PRO A 41 10.649 11.184 6.742 1.00 0.66 C ATOM 602 CG PRO A 41 10.451 10.152 7.801 1.00 0.75 C ATOM 603 CD PRO A 41 9.768 8.981 7.137 1.00 0.62 C ATOM 0 HA PRO A 41 10.539 10.919 4.552 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.524 11.801 6.947 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.793 11.856 6.677 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.406 9.851 8.232 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.843 10.544 8.616 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.196 8.033 7.462 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.705 8.950 7.377 1.00 0.62 H new ATOM 611 N GLU A 42 12.567 8.717 5.161 1.00 0.48 N ATOM 612 CA GLU A 42 13.932 8.237 4.973 1.00 0.55 C ATOM 613 C GLU A 42 14.236 7.989 3.498 1.00 0.57 C ATOM 614 O GLU A 42 15.299 8.370 3.007 1.00 0.71 O ATOM 615 CB GLU A 42 14.166 6.958 5.780 1.00 0.59 C ATOM 616 CG GLU A 42 13.211 5.828 5.433 1.00 0.58 C ATOM 617 CD GLU A 42 13.517 4.554 6.196 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.293 4.529 7.425 1.00 0.87 O ATOM 619 OE2 GLU A 42 13.983 3.581 5.566 1.00 0.94 O ATOM 0 H GLU A 42 11.864 7.980 5.213 1.00 0.48 H new ATOM 0 HA GLU A 42 14.608 9.013 5.333 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.189 6.619 5.617 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.072 7.187 6.841 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.189 6.141 5.649 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.263 5.628 4.363 1.00 0.58 H new ATOM 626 N VAL A 43 13.304 7.352 2.794 1.00 0.52 N ATOM 627 CA VAL A 43 13.493 7.063 1.380 1.00 0.60 C ATOM 628 C VAL A 43 13.063 8.255 0.521 1.00 0.51 C ATOM 629 O VAL A 43 11.918 8.697 0.597 1.00 0.52 O ATOM 630 CB VAL A 43 12.710 5.799 0.951 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.213 6.017 1.065 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.086 5.389 -0.465 1.00 0.99 C ATOM 0 H VAL A 43 12.416 7.029 3.179 1.00 0.52 H new ATOM 0 HA VAL A 43 14.556 6.877 1.226 1.00 0.60 H new ATOM 0 HB VAL A 43 12.984 4.990 1.628 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.689 5.112 0.757 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.957 6.251 2.098 1.00 0.90 H new ATOM 0 HG13 VAL A 43 10.916 6.845 0.422 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.524 4.498 -0.747 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.850 6.200 -1.154 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.154 5.174 -0.510 1.00 0.99 H new ATOM 642 N PRO A 44 13.981 8.807 -0.297 1.00 0.56 N ATOM 643 CA PRO A 44 13.677 9.951 -1.161 1.00 0.54 C ATOM 644 C PRO A 44 12.455 9.698 -2.036 1.00 0.54 C ATOM 645 O PRO A 44 12.079 8.547 -2.262 1.00 0.60 O ATOM 646 CB PRO A 44 14.935 10.108 -2.029 1.00 0.64 C ATOM 647 CG PRO A 44 15.711 8.849 -1.833 1.00 0.67 C ATOM 648 CD PRO A 44 15.374 8.372 -0.452 1.00 0.76 C ATOM 0 HA PRO A 44 13.440 10.843 -0.581 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.674 10.249 -3.078 1.00 0.64 H new ATOM 0 HB3 PRO A 44 15.516 10.979 -1.725 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.442 8.103 -2.581 1.00 0.67 H new ATOM 0 HG3 PRO A 44 16.781 9.030 -1.934 1.00 0.67 H new ATOM 0 HD2 PRO A 44 15.474 7.290 -0.361 1.00 0.76 H new ATOM 0 HD3 PRO A 44 16.024 8.817 0.301 1.00 0.76 H new ATOM 656 N PRO A 45 11.814 10.768 -2.540 1.00 0.56 N ATOM 657 CA PRO A 45 10.629 10.653 -3.396 1.00 0.67 C ATOM 658 C PRO A 45 10.963 10.103 -4.782 1.00 0.77 C ATOM 659 O PRO A 45 10.211 10.303 -5.736 1.00 1.08 O ATOM 660 CB PRO A 45 10.112 12.099 -3.498 1.00 0.72 C ATOM 661 CG PRO A 45 10.835 12.848 -2.428 1.00 0.63 C ATOM 662 CD PRO A 45 12.167 12.175 -2.309 1.00 0.56 C ATOM 0 HA PRO A 45 9.898 9.957 -2.984 1.00 0.67 H new ATOM 0 HB2 PRO A 45 10.316 12.522 -4.482 1.00 0.72 H new ATOM 0 HB3 PRO A 45 9.033 12.143 -3.350 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.947 13.900 -2.691 1.00 0.63 H new ATOM 0 HG3 PRO A 45 10.290 12.812 -1.485 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.879 12.544 -3.047 1.00 0.56 H new ATOM 0 HD3 PRO A 45 12.616 12.328 -1.328 1.00 0.56 H new ATOM 670 N GLU A 46 12.095 9.408 -4.884 1.00 0.65 N ATOM 671 CA GLU A 46 12.529 8.824 -6.147 1.00 0.77 C ATOM 672 C GLU A 46 12.854 7.341 -5.977 1.00 0.71 C ATOM 673 O GLU A 46 12.614 6.537 -6.878 1.00 0.81 O ATOM 674 CB GLU A 46 13.757 9.565 -6.682 1.00 0.92 C ATOM 675 CG GLU A 46 13.490 11.019 -7.036 1.00 1.61 C ATOM 676 CD GLU A 46 12.522 11.169 -8.193 1.00 2.17 C ATOM 677 OE1 GLU A 46 12.965 11.060 -9.356 1.00 2.25 O ATOM 678 OE2 GLU A 46 11.321 11.393 -7.938 1.00 3.02 O ATOM 0 H GLU A 46 12.728 9.237 -4.103 1.00 0.65 H new ATOM 0 HA GLU A 46 11.712 8.922 -6.862 1.00 0.77 H new ATOM 0 HB2 GLU A 46 14.550 9.522 -5.935 1.00 0.92 H new ATOM 0 HB3 GLU A 46 14.125 9.047 -7.567 1.00 0.92 H new ATOM 0 HG2 GLU A 46 13.089 11.534 -6.163 1.00 1.61 H new ATOM 0 HG3 GLU A 46 14.432 11.506 -7.289 1.00 1.61 H new ATOM 685 N GLU A 47 13.401 6.986 -4.817 1.00 0.63 N ATOM 686 CA GLU A 47 13.760 5.599 -4.533 1.00 0.66 C ATOM 687 C GLU A 47 12.560 4.814 -4.018 1.00 0.55 C ATOM 688 O GLU A 47 12.688 3.652 -3.631 1.00 0.59 O ATOM 689 CB GLU A 47 14.898 5.532 -3.514 1.00 0.81 C ATOM 690 CG GLU A 47 16.221 6.062 -4.042 1.00 1.25 C ATOM 691 CD GLU A 47 17.383 5.750 -3.118 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.994 4.674 -3.274 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.681 6.586 -2.238 1.00 1.58 O ATOM 0 H GLU A 47 13.605 7.638 -4.060 1.00 0.63 H new ATOM 0 HA GLU A 47 14.094 5.148 -5.468 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.616 6.102 -2.629 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.031 4.497 -3.198 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.416 5.630 -5.024 1.00 1.25 H new ATOM 0 HG3 GLU A 47 16.148 7.141 -4.177 1.00 1.25 H new ATOM 700 N PHE A 48 11.398 5.455 -4.001 1.00 0.48 N ATOM 701 CA PHE A 48 10.179 4.803 -3.539 1.00 0.45 C ATOM 702 C PHE A 48 9.613 3.892 -4.624 1.00 0.41 C ATOM 703 O PHE A 48 8.942 2.903 -4.332 1.00 0.45 O ATOM 704 CB PHE A 48 9.135 5.847 -3.134 1.00 0.54 C ATOM 705 CG PHE A 48 8.424 6.480 -4.300 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.098 7.337 -5.157 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.083 6.222 -4.536 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.449 7.922 -6.227 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.430 6.805 -5.605 1.00 2.36 C ATOM 710 CZ PHE A 48 7.105 7.641 -6.454 1.00 3.35 C ATOM 0 H PHE A 48 11.274 6.422 -4.301 1.00 0.48 H new ATOM 0 HA PHE A 48 10.426 4.196 -2.668 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.398 5.377 -2.483 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.623 6.628 -2.551 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.143 7.550 -4.986 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.543 5.558 -3.877 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.982 8.594 -6.884 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.383 6.601 -5.772 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.595 8.081 -7.298 1.00 3.35 H new ATOM 720 N ARG A 49 9.898 4.234 -5.878 1.00 0.43 N ATOM 721 CA ARG A 49 9.407 3.463 -7.017 1.00 0.47 C ATOM 722 C ARG A 49 10.021 2.060 -7.070 1.00 0.49 C ATOM 723 O ARG A 49 9.290 1.075 -7.180 1.00 0.52 O ATOM 724 CB ARG A 49 9.679 4.208 -8.324 1.00 0.58 C ATOM 725 CG ARG A 49 8.609 3.983 -9.380 1.00 1.06 C ATOM 726 CD ARG A 49 7.290 4.626 -8.981 1.00 1.14 C ATOM 727 NE ARG A 49 6.235 4.361 -9.956 1.00 1.80 N ATOM 728 CZ ARG A 49 4.941 4.562 -9.718 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.542 5.036 -8.546 1.00 2.42 N ATOM 730 NH2 ARG A 49 4.044 4.289 -10.658 1.00 3.07 N ATOM 0 H ARG A 49 10.467 5.041 -6.131 1.00 0.43 H new ATOM 0 HA ARG A 49 8.331 3.346 -6.888 1.00 0.47 H new ATOM 0 HB2 ARG A 49 9.755 5.275 -8.116 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.643 3.891 -8.721 1.00 0.58 H new ATOM 0 HG2 ARG A 49 8.943 4.396 -10.332 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.463 2.913 -9.530 1.00 1.06 H new ATOM 0 HD2 ARG A 49 6.984 4.250 -8.005 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.428 5.702 -8.879 1.00 1.14 H new ATOM 0 HE ARG A 49 6.505 4.001 -10.871 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.228 5.248 -7.822 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.549 5.188 -8.369 1.00 2.42 H new ATOM 0 HH21 ARG A 49 4.347 3.926 -11.562 1.00 3.07 H new ATOM 0 HH22 ARG A 49 3.052 4.443 -10.476 1.00 3.07 H new ATOM 744 N PRO A 50 11.366 1.931 -7.001 1.00 0.52 N ATOM 745 CA PRO A 50 12.024 0.621 -7.047 1.00 0.59 C ATOM 746 C PRO A 50 11.461 -0.329 -6.002 1.00 0.58 C ATOM 747 O PRO A 50 11.372 -1.535 -6.232 1.00 0.68 O ATOM 748 CB PRO A 50 13.501 0.928 -6.765 1.00 0.63 C ATOM 749 CG PRO A 50 13.529 2.329 -6.256 1.00 0.58 C ATOM 750 CD PRO A 50 12.346 3.020 -6.870 1.00 0.54 C ATOM 0 HA PRO A 50 11.872 0.124 -8.005 1.00 0.59 H new ATOM 0 HB2 PRO A 50 13.912 0.236 -6.030 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.102 0.827 -7.669 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.470 2.349 -5.168 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.458 2.826 -6.534 1.00 0.58 H new ATOM 0 HD2 PRO A 50 11.974 3.825 -6.237 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.592 3.462 -7.836 1.00 0.54 H new ATOM 758 N PHE A 51 11.085 0.217 -4.851 1.00 0.49 N ATOM 759 CA PHE A 51 10.510 -0.586 -3.791 1.00 0.51 C ATOM 760 C PHE A 51 9.081 -0.968 -4.158 1.00 0.45 C ATOM 761 O PHE A 51 8.613 -2.059 -3.831 1.00 0.52 O ATOM 762 CB PHE A 51 10.532 0.177 -2.467 1.00 0.60 C ATOM 763 CG PHE A 51 9.642 -0.424 -1.423 1.00 0.99 C ATOM 764 CD1 PHE A 51 10.060 -1.521 -0.691 1.00 1.44 C ATOM 765 CD2 PHE A 51 8.393 0.113 -1.167 1.00 1.29 C ATOM 766 CE1 PHE A 51 9.250 -2.073 0.278 1.00 2.02 C ATOM 767 CE2 PHE A 51 7.576 -0.433 -0.197 1.00 1.88 C ATOM 768 CZ PHE A 51 7.980 -1.548 0.495 1.00 2.20 C ATOM 0 H PHE A 51 11.170 1.210 -4.633 1.00 0.49 H new ATOM 0 HA PHE A 51 11.104 -1.492 -3.671 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.554 0.207 -2.090 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.227 1.208 -2.645 1.00 0.60 H new ATOM 0 HD1 PHE A 51 11.033 -1.950 -0.881 1.00 1.44 H new ATOM 0 HD2 PHE A 51 8.053 0.968 -1.732 1.00 1.29 H new ATOM 0 HE1 PHE A 51 9.599 -2.909 0.866 1.00 2.02 H new ATOM 0 HE2 PHE A 51 6.618 0.017 0.018 1.00 1.88 H new ATOM 0 HZ PHE A 51 7.314 -2.016 1.205 1.00 2.20 H new ATOM 778 N LEU A 52 8.397 -0.056 -4.847 1.00 0.40 N ATOM 779 CA LEU A 52 7.026 -0.292 -5.272 1.00 0.43 C ATOM 780 C LEU A 52 6.950 -1.463 -6.238 1.00 0.44 C ATOM 781 O LEU A 52 5.885 -2.032 -6.441 1.00 0.50 O ATOM 782 CB LEU A 52 6.433 0.956 -5.933 1.00 0.55 C ATOM 783 CG LEU A 52 5.943 2.042 -4.978 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.281 3.168 -5.753 1.00 1.33 C ATOM 785 CD2 LEU A 52 4.975 1.461 -3.964 1.00 1.15 C ATOM 0 H LEU A 52 8.773 0.852 -5.121 1.00 0.40 H new ATOM 0 HA LEU A 52 6.445 -0.530 -4.381 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.187 1.389 -6.590 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.599 0.649 -6.564 1.00 0.55 H new ATOM 0 HG LEU A 52 6.803 2.445 -4.444 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.937 3.934 -5.059 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.000 3.604 -6.447 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.431 2.775 -6.310 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.636 2.249 -3.292 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.117 1.033 -4.483 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.475 0.683 -3.388 1.00 1.15 H new ATOM 797 N ALA A 53 8.079 -1.825 -6.836 1.00 0.48 N ATOM 798 CA ALA A 53 8.099 -2.944 -7.767 1.00 0.59 C ATOM 799 C ALA A 53 7.461 -4.168 -7.120 1.00 0.60 C ATOM 800 O ALA A 53 7.017 -5.092 -7.803 1.00 0.76 O ATOM 801 CB ALA A 53 9.522 -3.247 -8.210 1.00 0.67 C ATOM 0 H ALA A 53 8.980 -1.367 -6.695 1.00 0.48 H new ATOM 0 HA ALA A 53 7.522 -2.676 -8.652 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.516 -4.086 -8.905 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.944 -2.371 -8.702 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.128 -3.501 -7.340 1.00 0.67 H new ATOM 807 N LYS A 54 7.425 -4.155 -5.792 1.00 0.51 N ATOM 808 CA LYS A 54 6.831 -5.235 -5.021 1.00 0.55 C ATOM 809 C LYS A 54 5.624 -4.728 -4.230 1.00 0.48 C ATOM 810 O LYS A 54 4.882 -5.510 -3.636 1.00 0.57 O ATOM 811 CB LYS A 54 7.870 -5.830 -4.070 1.00 0.62 C ATOM 812 CG LYS A 54 9.114 -6.346 -4.779 1.00 0.76 C ATOM 813 CD LYS A 54 10.271 -6.540 -3.810 1.00 0.94 C ATOM 814 CE LYS A 54 9.958 -7.605 -2.772 1.00 1.21 C ATOM 815 NZ LYS A 54 11.113 -7.853 -1.866 1.00 1.84 N ATOM 0 H LYS A 54 7.806 -3.398 -5.224 1.00 0.51 H new ATOM 0 HA LYS A 54 6.493 -6.010 -5.709 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.163 -5.072 -3.344 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.414 -6.647 -3.511 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.887 -7.292 -5.270 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.406 -5.644 -5.560 1.00 0.76 H new ATOM 0 HD2 LYS A 54 11.167 -6.822 -4.363 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.490 -5.597 -3.310 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.095 -7.295 -2.183 1.00 1.21 H new ATOM 0 HE3 LYS A 54 9.685 -8.533 -3.275 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 11.048 -8.815 -1.476 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 12.000 -7.755 -2.400 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 11.099 -7.163 -1.088 1.00 1.84 H new ATOM 829 N MET A 55 5.439 -3.407 -4.230 1.00 0.38 N ATOM 830 CA MET A 55 4.330 -2.776 -3.515 1.00 0.34 C ATOM 831 C MET A 55 3.521 -1.849 -4.429 1.00 0.33 C ATOM 832 O MET A 55 2.890 -0.903 -3.957 1.00 0.35 O ATOM 833 CB MET A 55 4.862 -1.974 -2.323 1.00 0.33 C ATOM 834 CG MET A 55 5.088 -2.809 -1.069 1.00 0.42 C ATOM 835 SD MET A 55 3.605 -3.693 -0.558 1.00 1.95 S ATOM 836 CE MET A 55 2.552 -2.333 -0.057 1.00 2.78 C ATOM 0 H MET A 55 6.047 -2.751 -4.720 1.00 0.38 H new ATOM 0 HA MET A 55 3.671 -3.571 -3.165 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.802 -1.500 -2.607 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.159 -1.174 -2.093 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.890 -3.525 -1.252 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.419 -2.160 -0.258 1.00 0.42 H new ATOM 0 HE1 MET A 55 1.678 -2.723 0.464 1.00 2.78 H new ATOM 0 HE2 MET A 55 3.105 -1.670 0.608 1.00 2.78 H new ATOM 0 HE3 MET A 55 2.231 -1.777 -0.938 1.00 2.78 H new ATOM 846 N ARG A 56 3.530 -2.125 -5.733 1.00 0.37 N ATOM 847 CA ARG A 56 2.797 -1.298 -6.691 1.00 0.42 C ATOM 848 C ARG A 56 1.529 -1.998 -7.169 1.00 0.41 C ATOM 849 O ARG A 56 0.490 -1.362 -7.348 1.00 0.43 O ATOM 850 CB ARG A 56 3.684 -0.950 -7.890 1.00 0.54 C ATOM 851 CG ARG A 56 3.998 -2.138 -8.783 1.00 1.09 C ATOM 852 CD ARG A 56 5.119 -1.814 -9.751 1.00 1.35 C ATOM 853 NE ARG A 56 4.743 -0.766 -10.697 1.00 1.81 N ATOM 854 CZ ARG A 56 5.579 -0.247 -11.592 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.831 -0.682 -11.668 1.00 2.58 N ATOM 856 NH2 ARG A 56 5.164 0.706 -12.415 1.00 3.05 N ATOM 0 H ARG A 56 4.033 -2.909 -6.148 1.00 0.37 H new ATOM 0 HA ARG A 56 2.510 -0.378 -6.182 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.191 -0.181 -8.484 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.619 -0.522 -7.527 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.280 -2.993 -8.169 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.105 -2.425 -9.339 1.00 1.09 H new ATOM 0 HD2 ARG A 56 6.000 -1.498 -9.192 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.395 -2.715 -10.299 1.00 1.35 H new ATOM 0 HE ARG A 56 3.786 -0.413 -10.670 1.00 1.81 H new ATOM 0 HH11 ARG A 56 7.155 -1.417 -11.039 1.00 2.58 H new ATOM 0 HH12 ARG A 56 7.469 -0.282 -12.356 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.202 1.042 -12.362 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.806 1.103 -13.101 1.00 3.05 H new ATOM 870 N GLY A 57 1.620 -3.308 -7.378 1.00 0.43 N ATOM 871 CA GLY A 57 0.471 -4.068 -7.834 1.00 0.45 C ATOM 872 C GLY A 57 -0.725 -3.909 -6.917 1.00 0.39 C ATOM 873 O GLY A 57 -1.870 -4.063 -7.344 1.00 0.48 O ATOM 0 H GLY A 57 2.469 -3.856 -7.240 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.201 -3.745 -8.839 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.738 -5.123 -7.899 1.00 0.45 H new ATOM 877 N ILE A 58 -0.457 -3.586 -5.656 1.00 0.41 N ATOM 878 CA ILE A 58 -1.509 -3.407 -4.670 1.00 0.39 C ATOM 879 C ILE A 58 -2.103 -2.009 -4.767 1.00 0.40 C ATOM 880 O ILE A 58 -3.321 -1.838 -4.735 1.00 0.47 O ATOM 881 CB ILE A 58 -0.985 -3.639 -3.244 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.220 -4.959 -3.176 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.134 -3.633 -2.249 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.282 -4.799 -3.284 1.00 0.71 C ATOM 0 H ILE A 58 0.486 -3.443 -5.295 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.282 -4.145 -4.883 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.304 -2.829 -2.983 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.457 -5.458 -2.236 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.566 -5.611 -3.978 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.746 -3.799 -1.244 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.643 -2.670 -2.287 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.838 -4.426 -2.501 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.757 -5.778 -3.228 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.530 -4.329 -4.236 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.641 -4.174 -2.466 1.00 0.71 H new ATOM 896 N LEU A 59 -1.233 -1.010 -4.885 1.00 0.44 N ATOM 897 CA LEU A 59 -1.674 0.375 -5.003 1.00 0.49 C ATOM 898 C LEU A 59 -2.583 0.520 -6.216 1.00 0.52 C ATOM 899 O LEU A 59 -3.529 1.308 -6.212 1.00 0.56 O ATOM 900 CB LEU A 59 -0.458 1.310 -5.113 1.00 0.58 C ATOM 901 CG LEU A 59 -0.758 2.815 -5.178 1.00 0.88 C ATOM 902 CD1 LEU A 59 -1.093 3.245 -6.597 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.886 3.190 -4.226 1.00 1.71 C ATOM 0 H LEU A 59 -0.221 -1.134 -4.901 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.236 0.654 -4.112 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.192 1.128 -4.257 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.105 1.035 -6.005 1.00 0.58 H new ATOM 0 HG LEU A 59 0.142 3.345 -4.865 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.301 4.315 -6.613 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.248 3.029 -7.251 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.970 2.699 -6.945 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -2.077 4.261 -4.293 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.789 2.643 -4.498 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.601 2.935 -3.205 1.00 1.71 H new ATOM 915 N LYS A 60 -2.284 -0.257 -7.250 1.00 0.59 N ATOM 916 CA LYS A 60 -3.069 -0.251 -8.475 1.00 0.68 C ATOM 917 C LYS A 60 -4.303 -1.132 -8.308 1.00 0.65 C ATOM 918 O LYS A 60 -5.302 -0.968 -9.008 1.00 0.74 O ATOM 919 CB LYS A 60 -2.200 -0.738 -9.646 1.00 0.80 C ATOM 920 CG LYS A 60 -2.969 -1.425 -10.767 1.00 0.92 C ATOM 921 CD LYS A 60 -3.072 -2.926 -10.537 1.00 1.07 C ATOM 922 CE LYS A 60 -3.946 -3.594 -11.586 1.00 1.10 C ATOM 923 NZ LYS A 60 -3.373 -3.457 -12.954 1.00 1.60 N ATOM 0 H LYS A 60 -1.496 -0.904 -7.262 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.403 0.764 -8.689 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -1.663 0.115 -10.062 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.450 -1.429 -9.261 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.969 -0.998 -10.838 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -2.473 -1.235 -11.719 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -2.075 -3.367 -10.558 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -3.483 -3.115 -9.546 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -4.060 -4.651 -11.344 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -4.942 -3.152 -11.564 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -3.932 -4.024 -13.623 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -3.397 -2.458 -13.242 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -2.389 -3.793 -12.953 1.00 1.60 H new ATOM 937 N SER A 61 -4.225 -2.061 -7.360 1.00 0.55 N ATOM 938 CA SER A 61 -5.320 -2.984 -7.092 1.00 0.55 C ATOM 939 C SER A 61 -6.476 -2.289 -6.380 1.00 0.57 C ATOM 940 O SER A 61 -7.638 -2.458 -6.745 1.00 0.71 O ATOM 941 CB SER A 61 -4.822 -4.148 -6.235 1.00 0.51 C ATOM 942 OG SER A 61 -5.828 -5.132 -6.075 1.00 1.20 O ATOM 0 H SER A 61 -3.409 -2.194 -6.762 1.00 0.55 H new ATOM 0 HA SER A 61 -5.683 -3.356 -8.050 1.00 0.55 H new ATOM 0 HB2 SER A 61 -3.943 -4.595 -6.699 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.513 -3.778 -5.258 1.00 0.51 H new ATOM 0 HG SER A 61 -5.483 -5.866 -5.524 1.00 1.20 H new ATOM 948 N ILE A 62 -6.147 -1.513 -5.355 1.00 0.50 N ATOM 949 CA ILE A 62 -7.158 -0.808 -4.576 1.00 0.56 C ATOM 950 C ILE A 62 -7.572 0.517 -5.222 1.00 0.64 C ATOM 951 O ILE A 62 -8.759 0.833 -5.293 1.00 0.70 O ATOM 952 CB ILE A 62 -6.661 -0.541 -3.134 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.592 -1.847 -2.333 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.566 0.461 -2.427 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.480 -2.778 -2.766 1.00 0.79 C ATOM 0 H ILE A 62 -5.189 -1.356 -5.044 1.00 0.50 H new ATOM 0 HA ILE A 62 -8.032 -1.459 -4.547 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.658 -0.118 -3.197 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.461 -1.607 -1.278 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -7.545 -2.368 -2.425 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.198 0.633 -1.416 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.568 1.402 -2.978 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.581 0.066 -2.381 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.499 -3.678 -2.151 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -5.620 -3.050 -3.812 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -4.519 -2.277 -2.647 1.00 0.79 H new ATOM 967 N ALA A 63 -6.594 1.290 -5.681 1.00 0.68 N ATOM 968 CA ALA A 63 -6.870 2.592 -6.287 1.00 0.79 C ATOM 969 C ALA A 63 -7.235 2.503 -7.771 1.00 0.84 C ATOM 970 O ALA A 63 -8.346 2.857 -8.168 1.00 0.90 O ATOM 971 CB ALA A 63 -5.673 3.511 -6.105 1.00 0.88 C ATOM 0 H ALA A 63 -5.606 1.041 -5.646 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.741 2.998 -5.773 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.885 4.479 -6.559 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -5.475 3.644 -5.041 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.799 3.070 -6.584 1.00 0.88 H new ATOM 977 N SER A 64 -6.295 2.028 -8.581 1.00 0.88 N ATOM 978 CA SER A 64 -6.496 1.938 -10.027 1.00 1.00 C ATOM 979 C SER A 64 -7.482 0.843 -10.431 1.00 0.96 C ATOM 980 O SER A 64 -7.956 0.827 -11.567 1.00 1.11 O ATOM 981 CB SER A 64 -5.157 1.701 -10.726 1.00 1.13 C ATOM 982 OG SER A 64 -5.330 1.541 -12.123 1.00 1.56 O ATOM 0 H SER A 64 -5.384 1.698 -8.262 1.00 0.88 H new ATOM 0 HA SER A 64 -6.928 2.889 -10.340 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.489 2.541 -10.533 1.00 1.13 H new ATOM 0 HB3 SER A 64 -4.680 0.813 -10.312 1.00 1.13 H new ATOM 0 HG SER A 64 -4.458 1.392 -12.546 1.00 1.56 H new ATOM 988 N ALA A 65 -7.796 -0.070 -9.519 1.00 0.84 N ATOM 989 CA ALA A 65 -8.721 -1.155 -9.839 1.00 0.84 C ATOM 990 C ALA A 65 -9.927 -1.179 -8.905 1.00 0.75 C ATOM 991 O ALA A 65 -11.048 -1.439 -9.343 1.00 0.82 O ATOM 992 CB ALA A 65 -7.996 -2.490 -9.808 1.00 0.83 C ATOM 0 H ALA A 65 -7.432 -0.084 -8.566 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.099 -0.976 -10.846 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.696 -3.290 -10.048 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.189 -2.483 -10.540 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.582 -2.656 -8.813 1.00 0.83 H new ATOM 998 N ASP A 66 -9.696 -0.905 -7.624 1.00 0.65 N ATOM 999 CA ASP A 66 -10.771 -0.905 -6.633 1.00 0.65 C ATOM 1000 C ASP A 66 -11.488 -2.254 -6.608 1.00 0.66 C ATOM 1001 O ASP A 66 -12.367 -2.516 -7.428 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.773 0.214 -6.930 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.891 0.274 -5.908 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -13.907 -0.428 -6.099 1.00 1.53 O ATOM 1005 OD2 ASP A 66 -12.751 1.022 -4.918 1.00 1.08 O ATOM 0 H ASP A 66 -8.775 -0.680 -7.247 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.326 -0.731 -5.653 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.250 1.170 -6.950 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.199 0.063 -7.922 1.00 0.75 H new ATOM 1010 N MET A 67 -11.108 -3.103 -5.659 1.00 0.55 N ATOM 1011 CA MET A 67 -11.707 -4.427 -5.535 1.00 0.55 C ATOM 1012 C MET A 67 -12.659 -4.492 -4.341 1.00 0.65 C ATOM 1013 O MET A 67 -13.158 -3.465 -3.880 1.00 0.81 O ATOM 1014 CB MET A 67 -10.613 -5.482 -5.392 1.00 0.49 C ATOM 1015 CG MET A 67 -9.581 -5.442 -6.507 1.00 0.49 C ATOM 1016 SD MET A 67 -10.252 -5.953 -8.100 1.00 1.00 S ATOM 1017 CE MET A 67 -8.772 -5.935 -9.108 1.00 1.52 C ATOM 0 H MET A 67 -10.389 -2.898 -4.965 1.00 0.55 H new ATOM 0 HA MET A 67 -12.284 -4.626 -6.438 1.00 0.55 H new ATOM 0 HB2 MET A 67 -10.108 -5.343 -4.436 1.00 0.49 H new ATOM 0 HB3 MET A 67 -11.073 -6.470 -5.369 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.185 -4.430 -6.593 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.745 -6.091 -6.245 1.00 0.49 H new ATOM 0 HE1 MET A 67 -9.040 -5.733 -10.145 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.097 -5.157 -8.750 1.00 1.52 H new ATOM 0 HE3 MET A 67 -8.276 -6.903 -9.043 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.909 -5.705 -3.846 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.810 -5.895 -2.715 1.00 0.77 C ATOM 1029 C ASP A 68 -13.163 -6.728 -1.609 1.00 0.67 C ATOM 1030 O ASP A 68 -12.733 -6.190 -0.588 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.103 -6.566 -3.180 1.00 1.02 C ATOM 1032 CG ASP A 68 -16.072 -6.812 -2.040 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -16.896 -5.918 -1.757 1.00 1.91 O ATOM 1034 OD2 ASP A 68 -16.007 -7.900 -1.430 1.00 1.92 O ATOM 0 H ASP A 68 -12.501 -6.566 -4.211 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.036 -4.911 -2.305 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -15.583 -5.940 -3.932 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -14.864 -7.515 -3.660 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.097 -8.042 -1.816 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.521 -8.947 -0.824 1.00 0.83 C ATOM 1041 C PHE A 69 -12.059 -10.254 -1.464 1.00 0.99 C ATOM 1042 O PHE A 69 -10.939 -10.707 -1.232 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.554 -9.232 0.273 1.00 1.00 C ATOM 1044 CG PHE A 69 -13.299 -10.496 1.047 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -12.327 -10.539 2.034 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -14.036 -11.642 0.788 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -12.094 -11.701 2.746 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -13.807 -12.806 1.497 1.00 2.52 C ATOM 1049 CZ PHE A 69 -12.835 -12.835 2.476 1.00 3.05 C ATOM 0 H PHE A 69 -13.435 -8.503 -2.661 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.647 -8.464 -0.387 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -13.572 -8.392 0.967 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -14.543 -9.291 -0.181 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -11.745 -9.655 2.249 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -14.798 -11.625 0.023 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -11.333 -11.722 3.512 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -14.388 -13.691 1.285 1.00 2.52 H new ATOM 0 HZ PHE A 69 -12.654 -13.744 3.031 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.928 -10.856 -2.269 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.613 -12.118 -2.933 1.00 0.89 C ATOM 1061 C ASN A 70 -11.483 -11.957 -3.947 1.00 0.83 C ATOM 1062 O ASN A 70 -10.865 -12.940 -4.357 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.858 -12.678 -3.621 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.608 -11.630 -4.418 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -14.013 -10.693 -4.950 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -15.926 -11.782 -4.501 1.00 2.40 N ATOM 0 H ASN A 70 -13.857 -10.491 -2.478 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.277 -12.818 -2.168 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -13.566 -13.493 -4.284 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.524 -13.102 -2.869 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -16.486 -11.106 -5.022 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -16.378 -12.574 -4.044 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.215 -10.719 -4.347 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.155 -10.445 -5.315 1.00 0.68 C ATOM 1075 C GLN A 71 -8.831 -10.151 -4.615 1.00 0.58 C ATOM 1076 O GLN A 71 -7.791 -10.699 -4.978 1.00 0.72 O ATOM 1077 CB GLN A 71 -10.542 -9.266 -6.209 1.00 0.74 C ATOM 1078 CG GLN A 71 -11.797 -9.506 -7.033 1.00 0.88 C ATOM 1079 CD GLN A 71 -11.641 -10.651 -8.016 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -10.542 -10.928 -8.496 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -12.745 -11.322 -8.323 1.00 1.90 N ATOM 0 H GLN A 71 -11.713 -9.892 -4.019 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.028 -11.335 -5.931 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.691 -8.384 -5.586 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -9.714 -9.045 -6.882 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -12.631 -9.718 -6.364 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.049 -8.596 -7.578 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -13.636 -11.059 -7.902 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -12.702 -12.101 -8.980 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.881 -9.280 -3.612 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.689 -8.902 -2.860 1.00 0.39 C ATOM 1092 C LEU A 72 -7.149 -10.062 -2.031 1.00 0.41 C ATOM 1093 O LEU A 72 -5.936 -10.244 -1.929 1.00 0.41 O ATOM 1094 CB LEU A 72 -8.003 -7.716 -1.948 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.461 -6.371 -2.399 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.607 -6.186 -3.901 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -8.153 -5.244 -1.649 1.00 1.06 C ATOM 0 H LEU A 72 -9.737 -8.821 -3.300 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.920 -8.621 -3.579 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -9.085 -7.635 -1.849 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -7.607 -7.931 -0.955 1.00 0.40 H new ATOM 0 HG LEU A 72 -6.396 -6.344 -2.167 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.209 -5.213 -4.188 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -7.056 -6.971 -4.419 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -8.661 -6.242 -4.174 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.754 -4.286 -1.983 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -9.224 -5.280 -1.846 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.977 -5.357 -0.579 1.00 1.06 H new ATOM 1109 N GLU A 73 -8.051 -10.837 -1.436 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.655 -11.976 -0.612 1.00 0.57 C ATOM 1111 C GLU A 73 -6.653 -12.854 -1.351 1.00 0.59 C ATOM 1112 O GLU A 73 -5.621 -13.242 -0.801 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.883 -12.800 -0.218 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.565 -13.972 0.697 1.00 0.75 C ATOM 1115 CD GLU A 73 -8.056 -13.532 2.055 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -6.836 -13.301 2.187 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -8.879 -13.418 2.989 1.00 1.76 O ATOM 0 H GLU A 73 -9.059 -10.698 -1.508 1.00 0.49 H new ATOM 0 HA GLU A 73 -7.180 -11.594 0.292 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.603 -12.149 0.278 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.363 -13.176 -1.122 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -9.461 -14.579 0.828 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.817 -14.607 0.221 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.966 -13.161 -2.604 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.102 -13.990 -3.432 1.00 0.70 C ATOM 1126 C ALA A 74 -4.997 -13.165 -4.081 1.00 0.57 C ATOM 1127 O ALA A 74 -4.004 -13.713 -4.561 1.00 0.60 O ATOM 1128 CB ALA A 74 -6.923 -14.703 -4.496 1.00 0.89 C ATOM 0 H ALA A 74 -7.817 -12.846 -3.070 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.630 -14.733 -2.789 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.266 -15.320 -5.109 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.671 -15.335 -4.016 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.421 -13.966 -5.126 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.172 -11.846 -4.096 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.195 -10.957 -4.712 1.00 0.46 C ATOM 1136 C PHE A 75 -2.959 -10.793 -3.834 1.00 0.38 C ATOM 1137 O PHE A 75 -1.850 -10.614 -4.339 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.822 -9.591 -4.989 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.930 -8.680 -5.781 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -3.797 -8.841 -7.150 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -3.224 -7.665 -5.156 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -2.974 -8.007 -7.883 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -2.400 -6.828 -5.883 1.00 0.82 C ATOM 1144 CZ PHE A 75 -2.276 -6.999 -7.249 1.00 0.91 C ATOM 0 H PHE A 75 -5.979 -11.372 -3.690 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.884 -11.408 -5.654 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.759 -9.731 -5.529 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -5.069 -9.113 -4.041 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -4.343 -9.627 -7.651 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -3.319 -7.527 -4.089 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -2.877 -8.144 -8.950 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -1.853 -6.041 -5.385 1.00 0.82 H new ATOM 0 HZ PHE A 75 -1.634 -6.345 -7.820 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.151 -10.849 -2.521 1.00 0.33 N ATOM 1155 CA LEU A 76 -2.043 -10.702 -1.585 1.00 0.36 C ATOM 1156 C LEU A 76 -1.102 -11.899 -1.667 1.00 0.40 C ATOM 1157 O LEU A 76 0.118 -11.738 -1.679 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.564 -10.537 -0.155 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.698 -9.664 0.763 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.285 -10.213 0.878 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.671 -8.229 0.264 1.00 0.80 C ATOM 0 H LEU A 76 -4.060 -10.995 -2.082 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.486 -9.806 -1.859 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.565 -10.108 -0.198 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.660 -11.525 0.295 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.145 -9.681 1.757 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.302 -9.572 1.535 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.319 -11.221 1.291 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.176 -10.240 -0.109 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -1.052 -7.625 0.927 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -1.256 -8.202 -0.744 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.685 -7.830 0.250 1.00 0.80 H new ATOM 1173 N THR A 77 -1.671 -13.100 -1.720 1.00 0.41 N ATOM 1174 CA THR A 77 -0.872 -14.311 -1.809 1.00 0.49 C ATOM 1175 C THR A 77 0.005 -14.265 -3.051 1.00 0.47 C ATOM 1176 O THR A 77 1.127 -14.765 -3.054 1.00 0.53 O ATOM 1177 CB THR A 77 -1.761 -15.568 -1.860 1.00 0.63 C ATOM 1178 OG1 THR A 77 -2.709 -15.538 -0.786 1.00 0.73 O ATOM 1179 CG2 THR A 77 -0.919 -16.831 -1.761 1.00 0.71 C ATOM 0 H THR A 77 -2.679 -13.257 -1.703 1.00 0.41 H new ATOM 0 HA THR A 77 -0.249 -14.365 -0.916 1.00 0.49 H new ATOM 0 HB THR A 77 -2.289 -15.575 -2.814 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.273 -16.339 -0.825 1.00 0.73 H new ATOM 0 HG21 THR A 77 -1.569 -17.705 -1.799 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.215 -16.865 -2.593 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.369 -16.829 -0.820 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.521 -13.646 -4.103 1.00 0.45 N ATOM 1188 CA ALA A 78 0.199 -13.514 -5.363 1.00 0.52 C ATOM 1189 C ALA A 78 1.467 -12.689 -5.181 1.00 0.53 C ATOM 1190 O ALA A 78 2.407 -12.790 -5.971 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.703 -12.877 -6.408 1.00 0.60 C ATOM 0 H ALA A 78 -1.450 -13.225 -4.106 1.00 0.45 H new ATOM 0 HA ALA A 78 0.491 -14.508 -5.702 1.00 0.52 H new ATOM 0 HB1 ALA A 78 -0.159 -12.781 -7.348 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.582 -13.503 -6.560 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -1.015 -11.890 -6.067 1.00 0.60 H new ATOM 1197 N GLN A 79 1.483 -11.875 -4.133 1.00 0.47 N ATOM 1198 CA GLN A 79 2.629 -11.025 -3.837 1.00 0.53 C ATOM 1199 C GLN A 79 3.707 -11.803 -3.092 1.00 0.54 C ATOM 1200 O GLN A 79 4.835 -11.335 -2.944 1.00 1.06 O ATOM 1201 CB GLN A 79 2.187 -9.829 -2.999 1.00 0.56 C ATOM 1202 CG GLN A 79 0.990 -9.095 -3.577 1.00 0.96 C ATOM 1203 CD GLN A 79 0.395 -8.093 -2.610 1.00 1.23 C ATOM 1204 OE1 GLN A 79 -0.802 -7.813 -2.651 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.229 -7.548 -1.730 1.00 0.61 N ATOM 0 H GLN A 79 0.712 -11.786 -3.471 1.00 0.47 H new ATOM 0 HA GLN A 79 3.046 -10.674 -4.781 1.00 0.53 H new ATOM 0 HB2 GLN A 79 1.943 -10.170 -1.993 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.020 -9.133 -2.906 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.291 -8.579 -4.489 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.226 -9.820 -3.858 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.215 -7.810 -1.732 1.00 0.61 H new ATOM 0 HE22 GLN A 79 0.883 -6.868 -1.053 1.00 0.61 H new ATOM 1214 N THR A 80 3.349 -12.994 -2.628 1.00 0.63 N ATOM 1215 CA THR A 80 4.279 -13.838 -1.890 1.00 0.65 C ATOM 1216 C THR A 80 4.680 -15.065 -2.704 1.00 0.64 C ATOM 1217 O THR A 80 5.659 -15.739 -2.383 1.00 0.73 O ATOM 1218 CB THR A 80 3.678 -14.294 -0.545 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.542 -15.137 -0.772 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.262 -13.093 0.296 1.00 0.44 C ATOM 0 H THR A 80 2.420 -13.397 -2.750 1.00 0.63 H new ATOM 0 HA THR A 80 5.166 -13.235 -1.695 1.00 0.65 H new ATOM 0 HB THR A 80 4.441 -14.853 -0.004 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.095 -14.867 -1.601 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.841 -13.438 1.240 1.00 0.44 H new ATOM 0 HG22 THR A 80 4.133 -12.468 0.494 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.514 -12.512 -0.244 1.00 0.44 H new ATOM 1228 N LYS A 81 3.920 -15.350 -3.760 1.00 0.68 N ATOM 1229 CA LYS A 81 4.204 -16.495 -4.621 1.00 0.71 C ATOM 1230 C LYS A 81 4.959 -16.060 -5.873 1.00 0.69 C ATOM 1231 O LYS A 81 5.227 -16.868 -6.762 1.00 0.81 O ATOM 1232 CB LYS A 81 2.907 -17.205 -5.019 1.00 0.76 C ATOM 1233 CG LYS A 81 2.047 -17.611 -3.832 1.00 1.54 C ATOM 1234 CD LYS A 81 0.851 -18.460 -4.250 1.00 1.55 C ATOM 1235 CE LYS A 81 0.045 -17.809 -5.366 1.00 2.12 C ATOM 1236 NZ LYS A 81 -0.495 -16.484 -4.960 1.00 3.02 N ATOM 0 H LYS A 81 3.105 -14.805 -4.039 1.00 0.68 H new ATOM 0 HA LYS A 81 4.830 -17.188 -4.059 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.328 -16.549 -5.669 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.153 -18.094 -5.600 1.00 0.76 H new ATOM 0 HG2 LYS A 81 2.655 -18.169 -3.119 1.00 1.54 H new ATOM 0 HG3 LYS A 81 1.694 -16.717 -3.319 1.00 1.54 H new ATOM 0 HD2 LYS A 81 1.200 -19.439 -4.580 1.00 1.55 H new ATOM 0 HD3 LYS A 81 0.206 -18.625 -3.387 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.676 -17.690 -6.247 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.778 -18.465 -5.650 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -0.781 -15.952 -5.806 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -1.320 -16.620 -4.341 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 0.238 -15.952 -4.448 1.00 3.02 H new ATOM 1250 N LYS A 82 5.298 -14.776 -5.936 1.00 0.66 N ATOM 1251 CA LYS A 82 6.024 -14.229 -7.077 1.00 0.74 C ATOM 1252 C LYS A 82 7.523 -14.473 -6.932 1.00 0.78 C ATOM 1253 O LYS A 82 7.960 -15.192 -6.033 1.00 0.83 O ATOM 1254 CB LYS A 82 5.763 -12.726 -7.203 1.00 0.72 C ATOM 1255 CG LYS A 82 6.166 -11.937 -5.970 1.00 0.67 C ATOM 1256 CD LYS A 82 6.278 -10.449 -6.266 1.00 0.77 C ATOM 1257 CE LYS A 82 4.916 -9.778 -6.294 1.00 0.76 C ATOM 1258 NZ LYS A 82 5.013 -8.339 -6.664 1.00 1.09 N ATOM 0 H LYS A 82 5.081 -14.094 -5.209 1.00 0.66 H new ATOM 0 HA LYS A 82 5.669 -14.734 -7.975 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.308 -12.341 -8.065 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.703 -12.564 -7.398 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.432 -12.097 -5.180 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.121 -12.307 -5.597 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.902 -9.973 -5.510 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.774 -10.305 -7.226 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.272 -10.293 -7.007 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.446 -9.870 -5.315 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 4.107 -8.021 -7.063 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.234 -7.777 -5.817 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 5.766 -8.212 -7.370 1.00 1.09 H new ATOM 1272 N GLN A 83 8.304 -13.873 -7.827 1.00 0.87 N ATOM 1273 CA GLN A 83 9.755 -14.013 -7.789 1.00 0.96 C ATOM 1274 C GLN A 83 10.316 -13.284 -6.575 1.00 0.80 C ATOM 1275 O GLN A 83 10.544 -12.074 -6.616 1.00 0.80 O ATOM 1276 CB GLN A 83 10.378 -13.452 -9.069 1.00 1.22 C ATOM 1277 CG GLN A 83 9.807 -14.062 -10.340 1.00 1.37 C ATOM 1278 CD GLN A 83 10.508 -13.570 -11.590 1.00 1.96 C ATOM 1279 OE1 GLN A 83 10.998 -12.442 -11.641 1.00 2.49 O ATOM 1280 NE2 GLN A 83 10.560 -14.419 -12.610 1.00 2.57 N ATOM 0 H GLN A 83 7.956 -13.287 -8.586 1.00 0.87 H new ATOM 0 HA GLN A 83 10.002 -15.072 -7.715 1.00 0.96 H new ATOM 0 HB2 GLN A 83 10.227 -12.373 -9.094 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.454 -13.623 -9.045 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.889 -15.148 -10.286 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.745 -13.825 -10.407 1.00 1.37 H new ATOM 0 HE21 GLN A 83 10.141 -15.345 -12.525 1.00 2.57 H new ATOM 0 HE22 GLN A 83 11.019 -14.145 -13.479 1.00 2.57 H new ATOM 1289 N GLY A 84 10.535 -14.025 -5.494 1.00 0.98 N ATOM 1290 CA GLY A 84 11.045 -13.422 -4.278 1.00 1.14 C ATOM 1291 C GLY A 84 9.932 -12.800 -3.460 1.00 1.22 C ATOM 1292 O GLY A 84 9.657 -13.233 -2.342 1.00 2.05 O ATOM 0 H GLY A 84 10.369 -15.030 -5.439 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.557 -14.178 -3.683 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.783 -12.660 -4.530 1.00 1.14 H new ATOM 1296 N GLY A 85 9.289 -11.782 -4.027 1.00 0.69 N ATOM 1297 CA GLY A 85 8.195 -11.118 -3.350 1.00 0.69 C ATOM 1298 C GLY A 85 8.578 -10.589 -1.987 1.00 0.66 C ATOM 1299 O GLY A 85 9.757 -10.528 -1.639 1.00 0.91 O ATOM 0 H GLY A 85 9.510 -11.406 -4.949 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.840 -10.293 -3.967 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.364 -11.816 -3.243 1.00 0.69 H new ATOM 1303 N ILE A 86 7.571 -10.206 -1.218 1.00 0.49 N ATOM 1304 CA ILE A 86 7.777 -9.668 0.116 1.00 0.48 C ATOM 1305 C ILE A 86 7.800 -10.776 1.165 1.00 0.50 C ATOM 1306 O ILE A 86 7.547 -11.941 0.856 1.00 0.53 O ATOM 1307 CB ILE A 86 6.667 -8.666 0.450 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.307 -9.369 0.399 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.715 -7.504 -0.536 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.141 -8.481 0.768 1.00 0.45 C ATOM 0 H ILE A 86 6.592 -10.259 -1.500 1.00 0.49 H new ATOM 0 HA ILE A 86 8.744 -9.165 0.130 1.00 0.48 H new ATOM 0 HB ILE A 86 6.815 -8.273 1.456 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.149 -9.759 -0.606 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.326 -10.225 1.074 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.925 -6.792 -0.298 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.683 -7.008 -0.467 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.571 -7.880 -1.549 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.215 -9.053 0.708 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.273 -8.111 1.785 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.093 -7.638 0.078 1.00 0.45 H new ATOM 1322 N THR A 87 8.104 -10.406 2.405 1.00 0.52 N ATOM 1323 CA THR A 87 8.161 -11.371 3.497 1.00 0.57 C ATOM 1324 C THR A 87 6.810 -11.491 4.197 1.00 0.51 C ATOM 1325 O THR A 87 5.882 -10.735 3.910 1.00 0.48 O ATOM 1326 CB THR A 87 9.240 -10.990 4.530 1.00 0.64 C ATOM 1327 OG1 THR A 87 9.303 -11.976 5.566 1.00 1.18 O ATOM 1328 CG2 THR A 87 8.952 -9.627 5.140 1.00 1.27 C ATOM 0 H THR A 87 8.314 -9.446 2.678 1.00 0.52 H new ATOM 0 HA THR A 87 8.421 -12.334 3.057 1.00 0.57 H new ATOM 0 HB THR A 87 10.199 -10.945 4.014 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.993 -11.725 6.215 1.00 1.18 H new ATOM 0 HG21 THR A 87 9.728 -9.382 5.865 1.00 1.27 H new ATOM 0 HG22 THR A 87 8.939 -8.872 4.354 1.00 1.27 H new ATOM 0 HG23 THR A 87 7.983 -9.649 5.639 1.00 1.27 H new ATOM 1336 N SER A 88 6.709 -12.447 5.115 1.00 0.56 N ATOM 1337 CA SER A 88 5.472 -12.675 5.855 1.00 0.53 C ATOM 1338 C SER A 88 5.098 -11.456 6.692 1.00 0.48 C ATOM 1339 O SER A 88 3.918 -11.166 6.891 1.00 0.48 O ATOM 1340 CB SER A 88 5.614 -13.904 6.755 1.00 0.62 C ATOM 1341 OG SER A 88 5.897 -15.066 5.994 1.00 1.53 O ATOM 0 H SER A 88 7.471 -13.078 5.365 1.00 0.56 H new ATOM 0 HA SER A 88 4.675 -12.849 5.133 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.411 -13.737 7.480 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.694 -14.052 7.321 1.00 0.62 H new ATOM 0 HG SER A 88 5.985 -15.836 6.593 1.00 1.53 H new ATOM 1347 N ASP A 89 6.109 -10.743 7.180 1.00 0.51 N ATOM 1348 CA ASP A 89 5.884 -9.556 7.997 1.00 0.51 C ATOM 1349 C ASP A 89 5.189 -8.465 7.189 1.00 0.44 C ATOM 1350 O ASP A 89 4.460 -7.640 7.738 1.00 0.45 O ATOM 1351 CB ASP A 89 7.214 -9.033 8.545 1.00 0.59 C ATOM 1352 CG ASP A 89 7.936 -10.065 9.389 1.00 1.48 C ATOM 1353 OD1 ASP A 89 8.696 -10.874 8.817 1.00 2.34 O ATOM 1354 OD2 ASP A 89 7.744 -10.062 10.624 1.00 1.85 O ATOM 0 H ASP A 89 7.092 -10.967 7.024 1.00 0.51 H new ATOM 0 HA ASP A 89 5.238 -9.833 8.830 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.854 -8.734 7.715 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.032 -8.141 9.144 1.00 0.59 H new ATOM 1359 N GLN A 90 5.422 -8.471 5.881 1.00 0.44 N ATOM 1360 CA GLN A 90 4.827 -7.481 4.989 1.00 0.42 C ATOM 1361 C GLN A 90 3.429 -7.901 4.545 1.00 0.39 C ATOM 1362 O GLN A 90 2.488 -7.108 4.598 1.00 0.52 O ATOM 1363 CB GLN A 90 5.726 -7.270 3.770 1.00 0.49 C ATOM 1364 CG GLN A 90 7.047 -6.595 4.106 1.00 0.59 C ATOM 1365 CD GLN A 90 7.407 -5.485 3.137 1.00 0.75 C ATOM 1366 OE1 GLN A 90 8.067 -4.514 3.508 1.00 1.63 O ATOM 1367 NE2 GLN A 90 6.978 -5.621 1.888 1.00 0.91 N ATOM 0 H GLN A 90 6.020 -9.152 5.413 1.00 0.44 H new ATOM 0 HA GLN A 90 4.736 -6.543 5.537 1.00 0.42 H new ATOM 0 HB2 GLN A 90 5.927 -8.235 3.304 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.194 -6.666 3.035 1.00 0.49 H new ATOM 0 HG2 GLN A 90 6.994 -6.186 5.115 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.841 -7.342 4.106 1.00 0.59 H new ATOM 0 HE21 GLN A 90 6.434 -6.442 1.622 1.00 0.91 H new ATOM 0 HE22 GLN A 90 7.193 -4.905 1.194 1.00 0.91 H new ATOM 1376 N ALA A 91 3.300 -9.147 4.113 1.00 0.37 N ATOM 1377 CA ALA A 91 2.022 -9.676 3.649 1.00 0.37 C ATOM 1378 C ALA A 91 0.953 -9.614 4.740 1.00 0.34 C ATOM 1379 O ALA A 91 -0.241 -9.678 4.451 1.00 0.40 O ATOM 1380 CB ALA A 91 2.199 -11.107 3.165 1.00 0.45 C ATOM 0 H ALA A 91 4.069 -9.816 4.073 1.00 0.37 H new ATOM 0 HA ALA A 91 1.682 -9.053 2.822 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.241 -11.496 2.820 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.916 -11.127 2.344 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.568 -11.725 3.984 1.00 0.45 H new ATOM 1386 N ALA A 92 1.388 -9.490 5.990 1.00 0.31 N ATOM 1387 CA ALA A 92 0.466 -9.438 7.122 1.00 0.33 C ATOM 1388 C ALA A 92 -0.234 -8.088 7.241 1.00 0.28 C ATOM 1389 O ALA A 92 -1.417 -8.028 7.572 1.00 0.34 O ATOM 1390 CB ALA A 92 1.199 -9.759 8.413 1.00 0.40 C ATOM 0 H ALA A 92 2.373 -9.424 6.246 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.304 -10.188 6.942 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.500 -9.717 9.248 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.628 -10.759 8.349 1.00 0.40 H new ATOM 0 HB3 ALA A 92 1.996 -9.032 8.569 1.00 0.40 H new ATOM 1396 N VAL A 93 0.491 -7.005 6.975 1.00 0.26 N ATOM 1397 CA VAL A 93 -0.086 -5.669 7.084 1.00 0.30 C ATOM 1398 C VAL A 93 -0.802 -5.243 5.803 1.00 0.28 C ATOM 1399 O VAL A 93 -1.725 -4.428 5.844 1.00 0.35 O ATOM 1400 CB VAL A 93 0.985 -4.620 7.457 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.585 -3.965 6.219 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.394 -3.577 8.390 1.00 0.55 C ATOM 0 H VAL A 93 1.469 -7.025 6.685 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.825 -5.719 7.884 1.00 0.30 H new ATOM 0 HB VAL A 93 1.795 -5.135 7.974 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.334 -3.233 6.521 1.00 0.43 H new ATOM 0 HG12 VAL A 93 2.053 -4.727 5.595 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.798 -3.466 5.654 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.158 -2.843 8.646 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.439 -3.077 7.896 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.038 -4.062 9.299 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.378 -5.791 4.668 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.987 -5.447 3.387 1.00 0.25 C ATOM 1414 C ILE A 94 -2.300 -6.194 3.179 1.00 0.25 C ATOM 1415 O ILE A 94 -3.266 -5.621 2.689 1.00 0.28 O ATOM 1416 CB ILE A 94 -0.039 -5.743 2.210 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.357 -5.195 2.497 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.583 -5.136 0.924 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.420 -5.776 1.597 1.00 0.52 C ATOM 0 H ILE A 94 0.380 -6.471 4.609 1.00 0.24 H new ATOM 0 HA ILE A 94 -1.187 -4.376 3.414 1.00 0.25 H new ATOM 0 HB ILE A 94 0.028 -6.824 2.088 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.346 -4.111 2.382 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.616 -5.403 3.535 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.099 -5.354 0.102 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.562 -5.562 0.706 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.675 -4.056 1.042 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.388 -5.345 1.853 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.457 -6.857 1.729 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.183 -5.545 0.558 1.00 0.52 H new ATOM 1431 N SER A 95 -2.331 -7.473 3.551 1.00 0.27 N ATOM 1432 CA SER A 95 -3.542 -8.288 3.409 1.00 0.34 C ATOM 1433 C SER A 95 -4.725 -7.644 4.129 1.00 0.39 C ATOM 1434 O SER A 95 -5.880 -7.994 3.890 1.00 0.47 O ATOM 1435 CB SER A 95 -3.303 -9.693 3.967 1.00 0.40 C ATOM 1436 OG SER A 95 -4.447 -10.512 3.799 1.00 0.49 O ATOM 0 H SER A 95 -1.535 -7.968 3.952 1.00 0.27 H new ATOM 0 HA SER A 95 -3.778 -8.356 2.347 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.450 -10.147 3.463 1.00 0.40 H new ATOM 0 HB3 SER A 95 -3.051 -9.629 5.025 1.00 0.40 H new ATOM 0 HG SER A 95 -4.267 -11.404 4.162 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.418 -6.706 5.014 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.432 -6.003 5.791 1.00 0.46 C ATOM 1444 C LYS A 96 -6.066 -4.866 4.991 1.00 0.45 C ATOM 1445 O LYS A 96 -6.903 -4.125 5.507 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.807 -5.463 7.077 1.00 0.50 C ATOM 1447 CG LYS A 96 -4.074 -6.527 7.874 1.00 0.57 C ATOM 1448 CD LYS A 96 -3.170 -5.918 8.934 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.971 -5.375 10.106 1.00 1.32 C ATOM 1450 NZ LYS A 96 -3.103 -4.700 11.109 1.00 2.12 N ATOM 0 H LYS A 96 -3.462 -6.411 5.214 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.224 -6.710 6.038 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.112 -4.661 6.828 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.589 -5.026 7.698 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.799 -7.187 8.350 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.479 -7.141 7.198 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.467 -6.671 9.290 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.580 -5.115 8.492 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.717 -4.670 9.740 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.512 -6.191 10.585 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.689 -4.344 11.891 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.407 -5.379 11.478 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.606 -3.905 10.659 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.650 -4.725 3.734 1.00 0.39 N ATOM 1465 CA PHE A 97 -6.154 -3.662 2.861 1.00 0.40 C ATOM 1466 C PHE A 97 -7.683 -3.654 2.711 1.00 0.48 C ATOM 1467 O PHE A 97 -8.219 -2.832 1.967 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.489 -3.718 1.472 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.332 -5.094 0.855 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -6.006 -6.203 1.346 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.487 -5.267 -0.232 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.837 -7.450 0.767 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.318 -6.510 -0.813 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.994 -7.601 -0.312 1.00 0.53 C ATOM 0 H PHE A 97 -4.962 -5.336 3.294 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.884 -2.730 3.357 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -6.073 -3.102 0.788 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.502 -3.263 1.547 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.671 -6.093 2.190 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.953 -4.417 -0.630 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.367 -8.304 1.162 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.657 -6.626 -1.659 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.863 -8.573 -0.764 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.391 -4.549 3.400 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.854 -4.568 3.317 1.00 0.63 C ATOM 1486 C TRP A 98 -10.504 -4.723 4.691 1.00 0.69 C ATOM 1487 O TRP A 98 -11.725 -4.618 4.815 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.356 -5.663 2.367 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.817 -7.033 2.652 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -8.891 -7.705 1.914 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.182 -7.908 3.729 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.640 -8.934 2.470 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.422 -9.083 3.583 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -11.069 -7.812 4.805 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.521 -10.151 4.467 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.169 -8.876 5.683 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.398 -10.032 5.510 1.00 1.00 C ATOM 0 H TRP A 98 -7.986 -5.258 4.011 1.00 0.52 H new ATOM 0 HA TRP A 98 -10.150 -3.601 2.911 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.444 -5.698 2.417 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -10.092 -5.388 1.346 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.421 -7.325 1.019 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -7.979 -9.624 2.112 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.665 -6.923 4.948 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -8.927 -11.043 4.335 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.853 -8.814 6.516 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.498 -10.845 6.214 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.697 -4.971 5.718 1.00 0.75 N ATOM 1509 CA LYS A 99 -10.221 -5.128 7.069 1.00 0.91 C ATOM 1510 C LYS A 99 -9.971 -3.870 7.894 1.00 1.11 C ATOM 1511 O LYS A 99 -10.715 -3.569 8.827 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.593 -6.348 7.749 1.00 0.90 C ATOM 1513 CG LYS A 99 -8.079 -6.267 7.901 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.666 -5.576 9.195 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.215 -6.294 10.415 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.844 -5.605 11.682 1.00 1.67 N ATOM 0 H LYS A 99 -8.684 -5.067 5.641 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.298 -5.285 7.002 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -10.040 -6.470 8.736 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.842 -7.239 7.173 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.659 -7.273 7.878 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.659 -5.727 7.053 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.578 -5.536 9.255 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -8.023 -4.546 9.188 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.301 -6.356 10.341 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.837 -7.316 10.434 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.239 -6.128 12.490 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.808 -5.568 11.766 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -8.226 -4.638 11.676 1.00 1.67 H new ATOM 1530 N SER A 100 -8.917 -3.140 7.541 1.00 1.14 N ATOM 1531 CA SER A 100 -8.566 -1.910 8.242 1.00 1.47 C ATOM 1532 C SER A 100 -9.634 -0.843 8.029 1.00 1.74 C ATOM 1533 O SER A 100 -9.689 0.150 8.755 1.00 2.07 O ATOM 1534 CB SER A 100 -7.206 -1.395 7.761 1.00 1.57 C ATOM 1535 OG SER A 100 -7.229 -1.118 6.371 1.00 2.19 O ATOM 0 H SER A 100 -8.291 -3.380 6.773 1.00 1.14 H new ATOM 0 HA SER A 100 -8.505 -2.130 9.308 1.00 1.47 H new ATOM 0 HB2 SER A 100 -6.940 -0.492 8.311 1.00 1.57 H new ATOM 0 HB3 SER A 100 -6.436 -2.137 7.975 1.00 1.57 H new ATOM 0 HG SER A 100 -7.136 -1.955 5.869 1.00 2.19 H new ATOM 1541 N HIS A 101 -10.479 -1.055 7.023 1.00 1.68 N ATOM 1542 CA HIS A 101 -11.552 -0.119 6.705 1.00 2.03 C ATOM 1543 C HIS A 101 -12.914 -0.767 6.951 1.00 2.09 C ATOM 1544 O HIS A 101 -13.949 -0.252 6.529 1.00 2.46 O ATOM 1545 CB HIS A 101 -11.435 0.334 5.246 1.00 2.13 C ATOM 1546 CG HIS A 101 -12.258 1.541 4.914 1.00 2.57 C ATOM 1547 ND1 HIS A 101 -11.887 2.824 5.259 1.00 3.26 N ATOM 1548 CD2 HIS A 101 -13.437 1.657 4.257 1.00 3.02 C ATOM 1549 CE1 HIS A 101 -12.803 3.676 4.830 1.00 3.83 C ATOM 1550 NE2 HIS A 101 -13.753 2.993 4.218 1.00 3.65 N ATOM 0 H HIS A 101 -10.440 -1.871 6.412 1.00 1.68 H new ATOM 0 HA HIS A 101 -11.462 0.752 7.354 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -10.389 0.548 5.026 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -11.736 -0.488 4.596 1.00 2.13 H new ATOM 0 HD1 HIS A 101 -11.039 3.076 5.766 1.00 3.26 H new ATOM 0 HD2 HIS A 101 -14.020 0.849 3.841 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -12.778 4.748 4.958 1.00 3.83 H new ATOM 1559 N LYS A 102 -12.903 -1.901 7.647 1.00 1.89 N ATOM 1560 CA LYS A 102 -14.131 -2.630 7.947 1.00 2.04 C ATOM 1561 C LYS A 102 -14.336 -2.776 9.455 1.00 2.27 C ATOM 1562 O LYS A 102 -15.467 -2.899 9.926 1.00 2.71 O ATOM 1563 CB LYS A 102 -14.089 -4.012 7.289 1.00 2.00 C ATOM 1564 CG LYS A 102 -15.321 -4.863 7.562 1.00 2.32 C ATOM 1565 CD LYS A 102 -15.193 -6.246 6.940 1.00 2.80 C ATOM 1566 CE LYS A 102 -15.148 -6.179 5.422 1.00 3.44 C ATOM 1567 NZ LYS A 102 -16.395 -5.596 4.856 1.00 4.27 N ATOM 0 H LYS A 102 -12.056 -2.335 8.014 1.00 1.89 H new ATOM 0 HA LYS A 102 -14.970 -2.061 7.546 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -13.977 -3.887 6.212 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -13.206 -4.545 7.642 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -15.467 -4.959 8.638 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -16.205 -4.364 7.164 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -14.288 -6.729 7.310 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -16.035 -6.864 7.252 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -14.293 -5.580 5.110 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -15.000 -7.181 5.018 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -16.875 -6.307 4.267 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -17.025 -5.306 5.631 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -16.158 -4.768 4.274 1.00 4.27 H new ATOM 1581 N THR A 103 -13.238 -2.759 10.205 1.00 2.56 N ATOM 1582 CA THR A 103 -13.300 -2.899 11.656 1.00 2.99 C ATOM 1583 C THR A 103 -13.863 -1.647 12.323 1.00 3.33 C ATOM 1584 O THR A 103 -13.181 -0.629 12.430 1.00 3.84 O ATOM 1585 CB THR A 103 -11.910 -3.196 12.249 1.00 3.28 C ATOM 1586 OG1 THR A 103 -10.986 -2.166 11.874 1.00 3.44 O ATOM 1587 CG2 THR A 103 -11.395 -4.545 11.770 1.00 3.09 C ATOM 0 H THR A 103 -12.295 -2.650 9.832 1.00 2.56 H new ATOM 0 HA THR A 103 -13.968 -3.737 11.856 1.00 2.99 H new ATOM 0 HB THR A 103 -12.001 -3.224 13.335 1.00 3.28 H new ATOM 0 HG1 THR A 103 -11.400 -1.289 12.013 1.00 3.44 H new ATOM 0 HG21 THR A 103 -10.412 -4.733 12.202 1.00 3.09 H new ATOM 0 HG22 THR A 103 -12.085 -5.329 12.082 1.00 3.09 H new ATOM 0 HG23 THR A 103 -11.319 -4.540 10.683 1.00 3.09 H new ATOM 1595 N LYS A 104 -15.114 -1.736 12.767 1.00 3.34 N ATOM 1596 CA LYS A 104 -15.778 -0.622 13.439 1.00 3.66 C ATOM 1597 C LYS A 104 -15.795 0.630 12.563 1.00 3.59 C ATOM 1598 O LYS A 104 -15.663 1.748 13.064 1.00 3.95 O ATOM 1599 CB LYS A 104 -15.087 -0.318 14.773 1.00 3.99 C ATOM 1600 CG LYS A 104 -15.232 -1.424 15.809 1.00 4.36 C ATOM 1601 CD LYS A 104 -14.276 -2.576 15.542 1.00 4.62 C ATOM 1602 CE LYS A 104 -14.406 -3.667 16.593 1.00 5.31 C ATOM 1603 NZ LYS A 104 -15.776 -4.249 16.624 1.00 5.72 N ATOM 0 H LYS A 104 -15.691 -2.572 12.673 1.00 3.34 H new ATOM 0 HA LYS A 104 -16.810 -0.916 13.627 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -14.027 -0.142 14.590 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -15.498 0.605 15.182 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -15.044 -1.018 16.803 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -16.257 -1.794 15.805 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -14.476 -2.995 14.556 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -13.252 -2.204 15.528 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -13.681 -4.455 16.389 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -14.164 -3.257 17.573 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -15.772 -5.115 17.200 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -16.436 -3.560 17.038 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -16.078 -4.479 15.656 1.00 5.72 H new ATOM 1617 N ILE A 105 -15.968 0.441 11.258 1.00 3.22 N ATOM 1618 CA ILE A 105 -16.004 1.563 10.324 1.00 3.25 C ATOM 1619 C ILE A 105 -17.172 1.438 9.346 1.00 3.33 C ATOM 1620 O ILE A 105 -18.259 1.958 9.598 1.00 3.64 O ATOM 1621 CB ILE A 105 -14.685 1.686 9.538 1.00 3.14 C ATOM 1622 CG1 ILE A 105 -13.516 1.866 10.502 1.00 3.41 C ATOM 1623 CG2 ILE A 105 -14.751 2.863 8.579 1.00 3.22 C ATOM 1624 CD1 ILE A 105 -12.169 1.604 9.870 1.00 3.54 C ATOM 0 H ILE A 105 -16.085 -0.475 10.824 1.00 3.22 H new ATOM 0 HA ILE A 105 -16.141 2.464 10.921 1.00 3.25 H new ATOM 0 HB ILE A 105 -14.535 0.772 8.963 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -13.533 2.882 10.895 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -13.648 1.194 11.350 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -13.812 2.938 8.030 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -15.571 2.714 7.877 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -14.917 3.782 9.142 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -11.384 1.750 10.612 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -12.133 0.579 9.501 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -12.016 2.293 9.040 1.00 3.54 H new ATOM 1636 N ARG A 106 -16.940 0.746 8.231 1.00 3.23 N ATOM 1637 CA ARG A 106 -17.971 0.552 7.211 1.00 3.52 C ATOM 1638 C ARG A 106 -18.530 1.889 6.725 1.00 3.99 C ATOM 1639 O ARG A 106 -19.583 1.938 6.091 1.00 4.49 O ATOM 1640 CB ARG A 106 -19.105 -0.319 7.757 1.00 3.66 C ATOM 1641 CG ARG A 106 -18.674 -1.731 8.124 1.00 4.02 C ATOM 1642 CD ARG A 106 -18.462 -2.597 6.889 1.00 4.54 C ATOM 1643 NE ARG A 106 -17.331 -2.145 6.080 1.00 4.89 N ATOM 1644 CZ ARG A 106 -17.154 -2.479 4.804 1.00 5.64 C ATOM 1645 NH1 ARG A 106 -18.032 -3.260 4.191 1.00 6.13 N ATOM 1646 NH2 ARG A 106 -16.097 -2.029 4.140 1.00 6.18 N ATOM 0 H ARG A 106 -16.045 0.309 8.010 1.00 3.23 H new ATOM 0 HA ARG A 106 -17.508 0.047 6.363 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -19.528 0.162 8.639 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -19.899 -0.374 7.012 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -17.751 -1.690 8.702 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -19.430 -2.187 8.762 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -18.296 -3.629 7.196 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -19.367 -2.587 6.282 1.00 4.54 H new ATOM 0 HE ARG A 106 -16.638 -1.539 6.519 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -18.847 -3.607 4.697 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -17.893 -3.514 3.213 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -15.419 -1.427 4.608 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -15.962 -2.285 3.162 1.00 6.18 H new ATOM 1660 N GLU A 107 -17.813 2.969 7.021 1.00 4.18 N ATOM 1661 CA GLU A 107 -18.234 4.305 6.615 1.00 5.05 C ATOM 1662 C GLU A 107 -17.031 5.149 6.204 1.00 5.51 C ATOM 1663 O GLU A 107 -16.191 5.495 7.036 1.00 5.80 O ATOM 1664 CB GLU A 107 -18.990 4.997 7.752 1.00 5.50 C ATOM 1665 CG GLU A 107 -20.293 4.309 8.127 1.00 6.10 C ATOM 1666 CD GLU A 107 -20.998 4.986 9.286 1.00 6.86 C ATOM 1667 OE1 GLU A 107 -20.643 4.695 10.448 1.00 7.22 O ATOM 1668 OE2 GLU A 107 -21.904 5.807 9.032 1.00 7.31 O ATOM 0 H GLU A 107 -16.936 2.944 7.542 1.00 4.18 H new ATOM 0 HA GLU A 107 -18.899 4.203 5.757 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -18.346 5.041 8.631 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -19.203 6.026 7.462 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -20.955 4.297 7.261 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -20.089 3.270 8.387 1.00 6.10 H new ATOM 1675 N SER A 108 -16.954 5.476 4.918 1.00 5.97 N ATOM 1676 CA SER A 108 -15.853 6.279 4.398 1.00 6.78 C ATOM 1677 C SER A 108 -16.192 7.766 4.448 1.00 7.58 C ATOM 1678 O SER A 108 -15.839 8.418 5.453 1.00 8.07 O ATOM 1679 CB SER A 108 -15.525 5.864 2.962 1.00 7.25 C ATOM 1680 OG SER A 108 -16.663 5.976 2.123 1.00 7.76 O ATOM 0 H SER A 108 -17.641 5.197 4.217 1.00 5.97 H new ATOM 0 HA SER A 108 -14.980 6.104 5.027 1.00 6.78 H new ATOM 0 HB2 SER A 108 -14.721 6.490 2.574 1.00 7.25 H new ATOM 0 HB3 SER A 108 -15.162 4.836 2.952 1.00 7.25 H new ATOM 0 HG SER A 108 -16.425 5.706 1.211 1.00 7.76 H new TER 1686 SER A 108