USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 HIS : no HD1:sc= -0.0762 X(o=-6.6,f=-6.6) USER MOD Set 1.2: A 13 ASN : amide:sc= -6.55! C(o=-6.6!,f=-14!) USER MOD Single : A 11 CYS SG : rot -120:sc= -4.1! USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= -0.103 (180deg=-0.689) USER MOD Single : A 20 GLN : amide:sc= -4.16! C(o=-4.2!,f=-6.8!) USER MOD Single : A 21 MET CE :methyl -152:sc= -3.63 (180deg=-8.59!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.0949 (180deg=-0.698) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.426 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.794 F(o=-2.6!,f=-0.79) USER MOD Single : A 82 MET CE :methyl -144:sc= 0 (180deg=-0.0219) USER MOD Single : A 84 THR OG1 : rot 135:sc= 1.05 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -13.7! C(o=-14!,f=-16!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -110:sc= -2.29! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -9.73! C(o=-11!,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.487 7.435 -6.315 1.00 72.32 N ATOM 54 CA GLU A 5 1.521 7.393 -7.407 1.00 61.10 C ATOM 55 C GLU A 5 1.293 8.786 -7.986 1.00 1.45 C ATOM 56 O GLU A 5 2.198 9.620 -8.000 1.00 52.01 O ATOM 57 CB GLU A 5 0.194 6.807 -6.921 1.00 73.02 C ATOM 58 CG GLU A 5 0.357 5.693 -5.901 1.00 2.34 C ATOM 59 CD GLU A 5 0.744 4.372 -6.536 1.00 33.11 C ATOM 60 OE1 GLU A 5 1.815 4.311 -7.174 1.00 23.52 O ATOM 61 OE2 GLU A 5 -0.026 3.399 -6.394 1.00 72.44 O ATOM 0 HA GLU A 5 1.926 6.754 -8.192 1.00 61.10 H new ATOM 0 HB2 GLU A 5 -0.407 7.604 -6.483 1.00 73.02 H new ATOM 0 HB3 GLU A 5 -0.360 6.425 -7.778 1.00 73.02 H new ATOM 0 HG2 GLU A 5 1.118 5.979 -5.175 1.00 2.34 H new ATOM 0 HG3 GLU A 5 -0.577 5.568 -5.353 1.00 2.34 H new ATOM 68 N GLY A 6 0.076 9.031 -8.462 1.00 43.25 N ATOM 69 CA GLY A 6 -0.249 10.324 -9.036 1.00 74.23 C ATOM 70 C GLY A 6 -0.554 11.367 -7.980 1.00 4.23 C ATOM 71 O GLY A 6 -1.258 12.342 -8.244 1.00 33.54 O ATOM 0 H GLY A 6 -0.690 8.358 -8.460 1.00 43.25 H new ATOM 0 HA2 GLY A 6 0.585 10.666 -9.649 1.00 74.23 H new ATOM 0 HA3 GLY A 6 -1.109 10.219 -9.697 1.00 74.23 H new ATOM 75 N VAL A 7 -0.022 11.163 -6.778 1.00 55.04 N ATOM 76 CA VAL A 7 -0.241 12.094 -5.678 1.00 35.45 C ATOM 77 C VAL A 7 1.026 12.880 -5.363 1.00 12.34 C ATOM 78 O VAL A 7 2.075 12.655 -5.965 1.00 64.22 O ATOM 79 CB VAL A 7 -0.706 11.359 -4.406 1.00 10.22 C ATOM 80 CG1 VAL A 7 -1.610 10.190 -4.764 1.00 73.24 C ATOM 81 CG2 VAL A 7 0.492 10.888 -3.595 1.00 41.33 C ATOM 0 H VAL A 7 0.563 10.362 -6.542 1.00 55.04 H new ATOM 0 HA VAL A 7 -1.023 12.784 -5.997 1.00 35.45 H new ATOM 0 HB VAL A 7 -1.279 12.056 -3.794 1.00 10.22 H new ATOM 0 HG11 VAL A 7 -1.928 9.684 -3.853 1.00 73.24 H new ATOM 0 HG12 VAL A 7 -2.486 10.558 -5.299 1.00 73.24 H new ATOM 0 HG13 VAL A 7 -1.065 9.490 -5.397 1.00 73.24 H new ATOM 0 HG21 VAL A 7 0.145 10.371 -2.700 1.00 41.33 H new ATOM 0 HG22 VAL A 7 1.094 10.207 -4.197 1.00 41.33 H new ATOM 0 HG23 VAL A 7 1.096 11.748 -3.306 1.00 41.33 H new ATOM 91 N VAL A 8 0.921 13.805 -4.413 1.00 42.15 N ATOM 92 CA VAL A 8 2.059 14.625 -4.016 1.00 45.24 C ATOM 93 C VAL A 8 3.274 13.761 -3.695 1.00 52.21 C ATOM 94 O VAL A 8 3.403 13.242 -2.586 1.00 13.11 O ATOM 95 CB VAL A 8 1.724 15.496 -2.791 1.00 33.31 C ATOM 96 CG1 VAL A 8 0.528 16.389 -3.082 1.00 15.01 C ATOM 97 CG2 VAL A 8 1.464 14.622 -1.573 1.00 14.42 C ATOM 0 H VAL A 8 0.060 14.005 -3.905 1.00 42.15 H new ATOM 0 HA VAL A 8 2.291 15.274 -4.861 1.00 45.24 H new ATOM 0 HB VAL A 8 2.580 16.136 -2.575 1.00 33.31 H new ATOM 0 HG11 VAL A 8 0.306 16.997 -2.205 1.00 15.01 H new ATOM 0 HG12 VAL A 8 0.756 17.039 -3.926 1.00 15.01 H new ATOM 0 HG13 VAL A 8 -0.337 15.771 -3.324 1.00 15.01 H new ATOM 0 HG21 VAL A 8 1.229 15.253 -0.716 1.00 14.42 H new ATOM 0 HG22 VAL A 8 0.625 13.957 -1.775 1.00 14.42 H new ATOM 0 HG23 VAL A 8 2.352 14.029 -1.354 1.00 14.42 H new ATOM 107 N ILE A 9 4.162 13.612 -4.672 1.00 72.21 N ATOM 108 CA ILE A 9 5.367 12.812 -4.492 1.00 60.15 C ATOM 109 C ILE A 9 6.009 13.082 -3.136 1.00 43.31 C ATOM 110 O ILE A 9 5.646 14.033 -2.444 1.00 50.15 O ATOM 111 CB ILE A 9 6.399 13.092 -5.601 1.00 73.53 C ATOM 112 CG1 ILE A 9 5.749 12.951 -6.980 1.00 1.55 C ATOM 113 CG2 ILE A 9 7.585 12.148 -5.471 1.00 3.44 C ATOM 114 CD1 ILE A 9 5.072 11.616 -7.196 1.00 3.14 C ATOM 0 H ILE A 9 4.070 14.035 -5.596 1.00 72.21 H new ATOM 0 HA ILE A 9 5.063 11.767 -4.545 1.00 60.15 H new ATOM 0 HB ILE A 9 6.759 14.115 -5.492 1.00 73.53 H new ATOM 0 HG12 ILE A 9 5.015 13.746 -7.110 1.00 1.55 H new ATOM 0 HG13 ILE A 9 6.510 13.091 -7.747 1.00 1.55 H new ATOM 0 HG21 ILE A 9 8.306 12.358 -6.261 1.00 3.44 H new ATOM 0 HG22 ILE A 9 8.059 12.291 -4.500 1.00 3.44 H new ATOM 0 HG23 ILE A 9 7.241 11.117 -5.558 1.00 3.44 H new ATOM 0 HD11 ILE A 9 4.634 11.587 -8.194 1.00 3.14 H new ATOM 0 HD12 ILE A 9 5.806 10.816 -7.099 1.00 3.14 H new ATOM 0 HD13 ILE A 9 4.288 11.481 -6.451 1.00 3.14 H new ATOM 126 N ALA A 10 6.967 12.240 -2.763 1.00 3.32 N ATOM 127 CA ALA A 10 7.663 12.391 -1.491 1.00 24.50 C ATOM 128 C ALA A 10 9.165 12.187 -1.660 1.00 22.12 C ATOM 129 O ALA A 10 9.756 11.305 -1.035 1.00 74.21 O ATOM 130 CB ALA A 10 7.108 11.412 -0.467 1.00 0.35 C ATOM 0 H ALA A 10 7.279 11.447 -3.323 1.00 3.32 H new ATOM 0 HA ALA A 10 7.498 13.407 -1.133 1.00 24.50 H new ATOM 0 HB1 ALA A 10 7.637 11.535 0.478 1.00 0.35 H new ATOM 0 HB2 ALA A 10 6.046 11.606 -0.317 1.00 0.35 H new ATOM 0 HB3 ALA A 10 7.243 10.392 -0.828 1.00 0.35 H new ATOM 136 N CYS A 11 9.777 13.007 -2.507 1.00 70.42 N ATOM 137 CA CYS A 11 11.211 12.915 -2.759 1.00 52.02 C ATOM 138 C CYS A 11 11.990 12.855 -1.450 1.00 22.34 C ATOM 139 O CYS A 11 11.470 13.200 -0.388 1.00 54.45 O ATOM 140 CB CYS A 11 11.681 14.109 -3.592 1.00 34.31 C ATOM 141 SG CYS A 11 13.427 14.521 -3.371 1.00 42.11 S ATOM 0 H CYS A 11 9.303 13.743 -3.031 1.00 70.42 H new ATOM 0 HA CYS A 11 11.399 11.997 -3.315 1.00 52.02 H new ATOM 0 HB2 CYS A 11 11.499 13.897 -4.646 1.00 34.31 H new ATOM 0 HB3 CYS A 11 11.078 14.979 -3.333 1.00 34.31 H new ATOM 0 HG CYS A 11 13.533 15.737 -2.924 1.00 42.11 H new ATOM 147 N HIS A 12 13.241 12.412 -1.531 1.00 71.31 N ATOM 148 CA HIS A 12 14.092 12.305 -0.352 1.00 24.23 C ATOM 149 C HIS A 12 15.538 12.020 -0.749 1.00 52.52 C ATOM 150 O HIS A 12 16.259 11.319 -0.042 1.00 23.31 O ATOM 151 CB HIS A 12 13.580 11.202 0.575 1.00 12.12 C ATOM 152 CG HIS A 12 13.638 9.834 -0.032 1.00 2.21 C ATOM 153 ND1 HIS A 12 14.531 8.867 0.378 1.00 64.45 N ATOM 154 CD2 HIS A 12 12.906 9.273 -1.023 1.00 1.24 C ATOM 155 CE1 HIS A 12 14.347 7.770 -0.336 1.00 43.43 C ATOM 156 NE2 HIS A 12 13.366 7.991 -1.193 1.00 23.32 N ATOM 0 H HIS A 12 13.687 12.121 -2.401 1.00 71.31 H new ATOM 0 HA HIS A 12 14.059 13.258 0.176 1.00 24.23 H new ATOM 0 HB2 HIS A 12 14.168 11.208 1.493 1.00 12.12 H new ATOM 0 HB3 HIS A 12 12.550 11.423 0.855 1.00 12.12 H new ATOM 0 HD2 HIS A 12 12.109 9.746 -1.577 1.00 1.24 H new ATOM 0 HE1 HIS A 12 14.904 6.850 -0.236 1.00 43.43 H new ATOM 0 HE2 HIS A 12 13.008 7.318 -1.871 1.00 23.32 H new ATOM 164 N ASN A 13 15.953 12.570 -1.886 1.00 11.01 N ATOM 165 CA ASN A 13 17.312 12.374 -2.378 1.00 53.10 C ATOM 166 C ASN A 13 17.564 13.214 -3.627 1.00 24.25 C ATOM 167 O ASN A 13 18.419 12.883 -4.448 1.00 45.14 O ATOM 168 CB ASN A 13 17.557 10.896 -2.686 1.00 33.40 C ATOM 169 CG ASN A 13 16.344 10.225 -3.302 1.00 30.44 C ATOM 170 OD1 ASN A 13 15.263 10.208 -2.712 1.00 4.51 O ATOM 171 ND2 ASN A 13 16.518 9.666 -4.494 1.00 4.23 N ATOM 0 H ASN A 13 15.368 13.154 -2.483 1.00 11.01 H new ATOM 0 HA ASN A 13 18.004 12.695 -1.599 1.00 53.10 H new ATOM 0 HB2 ASN A 13 18.404 10.805 -3.366 1.00 33.40 H new ATOM 0 HB3 ASN A 13 17.829 10.376 -1.767 1.00 33.40 H new ATOM 0 HD21 ASN A 13 15.738 9.199 -4.957 1.00 4.23 H new ATOM 0 HD22 ASN A 13 17.431 9.704 -4.947 1.00 4.23 H new ATOM 178 N LYS A 14 16.815 14.303 -3.762 1.00 61.42 N ATOM 179 CA LYS A 14 16.958 15.192 -4.909 1.00 13.24 C ATOM 180 C LYS A 14 16.588 14.475 -6.203 1.00 61.01 C ATOM 181 O LYS A 14 15.560 14.767 -6.814 1.00 11.11 O ATOM 182 CB LYS A 14 18.392 15.719 -4.996 1.00 71.33 C ATOM 183 CG LYS A 14 18.751 16.280 -6.361 1.00 64.12 C ATOM 184 CD LYS A 14 19.660 17.492 -6.244 1.00 41.10 C ATOM 185 CE LYS A 14 18.949 18.659 -5.576 1.00 23.14 C ATOM 186 NZ LYS A 14 19.135 19.928 -6.332 1.00 11.21 N ATOM 0 H LYS A 14 16.103 14.591 -3.091 1.00 61.42 H new ATOM 0 HA LYS A 14 16.277 16.032 -4.773 1.00 13.24 H new ATOM 0 HB2 LYS A 14 18.531 16.496 -4.245 1.00 71.33 H new ATOM 0 HB3 LYS A 14 19.082 14.912 -4.751 1.00 71.33 H new ATOM 0 HG2 LYS A 14 19.245 15.510 -6.954 1.00 64.12 H new ATOM 0 HG3 LYS A 14 17.841 16.557 -6.893 1.00 64.12 H new ATOM 0 HD2 LYS A 14 20.548 17.228 -5.669 1.00 41.10 H new ATOM 0 HD3 LYS A 14 19.999 17.791 -7.236 1.00 41.10 H new ATOM 0 HE2 LYS A 14 17.885 18.437 -5.495 1.00 23.14 H new ATOM 0 HE3 LYS A 14 19.327 18.782 -4.561 1.00 23.14 H new ATOM 0 HZ1 LYS A 14 19.197 20.724 -5.665 1.00 11.21 H new ATOM 0 HZ2 LYS A 14 20.011 19.875 -6.889 1.00 11.21 H new ATOM 0 HZ3 LYS A 14 18.327 20.073 -6.971 1.00 11.21 H new ATOM 200 N ASP A 15 17.432 13.535 -6.615 1.00 12.12 N ATOM 201 CA ASP A 15 17.192 12.774 -7.836 1.00 2.14 C ATOM 202 C ASP A 15 15.698 12.653 -8.116 1.00 34.01 C ATOM 203 O ASP A 15 15.259 12.780 -9.259 1.00 30.15 O ATOM 204 CB ASP A 15 17.818 11.383 -7.726 1.00 34.34 C ATOM 205 CG ASP A 15 18.646 11.022 -8.943 1.00 52.42 C ATOM 206 OD1 ASP A 15 19.795 11.501 -9.041 1.00 71.04 O ATOM 207 OD2 ASP A 15 18.145 10.262 -9.798 1.00 53.45 O ATOM 0 H ASP A 15 18.288 13.282 -6.122 1.00 12.12 H new ATOM 0 HA ASP A 15 17.656 13.308 -8.665 1.00 2.14 H new ATOM 0 HB2 ASP A 15 18.447 11.340 -6.837 1.00 34.34 H new ATOM 0 HB3 ASP A 15 17.029 10.642 -7.594 1.00 34.34 H new ATOM 212 N GLU A 16 14.922 12.406 -7.065 1.00 74.32 N ATOM 213 CA GLU A 16 13.476 12.265 -7.200 1.00 4.41 C ATOM 214 C GLU A 16 12.804 13.632 -7.295 1.00 72.11 C ATOM 215 O GLU A 16 11.911 13.841 -8.117 1.00 33.35 O ATOM 216 CB GLU A 16 12.905 11.485 -6.014 1.00 72.14 C ATOM 217 CG GLU A 16 13.858 10.441 -5.456 1.00 53.25 C ATOM 218 CD GLU A 16 13.145 9.180 -5.009 1.00 74.24 C ATOM 219 OE1 GLU A 16 12.017 9.291 -4.485 1.00 13.13 O ATOM 220 OE2 GLU A 16 13.714 8.082 -5.184 1.00 12.32 O ATOM 0 H GLU A 16 15.269 12.299 -6.112 1.00 74.32 H new ATOM 0 HA GLU A 16 13.274 11.715 -8.119 1.00 4.41 H new ATOM 0 HB2 GLU A 16 12.643 12.186 -5.221 1.00 72.14 H new ATOM 0 HB3 GLU A 16 11.982 10.994 -6.323 1.00 72.14 H new ATOM 0 HG2 GLU A 16 14.597 10.186 -6.216 1.00 53.25 H new ATOM 0 HG3 GLU A 16 14.402 10.865 -4.612 1.00 53.25 H new ATOM 227 N PHE A 17 13.239 14.559 -6.449 1.00 11.24 N ATOM 228 CA PHE A 17 12.679 15.906 -6.435 1.00 74.54 C ATOM 229 C PHE A 17 12.694 16.515 -7.834 1.00 60.22 C ATOM 230 O PHE A 17 11.751 17.197 -8.236 1.00 62.24 O ATOM 231 CB PHE A 17 13.462 16.797 -5.470 1.00 13.33 C ATOM 232 CG PHE A 17 13.945 18.076 -6.093 1.00 21.35 C ATOM 233 CD1 PHE A 17 14.967 18.063 -7.028 1.00 0.00 C ATOM 234 CD2 PHE A 17 13.378 19.290 -5.742 1.00 12.30 C ATOM 235 CE1 PHE A 17 15.414 19.238 -7.603 1.00 70.34 C ATOM 236 CE2 PHE A 17 13.820 20.468 -6.314 1.00 63.02 C ATOM 237 CZ PHE A 17 14.840 20.442 -7.245 1.00 64.21 C ATOM 0 H PHE A 17 13.978 14.403 -5.764 1.00 11.24 H new ATOM 0 HA PHE A 17 11.645 15.839 -6.098 1.00 74.54 H new ATOM 0 HB2 PHE A 17 12.830 17.035 -4.614 1.00 13.33 H new ATOM 0 HB3 PHE A 17 14.319 16.241 -5.089 1.00 13.33 H new ATOM 0 HD1 PHE A 17 15.420 17.124 -7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 17 12.581 19.316 -5.013 1.00 12.30 H new ATOM 0 HE1 PHE A 17 16.211 19.214 -8.331 1.00 70.34 H new ATOM 0 HE2 PHE A 17 13.368 21.408 -6.033 1.00 63.02 H new ATOM 0 HZ PHE A 17 15.188 21.361 -7.692 1.00 64.21 H new ATOM 247 N ASP A 18 13.771 16.264 -8.570 1.00 42.21 N ATOM 248 CA ASP A 18 13.911 16.787 -9.924 1.00 74.13 C ATOM 249 C ASP A 18 12.886 16.152 -10.860 1.00 4.41 C ATOM 250 O ASP A 18 12.247 16.841 -11.655 1.00 30.33 O ATOM 251 CB ASP A 18 15.325 16.533 -10.449 1.00 12.33 C ATOM 252 CG ASP A 18 16.168 17.793 -10.472 1.00 63.10 C ATOM 253 OD1 ASP A 18 15.589 18.892 -10.593 1.00 52.21 O ATOM 254 OD2 ASP A 18 17.408 17.679 -10.370 1.00 50.20 O ATOM 0 H ASP A 18 14.560 15.701 -8.252 1.00 42.21 H new ATOM 0 HA ASP A 18 13.732 17.862 -9.892 1.00 74.13 H new ATOM 0 HB2 ASP A 18 15.812 15.784 -9.825 1.00 12.33 H new ATOM 0 HB3 ASP A 18 15.267 16.119 -11.456 1.00 12.33 H new ATOM 259 N ALA A 19 12.737 14.836 -10.760 1.00 22.50 N ATOM 260 CA ALA A 19 11.790 14.108 -11.596 1.00 44.43 C ATOM 261 C ALA A 19 10.486 14.883 -11.751 1.00 2.35 C ATOM 262 O ALA A 19 9.757 14.700 -12.724 1.00 73.35 O ATOM 263 CB ALA A 19 11.521 12.729 -11.012 1.00 43.34 C ATOM 0 H ALA A 19 13.260 14.251 -10.108 1.00 22.50 H new ATOM 0 HA ALA A 19 12.232 13.991 -12.585 1.00 44.43 H new ATOM 0 HB1 ALA A 19 10.812 12.197 -11.647 1.00 43.34 H new ATOM 0 HB2 ALA A 19 12.454 12.168 -10.960 1.00 43.34 H new ATOM 0 HB3 ALA A 19 11.104 12.833 -10.010 1.00 43.34 H new ATOM 269 N GLN A 20 10.200 15.749 -10.783 1.00 74.33 N ATOM 270 CA GLN A 20 8.982 16.550 -10.812 1.00 52.12 C ATOM 271 C GLN A 20 9.276 17.971 -11.283 1.00 70.53 C ATOM 272 O GLN A 20 8.705 18.439 -12.268 1.00 21.22 O ATOM 273 CB GLN A 20 8.335 16.583 -9.426 1.00 51.45 C ATOM 274 CG GLN A 20 7.523 15.339 -9.104 1.00 53.52 C ATOM 275 CD GLN A 20 8.383 14.098 -8.973 1.00 43.32 C ATOM 276 OE1 GLN A 20 9.384 14.096 -8.256 1.00 65.24 O ATOM 277 NE2 GLN A 20 7.997 13.034 -9.667 1.00 30.12 N ATOM 0 H GLN A 20 10.794 15.913 -9.971 1.00 74.33 H new ATOM 0 HA GLN A 20 8.290 16.089 -11.517 1.00 52.12 H new ATOM 0 HB2 GLN A 20 9.114 16.703 -8.673 1.00 51.45 H new ATOM 0 HB3 GLN A 20 7.688 17.457 -9.357 1.00 51.45 H new ATOM 0 HG2 GLN A 20 6.976 15.497 -8.174 1.00 53.52 H new ATOM 0 HG3 GLN A 20 6.781 15.181 -9.887 1.00 53.52 H new ATOM 0 HE21 GLN A 20 7.160 13.081 -10.249 1.00 30.12 H new ATOM 0 HE22 GLN A 20 8.537 12.170 -9.618 1.00 30.12 H new ATOM 286 N MET A 21 10.170 18.651 -10.573 1.00 71.13 N ATOM 287 CA MET A 21 10.540 20.018 -10.920 1.00 2.20 C ATOM 288 C MET A 21 10.792 20.150 -12.419 1.00 22.24 C ATOM 289 O MET A 21 10.736 21.247 -12.974 1.00 44.35 O ATOM 290 CB MET A 21 11.787 20.445 -10.142 1.00 35.40 C ATOM 291 CG MET A 21 11.553 21.634 -9.224 1.00 72.41 C ATOM 292 SD MET A 21 11.217 21.142 -7.522 1.00 64.21 S ATOM 293 CE MET A 21 9.720 20.182 -7.736 1.00 24.12 C ATOM 0 H MET A 21 10.651 18.278 -9.755 1.00 71.13 H new ATOM 0 HA MET A 21 9.710 20.672 -10.650 1.00 2.20 H new ATOM 0 HB2 MET A 21 12.141 19.602 -9.548 1.00 35.40 H new ATOM 0 HB3 MET A 21 12.579 20.692 -10.849 1.00 35.40 H new ATOM 0 HG2 MET A 21 12.429 22.282 -9.245 1.00 72.41 H new ATOM 0 HG3 MET A 21 10.715 22.220 -9.601 1.00 72.41 H new ATOM 0 HE1 MET A 21 9.125 20.227 -6.824 1.00 24.12 H new ATOM 0 HE2 MET A 21 9.142 20.589 -8.566 1.00 24.12 H new ATOM 0 HE3 MET A 21 9.980 19.145 -7.949 1.00 24.12 H new ATOM 303 N THR A 22 11.070 19.024 -13.069 1.00 23.13 N ATOM 304 CA THR A 22 11.332 19.014 -14.502 1.00 63.13 C ATOM 305 C THR A 22 10.071 18.677 -15.289 1.00 41.25 C ATOM 306 O THR A 22 9.922 19.077 -16.444 1.00 60.14 O ATOM 307 CB THR A 22 12.435 18.002 -14.865 1.00 24.33 C ATOM 308 OG1 THR A 22 13.708 18.657 -14.903 1.00 22.24 O ATOM 309 CG2 THR A 22 12.153 17.353 -16.211 1.00 62.33 C ATOM 0 H THR A 22 11.119 18.107 -12.625 1.00 23.13 H new ATOM 0 HA THR A 22 11.667 20.016 -14.769 1.00 63.13 H new ATOM 0 HB THR A 22 12.449 17.225 -14.101 1.00 24.33 H new ATOM 0 HG1 THR A 22 14.404 18.006 -15.133 1.00 22.24 H new ATOM 0 HG21 THR A 22 12.946 16.642 -16.446 1.00 62.33 H new ATOM 0 HG22 THR A 22 11.197 16.830 -16.170 1.00 62.33 H new ATOM 0 HG23 THR A 22 12.114 18.121 -16.984 1.00 62.33 H new ATOM 317 N LYS A 23 9.164 17.940 -14.658 1.00 10.25 N ATOM 318 CA LYS A 23 7.913 17.551 -15.298 1.00 21.35 C ATOM 319 C LYS A 23 6.882 18.671 -15.203 1.00 70.24 C ATOM 320 O LYS A 23 5.679 18.429 -15.294 1.00 32.32 O ATOM 321 CB LYS A 23 7.360 16.279 -14.651 1.00 61.52 C ATOM 322 CG LYS A 23 7.787 15.003 -15.356 1.00 64.13 C ATOM 323 CD LYS A 23 7.526 13.777 -14.498 1.00 22.23 C ATOM 324 CE LYS A 23 8.639 12.749 -14.640 1.00 11.52 C ATOM 325 NZ LYS A 23 8.103 11.380 -14.876 1.00 52.43 N ATOM 0 H LYS A 23 9.272 17.600 -13.703 1.00 10.25 H new ATOM 0 HA LYS A 23 8.117 17.357 -16.351 1.00 21.35 H new ATOM 0 HB2 LYS A 23 7.688 16.238 -13.612 1.00 61.52 H new ATOM 0 HB3 LYS A 23 6.271 16.331 -14.640 1.00 61.52 H new ATOM 0 HG2 LYS A 23 7.248 14.910 -16.299 1.00 64.13 H new ATOM 0 HG3 LYS A 23 8.848 15.059 -15.599 1.00 64.13 H new ATOM 0 HD2 LYS A 23 7.436 14.075 -13.453 1.00 22.23 H new ATOM 0 HD3 LYS A 23 6.575 13.327 -14.784 1.00 22.23 H new ATOM 0 HE2 LYS A 23 9.291 13.031 -15.467 1.00 11.52 H new ATOM 0 HE3 LYS A 23 9.251 12.749 -13.738 1.00 11.52 H new ATOM 0 HZ1 LYS A 23 8.892 10.709 -14.967 1.00 52.43 H new ATOM 0 HZ2 LYS A 23 7.501 11.100 -14.075 1.00 52.43 H new ATOM 0 HZ3 LYS A 23 7.540 11.373 -15.751 1.00 52.43 H new ATOM 339 N ALA A 24 7.362 19.897 -15.023 1.00 33.01 N ATOM 340 CA ALA A 24 6.482 21.054 -14.920 1.00 55.34 C ATOM 341 C ALA A 24 6.794 22.079 -16.006 1.00 14.24 C ATOM 342 O ALA A 24 5.891 22.595 -16.665 1.00 41.30 O ATOM 343 CB ALA A 24 6.602 21.688 -13.543 1.00 13.44 C ATOM 0 H ALA A 24 8.356 20.114 -14.946 1.00 33.01 H new ATOM 0 HA ALA A 24 5.456 20.713 -15.062 1.00 55.34 H new ATOM 0 HB1 ALA A 24 5.939 22.551 -13.481 1.00 13.44 H new ATOM 0 HB2 ALA A 24 6.322 20.960 -12.782 1.00 13.44 H new ATOM 0 HB3 ALA A 24 7.631 22.008 -13.378 1.00 13.44 H new ATOM 349 N LYS A 25 8.077 22.371 -16.186 1.00 24.23 N ATOM 350 CA LYS A 25 8.510 23.334 -17.191 1.00 72.04 C ATOM 351 C LYS A 25 8.231 22.814 -18.598 1.00 50.10 C ATOM 352 O LYS A 25 7.840 23.574 -19.483 1.00 73.24 O ATOM 353 CB LYS A 25 10.002 23.632 -17.033 1.00 5.20 C ATOM 354 CG LYS A 25 10.874 22.388 -17.023 1.00 54.02 C ATOM 355 CD LYS A 25 11.788 22.357 -15.810 1.00 32.11 C ATOM 356 CE LYS A 25 12.646 23.610 -15.726 1.00 71.13 C ATOM 357 NZ LYS A 25 14.004 23.391 -16.297 1.00 11.32 N ATOM 0 H LYS A 25 8.836 21.954 -15.648 1.00 24.23 H new ATOM 0 HA LYS A 25 7.945 24.254 -17.043 1.00 72.04 H new ATOM 0 HB2 LYS A 25 10.322 24.283 -17.847 1.00 5.20 H new ATOM 0 HB3 LYS A 25 10.158 24.182 -16.105 1.00 5.20 H new ATOM 0 HG2 LYS A 25 10.242 21.500 -17.026 1.00 54.02 H new ATOM 0 HG3 LYS A 25 11.474 22.356 -17.933 1.00 54.02 H new ATOM 0 HD2 LYS A 25 11.189 22.264 -14.904 1.00 32.11 H new ATOM 0 HD3 LYS A 25 12.430 21.478 -15.859 1.00 32.11 H new ATOM 0 HE2 LYS A 25 12.154 24.423 -16.260 1.00 71.13 H new ATOM 0 HE3 LYS A 25 12.735 23.920 -14.685 1.00 71.13 H new ATOM 0 HZ1 LYS A 25 14.558 24.268 -16.221 1.00 11.32 H new ATOM 0 HZ2 LYS A 25 14.483 22.632 -15.772 1.00 11.32 H new ATOM 0 HZ3 LYS A 25 13.920 23.120 -17.298 1.00 11.32 H new ATOM 371 N GLU A 26 8.434 21.515 -18.795 1.00 52.22 N ATOM 372 CA GLU A 26 8.203 20.895 -20.095 1.00 0.33 C ATOM 373 C GLU A 26 6.761 20.413 -20.219 1.00 55.42 C ATOM 374 O GLU A 26 6.130 20.572 -21.264 1.00 60.20 O ATOM 375 CB GLU A 26 9.164 19.723 -20.303 1.00 72.21 C ATOM 376 CG GLU A 26 9.548 19.014 -19.015 1.00 51.30 C ATOM 377 CD GLU A 26 9.980 17.579 -19.245 1.00 42.21 C ATOM 378 OE1 GLU A 26 9.179 16.800 -19.801 1.00 60.44 O ATOM 379 OE2 GLU A 26 11.121 17.236 -18.869 1.00 14.23 O ATOM 0 H GLU A 26 8.758 20.872 -18.072 1.00 52.22 H new ATOM 0 HA GLU A 26 8.384 21.645 -20.865 1.00 0.33 H new ATOM 0 HB2 GLU A 26 8.705 19.003 -20.981 1.00 72.21 H new ATOM 0 HB3 GLU A 26 10.068 20.088 -20.790 1.00 72.21 H new ATOM 0 HG2 GLU A 26 10.358 19.560 -18.532 1.00 51.30 H new ATOM 0 HG3 GLU A 26 8.700 19.029 -18.330 1.00 51.30 H new ATOM 386 N ALA A 27 6.245 19.824 -19.145 1.00 61.23 N ATOM 387 CA ALA A 27 4.877 19.320 -19.133 1.00 25.10 C ATOM 388 C ALA A 27 3.873 20.452 -19.320 1.00 4.30 C ATOM 389 O ALA A 27 2.802 20.257 -19.891 1.00 74.31 O ATOM 390 CB ALA A 27 4.601 18.576 -17.835 1.00 31.30 C ATOM 0 H ALA A 27 6.754 19.684 -18.272 1.00 61.23 H new ATOM 0 HA ALA A 27 4.763 18.628 -19.967 1.00 25.10 H new ATOM 0 HB1 ALA A 27 3.576 18.205 -17.839 1.00 31.30 H new ATOM 0 HB2 ALA A 27 5.290 17.737 -17.743 1.00 31.30 H new ATOM 0 HB3 ALA A 27 4.738 19.253 -16.992 1.00 31.30 H new ATOM 396 N GLY A 28 4.228 21.638 -18.834 1.00 0.03 N ATOM 397 CA GLY A 28 3.346 22.784 -18.957 1.00 3.03 C ATOM 398 C GLY A 28 2.421 22.934 -17.766 1.00 34.13 C ATOM 399 O GLY A 28 1.268 23.342 -17.912 1.00 63.15 O ATOM 0 H GLY A 28 5.110 21.825 -18.358 1.00 0.03 H new ATOM 0 HA2 GLY A 28 3.944 23.689 -19.065 1.00 3.03 H new ATOM 0 HA3 GLY A 28 2.751 22.685 -19.865 1.00 3.03 H new ATOM 403 N LYS A 29 2.924 22.602 -16.582 1.00 30.42 N ATOM 404 CA LYS A 29 2.135 22.700 -15.359 1.00 41.55 C ATOM 405 C LYS A 29 2.957 23.312 -14.230 1.00 10.45 C ATOM 406 O LYS A 29 4.186 23.237 -14.231 1.00 52.31 O ATOM 407 CB LYS A 29 1.626 21.319 -14.944 1.00 30.55 C ATOM 408 CG LYS A 29 2.721 20.392 -14.443 1.00 53.22 C ATOM 409 CD LYS A 29 2.215 18.969 -14.279 1.00 31.21 C ATOM 410 CE LYS A 29 1.397 18.525 -15.482 1.00 44.44 C ATOM 411 NZ LYS A 29 1.423 17.047 -15.656 1.00 62.41 N ATOM 0 H LYS A 29 3.876 22.262 -16.443 1.00 30.42 H new ATOM 0 HA LYS A 29 1.282 23.349 -15.557 1.00 41.55 H new ATOM 0 HB2 LYS A 29 0.876 21.437 -14.162 1.00 30.55 H new ATOM 0 HB3 LYS A 29 1.129 20.854 -15.795 1.00 30.55 H new ATOM 0 HG2 LYS A 29 3.557 20.404 -15.142 1.00 53.22 H new ATOM 0 HG3 LYS A 29 3.099 20.757 -13.488 1.00 53.22 H new ATOM 0 HD2 LYS A 29 3.061 18.295 -14.144 1.00 31.21 H new ATOM 0 HD3 LYS A 29 1.605 18.900 -13.378 1.00 31.21 H new ATOM 0 HE2 LYS A 29 0.366 18.858 -15.363 1.00 44.44 H new ATOM 0 HE3 LYS A 29 1.785 19.003 -16.381 1.00 44.44 H new ATOM 0 HZ1 LYS A 29 0.854 16.785 -16.486 1.00 62.41 H new ATOM 0 HZ2 LYS A 29 2.404 16.731 -15.795 1.00 62.41 H new ATOM 0 HZ3 LYS A 29 1.029 16.591 -14.808 1.00 62.41 H new ATOM 425 N VAL A 30 2.271 23.917 -13.265 1.00 33.11 N ATOM 426 CA VAL A 30 2.937 24.539 -12.127 1.00 42.43 C ATOM 427 C VAL A 30 3.566 23.490 -11.217 1.00 53.21 C ATOM 428 O VAL A 30 3.233 22.307 -11.293 1.00 44.33 O ATOM 429 CB VAL A 30 1.958 25.397 -11.304 1.00 3.41 C ATOM 430 CG1 VAL A 30 1.989 24.986 -9.840 1.00 1.42 C ATOM 431 CG2 VAL A 30 2.286 26.875 -11.458 1.00 72.15 C ATOM 0 H VAL A 30 1.254 23.989 -13.249 1.00 33.11 H new ATOM 0 HA VAL A 30 3.720 25.181 -12.531 1.00 42.43 H new ATOM 0 HB VAL A 30 0.949 25.230 -11.682 1.00 3.41 H new ATOM 0 HG11 VAL A 30 1.291 25.603 -9.274 1.00 1.42 H new ATOM 0 HG12 VAL A 30 1.702 23.938 -9.750 1.00 1.42 H new ATOM 0 HG13 VAL A 30 2.996 25.122 -9.445 1.00 1.42 H new ATOM 0 HG21 VAL A 30 1.584 27.467 -10.870 1.00 72.15 H new ATOM 0 HG22 VAL A 30 3.301 27.061 -11.107 1.00 72.15 H new ATOM 0 HG23 VAL A 30 2.208 27.158 -12.508 1.00 72.15 H new ATOM 441 N VAL A 31 4.476 23.932 -10.355 1.00 21.41 N ATOM 442 CA VAL A 31 5.151 23.031 -9.428 1.00 11.02 C ATOM 443 C VAL A 31 4.779 23.349 -7.984 1.00 12.00 C ATOM 444 O VAL A 31 4.551 24.507 -7.632 1.00 34.32 O ATOM 445 CB VAL A 31 6.681 23.111 -9.581 1.00 63.25 C ATOM 446 CG1 VAL A 31 7.372 22.419 -8.416 1.00 10.41 C ATOM 447 CG2 VAL A 31 7.116 22.502 -10.906 1.00 52.43 C ATOM 0 H VAL A 31 4.763 24.908 -10.279 1.00 21.41 H new ATOM 0 HA VAL A 31 4.821 22.021 -9.672 1.00 11.02 H new ATOM 0 HB VAL A 31 6.974 24.161 -9.575 1.00 63.25 H new ATOM 0 HG11 VAL A 31 8.453 22.486 -8.542 1.00 10.41 H new ATOM 0 HG12 VAL A 31 7.085 22.903 -7.483 1.00 10.41 H new ATOM 0 HG13 VAL A 31 7.074 21.371 -8.387 1.00 10.41 H new ATOM 0 HG21 VAL A 31 8.200 22.567 -10.998 1.00 52.43 H new ATOM 0 HG22 VAL A 31 6.811 21.456 -10.944 1.00 52.43 H new ATOM 0 HG23 VAL A 31 6.649 23.046 -11.727 1.00 52.43 H new ATOM 457 N ILE A 32 4.720 22.314 -7.152 1.00 51.44 N ATOM 458 CA ILE A 32 4.377 22.484 -5.746 1.00 21.11 C ATOM 459 C ILE A 32 5.190 21.542 -4.864 1.00 71.35 C ATOM 460 O ILE A 32 4.835 20.375 -4.693 1.00 12.21 O ATOM 461 CB ILE A 32 2.878 22.235 -5.498 1.00 34.01 C ATOM 462 CG1 ILE A 32 2.033 23.099 -6.437 1.00 31.50 C ATOM 463 CG2 ILE A 32 2.526 22.522 -4.046 1.00 1.12 C ATOM 464 CD1 ILE A 32 1.507 22.347 -7.640 1.00 31.23 C ATOM 0 H ILE A 32 4.905 21.350 -7.428 1.00 51.44 H new ATOM 0 HA ILE A 32 4.613 23.516 -5.486 1.00 21.11 H new ATOM 0 HB ILE A 32 2.660 21.187 -5.704 1.00 34.01 H new ATOM 0 HG12 ILE A 32 1.192 23.511 -5.880 1.00 31.50 H new ATOM 0 HG13 ILE A 32 2.632 23.943 -6.779 1.00 31.50 H new ATOM 0 HG21 ILE A 32 1.463 22.341 -3.887 1.00 1.12 H new ATOM 0 HG22 ILE A 32 3.107 21.869 -3.395 1.00 1.12 H new ATOM 0 HG23 ILE A 32 2.756 23.562 -3.815 1.00 1.12 H new ATOM 0 HD11 ILE A 32 0.917 23.021 -8.261 1.00 31.23 H new ATOM 0 HD12 ILE A 32 2.344 21.958 -8.220 1.00 31.23 H new ATOM 0 HD13 ILE A 32 0.881 21.520 -7.307 1.00 31.23 H new ATOM 476 N ILE A 33 6.281 22.056 -4.307 1.00 31.12 N ATOM 477 CA ILE A 33 7.142 21.261 -3.440 1.00 44.04 C ATOM 478 C ILE A 33 6.832 21.520 -1.970 1.00 23.40 C ATOM 479 O ILE A 33 6.825 22.665 -1.519 1.00 15.03 O ATOM 480 CB ILE A 33 8.631 21.559 -3.700 1.00 11.53 C ATOM 481 CG1 ILE A 33 8.823 22.119 -5.111 1.00 0.44 C ATOM 482 CG2 ILE A 33 9.465 20.302 -3.505 1.00 11.11 C ATOM 483 CD1 ILE A 33 8.757 23.629 -5.176 1.00 1.34 C ATOM 0 H ILE A 33 6.590 23.019 -4.440 1.00 31.12 H new ATOM 0 HA ILE A 33 6.943 20.214 -3.671 1.00 44.04 H new ATOM 0 HB ILE A 33 8.967 22.309 -2.983 1.00 11.53 H new ATOM 0 HG12 ILE A 33 9.788 21.789 -5.496 1.00 0.44 H new ATOM 0 HG13 ILE A 33 8.058 21.701 -5.766 1.00 0.44 H new ATOM 0 HG21 ILE A 33 10.515 20.529 -3.692 1.00 11.11 H new ATOM 0 HG22 ILE A 33 9.348 19.943 -2.482 1.00 11.11 H new ATOM 0 HG23 ILE A 33 9.131 19.532 -4.200 1.00 11.11 H new ATOM 0 HD11 ILE A 33 8.901 23.956 -6.206 1.00 1.34 H new ATOM 0 HD12 ILE A 33 7.783 23.966 -4.822 1.00 1.34 H new ATOM 0 HD13 ILE A 33 9.539 24.055 -4.547 1.00 1.34 H new ATOM 495 N ASP A 34 6.579 20.448 -1.227 1.00 72.23 N ATOM 496 CA ASP A 34 6.271 20.558 0.194 1.00 71.31 C ATOM 497 C ASP A 34 7.497 20.235 1.042 1.00 2.21 C ATOM 498 O ASP A 34 7.737 19.079 1.391 1.00 11.13 O ATOM 499 CB ASP A 34 5.120 19.620 0.562 1.00 12.42 C ATOM 500 CG ASP A 34 4.976 19.441 2.061 1.00 61.13 C ATOM 501 OD1 ASP A 34 5.382 20.354 2.809 1.00 41.42 O ATOM 502 OD2 ASP A 34 4.458 18.387 2.485 1.00 24.54 O ATOM 0 H ASP A 34 6.581 19.493 -1.585 1.00 72.23 H new ATOM 0 HA ASP A 34 5.971 21.586 0.397 1.00 71.31 H new ATOM 0 HB2 ASP A 34 4.189 20.015 0.155 1.00 12.42 H new ATOM 0 HB3 ASP A 34 5.284 18.648 0.097 1.00 12.42 H new ATOM 507 N PHE A 35 8.271 21.265 1.369 1.00 23.44 N ATOM 508 CA PHE A 35 9.474 21.091 2.175 1.00 63.30 C ATOM 509 C PHE A 35 9.129 20.542 3.556 1.00 3.14 C ATOM 510 O PHE A 35 8.006 20.099 3.799 1.00 0.32 O ATOM 511 CB PHE A 35 10.218 22.421 2.313 1.00 32.22 C ATOM 512 CG PHE A 35 11.154 22.705 1.174 1.00 41.43 C ATOM 513 CD1 PHE A 35 12.166 21.816 0.853 1.00 64.54 C ATOM 514 CD2 PHE A 35 11.022 23.863 0.424 1.00 43.20 C ATOM 515 CE1 PHE A 35 13.030 22.074 -0.196 1.00 15.14 C ATOM 516 CE2 PHE A 35 11.882 24.127 -0.625 1.00 60.15 C ATOM 517 CZ PHE A 35 12.888 23.232 -0.935 1.00 34.01 C ATOM 0 H PHE A 35 8.087 22.228 1.088 1.00 23.44 H new ATOM 0 HA PHE A 35 10.119 20.373 1.669 1.00 63.30 H new ATOM 0 HB2 PHE A 35 9.490 23.229 2.385 1.00 32.22 H new ATOM 0 HB3 PHE A 35 10.783 22.417 3.245 1.00 32.22 H new ATOM 0 HD1 PHE A 35 12.282 20.910 1.429 1.00 64.54 H new ATOM 0 HD2 PHE A 35 10.238 24.567 0.662 1.00 43.20 H new ATOM 0 HE1 PHE A 35 13.814 21.371 -0.437 1.00 15.14 H new ATOM 0 HE2 PHE A 35 11.768 25.033 -1.202 1.00 60.15 H new ATOM 0 HZ PHE A 35 13.562 23.438 -1.754 1.00 34.01 H new ATOM 527 N THR A 36 10.104 20.574 4.460 1.00 42.02 N ATOM 528 CA THR A 36 9.906 20.079 5.816 1.00 11.11 C ATOM 529 C THR A 36 11.239 19.871 6.526 1.00 12.40 C ATOM 530 O THR A 36 12.210 19.418 5.922 1.00 44.31 O ATOM 531 CB THR A 36 9.122 18.753 5.821 1.00 22.03 C ATOM 532 OG1 THR A 36 9.301 18.083 7.074 1.00 11.33 O ATOM 533 CG2 THR A 36 9.581 17.849 4.687 1.00 22.23 C ATOM 0 H THR A 36 11.039 20.938 4.277 1.00 42.02 H new ATOM 0 HA THR A 36 9.329 20.836 6.347 1.00 11.11 H new ATOM 0 HB THR A 36 8.066 18.980 5.679 1.00 22.03 H new ATOM 0 HG1 THR A 36 8.798 17.242 7.070 1.00 11.33 H new ATOM 0 HG21 THR A 36 9.013 16.919 4.711 1.00 22.23 H new ATOM 0 HG22 THR A 36 9.417 18.350 3.733 1.00 22.23 H new ATOM 0 HG23 THR A 36 10.642 17.629 4.804 1.00 22.23 H new ATOM 629 N ARG A 44 -0.404 14.569 8.979 1.00 2.04 N ATOM 630 CA ARG A 44 -1.403 13.668 9.541 1.00 12.42 C ATOM 631 C ARG A 44 -2.808 14.236 9.362 1.00 73.31 C ATOM 632 O ARG A 44 -3.674 13.599 8.761 1.00 51.21 O ATOM 633 CB ARG A 44 -1.125 13.426 11.026 1.00 51.21 C ATOM 634 CG ARG A 44 -0.108 12.327 11.283 1.00 22.45 C ATOM 635 CD ARG A 44 -0.429 11.557 12.555 1.00 74.10 C ATOM 636 NE ARG A 44 0.414 11.971 13.673 1.00 33.23 N ATOM 637 CZ ARG A 44 1.710 11.694 13.758 1.00 21.43 C ATOM 638 NH1 ARG A 44 2.309 11.006 12.796 1.00 51.24 N ATOM 639 NH2 ARG A 44 2.410 12.105 14.808 1.00 63.23 N ATOM 0 HA ARG A 44 -1.342 12.719 9.008 1.00 12.42 H new ATOM 0 HB2 ARG A 44 -0.768 14.352 11.476 1.00 51.21 H new ATOM 0 HB3 ARG A 44 -2.059 13.169 11.525 1.00 51.21 H new ATOM 0 HG2 ARG A 44 -0.090 11.641 10.436 1.00 22.45 H new ATOM 0 HG3 ARG A 44 0.888 12.763 11.362 1.00 22.45 H new ATOM 0 HD2 ARG A 44 -1.477 11.708 12.816 1.00 74.10 H new ATOM 0 HD3 ARG A 44 -0.296 10.490 12.376 1.00 74.10 H new ATOM 0 HE ARG A 44 -0.016 12.502 14.430 1.00 33.23 H new ATOM 0 HH11 ARG A 44 1.774 10.688 11.988 1.00 51.24 H new ATOM 0 HH12 ARG A 44 3.305 10.795 12.864 1.00 51.24 H new ATOM 0 HH21 ARG A 44 1.953 12.634 15.550 1.00 63.23 H new ATOM 0 HH22 ARG A 44 3.405 11.892 14.872 1.00 63.23 H new ATOM 653 N PHE A 45 -3.028 15.436 9.888 1.00 43.33 N ATOM 654 CA PHE A 45 -4.328 16.089 9.787 1.00 21.12 C ATOM 655 C PHE A 45 -4.611 16.519 8.351 1.00 42.21 C ATOM 656 O PHE A 45 -5.722 16.350 7.849 1.00 54.12 O ATOM 657 CB PHE A 45 -4.386 17.303 10.716 1.00 3.42 C ATOM 658 CG PHE A 45 -5.604 18.157 10.511 1.00 14.24 C ATOM 659 CD1 PHE A 45 -5.589 19.204 9.603 1.00 22.45 C ATOM 660 CD2 PHE A 45 -6.765 17.914 11.227 1.00 34.45 C ATOM 661 CE1 PHE A 45 -6.709 19.991 9.412 1.00 3.03 C ATOM 662 CE2 PHE A 45 -7.888 18.697 11.040 1.00 13.33 C ATOM 663 CZ PHE A 45 -7.860 19.738 10.133 1.00 65.04 C ATOM 0 H PHE A 45 -2.323 15.976 10.389 1.00 43.33 H new ATOM 0 HA PHE A 45 -5.091 15.372 10.090 1.00 21.12 H new ATOM 0 HB2 PHE A 45 -4.362 16.960 11.750 1.00 3.42 H new ATOM 0 HB3 PHE A 45 -3.495 17.912 10.561 1.00 3.42 H new ATOM 0 HD1 PHE A 45 -4.691 19.407 9.038 1.00 22.45 H new ATOM 0 HD2 PHE A 45 -6.793 17.103 11.940 1.00 34.45 H new ATOM 0 HE1 PHE A 45 -6.684 20.803 8.700 1.00 3.03 H new ATOM 0 HE2 PHE A 45 -8.787 18.495 11.603 1.00 13.33 H new ATOM 0 HZ PHE A 45 -8.736 20.353 9.988 1.00 65.04 H new ATOM 673 N ILE A 46 -3.598 17.076 7.696 1.00 2.41 N ATOM 674 CA ILE A 46 -3.737 17.531 6.318 1.00 21.51 C ATOM 675 C ILE A 46 -3.078 16.555 5.349 1.00 74.14 C ATOM 676 O ILE A 46 -2.910 16.856 4.167 1.00 14.24 O ATOM 677 CB ILE A 46 -3.120 18.928 6.121 1.00 71.12 C ATOM 678 CG1 ILE A 46 -3.795 19.647 4.951 1.00 63.54 C ATOM 679 CG2 ILE A 46 -1.621 18.817 5.888 1.00 63.22 C ATOM 680 CD1 ILE A 46 -3.795 21.153 5.086 1.00 12.10 C ATOM 0 H ILE A 46 -2.672 17.223 8.097 1.00 2.41 H new ATOM 0 HA ILE A 46 -4.805 17.583 6.109 1.00 21.51 H new ATOM 0 HB ILE A 46 -3.285 19.513 7.026 1.00 71.12 H new ATOM 0 HG12 ILE A 46 -3.288 19.373 4.026 1.00 63.54 H new ATOM 0 HG13 ILE A 46 -4.824 19.298 4.866 1.00 63.54 H new ATOM 0 HG21 ILE A 46 -1.199 19.813 5.750 1.00 63.22 H new ATOM 0 HG22 ILE A 46 -1.153 18.341 6.750 1.00 63.22 H new ATOM 0 HG23 ILE A 46 -1.435 18.218 4.997 1.00 63.22 H new ATOM 0 HD11 ILE A 46 -4.289 21.596 4.221 1.00 12.10 H new ATOM 0 HD12 ILE A 46 -4.328 21.437 5.994 1.00 12.10 H new ATOM 0 HD13 ILE A 46 -2.768 21.513 5.141 1.00 12.10 H new ATOM 692 N ALA A 47 -2.709 15.384 5.856 1.00 30.43 N ATOM 693 CA ALA A 47 -2.073 14.362 5.035 1.00 65.43 C ATOM 694 C ALA A 47 -2.951 13.987 3.846 1.00 41.33 C ATOM 695 O ALA A 47 -2.527 14.033 2.691 1.00 64.01 O ATOM 696 CB ALA A 47 -1.761 13.130 5.872 1.00 72.22 C ATOM 0 H ALA A 47 -2.840 15.119 6.832 1.00 30.43 H new ATOM 0 HA ALA A 47 -1.139 14.771 4.649 1.00 65.43 H new ATOM 0 HB1 ALA A 47 -1.286 12.375 5.245 1.00 72.22 H new ATOM 0 HB2 ALA A 47 -1.088 13.403 6.684 1.00 72.22 H new ATOM 0 HB3 ALA A 47 -2.685 12.728 6.287 1.00 72.22 H new ATOM 702 N PRO A 48 -4.205 13.607 4.132 1.00 40.21 N ATOM 703 CA PRO A 48 -5.169 13.217 3.099 1.00 53.31 C ATOM 704 C PRO A 48 -5.618 14.401 2.248 1.00 23.32 C ATOM 705 O PRO A 48 -6.486 14.265 1.386 1.00 33.04 O ATOM 706 CB PRO A 48 -6.346 12.661 3.904 1.00 13.11 C ATOM 707 CG PRO A 48 -6.247 13.330 5.232 1.00 41.15 C ATOM 708 CD PRO A 48 -4.778 13.529 5.486 1.00 14.30 C ATOM 0 HA PRO A 48 -4.743 12.504 2.393 1.00 53.31 H new ATOM 0 HB2 PRO A 48 -7.297 12.882 3.419 1.00 13.11 H new ATOM 0 HB3 PRO A 48 -6.282 11.577 4.001 1.00 13.11 H new ATOM 0 HG2 PRO A 48 -6.775 14.283 5.229 1.00 41.15 H new ATOM 0 HG3 PRO A 48 -6.699 12.718 6.012 1.00 41.15 H new ATOM 0 HD2 PRO A 48 -4.588 14.439 6.056 1.00 14.30 H new ATOM 0 HD3 PRO A 48 -4.353 12.702 6.055 1.00 14.30 H new ATOM 716 N VAL A 49 -5.020 15.562 2.495 1.00 24.25 N ATOM 717 CA VAL A 49 -5.356 16.769 1.751 1.00 55.22 C ATOM 718 C VAL A 49 -4.340 17.035 0.646 1.00 12.10 C ATOM 719 O VAL A 49 -4.707 17.293 -0.501 1.00 2.44 O ATOM 720 CB VAL A 49 -5.426 17.998 2.676 1.00 3.53 C ATOM 721 CG1 VAL A 49 -5.263 19.281 1.874 1.00 33.33 C ATOM 722 CG2 VAL A 49 -6.734 18.007 3.453 1.00 41.54 C ATOM 0 H VAL A 49 -4.300 15.692 3.205 1.00 24.25 H new ATOM 0 HA VAL A 49 -6.337 16.603 1.306 1.00 55.22 H new ATOM 0 HB VAL A 49 -4.606 17.939 3.392 1.00 3.53 H new ATOM 0 HG11 VAL A 49 -5.315 20.139 2.545 1.00 33.33 H new ATOM 0 HG12 VAL A 49 -4.297 19.274 1.369 1.00 33.33 H new ATOM 0 HG13 VAL A 49 -6.060 19.351 1.133 1.00 33.33 H new ATOM 0 HG21 VAL A 49 -6.766 18.883 4.101 1.00 41.54 H new ATOM 0 HG22 VAL A 49 -7.571 18.041 2.756 1.00 41.54 H new ATOM 0 HG23 VAL A 49 -6.803 17.104 4.059 1.00 41.54 H new ATOM 732 N PHE A 50 -3.061 16.970 0.999 1.00 65.44 N ATOM 733 CA PHE A 50 -1.990 17.204 0.037 1.00 63.32 C ATOM 734 C PHE A 50 -2.002 16.143 -1.060 1.00 21.43 C ATOM 735 O PHE A 50 -2.361 16.421 -2.203 1.00 61.24 O ATOM 736 CB PHE A 50 -0.633 17.207 0.743 1.00 4.45 C ATOM 737 CG PHE A 50 -0.522 18.245 1.823 1.00 1.44 C ATOM 738 CD1 PHE A 50 -1.484 19.234 1.953 1.00 2.14 C ATOM 739 CD2 PHE A 50 0.544 18.232 2.709 1.00 52.22 C ATOM 740 CE1 PHE A 50 -1.384 20.191 2.946 1.00 62.13 C ATOM 741 CE2 PHE A 50 0.649 19.186 3.704 1.00 51.25 C ATOM 742 CZ PHE A 50 -0.317 20.166 3.823 1.00 41.24 C ATOM 0 H PHE A 50 -2.741 16.757 1.944 1.00 65.44 H new ATOM 0 HA PHE A 50 -2.155 18.179 -0.422 1.00 63.32 H new ATOM 0 HB2 PHE A 50 -0.456 16.223 1.176 1.00 4.45 H new ATOM 0 HB3 PHE A 50 0.151 17.376 0.005 1.00 4.45 H new ATOM 0 HD1 PHE A 50 -2.321 19.258 1.271 1.00 2.14 H new ATOM 0 HD2 PHE A 50 1.302 17.467 2.621 1.00 52.22 H new ATOM 0 HE1 PHE A 50 -2.140 20.957 3.036 1.00 62.13 H new ATOM 0 HE2 PHE A 50 1.485 19.165 4.387 1.00 51.25 H new ATOM 0 HZ PHE A 50 -0.238 20.912 4.600 1.00 41.24 H new ATOM 752 N ALA A 51 -1.606 14.926 -0.701 1.00 71.55 N ATOM 753 CA ALA A 51 -1.573 13.822 -1.653 1.00 44.13 C ATOM 754 C ALA A 51 -2.846 13.781 -2.491 1.00 42.25 C ATOM 755 O ALA A 51 -2.790 13.684 -3.717 1.00 4.12 O ATOM 756 CB ALA A 51 -1.376 12.502 -0.924 1.00 31.53 C ATOM 0 H ALA A 51 -1.304 14.680 0.242 1.00 71.55 H new ATOM 0 HA ALA A 51 -0.731 13.981 -2.327 1.00 44.13 H new ATOM 0 HB1 ALA A 51 -1.353 11.687 -1.647 1.00 31.53 H new ATOM 0 HB2 ALA A 51 -0.435 12.526 -0.375 1.00 31.53 H new ATOM 0 HB3 ALA A 51 -2.199 12.345 -0.226 1.00 31.53 H new ATOM 762 N GLU A 52 -3.992 13.855 -1.822 1.00 51.33 N ATOM 763 CA GLU A 52 -5.279 13.825 -2.507 1.00 71.02 C ATOM 764 C GLU A 52 -5.431 15.028 -3.434 1.00 1.15 C ATOM 765 O GLU A 52 -6.062 14.938 -4.487 1.00 43.41 O ATOM 766 CB GLU A 52 -6.422 13.803 -1.491 1.00 35.33 C ATOM 767 CG GLU A 52 -7.011 15.174 -1.207 1.00 12.34 C ATOM 768 CD GLU A 52 -8.246 15.109 -0.329 1.00 71.21 C ATOM 769 OE1 GLU A 52 -9.175 14.347 -0.668 1.00 34.34 O ATOM 770 OE2 GLU A 52 -8.283 15.820 0.697 1.00 44.22 O ATOM 0 H GLU A 52 -4.056 13.936 -0.807 1.00 51.33 H new ATOM 0 HA GLU A 52 -5.320 12.917 -3.109 1.00 71.02 H new ATOM 0 HB2 GLU A 52 -7.211 13.147 -1.859 1.00 35.33 H new ATOM 0 HB3 GLU A 52 -6.059 13.373 -0.558 1.00 35.33 H new ATOM 0 HG2 GLU A 52 -6.258 15.795 -0.722 1.00 12.34 H new ATOM 0 HG3 GLU A 52 -7.265 15.658 -2.150 1.00 12.34 H new ATOM 777 N TYR A 53 -4.849 16.153 -3.033 1.00 22.23 N ATOM 778 CA TYR A 53 -4.921 17.375 -3.824 1.00 53.13 C ATOM 779 C TYR A 53 -4.102 17.244 -5.105 1.00 2.55 C ATOM 780 O TYR A 53 -4.565 17.595 -6.190 1.00 22.25 O ATOM 781 CB TYR A 53 -4.423 18.568 -3.006 1.00 73.22 C ATOM 782 CG TYR A 53 -5.481 19.171 -2.109 1.00 62.24 C ATOM 783 CD1 TYR A 53 -6.679 18.508 -1.872 1.00 4.33 C ATOM 784 CD2 TYR A 53 -5.281 20.403 -1.499 1.00 33.01 C ATOM 785 CE1 TYR A 53 -7.648 19.056 -1.054 1.00 3.02 C ATOM 786 CE2 TYR A 53 -6.244 20.958 -0.678 1.00 73.31 C ATOM 787 CZ TYR A 53 -7.426 20.281 -0.459 1.00 61.31 C ATOM 788 OH TYR A 53 -8.388 20.829 0.358 1.00 71.04 O ATOM 0 H TYR A 53 -4.322 16.244 -2.164 1.00 22.23 H new ATOM 0 HA TYR A 53 -5.963 17.540 -4.096 1.00 53.13 H new ATOM 0 HB2 TYR A 53 -3.578 18.251 -2.395 1.00 73.22 H new ATOM 0 HB3 TYR A 53 -4.055 19.336 -3.686 1.00 73.22 H new ATOM 0 HD1 TYR A 53 -6.855 17.548 -2.335 1.00 4.33 H new ATOM 0 HD2 TYR A 53 -4.357 20.936 -1.669 1.00 33.01 H new ATOM 0 HE1 TYR A 53 -8.574 18.528 -0.881 1.00 3.02 H new ATOM 0 HE2 TYR A 53 -6.072 21.916 -0.210 1.00 73.31 H new ATOM 0 HH TYR A 53 -8.075 21.693 0.698 1.00 71.04 H new ATOM 798 N ALA A 54 -2.881 16.737 -4.969 1.00 31.24 N ATOM 799 CA ALA A 54 -1.997 16.557 -6.113 1.00 61.43 C ATOM 800 C ALA A 54 -2.763 16.027 -7.321 1.00 31.13 C ATOM 801 O ALA A 54 -2.578 16.499 -8.443 1.00 11.13 O ATOM 802 CB ALA A 54 -0.856 15.616 -5.756 1.00 23.13 C ATOM 0 H ALA A 54 -2.482 16.444 -4.077 1.00 31.24 H new ATOM 0 HA ALA A 54 -1.582 17.530 -6.376 1.00 61.43 H new ATOM 0 HB1 ALA A 54 -0.204 15.491 -6.620 1.00 23.13 H new ATOM 0 HB2 ALA A 54 -0.285 16.035 -4.928 1.00 23.13 H new ATOM 0 HB3 ALA A 54 -1.261 14.647 -5.464 1.00 23.13 H new ATOM 808 N LYS A 55 -3.624 15.043 -7.084 1.00 62.32 N ATOM 809 CA LYS A 55 -4.419 14.448 -8.152 1.00 12.23 C ATOM 810 C LYS A 55 -5.574 15.364 -8.544 1.00 73.11 C ATOM 811 O LYS A 55 -5.898 15.501 -9.724 1.00 12.30 O ATOM 812 CB LYS A 55 -4.961 13.085 -7.714 1.00 2.51 C ATOM 813 CG LYS A 55 -3.905 12.178 -7.108 1.00 22.45 C ATOM 814 CD LYS A 55 -4.529 11.101 -6.235 1.00 40.15 C ATOM 815 CE LYS A 55 -5.513 10.248 -7.022 1.00 24.14 C ATOM 816 NZ LYS A 55 -4.870 9.020 -7.566 1.00 60.12 N ATOM 0 H LYS A 55 -3.789 14.641 -6.161 1.00 62.32 H new ATOM 0 HA LYS A 55 -3.774 14.313 -9.020 1.00 12.23 H new ATOM 0 HB2 LYS A 55 -5.758 13.237 -6.987 1.00 2.51 H new ATOM 0 HB3 LYS A 55 -5.406 12.586 -8.575 1.00 2.51 H new ATOM 0 HG2 LYS A 55 -3.325 11.711 -7.904 1.00 22.45 H new ATOM 0 HG3 LYS A 55 -3.211 12.772 -6.514 1.00 22.45 H new ATOM 0 HD2 LYS A 55 -3.745 10.467 -5.822 1.00 40.15 H new ATOM 0 HD3 LYS A 55 -5.041 11.565 -5.392 1.00 40.15 H new ATOM 0 HE2 LYS A 55 -6.346 9.967 -6.378 1.00 24.14 H new ATOM 0 HE3 LYS A 55 -5.928 10.835 -7.842 1.00 24.14 H new ATOM 0 HZ1 LYS A 55 -5.573 8.466 -8.096 1.00 60.12 H new ATOM 0 HZ2 LYS A 55 -4.091 9.288 -8.201 1.00 60.12 H new ATOM 0 HZ3 LYS A 55 -4.497 8.447 -6.782 1.00 60.12 H new ATOM 830 N LYS A 56 -6.192 15.990 -7.548 1.00 21.31 N ATOM 831 CA LYS A 56 -7.309 16.895 -7.788 1.00 73.02 C ATOM 832 C LYS A 56 -6.895 18.038 -8.709 1.00 0.41 C ATOM 833 O LYS A 56 -7.724 18.608 -9.419 1.00 43.30 O ATOM 834 CB LYS A 56 -7.832 17.456 -6.464 1.00 4.22 C ATOM 835 CG LYS A 56 -8.416 16.399 -5.543 1.00 73.24 C ATOM 836 CD LYS A 56 -9.804 16.785 -5.061 1.00 14.10 C ATOM 837 CE LYS A 56 -9.787 18.113 -4.320 1.00 12.14 C ATOM 838 NZ LYS A 56 -11.129 18.463 -3.777 1.00 32.32 N ATOM 0 H LYS A 56 -5.937 15.887 -6.566 1.00 21.31 H new ATOM 0 HA LYS A 56 -8.104 16.330 -8.275 1.00 73.02 H new ATOM 0 HB2 LYS A 56 -7.018 17.965 -5.948 1.00 4.22 H new ATOM 0 HB3 LYS A 56 -8.595 18.205 -6.673 1.00 4.22 H new ATOM 0 HG2 LYS A 56 -8.464 15.445 -6.067 1.00 73.24 H new ATOM 0 HG3 LYS A 56 -7.758 16.259 -4.685 1.00 73.24 H new ATOM 0 HD2 LYS A 56 -10.481 16.851 -5.913 1.00 14.10 H new ATOM 0 HD3 LYS A 56 -10.192 16.006 -4.405 1.00 14.10 H new ATOM 0 HE2 LYS A 56 -9.066 18.064 -3.504 1.00 12.14 H new ATOM 0 HE3 LYS A 56 -9.451 18.901 -4.994 1.00 12.14 H new ATOM 0 HZ1 LYS A 56 -11.075 19.375 -3.279 1.00 32.32 H new ATOM 0 HZ2 LYS A 56 -11.812 18.535 -4.558 1.00 32.32 H new ATOM 0 HZ3 LYS A 56 -11.439 17.724 -3.114 1.00 32.32 H new ATOM 852 N PHE A 57 -5.608 18.368 -8.693 1.00 3.12 N ATOM 853 CA PHE A 57 -5.084 19.443 -9.527 1.00 5.31 C ATOM 854 C PHE A 57 -4.114 18.898 -10.571 1.00 51.05 C ATOM 855 O PHE A 57 -2.904 18.825 -10.354 1.00 54.14 O ATOM 856 CB PHE A 57 -4.382 20.493 -8.662 1.00 62.50 C ATOM 857 CG PHE A 57 -5.307 21.553 -8.138 1.00 1.40 C ATOM 858 CD1 PHE A 57 -5.965 21.383 -6.930 1.00 64.05 C ATOM 859 CD2 PHE A 57 -5.519 22.721 -8.853 1.00 72.02 C ATOM 860 CE1 PHE A 57 -6.816 22.357 -6.445 1.00 54.51 C ATOM 861 CE2 PHE A 57 -6.369 23.699 -8.373 1.00 13.02 C ATOM 862 CZ PHE A 57 -7.020 23.517 -7.168 1.00 23.41 C ATOM 0 H PHE A 57 -4.909 17.906 -8.112 1.00 3.12 H new ATOM 0 HA PHE A 57 -5.923 19.909 -10.044 1.00 5.31 H new ATOM 0 HB2 PHE A 57 -3.899 19.995 -7.821 1.00 62.50 H new ATOM 0 HB3 PHE A 57 -3.594 20.967 -9.247 1.00 62.50 H new ATOM 0 HD1 PHE A 57 -5.810 20.478 -6.361 1.00 64.05 H new ATOM 0 HD2 PHE A 57 -5.014 22.869 -9.796 1.00 72.02 H new ATOM 0 HE1 PHE A 57 -7.321 22.212 -5.502 1.00 54.51 H new ATOM 0 HE2 PHE A 57 -6.524 24.605 -8.940 1.00 13.02 H new ATOM 0 HZ PHE A 57 -7.686 24.279 -6.792 1.00 23.41 H new ATOM 872 N PRO A 58 -4.657 18.505 -11.733 1.00 62.33 N ATOM 873 CA PRO A 58 -3.859 17.959 -12.835 1.00 62.12 C ATOM 874 C PRO A 58 -2.978 19.016 -13.492 1.00 3.20 C ATOM 875 O PRO A 58 -2.181 18.711 -14.378 1.00 72.05 O ATOM 876 CB PRO A 58 -4.915 17.455 -13.822 1.00 63.40 C ATOM 877 CG PRO A 58 -6.123 18.278 -13.537 1.00 33.40 C ATOM 878 CD PRO A 58 -6.091 18.563 -12.061 1.00 12.00 C ATOM 0 HA PRO A 58 -3.170 17.186 -12.495 1.00 62.12 H new ATOM 0 HB2 PRO A 58 -4.585 17.580 -14.853 1.00 63.40 H new ATOM 0 HB3 PRO A 58 -5.116 16.393 -13.679 1.00 63.40 H new ATOM 0 HG2 PRO A 58 -6.110 19.203 -14.113 1.00 33.40 H new ATOM 0 HG3 PRO A 58 -7.033 17.744 -13.812 1.00 33.40 H new ATOM 0 HD2 PRO A 58 -6.517 19.540 -11.831 1.00 12.00 H new ATOM 0 HD3 PRO A 58 -6.662 17.826 -11.497 1.00 12.00 H new ATOM 886 N GLY A 59 -3.126 20.262 -13.050 1.00 71.52 N ATOM 887 CA GLY A 59 -2.337 21.345 -13.606 1.00 62.15 C ATOM 888 C GLY A 59 -1.048 21.575 -12.843 1.00 21.35 C ATOM 889 O GLY A 59 -0.441 22.640 -12.943 1.00 2.44 O ATOM 0 H GLY A 59 -3.778 20.540 -12.317 1.00 71.52 H new ATOM 0 HA2 GLY A 59 -2.104 21.123 -14.647 1.00 62.15 H new ATOM 0 HA3 GLY A 59 -2.928 22.261 -13.600 1.00 62.15 H new ATOM 893 N ALA A 60 -0.630 20.573 -12.076 1.00 22.03 N ATOM 894 CA ALA A 60 0.595 20.671 -11.292 1.00 23.11 C ATOM 895 C ALA A 60 1.254 19.305 -11.131 1.00 5.33 C ATOM 896 O ALA A 60 0.637 18.272 -11.389 1.00 14.14 O ATOM 897 CB ALA A 60 0.303 21.282 -9.930 1.00 32.05 C ATOM 0 H ALA A 60 -1.122 19.684 -11.981 1.00 22.03 H new ATOM 0 HA ALA A 60 1.289 21.319 -11.827 1.00 23.11 H new ATOM 0 HB1 ALA A 60 1.227 21.349 -9.356 1.00 32.05 H new ATOM 0 HB2 ALA A 60 -0.116 22.280 -10.061 1.00 32.05 H new ATOM 0 HB3 ALA A 60 -0.412 20.656 -9.396 1.00 32.05 H new ATOM 903 N VAL A 61 2.513 19.308 -10.703 1.00 62.43 N ATOM 904 CA VAL A 61 3.256 18.069 -10.507 1.00 63.44 C ATOM 905 C VAL A 61 3.239 17.643 -9.044 1.00 4.14 C ATOM 906 O VAL A 61 3.203 16.453 -8.732 1.00 73.52 O ATOM 907 CB VAL A 61 4.718 18.211 -10.972 1.00 52.14 C ATOM 908 CG1 VAL A 61 4.777 18.511 -12.462 1.00 64.14 C ATOM 909 CG2 VAL A 61 5.427 19.294 -10.173 1.00 63.15 C ATOM 0 H VAL A 61 3.039 20.154 -10.486 1.00 62.43 H new ATOM 0 HA VAL A 61 2.763 17.306 -11.110 1.00 63.44 H new ATOM 0 HB VAL A 61 5.232 17.266 -10.796 1.00 52.14 H new ATOM 0 HG11 VAL A 61 5.817 18.608 -12.773 1.00 64.14 H new ATOM 0 HG12 VAL A 61 4.307 17.698 -13.016 1.00 64.14 H new ATOM 0 HG13 VAL A 61 4.249 19.442 -12.667 1.00 64.14 H new ATOM 0 HG21 VAL A 61 6.459 19.381 -10.514 1.00 63.15 H new ATOM 0 HG22 VAL A 61 4.916 20.246 -10.317 1.00 63.15 H new ATOM 0 HG23 VAL A 61 5.416 19.032 -9.115 1.00 63.15 H new ATOM 919 N PHE A 62 3.266 18.624 -8.148 1.00 11.33 N ATOM 920 CA PHE A 62 3.254 18.352 -6.715 1.00 60.01 C ATOM 921 C PHE A 62 4.424 17.454 -6.322 1.00 53.24 C ATOM 922 O PHE A 62 4.985 16.745 -7.159 1.00 1.13 O ATOM 923 CB PHE A 62 1.933 17.694 -6.310 1.00 42.04 C ATOM 924 CG PHE A 62 0.746 18.605 -6.438 1.00 11.01 C ATOM 925 CD1 PHE A 62 0.091 18.745 -7.651 1.00 15.13 C ATOM 926 CD2 PHE A 62 0.285 19.321 -5.345 1.00 32.01 C ATOM 927 CE1 PHE A 62 -1.002 19.583 -7.771 1.00 3.33 C ATOM 928 CE2 PHE A 62 -0.807 20.161 -5.459 1.00 33.51 C ATOM 929 CZ PHE A 62 -1.452 20.291 -6.673 1.00 60.12 C ATOM 0 H PHE A 62 3.296 19.615 -8.389 1.00 11.33 H new ATOM 0 HA PHE A 62 3.355 19.302 -6.190 1.00 60.01 H new ATOM 0 HB2 PHE A 62 1.772 16.811 -6.928 1.00 42.04 H new ATOM 0 HB3 PHE A 62 2.008 17.351 -5.278 1.00 42.04 H new ATOM 0 HD1 PHE A 62 0.438 18.193 -8.512 1.00 15.13 H new ATOM 0 HD2 PHE A 62 0.785 19.222 -4.393 1.00 32.01 H new ATOM 0 HE1 PHE A 62 -1.504 19.684 -8.722 1.00 3.33 H new ATOM 0 HE2 PHE A 62 -1.155 20.715 -4.600 1.00 33.51 H new ATOM 0 HZ PHE A 62 -2.307 20.945 -6.764 1.00 60.12 H new ATOM 939 N LEU A 63 4.786 17.490 -5.045 1.00 45.40 N ATOM 940 CA LEU A 63 5.890 16.681 -4.540 1.00 31.12 C ATOM 941 C LEU A 63 6.327 17.158 -3.159 1.00 4.13 C ATOM 942 O LEU A 63 6.235 18.344 -2.841 1.00 45.24 O ATOM 943 CB LEU A 63 7.073 16.734 -5.509 1.00 35.15 C ATOM 944 CG LEU A 63 8.459 16.574 -4.884 1.00 42.03 C ATOM 945 CD1 LEU A 63 9.074 15.241 -5.283 1.00 53.32 C ATOM 946 CD2 LEU A 63 9.365 17.726 -5.295 1.00 61.54 C ATOM 0 H LEU A 63 4.332 18.070 -4.340 1.00 45.40 H new ATOM 0 HA LEU A 63 5.544 15.651 -4.456 1.00 31.12 H new ATOM 0 HB2 LEU A 63 6.941 15.951 -6.256 1.00 35.15 H new ATOM 0 HB3 LEU A 63 7.042 17.687 -6.037 1.00 35.15 H new ATOM 0 HG LEU A 63 8.352 16.591 -3.799 1.00 42.03 H new ATOM 0 HD11 LEU A 63 10.060 15.145 -4.829 1.00 53.32 H new ATOM 0 HD12 LEU A 63 8.435 14.428 -4.939 1.00 53.32 H new ATOM 0 HD13 LEU A 63 9.168 15.194 -6.368 1.00 53.32 H new ATOM 0 HD21 LEU A 63 10.347 17.596 -4.841 1.00 61.54 H new ATOM 0 HD22 LEU A 63 9.466 17.740 -6.380 1.00 61.54 H new ATOM 0 HD23 LEU A 63 8.932 18.668 -4.958 1.00 61.54 H new ATOM 958 N LYS A 64 6.806 16.227 -2.341 1.00 31.32 N ATOM 959 CA LYS A 64 7.262 16.551 -0.994 1.00 52.03 C ATOM 960 C LYS A 64 8.701 16.093 -0.782 1.00 42.12 C ATOM 961 O LYS A 64 9.054 14.956 -1.096 1.00 1.13 O ATOM 962 CB LYS A 64 6.349 15.898 0.046 1.00 1.44 C ATOM 963 CG LYS A 64 7.098 15.080 1.084 1.00 12.44 C ATOM 964 CD LYS A 64 6.144 14.303 1.976 1.00 72.35 C ATOM 965 CE LYS A 64 5.049 13.627 1.164 1.00 12.32 C ATOM 966 NZ LYS A 64 4.465 12.461 1.883 1.00 1.01 N ATOM 0 H LYS A 64 6.889 15.241 -2.588 1.00 31.32 H new ATOM 0 HA LYS A 64 7.223 17.634 -0.874 1.00 52.03 H new ATOM 0 HB2 LYS A 64 5.775 16.674 0.552 1.00 1.44 H new ATOM 0 HB3 LYS A 64 5.633 15.254 -0.464 1.00 1.44 H new ATOM 0 HG2 LYS A 64 7.775 14.388 0.584 1.00 12.44 H new ATOM 0 HG3 LYS A 64 7.712 15.741 1.695 1.00 12.44 H new ATOM 0 HD2 LYS A 64 6.699 13.551 2.537 1.00 72.35 H new ATOM 0 HD3 LYS A 64 5.695 14.977 2.705 1.00 72.35 H new ATOM 0 HE2 LYS A 64 4.262 14.349 0.943 1.00 12.32 H new ATOM 0 HE3 LYS A 64 5.457 13.297 0.208 1.00 12.32 H new ATOM 0 HZ1 LYS A 64 3.723 12.028 1.297 1.00 1.01 H new ATOM 0 HZ2 LYS A 64 5.210 11.761 2.071 1.00 1.01 H new ATOM 0 HZ3 LYS A 64 4.053 12.779 2.784 1.00 1.01 H new ATOM 980 N VAL A 65 9.528 16.985 -0.246 1.00 45.15 N ATOM 981 CA VAL A 65 10.929 16.671 0.010 1.00 0.41 C ATOM 982 C VAL A 65 11.302 16.966 1.459 1.00 52.34 C ATOM 983 O VAL A 65 10.562 17.640 2.176 1.00 41.21 O ATOM 984 CB VAL A 65 11.862 17.468 -0.921 1.00 63.10 C ATOM 985 CG1 VAL A 65 11.121 17.902 -2.176 1.00 52.40 C ATOM 986 CG2 VAL A 65 12.443 18.670 -0.192 1.00 14.15 C ATOM 0 H VAL A 65 9.252 17.931 0.019 1.00 45.15 H new ATOM 0 HA VAL A 65 11.056 15.606 -0.186 1.00 0.41 H new ATOM 0 HB VAL A 65 12.686 16.821 -1.221 1.00 63.10 H new ATOM 0 HG11 VAL A 65 11.796 18.464 -2.821 1.00 52.40 H new ATOM 0 HG12 VAL A 65 10.759 17.022 -2.708 1.00 52.40 H new ATOM 0 HG13 VAL A 65 10.275 18.532 -1.900 1.00 52.40 H new ATOM 0 HG21 VAL A 65 13.100 19.221 -0.865 1.00 14.15 H new ATOM 0 HG22 VAL A 65 11.634 19.321 0.139 1.00 14.15 H new ATOM 0 HG23 VAL A 65 13.013 18.330 0.673 1.00 14.15 H new ATOM 996 N ASP A 66 12.453 16.458 1.883 1.00 64.35 N ATOM 997 CA ASP A 66 12.926 16.668 3.246 1.00 62.40 C ATOM 998 C ASP A 66 14.156 17.571 3.262 1.00 74.42 C ATOM 999 O ASP A 66 15.165 17.275 2.622 1.00 74.44 O ATOM 1000 CB ASP A 66 13.254 15.328 3.907 1.00 73.20 C ATOM 1001 CG ASP A 66 13.265 15.416 5.420 1.00 1.34 C ATOM 1002 OD1 ASP A 66 13.344 16.545 5.948 1.00 11.55 O ATOM 1003 OD2 ASP A 66 13.194 14.357 6.077 1.00 63.52 O ATOM 0 H ASP A 66 13.076 15.897 1.302 1.00 64.35 H new ATOM 0 HA ASP A 66 12.131 17.157 3.808 1.00 62.40 H new ATOM 0 HB2 ASP A 66 12.522 14.583 3.595 1.00 73.20 H new ATOM 0 HB3 ASP A 66 14.228 14.983 3.559 1.00 73.20 H new ATOM 1008 N VAL A 67 14.064 18.674 3.997 1.00 54.41 N ATOM 1009 CA VAL A 67 15.168 19.621 4.096 1.00 0.03 C ATOM 1010 C VAL A 67 16.188 19.168 5.135 1.00 0.40 C ATOM 1011 O VAL A 67 16.810 19.990 5.809 1.00 52.24 O ATOM 1012 CB VAL A 67 14.668 21.030 4.464 1.00 13.53 C ATOM 1013 CG1 VAL A 67 13.451 21.400 3.629 1.00 1.35 C ATOM 1014 CG2 VAL A 67 14.350 21.112 5.950 1.00 71.43 C ATOM 0 H VAL A 67 13.236 18.934 4.533 1.00 54.41 H new ATOM 0 HA VAL A 67 15.643 19.657 3.116 1.00 0.03 H new ATOM 0 HB VAL A 67 15.460 21.746 4.245 1.00 13.53 H new ATOM 0 HG11 VAL A 67 13.112 22.399 3.903 1.00 1.35 H new ATOM 0 HG12 VAL A 67 13.717 21.384 2.572 1.00 1.35 H new ATOM 0 HG13 VAL A 67 12.652 20.682 3.813 1.00 1.35 H new ATOM 0 HG21 VAL A 67 13.998 22.115 6.192 1.00 71.43 H new ATOM 0 HG22 VAL A 67 13.575 20.386 6.197 1.00 71.43 H new ATOM 0 HG23 VAL A 67 15.249 20.894 6.527 1.00 71.43 H new ATOM 1024 N ASP A 68 16.355 17.856 5.259 1.00 2.52 N ATOM 1025 CA ASP A 68 17.302 17.293 6.215 1.00 14.42 C ATOM 1026 C ASP A 68 18.264 16.331 5.525 1.00 13.51 C ATOM 1027 O ASP A 68 19.314 15.994 6.069 1.00 24.31 O ATOM 1028 CB ASP A 68 16.556 16.571 7.338 1.00 71.50 C ATOM 1029 CG ASP A 68 17.480 16.125 8.454 1.00 65.23 C ATOM 1030 OD1 ASP A 68 18.200 16.983 9.006 1.00 64.25 O ATOM 1031 OD2 ASP A 68 17.485 14.918 8.775 1.00 72.45 O ATOM 0 H ASP A 68 15.847 17.162 4.710 1.00 2.52 H new ATOM 0 HA ASP A 68 17.881 18.112 6.642 1.00 14.42 H new ATOM 0 HB2 ASP A 68 15.791 17.232 7.746 1.00 71.50 H new ATOM 0 HB3 ASP A 68 16.041 15.702 6.928 1.00 71.50 H new ATOM 1036 N GLU A 69 17.896 15.894 4.325 1.00 72.30 N ATOM 1037 CA GLU A 69 18.726 14.969 3.562 1.00 21.03 C ATOM 1038 C GLU A 69 19.216 15.617 2.270 1.00 23.35 C ATOM 1039 O GLU A 69 20.323 15.341 1.805 1.00 30.22 O ATOM 1040 CB GLU A 69 17.945 13.693 3.241 1.00 12.14 C ATOM 1041 CG GLU A 69 16.702 13.935 2.401 1.00 1.34 C ATOM 1042 CD GLU A 69 15.725 12.777 2.458 1.00 14.53 C ATOM 1043 OE1 GLU A 69 16.174 11.617 2.357 1.00 25.35 O ATOM 1044 OE2 GLU A 69 14.511 13.032 2.603 1.00 32.53 O ATOM 0 H GLU A 69 17.029 16.165 3.860 1.00 72.30 H new ATOM 0 HA GLU A 69 19.593 14.712 4.171 1.00 21.03 H new ATOM 0 HB2 GLU A 69 18.600 12.999 2.714 1.00 12.14 H new ATOM 0 HB3 GLU A 69 17.654 13.211 4.174 1.00 12.14 H new ATOM 0 HG2 GLU A 69 16.205 14.842 2.746 1.00 1.34 H new ATOM 0 HG3 GLU A 69 16.996 14.107 1.366 1.00 1.34 H new ATOM 1051 N LEU A 70 18.385 16.479 1.696 1.00 60.35 N ATOM 1052 CA LEU A 70 18.732 17.166 0.457 1.00 43.43 C ATOM 1053 C LEU A 70 18.524 18.671 0.592 1.00 1.34 C ATOM 1054 O LEU A 70 18.347 19.377 -0.401 1.00 33.21 O ATOM 1055 CB LEU A 70 17.892 16.626 -0.702 1.00 45.32 C ATOM 1056 CG LEU A 70 16.476 17.188 -0.823 1.00 55.21 C ATOM 1057 CD1 LEU A 70 15.977 17.074 -2.255 1.00 54.42 C ATOM 1058 CD2 LEU A 70 15.533 16.469 0.131 1.00 62.43 C ATOM 0 H LEU A 70 17.466 16.719 2.068 1.00 60.35 H new ATOM 0 HA LEU A 70 19.786 16.980 0.251 1.00 43.43 H new ATOM 0 HB2 LEU A 70 18.422 16.827 -1.633 1.00 45.32 H new ATOM 0 HB3 LEU A 70 17.824 15.543 -0.601 1.00 45.32 H new ATOM 0 HG LEU A 70 16.500 18.243 -0.551 1.00 55.21 H new ATOM 0 HD11 LEU A 70 14.967 17.479 -2.322 1.00 54.42 H new ATOM 0 HD12 LEU A 70 16.638 17.635 -2.916 1.00 54.42 H new ATOM 0 HD13 LEU A 70 15.968 16.026 -2.555 1.00 54.42 H new ATOM 0 HD21 LEU A 70 14.529 16.882 0.031 1.00 62.43 H new ATOM 0 HD22 LEU A 70 15.513 15.406 -0.109 1.00 62.43 H new ATOM 0 HD23 LEU A 70 15.880 16.603 1.156 1.00 62.43 H new ATOM 1070 N LYS A 71 18.549 19.158 1.829 1.00 70.43 N ATOM 1071 CA LYS A 71 18.367 20.579 2.096 1.00 53.30 C ATOM 1072 C LYS A 71 18.918 21.423 0.951 1.00 11.21 C ATOM 1073 O LYS A 71 18.372 22.477 0.627 1.00 50.21 O ATOM 1074 CB LYS A 71 19.056 20.966 3.406 1.00 25.53 C ATOM 1075 CG LYS A 71 20.054 19.930 3.897 1.00 40.44 C ATOM 1076 CD LYS A 71 21.321 20.583 4.423 1.00 22.25 C ATOM 1077 CE LYS A 71 22.331 20.817 3.311 1.00 44.12 C ATOM 1078 NZ LYS A 71 23.688 20.327 3.681 1.00 1.43 N ATOM 0 H LYS A 71 18.694 18.588 2.662 1.00 70.43 H new ATOM 0 HA LYS A 71 17.298 20.772 2.185 1.00 53.30 H new ATOM 0 HB2 LYS A 71 19.570 21.917 3.269 1.00 25.53 H new ATOM 0 HB3 LYS A 71 18.298 21.121 4.174 1.00 25.53 H new ATOM 0 HG2 LYS A 71 19.599 19.330 4.685 1.00 40.44 H new ATOM 0 HG3 LYS A 71 20.305 19.250 3.083 1.00 40.44 H new ATOM 0 HD2 LYS A 71 21.072 21.533 4.896 1.00 22.25 H new ATOM 0 HD3 LYS A 71 21.765 19.951 5.192 1.00 22.25 H new ATOM 0 HE2 LYS A 71 21.997 20.311 2.405 1.00 44.12 H new ATOM 0 HE3 LYS A 71 22.379 21.882 3.083 1.00 44.12 H new ATOM 0 HZ1 LYS A 71 24.347 20.505 2.897 1.00 1.43 H new ATOM 0 HZ2 LYS A 71 24.018 20.827 4.531 1.00 1.43 H new ATOM 0 HZ3 LYS A 71 23.648 19.306 3.874 1.00 1.43 H new ATOM 1092 N GLU A 72 20.002 20.951 0.342 1.00 15.44 N ATOM 1093 CA GLU A 72 20.625 21.664 -0.767 1.00 31.42 C ATOM 1094 C GLU A 72 19.575 22.375 -1.615 1.00 50.32 C ATOM 1095 O GLU A 72 19.841 23.425 -2.201 1.00 20.02 O ATOM 1096 CB GLU A 72 21.428 20.695 -1.637 1.00 24.21 C ATOM 1097 CG GLU A 72 20.569 19.861 -2.572 1.00 61.12 C ATOM 1098 CD GLU A 72 21.386 18.901 -3.415 1.00 43.11 C ATOM 1099 OE1 GLU A 72 22.204 19.377 -4.230 1.00 43.20 O ATOM 1100 OE2 GLU A 72 21.208 17.675 -3.260 1.00 41.03 O ATOM 0 H GLU A 72 20.466 20.079 0.598 1.00 15.44 H new ATOM 0 HA GLU A 72 21.299 22.413 -0.352 1.00 31.42 H new ATOM 0 HB2 GLU A 72 22.148 21.262 -2.227 1.00 24.21 H new ATOM 0 HB3 GLU A 72 22.000 20.028 -0.991 1.00 24.21 H new ATOM 0 HG2 GLU A 72 19.843 19.297 -1.986 1.00 61.12 H new ATOM 0 HG3 GLU A 72 20.004 20.523 -3.228 1.00 61.12 H new ATOM 1107 N VAL A 73 18.380 21.796 -1.677 1.00 23.51 N ATOM 1108 CA VAL A 73 17.289 22.373 -2.453 1.00 3.34 C ATOM 1109 C VAL A 73 16.593 23.486 -1.678 1.00 4.54 C ATOM 1110 O VAL A 73 16.339 24.564 -2.214 1.00 14.42 O ATOM 1111 CB VAL A 73 16.250 21.305 -2.841 1.00 14.33 C ATOM 1112 CG1 VAL A 73 15.158 21.913 -3.708 1.00 14.12 C ATOM 1113 CG2 VAL A 73 16.922 20.142 -3.553 1.00 61.25 C ATOM 0 H VAL A 73 18.143 20.927 -1.199 1.00 23.51 H new ATOM 0 HA VAL A 73 17.730 22.786 -3.360 1.00 3.34 H new ATOM 0 HB VAL A 73 15.788 20.925 -1.930 1.00 14.33 H new ATOM 0 HG11 VAL A 73 14.433 21.143 -3.973 1.00 14.12 H new ATOM 0 HG12 VAL A 73 14.657 22.709 -3.157 1.00 14.12 H new ATOM 0 HG13 VAL A 73 15.600 22.322 -4.616 1.00 14.12 H new ATOM 0 HG21 VAL A 73 16.173 19.397 -3.820 1.00 61.25 H new ATOM 0 HG22 VAL A 73 17.412 20.503 -4.457 1.00 61.25 H new ATOM 0 HG23 VAL A 73 17.663 19.691 -2.893 1.00 61.25 H new ATOM 1123 N ALA A 74 16.289 23.218 -0.412 1.00 73.22 N ATOM 1124 CA ALA A 74 15.624 24.198 0.438 1.00 23.32 C ATOM 1125 C ALA A 74 16.450 25.475 0.552 1.00 34.13 C ATOM 1126 O ALA A 74 15.907 26.558 0.768 1.00 35.34 O ATOM 1127 CB ALA A 74 15.365 23.610 1.817 1.00 34.23 C ATOM 0 H ALA A 74 16.493 22.330 0.047 1.00 73.22 H new ATOM 0 HA ALA A 74 14.669 24.454 -0.021 1.00 23.32 H new ATOM 0 HB1 ALA A 74 14.868 24.352 2.442 1.00 34.23 H new ATOM 0 HB2 ALA A 74 14.729 22.730 1.724 1.00 34.23 H new ATOM 0 HB3 ALA A 74 16.312 23.326 2.275 1.00 34.23 H new ATOM 1133 N GLU A 75 17.764 25.340 0.406 1.00 30.22 N ATOM 1134 CA GLU A 75 18.663 26.484 0.495 1.00 44.12 C ATOM 1135 C GLU A 75 18.525 27.381 -0.732 1.00 62.00 C ATOM 1136 O GLU A 75 18.674 28.600 -0.645 1.00 24.04 O ATOM 1137 CB GLU A 75 20.112 26.013 0.635 1.00 63.31 C ATOM 1138 CG GLU A 75 20.282 24.844 1.591 1.00 63.22 C ATOM 1139 CD GLU A 75 21.538 24.957 2.433 1.00 12.25 C ATOM 1140 OE1 GLU A 75 21.608 25.878 3.274 1.00 34.43 O ATOM 1141 OE2 GLU A 75 22.451 24.125 2.252 1.00 72.54 O ATOM 0 H GLU A 75 18.229 24.450 0.226 1.00 30.22 H new ATOM 0 HA GLU A 75 18.389 27.061 1.378 1.00 44.12 H new ATOM 0 HB2 GLU A 75 20.489 25.726 -0.347 1.00 63.31 H new ATOM 0 HB3 GLU A 75 20.724 26.846 0.980 1.00 63.31 H new ATOM 0 HG2 GLU A 75 19.413 24.787 2.247 1.00 63.22 H new ATOM 0 HG3 GLU A 75 20.313 23.915 1.021 1.00 63.22 H new ATOM 1148 N LYS A 76 18.240 26.769 -1.876 1.00 75.50 N ATOM 1149 CA LYS A 76 18.080 27.509 -3.122 1.00 1.11 C ATOM 1150 C LYS A 76 16.756 28.267 -3.139 1.00 22.40 C ATOM 1151 O LYS A 76 16.648 29.333 -3.744 1.00 41.32 O ATOM 1152 CB LYS A 76 18.150 26.557 -4.318 1.00 25.22 C ATOM 1153 CG LYS A 76 16.789 26.093 -4.807 1.00 43.10 C ATOM 1154 CD LYS A 76 16.887 24.779 -5.563 1.00 35.41 C ATOM 1155 CE LYS A 76 16.657 24.975 -7.054 1.00 31.43 C ATOM 1156 NZ LYS A 76 17.459 26.106 -7.594 1.00 45.54 N ATOM 0 H LYS A 76 18.115 25.761 -1.966 1.00 75.50 H new ATOM 0 HA LYS A 76 18.893 28.231 -3.193 1.00 1.11 H new ATOM 0 HB2 LYS A 76 18.671 27.053 -5.137 1.00 25.22 H new ATOM 0 HB3 LYS A 76 18.745 25.686 -4.044 1.00 25.22 H new ATOM 0 HG2 LYS A 76 16.117 25.976 -3.957 1.00 43.10 H new ATOM 0 HG3 LYS A 76 16.355 26.855 -5.454 1.00 43.10 H new ATOM 0 HD2 LYS A 76 17.870 24.337 -5.400 1.00 35.41 H new ATOM 0 HD3 LYS A 76 16.153 24.076 -5.170 1.00 35.41 H new ATOM 0 HE2 LYS A 76 16.917 24.059 -7.585 1.00 31.43 H new ATOM 0 HE3 LYS A 76 15.599 25.160 -7.237 1.00 31.43 H new ATOM 0 HZ1 LYS A 76 17.635 25.954 -8.608 1.00 45.54 H new ATOM 0 HZ2 LYS A 76 16.936 26.996 -7.463 1.00 45.54 H new ATOM 0 HZ3 LYS A 76 18.367 26.160 -7.089 1.00 45.54 H new ATOM 1170 N TYR A 77 15.753 27.710 -2.470 1.00 74.55 N ATOM 1171 CA TYR A 77 14.436 28.332 -2.410 1.00 13.41 C ATOM 1172 C TYR A 77 14.257 29.103 -1.106 1.00 2.35 C ATOM 1173 O TYR A 77 13.200 29.680 -0.852 1.00 64.21 O ATOM 1174 CB TYR A 77 13.341 27.273 -2.543 1.00 34.31 C ATOM 1175 CG TYR A 77 13.362 26.543 -3.867 1.00 22.53 C ATOM 1176 CD1 TYR A 77 13.743 27.191 -5.035 1.00 4.54 C ATOM 1177 CD2 TYR A 77 13.002 25.203 -3.949 1.00 62.03 C ATOM 1178 CE1 TYR A 77 13.764 26.528 -6.246 1.00 53.32 C ATOM 1179 CE2 TYR A 77 13.021 24.531 -5.156 1.00 40.45 C ATOM 1180 CZ TYR A 77 13.402 25.198 -6.302 1.00 50.50 C ATOM 1181 OH TYR A 77 13.422 24.534 -7.507 1.00 23.01 O ATOM 0 H TYR A 77 15.827 26.829 -1.962 1.00 74.55 H new ATOM 0 HA TYR A 77 14.356 29.033 -3.240 1.00 13.41 H new ATOM 0 HB2 TYR A 77 13.449 26.548 -1.736 1.00 34.31 H new ATOM 0 HB3 TYR A 77 12.369 27.750 -2.416 1.00 34.31 H new ATOM 0 HD1 TYR A 77 14.028 28.232 -4.995 1.00 4.54 H new ATOM 0 HD2 TYR A 77 12.702 24.678 -3.054 1.00 62.03 H new ATOM 0 HE1 TYR A 77 14.062 27.048 -7.144 1.00 53.32 H new ATOM 0 HE2 TYR A 77 12.739 23.489 -5.202 1.00 40.45 H new ATOM 0 HH TYR A 77 13.141 23.605 -7.373 1.00 23.01 H new ATOM 1191 N ASN A 78 15.300 29.109 -0.282 1.00 20.24 N ATOM 1192 CA ASN A 78 15.260 29.809 0.997 1.00 30.43 C ATOM 1193 C ASN A 78 14.237 29.173 1.933 1.00 34.05 C ATOM 1194 O ASN A 78 13.173 29.739 2.185 1.00 52.45 O ATOM 1195 CB ASN A 78 14.924 31.286 0.784 1.00 71.14 C ATOM 1196 CG ASN A 78 14.748 32.034 2.091 1.00 21.21 C ATOM 1197 OD1 ASN A 78 15.268 31.465 3.173 1.00 65.41 O flip ATOM 1198 ND2 ASN A 78 14.152 33.111 2.128 1.00 73.34 N flip ATOM 0 H ASN A 78 16.183 28.637 -0.477 1.00 20.24 H new ATOM 0 HA ASN A 78 16.245 29.730 1.457 1.00 30.43 H new ATOM 0 HB2 ASN A 78 15.718 31.756 0.204 1.00 71.14 H new ATOM 0 HB3 ASN A 78 14.009 31.367 0.197 1.00 71.14 H new ATOM 0 HD21 ASN A 78 13.768 33.511 1.272 1.00 73.34 H new ATOM 0 HD22 ASN A 78 14.042 33.603 3.015 1.00 73.34 H new ATOM 1246 N MET A 82 10.760 23.679 7.287 1.00 1.24 N ATOM 1247 CA MET A 82 9.320 23.833 7.456 1.00 33.03 C ATOM 1248 C MET A 82 8.565 23.191 6.297 1.00 72.41 C ATOM 1249 O MET A 82 9.107 22.980 5.212 1.00 45.41 O ATOM 1250 CB MET A 82 8.952 25.314 7.561 1.00 2.42 C ATOM 1251 CG MET A 82 8.556 25.938 6.233 1.00 62.24 C ATOM 1252 SD MET A 82 9.063 27.663 6.096 1.00 31.23 S ATOM 1253 CE MET A 82 10.817 27.477 5.787 1.00 63.11 C ATOM 0 HA MET A 82 9.032 23.328 8.378 1.00 33.03 H new ATOM 0 HB2 MET A 82 8.128 25.426 8.266 1.00 2.42 H new ATOM 0 HB3 MET A 82 9.800 25.862 7.972 1.00 2.42 H new ATOM 0 HG2 MET A 82 9.003 25.366 5.420 1.00 62.24 H new ATOM 0 HG3 MET A 82 7.475 25.871 6.113 1.00 62.24 H new ATOM 0 HE1 MET A 82 11.361 28.282 6.282 1.00 63.11 H new ATOM 0 HE2 MET A 82 11.155 26.517 6.177 1.00 63.11 H new ATOM 0 HE3 MET A 82 11.004 27.519 4.714 1.00 63.11 H new ATOM 1263 N PRO A 83 7.283 22.870 6.529 1.00 41.51 N ATOM 1264 CA PRO A 83 6.427 22.248 5.515 1.00 33.32 C ATOM 1265 C PRO A 83 6.084 23.205 4.379 1.00 61.55 C ATOM 1266 O PRO A 83 5.130 22.982 3.631 1.00 5.35 O ATOM 1267 CB PRO A 83 5.165 21.873 6.298 1.00 45.43 C ATOM 1268 CG PRO A 83 5.135 22.825 7.444 1.00 75.32 C ATOM 1269 CD PRO A 83 6.571 23.092 7.799 1.00 41.44 C ATOM 0 HA PRO A 83 6.915 21.400 5.034 1.00 33.32 H new ATOM 0 HB2 PRO A 83 4.272 21.969 5.680 1.00 45.43 H new ATOM 0 HB3 PRO A 83 5.205 20.840 6.642 1.00 45.43 H new ATOM 0 HG2 PRO A 83 4.623 23.748 7.171 1.00 75.32 H new ATOM 0 HG3 PRO A 83 4.596 22.399 8.291 1.00 75.32 H new ATOM 0 HD2 PRO A 83 6.712 24.109 8.166 1.00 41.44 H new ATOM 0 HD3 PRO A 83 6.924 22.419 8.580 1.00 41.44 H new ATOM 1277 N THR A 84 6.868 24.271 4.252 1.00 70.21 N ATOM 1278 CA THR A 84 6.647 25.262 3.207 1.00 41.05 C ATOM 1279 C THR A 84 6.335 24.594 1.872 1.00 22.13 C ATOM 1280 O THR A 84 7.139 23.821 1.351 1.00 61.31 O ATOM 1281 CB THR A 84 7.872 26.179 3.034 1.00 3.53 C ATOM 1282 OG1 THR A 84 7.632 27.442 3.667 1.00 61.52 O ATOM 1283 CG2 THR A 84 8.184 26.396 1.561 1.00 34.11 C ATOM 0 H THR A 84 7.662 24.470 4.860 1.00 70.21 H new ATOM 0 HA THR A 84 5.793 25.863 3.518 1.00 41.05 H new ATOM 0 HB THR A 84 8.729 25.695 3.502 1.00 3.53 H new ATOM 0 HG1 THR A 84 8.422 27.704 4.185 1.00 61.52 H new ATOM 0 HG21 THR A 84 9.053 27.047 1.465 1.00 34.11 H new ATOM 0 HG22 THR A 84 8.395 25.437 1.089 1.00 34.11 H new ATOM 0 HG23 THR A 84 7.327 26.860 1.072 1.00 34.11 H new ATOM 1291 N PHE A 85 5.164 24.897 1.324 1.00 54.25 N ATOM 1292 CA PHE A 85 4.745 24.325 0.049 1.00 44.30 C ATOM 1293 C PHE A 85 5.365 25.088 -1.119 1.00 20.44 C ATOM 1294 O PHE A 85 4.709 25.336 -2.131 1.00 70.32 O ATOM 1295 CB PHE A 85 3.220 24.345 -0.067 1.00 32.41 C ATOM 1296 CG PHE A 85 2.599 22.977 -0.043 1.00 25.12 C ATOM 1297 CD1 PHE A 85 2.853 22.069 -1.058 1.00 73.21 C ATOM 1298 CD2 PHE A 85 1.763 22.600 0.995 1.00 35.41 C ATOM 1299 CE1 PHE A 85 2.284 20.809 -1.039 1.00 12.32 C ATOM 1300 CE2 PHE A 85 1.191 21.341 1.020 1.00 41.40 C ATOM 1301 CZ PHE A 85 1.451 20.446 0.001 1.00 20.42 C ATOM 0 H PHE A 85 4.487 25.536 1.742 1.00 54.25 H new ATOM 0 HA PHE A 85 5.092 23.292 0.011 1.00 44.30 H new ATOM 0 HB2 PHE A 85 2.809 24.936 0.751 1.00 32.41 H new ATOM 0 HB3 PHE A 85 2.941 24.846 -0.994 1.00 32.41 H new ATOM 0 HD1 PHE A 85 3.503 22.349 -1.874 1.00 73.21 H new ATOM 0 HD2 PHE A 85 1.556 23.297 1.794 1.00 35.41 H new ATOM 0 HE1 PHE A 85 2.491 20.110 -1.836 1.00 12.32 H new ATOM 0 HE2 PHE A 85 0.542 21.058 1.835 1.00 41.40 H new ATOM 0 HZ PHE A 85 1.003 19.463 0.017 1.00 20.42 H new ATOM 1311 N LEU A 86 6.632 25.457 -0.970 1.00 3.10 N ATOM 1312 CA LEU A 86 7.342 26.192 -2.011 1.00 62.02 C ATOM 1313 C LEU A 86 6.818 25.820 -3.394 1.00 54.03 C ATOM 1314 O LEU A 86 6.503 24.660 -3.659 1.00 33.40 O ATOM 1315 CB LEU A 86 8.843 25.909 -1.930 1.00 3.05 C ATOM 1316 CG LEU A 86 9.766 27.094 -2.216 1.00 2.12 C ATOM 1317 CD1 LEU A 86 9.166 27.991 -3.287 1.00 42.40 C ATOM 1318 CD2 LEU A 86 10.030 27.884 -0.942 1.00 44.13 C ATOM 0 H LEU A 86 7.189 25.259 -0.139 1.00 3.10 H new ATOM 0 HA LEU A 86 7.170 27.256 -1.851 1.00 62.02 H new ATOM 0 HB2 LEU A 86 9.068 25.532 -0.932 1.00 3.05 H new ATOM 0 HB3 LEU A 86 9.080 25.111 -2.634 1.00 3.05 H new ATOM 0 HG LEU A 86 10.717 26.709 -2.584 1.00 2.12 H new ATOM 0 HD11 LEU A 86 9.837 28.829 -3.477 1.00 42.40 H new ATOM 0 HD12 LEU A 86 9.029 27.420 -4.205 1.00 42.40 H new ATOM 0 HD13 LEU A 86 8.201 28.368 -2.947 1.00 42.40 H new ATOM 0 HD21 LEU A 86 10.689 28.724 -1.164 1.00 44.13 H new ATOM 0 HD22 LEU A 86 9.087 28.258 -0.544 1.00 44.13 H new ATOM 0 HD23 LEU A 86 10.504 27.237 -0.204 1.00 44.13 H new ATOM 1330 N PHE A 87 6.728 26.812 -4.274 1.00 0.10 N ATOM 1331 CA PHE A 87 6.243 26.589 -5.631 1.00 11.20 C ATOM 1332 C PHE A 87 7.305 26.972 -6.658 1.00 33.41 C ATOM 1333 O PHE A 87 8.174 27.801 -6.388 1.00 53.31 O ATOM 1334 CB PHE A 87 4.965 27.395 -5.877 1.00 65.43 C ATOM 1335 CG PHE A 87 3.787 26.907 -5.084 1.00 71.23 C ATOM 1336 CD1 PHE A 87 3.758 27.045 -3.706 1.00 14.11 C ATOM 1337 CD2 PHE A 87 2.708 26.310 -5.717 1.00 42.51 C ATOM 1338 CE1 PHE A 87 2.675 26.596 -2.974 1.00 14.32 C ATOM 1339 CE2 PHE A 87 1.622 25.860 -4.990 1.00 41.13 C ATOM 1340 CZ PHE A 87 1.605 26.004 -3.617 1.00 1.22 C ATOM 0 H PHE A 87 6.985 27.778 -4.071 1.00 0.10 H new ATOM 0 HA PHE A 87 6.022 25.527 -5.742 1.00 11.20 H new ATOM 0 HB2 PHE A 87 5.151 28.440 -5.630 1.00 65.43 H new ATOM 0 HB3 PHE A 87 4.719 27.357 -6.938 1.00 65.43 H new ATOM 0 HD1 PHE A 87 4.591 27.509 -3.198 1.00 14.11 H new ATOM 0 HD2 PHE A 87 2.716 26.195 -6.791 1.00 42.51 H new ATOM 0 HE1 PHE A 87 2.665 26.708 -1.900 1.00 14.32 H new ATOM 0 HE2 PHE A 87 0.788 25.396 -5.495 1.00 41.13 H new ATOM 0 HZ PHE A 87 0.757 25.655 -3.047 1.00 1.22 H new ATOM 1350 N ILE A 88 7.228 26.360 -7.835 1.00 52.41 N ATOM 1351 CA ILE A 88 8.181 26.637 -8.903 1.00 22.35 C ATOM 1352 C ILE A 88 7.483 26.715 -10.256 1.00 44.21 C ATOM 1353 O ILE A 88 7.505 25.762 -11.035 1.00 24.11 O ATOM 1354 CB ILE A 88 9.282 25.561 -8.967 1.00 11.44 C ATOM 1355 CG1 ILE A 88 9.819 25.266 -7.565 1.00 2.43 C ATOM 1356 CG2 ILE A 88 10.407 26.009 -9.888 1.00 11.24 C ATOM 1357 CD1 ILE A 88 10.874 26.248 -7.103 1.00 32.40 C ATOM 0 H ILE A 88 6.516 25.670 -8.073 1.00 52.41 H new ATOM 0 HA ILE A 88 8.638 27.600 -8.677 1.00 22.35 H new ATOM 0 HB ILE A 88 8.851 24.645 -9.371 1.00 11.44 H new ATOM 0 HG12 ILE A 88 8.990 25.276 -6.858 1.00 2.43 H new ATOM 0 HG13 ILE A 88 10.239 24.260 -7.550 1.00 2.43 H new ATOM 0 HG21 ILE A 88 11.177 25.239 -9.923 1.00 11.24 H new ATOM 0 HG22 ILE A 88 10.013 26.174 -10.891 1.00 11.24 H new ATOM 0 HG23 ILE A 88 10.838 26.936 -9.511 1.00 11.24 H new ATOM 0 HD11 ILE A 88 11.209 25.978 -6.102 1.00 32.40 H new ATOM 0 HD12 ILE A 88 11.721 26.221 -7.789 1.00 32.40 H new ATOM 0 HD13 ILE A 88 10.453 27.253 -7.086 1.00 32.40 H new ATOM 1369 N LYS A 89 6.865 27.859 -10.532 1.00 24.25 N ATOM 1370 CA LYS A 89 6.163 28.065 -11.793 1.00 1.15 C ATOM 1371 C LYS A 89 7.137 28.454 -12.900 1.00 53.43 C ATOM 1372 O LYS A 89 7.858 29.445 -12.785 1.00 43.25 O ATOM 1373 CB LYS A 89 5.095 29.149 -11.634 1.00 11.45 C ATOM 1374 CG LYS A 89 4.670 29.782 -12.947 1.00 73.45 C ATOM 1375 CD LYS A 89 3.157 29.843 -13.073 1.00 14.11 C ATOM 1376 CE LYS A 89 2.519 30.456 -11.835 1.00 62.32 C ATOM 1377 NZ LYS A 89 1.432 31.411 -12.186 1.00 42.13 N ATOM 0 H LYS A 89 6.836 28.658 -9.898 1.00 24.25 H new ATOM 0 HA LYS A 89 5.681 27.127 -12.070 1.00 1.15 H new ATOM 0 HB2 LYS A 89 4.220 28.717 -11.149 1.00 11.45 H new ATOM 0 HB3 LYS A 89 5.475 29.927 -10.972 1.00 11.45 H new ATOM 0 HG2 LYS A 89 5.083 30.788 -13.017 1.00 73.45 H new ATOM 0 HG3 LYS A 89 5.082 29.210 -13.778 1.00 73.45 H new ATOM 0 HD2 LYS A 89 2.887 30.430 -13.951 1.00 14.11 H new ATOM 0 HD3 LYS A 89 2.763 28.839 -13.227 1.00 14.11 H new ATOM 0 HE2 LYS A 89 2.116 29.664 -11.204 1.00 62.32 H new ATOM 0 HE3 LYS A 89 3.281 30.972 -11.251 1.00 62.32 H new ATOM 0 HZ1 LYS A 89 1.023 31.807 -11.315 1.00 42.13 H new ATOM 0 HZ2 LYS A 89 1.821 32.181 -12.767 1.00 42.13 H new ATOM 0 HZ3 LYS A 89 0.692 30.913 -12.721 1.00 42.13 H new ATOM 1391 N ASP A 90 7.151 27.670 -13.972 1.00 75.31 N ATOM 1392 CA ASP A 90 8.034 27.934 -15.102 1.00 12.11 C ATOM 1393 C ASP A 90 9.430 27.375 -14.843 1.00 15.51 C ATOM 1394 O ASP A 90 10.252 27.284 -15.754 1.00 15.04 O ATOM 1395 CB ASP A 90 8.115 29.437 -15.373 1.00 13.34 C ATOM 1396 CG ASP A 90 8.370 29.749 -16.834 1.00 5.51 C ATOM 1397 OD1 ASP A 90 9.220 29.069 -17.446 1.00 44.34 O ATOM 1398 OD2 ASP A 90 7.720 30.673 -17.365 1.00 41.34 O ATOM 0 H ASP A 90 6.560 26.846 -14.082 1.00 75.31 H new ATOM 0 HA ASP A 90 7.620 27.436 -15.979 1.00 12.11 H new ATOM 0 HB2 ASP A 90 7.184 29.910 -15.061 1.00 13.34 H new ATOM 0 HB3 ASP A 90 8.911 29.870 -14.768 1.00 13.34 H new ATOM 1403 N GLY A 91 9.690 27.004 -13.593 1.00 64.21 N ATOM 1404 CA GLY A 91 10.988 26.460 -13.236 1.00 53.23 C ATOM 1405 C GLY A 91 11.863 27.470 -12.521 1.00 13.14 C ATOM 1406 O GLY A 91 13.034 27.636 -12.859 1.00 1.52 O ATOM 0 H GLY A 91 9.026 27.070 -12.822 1.00 64.21 H new ATOM 0 HA2 GLY A 91 10.850 25.587 -12.598 1.00 53.23 H new ATOM 0 HA3 GLY A 91 11.496 26.118 -14.138 1.00 53.23 H new ATOM 1410 N ALA A 92 11.292 28.147 -11.529 1.00 45.45 N ATOM 1411 CA ALA A 92 12.029 29.146 -10.764 1.00 55.02 C ATOM 1412 C ALA A 92 11.492 29.251 -9.341 1.00 5.45 C ATOM 1413 O ALA A 92 11.958 28.554 -8.440 1.00 34.02 O ATOM 1414 CB ALA A 92 11.960 30.499 -11.458 1.00 34.44 C ATOM 0 H ALA A 92 10.323 28.022 -11.237 1.00 45.45 H new ATOM 0 HA ALA A 92 13.071 28.831 -10.710 1.00 55.02 H new ATOM 0 HB1 ALA A 92 12.514 31.235 -10.876 1.00 34.44 H new ATOM 0 HB2 ALA A 92 12.397 30.420 -12.454 1.00 34.44 H new ATOM 0 HB3 ALA A 92 10.919 30.812 -11.542 1.00 34.44 H new ATOM 1420 N GLU A 93 10.512 30.128 -9.145 1.00 44.24 N ATOM 1421 CA GLU A 93 9.915 30.325 -7.830 1.00 20.12 C ATOM 1422 C GLU A 93 8.697 31.241 -7.917 1.00 24.44 C ATOM 1423 O GLU A 93 8.830 32.457 -8.045 1.00 44.24 O ATOM 1424 CB GLU A 93 10.943 30.915 -6.862 1.00 34.14 C ATOM 1425 CG GLU A 93 10.642 30.621 -5.402 1.00 12.25 C ATOM 1426 CD GLU A 93 11.879 30.682 -4.527 1.00 43.32 C ATOM 1427 OE1 GLU A 93 12.978 30.365 -5.029 1.00 55.15 O ATOM 1428 OE2 GLU A 93 11.749 31.048 -3.340 1.00 73.11 O ATOM 0 H GLU A 93 10.115 30.713 -9.880 1.00 44.24 H new ATOM 0 HA GLU A 93 9.591 29.353 -7.457 1.00 20.12 H new ATOM 0 HB2 GLU A 93 11.929 30.521 -7.108 1.00 34.14 H new ATOM 0 HB3 GLU A 93 10.987 31.995 -7.005 1.00 34.14 H new ATOM 0 HG2 GLU A 93 9.907 31.337 -5.035 1.00 12.25 H new ATOM 0 HG3 GLU A 93 10.192 29.632 -5.320 1.00 12.25 H new ATOM 1435 N ALA A 94 7.511 30.646 -7.846 1.00 30.14 N ATOM 1436 CA ALA A 94 6.270 31.407 -7.915 1.00 33.15 C ATOM 1437 C ALA A 94 5.854 31.906 -6.535 1.00 4.12 C ATOM 1438 O ALA A 94 5.264 32.979 -6.404 1.00 23.41 O ATOM 1439 CB ALA A 94 5.164 30.559 -8.526 1.00 1.10 C ATOM 0 H ALA A 94 7.384 29.639 -7.741 1.00 30.14 H new ATOM 0 HA ALA A 94 6.441 32.276 -8.551 1.00 33.15 H new ATOM 0 HB1 ALA A 94 4.243 31.140 -8.571 1.00 1.10 H new ATOM 0 HB2 ALA A 94 5.452 30.256 -9.533 1.00 1.10 H new ATOM 0 HB3 ALA A 94 5.004 29.673 -7.912 1.00 1.10 H new ATOM 1445 N ASP A 95 6.166 31.122 -5.509 1.00 34.32 N ATOM 1446 CA ASP A 95 5.825 31.485 -4.138 1.00 71.40 C ATOM 1447 C ASP A 95 5.763 30.247 -3.248 1.00 5.43 C ATOM 1448 O ASP A 95 5.970 29.125 -3.710 1.00 41.22 O ATOM 1449 CB ASP A 95 4.485 32.222 -4.101 1.00 63.20 C ATOM 1450 CG ASP A 95 4.654 33.727 -4.046 1.00 44.42 C ATOM 1451 OD1 ASP A 95 5.545 34.197 -3.308 1.00 42.52 O ATOM 1452 OD2 ASP A 95 3.895 34.436 -4.741 1.00 24.24 O ATOM 0 H ASP A 95 6.654 30.231 -5.600 1.00 34.32 H new ATOM 0 HA ASP A 95 6.605 32.145 -3.758 1.00 71.40 H new ATOM 0 HB2 ASP A 95 3.903 31.957 -4.984 1.00 63.20 H new ATOM 0 HB3 ASP A 95 3.915 31.891 -3.232 1.00 63.20 H new ATOM 1457 N LYS A 96 5.479 30.460 -1.967 1.00 61.23 N ATOM 1458 CA LYS A 96 5.390 29.363 -1.011 1.00 1.04 C ATOM 1459 C LYS A 96 4.156 29.511 -0.126 1.00 42.32 C ATOM 1460 O LYS A 96 3.452 30.519 -0.190 1.00 32.10 O ATOM 1461 CB LYS A 96 6.650 29.312 -0.143 1.00 14.52 C ATOM 1462 CG LYS A 96 6.835 30.540 0.732 1.00 31.14 C ATOM 1463 CD LYS A 96 7.914 31.458 0.184 1.00 50.33 C ATOM 1464 CE LYS A 96 9.298 31.035 0.653 1.00 74.25 C ATOM 1465 NZ LYS A 96 9.811 31.920 1.735 1.00 64.45 N ATOM 0 H LYS A 96 5.307 31.383 -1.567 1.00 61.23 H new ATOM 0 HA LYS A 96 5.304 28.432 -1.571 1.00 1.04 H new ATOM 0 HB2 LYS A 96 6.608 28.427 0.492 1.00 14.52 H new ATOM 0 HB3 LYS A 96 7.521 29.201 -0.788 1.00 14.52 H new ATOM 0 HG2 LYS A 96 5.893 31.084 0.800 1.00 31.14 H new ATOM 0 HG3 LYS A 96 7.098 30.231 1.743 1.00 31.14 H new ATOM 0 HD2 LYS A 96 7.880 31.451 -0.905 1.00 50.33 H new ATOM 0 HD3 LYS A 96 7.718 32.482 0.502 1.00 50.33 H new ATOM 0 HE2 LYS A 96 9.261 30.006 1.012 1.00 74.25 H new ATOM 0 HE3 LYS A 96 9.989 31.054 -0.190 1.00 74.25 H new ATOM 0 HZ1 LYS A 96 10.756 31.599 2.027 1.00 64.45 H new ATOM 0 HZ2 LYS A 96 9.870 32.898 1.385 1.00 64.45 H new ATOM 0 HZ3 LYS A 96 9.165 31.882 2.550 1.00 64.45 H new ATOM 1479 N VAL A 97 3.901 28.502 0.700 1.00 72.42 N ATOM 1480 CA VAL A 97 2.753 28.521 1.599 1.00 5.02 C ATOM 1481 C VAL A 97 3.087 27.857 2.930 1.00 21.41 C ATOM 1482 O VAL A 97 3.664 28.481 3.821 1.00 63.24 O ATOM 1483 CB VAL A 97 1.538 27.811 0.974 1.00 61.11 C ATOM 1484 CG1 VAL A 97 0.472 27.550 2.027 1.00 60.30 C ATOM 1485 CG2 VAL A 97 0.974 28.633 -0.175 1.00 1.21 C ATOM 0 H VAL A 97 4.474 27.661 0.766 1.00 72.42 H new ATOM 0 HA VAL A 97 2.503 29.568 1.771 1.00 5.02 H new ATOM 0 HB VAL A 97 1.865 26.850 0.577 1.00 61.11 H new ATOM 0 HG11 VAL A 97 -0.379 27.048 1.567 1.00 60.30 H new ATOM 0 HG12 VAL A 97 0.884 26.918 2.813 1.00 60.30 H new ATOM 0 HG13 VAL A 97 0.145 28.497 2.457 1.00 60.30 H new ATOM 0 HG21 VAL A 97 0.116 28.116 -0.605 1.00 1.21 H new ATOM 0 HG22 VAL A 97 0.662 29.609 0.195 1.00 1.21 H new ATOM 0 HG23 VAL A 97 1.740 28.763 -0.940 1.00 1.21 H new ATOM 1495 N VAL A 98 2.720 26.585 3.059 1.00 4.41 N ATOM 1496 CA VAL A 98 2.982 25.834 4.281 1.00 1.52 C ATOM 1497 C VAL A 98 2.114 24.584 4.354 1.00 34.42 C ATOM 1498 O VAL A 98 0.890 24.657 4.244 1.00 5.02 O ATOM 1499 CB VAL A 98 2.730 26.695 5.534 1.00 60.15 C ATOM 1500 CG1 VAL A 98 2.058 25.871 6.621 1.00 13.12 C ATOM 1501 CG2 VAL A 98 4.033 27.296 6.037 1.00 4.15 C ATOM 0 H VAL A 98 2.241 26.054 2.332 1.00 4.41 H new ATOM 0 HA VAL A 98 4.032 25.543 4.255 1.00 1.52 H new ATOM 0 HB VAL A 98 2.060 27.512 5.265 1.00 60.15 H new ATOM 0 HG11 VAL A 98 1.888 26.495 7.498 1.00 13.12 H new ATOM 0 HG12 VAL A 98 1.104 25.493 6.254 1.00 13.12 H new ATOM 0 HG13 VAL A 98 2.700 25.033 6.891 1.00 13.12 H new ATOM 0 HG21 VAL A 98 3.837 27.901 6.922 1.00 4.15 H new ATOM 0 HG22 VAL A 98 4.728 26.496 6.291 1.00 4.15 H new ATOM 0 HG23 VAL A 98 4.469 27.922 5.259 1.00 4.15 H new ATOM 1511 N GLY A 99 2.755 23.434 4.541 1.00 3.12 N ATOM 1512 CA GLY A 99 2.026 22.183 4.626 1.00 33.43 C ATOM 1513 C GLY A 99 1.307 22.019 5.951 1.00 43.10 C ATOM 1514 O GLY A 99 1.418 20.980 6.601 1.00 63.02 O ATOM 0 H GLY A 99 3.767 23.347 4.635 1.00 3.12 H new ATOM 0 HA2 GLY A 99 1.301 22.133 3.814 1.00 33.43 H new ATOM 0 HA3 GLY A 99 2.718 21.353 4.487 1.00 33.43 H new ATOM 1518 N ALA A 100 0.570 23.049 6.353 1.00 33.23 N ATOM 1519 CA ALA A 100 -0.170 23.014 7.609 1.00 3.50 C ATOM 1520 C ALA A 100 -1.390 23.927 7.553 1.00 42.52 C ATOM 1521 O ALA A 100 -2.016 24.206 8.575 1.00 31.25 O ATOM 1522 CB ALA A 100 0.736 23.411 8.766 1.00 52.03 C ATOM 0 H ALA A 100 0.469 23.918 5.828 1.00 33.23 H new ATOM 0 HA ALA A 100 -0.519 21.994 7.768 1.00 3.50 H new ATOM 0 HB1 ALA A 100 0.171 23.381 9.698 1.00 52.03 H new ATOM 0 HB2 ALA A 100 1.574 22.716 8.827 1.00 52.03 H new ATOM 0 HB3 ALA A 100 1.113 24.421 8.603 1.00 52.03 H new ATOM 1528 N ARG A 101 -1.721 24.391 6.352 1.00 14.12 N ATOM 1529 CA ARG A 101 -2.866 25.275 6.164 1.00 63.53 C ATOM 1530 C ARG A 101 -3.843 24.689 5.148 1.00 2.41 C ATOM 1531 O ARG A 101 -3.545 24.612 3.956 1.00 5.51 O ATOM 1532 CB ARG A 101 -2.400 26.656 5.701 1.00 5.34 C ATOM 1533 CG ARG A 101 -1.393 27.304 6.638 1.00 44.23 C ATOM 1534 CD ARG A 101 -1.820 27.175 8.091 1.00 31.33 C ATOM 1535 NE ARG A 101 -1.549 28.391 8.852 1.00 3.40 N ATOM 1536 CZ ARG A 101 -2.355 29.447 8.862 1.00 41.21 C ATOM 1537 NH1 ARG A 101 -3.477 29.435 8.156 1.00 51.10 N ATOM 1538 NH2 ARG A 101 -2.039 30.518 9.579 1.00 32.24 N ATOM 0 H ARG A 101 -1.213 24.170 5.495 1.00 14.12 H new ATOM 0 HA ARG A 101 -3.379 25.374 7.121 1.00 63.53 H new ATOM 0 HB2 ARG A 101 -1.956 26.567 4.709 1.00 5.34 H new ATOM 0 HB3 ARG A 101 -3.267 27.309 5.605 1.00 5.34 H new ATOM 0 HG2 ARG A 101 -0.417 26.839 6.502 1.00 44.23 H new ATOM 0 HG3 ARG A 101 -1.283 28.358 6.382 1.00 44.23 H new ATOM 0 HD2 ARG A 101 -2.885 26.949 8.137 1.00 31.33 H new ATOM 0 HD3 ARG A 101 -1.296 26.336 8.550 1.00 31.33 H new ATOM 0 HE ARG A 101 -0.694 28.432 9.406 1.00 3.40 H new ATOM 0 HH11 ARG A 101 -3.723 28.614 7.603 1.00 51.10 H new ATOM 0 HH12 ARG A 101 -4.094 30.247 8.165 1.00 51.10 H new ATOM 0 HH21 ARG A 101 -1.176 30.531 10.123 1.00 32.24 H new ATOM 0 HH22 ARG A 101 -2.659 31.328 9.586 1.00 32.24 H new ATOM 1552 N LYS A 102 -5.011 24.277 5.628 1.00 11.54 N ATOM 1553 CA LYS A 102 -6.033 23.700 4.764 1.00 34.21 C ATOM 1554 C LYS A 102 -6.816 24.792 4.042 1.00 35.15 C ATOM 1555 O LYS A 102 -7.738 24.506 3.278 1.00 71.01 O ATOM 1556 CB LYS A 102 -6.989 22.828 5.582 1.00 0.00 C ATOM 1557 CG LYS A 102 -7.503 21.615 4.827 1.00 62.35 C ATOM 1558 CD LYS A 102 -8.804 21.918 4.102 1.00 5.52 C ATOM 1559 CE LYS A 102 -9.746 20.725 4.124 1.00 21.24 C ATOM 1560 NZ LYS A 102 -11.112 21.105 4.579 1.00 21.14 N ATOM 0 H LYS A 102 -5.273 24.332 6.612 1.00 11.54 H new ATOM 0 HA LYS A 102 -5.535 23.081 4.018 1.00 34.21 H new ATOM 0 HB2 LYS A 102 -6.479 22.494 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.837 23.434 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.752 21.288 4.107 1.00 62.35 H new ATOM 0 HG3 LYS A 102 -7.657 20.791 5.523 1.00 62.35 H new ATOM 0 HD2 LYS A 102 -9.290 22.775 4.568 1.00 5.52 H new ATOM 0 HD3 LYS A 102 -8.590 22.195 3.070 1.00 5.52 H new ATOM 0 HE2 LYS A 102 -9.804 20.289 3.126 1.00 21.24 H new ATOM 0 HE3 LYS A 102 -9.344 19.957 4.785 1.00 21.24 H new ATOM 0 HZ1 LYS A 102 -11.724 20.264 4.580 1.00 21.14 H new ATOM 0 HZ2 LYS A 102 -11.061 21.497 5.541 1.00 21.14 H new ATOM 0 HZ3 LYS A 102 -11.506 21.819 3.934 1.00 21.14 H new ATOM 1574 N ASP A 103 -6.443 26.043 4.289 1.00 30.44 N ATOM 1575 CA ASP A 103 -7.109 27.178 3.661 1.00 61.41 C ATOM 1576 C ASP A 103 -6.106 28.048 2.909 1.00 75.41 C ATOM 1577 O ASP A 103 -6.487 28.983 2.204 1.00 21.24 O ATOM 1578 CB ASP A 103 -7.840 28.013 4.712 1.00 13.35 C ATOM 1579 CG ASP A 103 -8.506 29.239 4.118 1.00 45.02 C ATOM 1580 OD1 ASP A 103 -9.642 29.113 3.615 1.00 62.31 O ATOM 1581 OD2 ASP A 103 -7.890 30.325 4.156 1.00 32.21 O ATOM 0 H ASP A 103 -5.683 26.297 4.920 1.00 30.44 H new ATOM 0 HA ASP A 103 -7.836 26.792 2.946 1.00 61.41 H new ATOM 0 HB2 ASP A 103 -8.593 27.396 5.202 1.00 13.35 H new ATOM 0 HB3 ASP A 103 -7.133 28.324 5.481 1.00 13.35 H new ATOM 1586 N ASP A 104 -4.825 27.734 3.065 1.00 71.24 N ATOM 1587 CA ASP A 104 -3.767 28.487 2.400 1.00 34.25 C ATOM 1588 C ASP A 104 -3.157 27.677 1.261 1.00 21.31 C ATOM 1589 O ASP A 104 -2.502 28.227 0.375 1.00 4.32 O ATOM 1590 CB ASP A 104 -2.682 28.876 3.405 1.00 44.22 C ATOM 1591 CG ASP A 104 -2.101 30.249 3.127 1.00 71.14 C ATOM 1592 OD1 ASP A 104 -1.921 30.587 1.938 1.00 44.40 O ATOM 1593 OD2 ASP A 104 -1.828 30.985 4.098 1.00 72.04 O ATOM 0 H ASP A 104 -4.494 26.964 3.646 1.00 71.24 H new ATOM 0 HA ASP A 104 -4.206 29.393 1.982 1.00 34.25 H new ATOM 0 HB2 ASP A 104 -3.100 28.858 4.412 1.00 44.22 H new ATOM 0 HB3 ASP A 104 -1.883 28.135 3.378 1.00 44.22 H new ATOM 1598 N LEU A 105 -3.375 26.367 1.290 1.00 31.35 N ATOM 1599 CA LEU A 105 -2.846 25.480 0.261 1.00 64.55 C ATOM 1600 C LEU A 105 -3.699 25.541 -1.002 1.00 62.03 C ATOM 1601 O LEU A 105 -3.301 26.138 -2.002 1.00 60.45 O ATOM 1602 CB LEU A 105 -2.785 24.042 0.780 1.00 74.14 C ATOM 1603 CG LEU A 105 -2.460 22.967 -0.258 1.00 32.31 C ATOM 1604 CD1 LEU A 105 -1.029 23.117 -0.751 1.00 75.53 C ATOM 1605 CD2 LEU A 105 -2.683 21.579 0.325 1.00 62.33 C ATOM 0 H LEU A 105 -3.915 25.896 2.016 1.00 31.35 H new ATOM 0 HA LEU A 105 -1.838 25.813 0.013 1.00 64.55 H new ATOM 0 HB2 LEU A 105 -2.036 23.994 1.570 1.00 74.14 H new ATOM 0 HB3 LEU A 105 -3.745 23.800 1.236 1.00 74.14 H new ATOM 0 HG LEU A 105 -3.130 23.094 -1.108 1.00 32.31 H new ATOM 0 HD11 LEU A 105 -0.815 22.344 -1.489 1.00 75.53 H new ATOM 0 HD12 LEU A 105 -0.902 24.099 -1.207 1.00 75.53 H new ATOM 0 HD13 LEU A 105 -0.342 23.016 0.089 1.00 75.53 H new ATOM 0 HD21 LEU A 105 -2.447 20.826 -0.427 1.00 62.33 H new ATOM 0 HD22 LEU A 105 -2.037 21.441 1.192 1.00 62.33 H new ATOM 0 HD23 LEU A 105 -3.725 21.475 0.628 1.00 62.33 H new ATOM 1617 N GLN A 106 -4.874 24.922 -0.947 1.00 42.11 N ATOM 1618 CA GLN A 106 -5.784 24.908 -2.087 1.00 4.35 C ATOM 1619 C GLN A 106 -5.984 26.315 -2.641 1.00 5.14 C ATOM 1620 O GLN A 106 -6.435 26.489 -3.772 1.00 30.43 O ATOM 1621 CB GLN A 106 -7.132 24.310 -1.682 1.00 51.21 C ATOM 1622 CG GLN A 106 -7.873 25.131 -0.639 1.00 55.02 C ATOM 1623 CD GLN A 106 -7.020 25.441 0.574 1.00 5.52 C ATOM 1624 OE1 GLN A 106 -6.868 26.601 0.961 1.00 31.40 O ATOM 1625 NE2 GLN A 106 -6.456 24.405 1.183 1.00 62.53 N ATOM 0 H GLN A 106 -5.218 24.424 -0.126 1.00 42.11 H new ATOM 0 HA GLN A 106 -5.340 24.290 -2.867 1.00 4.35 H new ATOM 0 HB2 GLN A 106 -7.758 24.214 -2.569 1.00 51.21 H new ATOM 0 HB3 GLN A 106 -6.972 23.304 -1.294 1.00 51.21 H new ATOM 0 HG2 GLN A 106 -8.210 26.065 -1.089 1.00 55.02 H new ATOM 0 HG3 GLN A 106 -8.765 24.590 -0.323 1.00 55.02 H new ATOM 0 HE21 GLN A 106 -6.608 23.461 0.829 1.00 62.53 H new ATOM 0 HE22 GLN A 106 -5.870 24.553 2.005 1.00 62.53 H new ATOM 1634 N ASN A 107 -5.645 27.317 -1.835 1.00 65.43 N ATOM 1635 CA ASN A 107 -5.788 28.709 -2.245 1.00 61.12 C ATOM 1636 C ASN A 107 -4.625 29.137 -3.135 1.00 61.52 C ATOM 1637 O ASN A 107 -4.792 29.943 -4.051 1.00 74.30 O ATOM 1638 CB ASN A 107 -5.866 29.618 -1.017 1.00 51.22 C ATOM 1639 CG ASN A 107 -5.252 30.982 -1.268 1.00 11.14 C ATOM 1640 OD1 ASN A 107 -5.842 31.826 -1.943 1.00 3.15 O ATOM 1641 ND2 ASN A 107 -4.061 31.203 -0.724 1.00 11.55 N ATOM 0 H ASN A 107 -5.270 27.190 -0.895 1.00 65.43 H new ATOM 0 HA ASN A 107 -6.712 28.800 -2.816 1.00 61.12 H new ATOM 0 HB2 ASN A 107 -6.909 29.740 -0.724 1.00 51.22 H new ATOM 0 HB3 ASN A 107 -5.354 29.140 -0.181 1.00 51.22 H new ATOM 0 HD21 ASN A 107 -3.598 32.102 -0.858 1.00 11.55 H new ATOM 0 HD22 ASN A 107 -3.609 30.474 -0.172 1.00 11.55 H new ATOM 1648 N THR A 108 -3.444 28.590 -2.860 1.00 53.33 N ATOM 1649 CA THR A 108 -2.253 28.915 -3.635 1.00 31.23 C ATOM 1650 C THR A 108 -2.195 28.100 -4.921 1.00 62.54 C ATOM 1651 O THR A 108 -1.769 28.598 -5.964 1.00 74.21 O ATOM 1652 CB THR A 108 -0.969 28.663 -2.822 1.00 60.02 C ATOM 1653 OG1 THR A 108 -0.772 29.721 -1.877 1.00 63.34 O ATOM 1654 CG2 THR A 108 0.241 28.563 -3.739 1.00 53.11 C ATOM 0 H THR A 108 -3.287 27.920 -2.107 1.00 53.33 H new ATOM 0 HA THR A 108 -2.316 29.975 -3.883 1.00 31.23 H new ATOM 0 HB THR A 108 -1.081 27.718 -2.290 1.00 60.02 H new ATOM 0 HG1 THR A 108 -0.002 30.263 -2.148 1.00 63.34 H new ATOM 0 HG21 THR A 108 1.136 28.385 -3.143 1.00 53.11 H new ATOM 0 HG22 THR A 108 0.101 27.738 -4.438 1.00 53.11 H new ATOM 0 HG23 THR A 108 0.355 29.494 -4.294 1.00 53.11 H new ATOM 1662 N ILE A 109 -2.625 26.845 -4.841 1.00 72.04 N ATOM 1663 CA ILE A 109 -2.623 25.962 -6.001 1.00 72.20 C ATOM 1664 C ILE A 109 -3.575 26.468 -7.080 1.00 2.55 C ATOM 1665 O ILE A 109 -3.394 26.187 -8.264 1.00 42.43 O ATOM 1666 CB ILE A 109 -3.021 24.525 -5.615 1.00 31.00 C ATOM 1667 CG1 ILE A 109 -1.840 23.803 -4.964 1.00 65.34 C ATOM 1668 CG2 ILE A 109 -3.506 23.763 -6.839 1.00 60.31 C ATOM 1669 CD1 ILE A 109 -1.726 24.049 -3.476 1.00 43.23 C ATOM 0 H ILE A 109 -2.979 26.417 -3.985 1.00 72.04 H new ATOM 0 HA ILE A 109 -1.605 25.957 -6.391 1.00 72.20 H new ATOM 0 HB ILE A 109 -3.837 24.571 -4.893 1.00 31.00 H new ATOM 0 HG12 ILE A 109 -1.938 22.732 -5.140 1.00 65.34 H new ATOM 0 HG13 ILE A 109 -0.917 24.123 -5.448 1.00 65.34 H new ATOM 0 HG21 ILE A 109 -3.784 22.749 -6.550 1.00 60.31 H new ATOM 0 HG22 ILE A 109 -4.373 24.270 -7.263 1.00 60.31 H new ATOM 0 HG23 ILE A 109 -2.710 23.723 -7.582 1.00 60.31 H new ATOM 0 HD11 ILE A 109 -0.867 23.506 -3.082 1.00 43.23 H new ATOM 0 HD12 ILE A 109 -1.596 25.116 -3.292 1.00 43.23 H new ATOM 0 HD13 ILE A 109 -2.633 23.703 -2.979 1.00 43.23 H new ATOM 1681 N VAL A 110 -4.589 27.219 -6.661 1.00 71.01 N ATOM 1682 CA VAL A 110 -5.568 27.768 -7.591 1.00 53.23 C ATOM 1683 C VAL A 110 -5.015 28.992 -8.313 1.00 22.21 C ATOM 1684 O VAL A 110 -5.384 29.274 -9.453 1.00 42.01 O ATOM 1685 CB VAL A 110 -6.872 28.158 -6.869 1.00 23.31 C ATOM 1686 CG1 VAL A 110 -7.517 26.935 -6.235 1.00 22.04 C ATOM 1687 CG2 VAL A 110 -6.601 29.230 -5.825 1.00 14.35 C ATOM 0 H VAL A 110 -4.754 27.461 -5.684 1.00 71.01 H new ATOM 0 HA VAL A 110 -5.784 26.987 -8.319 1.00 53.23 H new ATOM 0 HB VAL A 110 -7.567 28.566 -7.603 1.00 23.31 H new ATOM 0 HG11 VAL A 110 -8.437 27.230 -5.730 1.00 22.04 H new ATOM 0 HG12 VAL A 110 -7.747 26.203 -7.009 1.00 22.04 H new ATOM 0 HG13 VAL A 110 -6.830 26.495 -5.512 1.00 22.04 H new ATOM 0 HG21 VAL A 110 -7.533 29.494 -5.324 1.00 14.35 H new ATOM 0 HG22 VAL A 110 -5.889 28.852 -5.091 1.00 14.35 H new ATOM 0 HG23 VAL A 110 -6.187 30.114 -6.310 1.00 14.35 H new ATOM 1697 N LYS A 111 -4.126 29.716 -7.641 1.00 52.12 N ATOM 1698 CA LYS A 111 -3.519 30.910 -8.218 1.00 23.33 C ATOM 1699 C LYS A 111 -2.391 30.538 -9.175 1.00 5.14 C ATOM 1700 O LYS A 111 -2.104 31.267 -10.125 1.00 24.11 O ATOM 1701 CB LYS A 111 -2.983 31.820 -7.110 1.00 52.12 C ATOM 1702 CG LYS A 111 -1.494 31.661 -6.859 1.00 21.43 C ATOM 1703 CD LYS A 111 -1.137 31.964 -5.413 1.00 62.22 C ATOM 1704 CE LYS A 111 -0.684 33.406 -5.241 1.00 75.25 C ATOM 1705 NZ LYS A 111 0.490 33.514 -4.333 1.00 4.11 N ATOM 0 H LYS A 111 -3.810 29.497 -6.696 1.00 52.12 H new ATOM 0 HA LYS A 111 -4.287 31.443 -8.779 1.00 23.33 H new ATOM 0 HB2 LYS A 111 -3.190 32.858 -7.372 1.00 52.12 H new ATOM 0 HB3 LYS A 111 -3.523 31.611 -6.187 1.00 52.12 H new ATOM 0 HG2 LYS A 111 -1.189 30.644 -7.105 1.00 21.43 H new ATOM 0 HG3 LYS A 111 -0.939 32.328 -7.519 1.00 21.43 H new ATOM 0 HD2 LYS A 111 -2.001 31.775 -4.776 1.00 62.22 H new ATOM 0 HD3 LYS A 111 -0.345 31.291 -5.084 1.00 62.22 H new ATOM 0 HE2 LYS A 111 -0.430 33.825 -6.214 1.00 75.25 H new ATOM 0 HE3 LYS A 111 -1.507 34.000 -4.843 1.00 75.25 H new ATOM 0 HZ1 LYS A 111 0.768 34.512 -4.242 1.00 4.11 H new ATOM 0 HZ2 LYS A 111 0.240 33.137 -3.396 1.00 4.11 H new ATOM 0 HZ3 LYS A 111 1.284 32.968 -4.725 1.00 4.11 H new ATOM 1719 N HIS A 112 -1.755 29.399 -8.919 1.00 5.23 N ATOM 1720 CA HIS A 112 -0.659 28.930 -9.759 1.00 63.12 C ATOM 1721 C HIS A 112 -1.138 27.849 -10.723 1.00 71.23 C ATOM 1722 O HIS A 112 -0.852 27.898 -11.920 1.00 2.24 O ATOM 1723 CB HIS A 112 0.480 28.390 -8.894 1.00 63.42 C ATOM 1724 CG HIS A 112 0.929 29.344 -7.831 1.00 22.14 C ATOM 1725 ND1 HIS A 112 1.288 29.130 -6.543 1.00 22.20 N flip ATOM 1726 CD2 HIS A 112 1.047 30.702 -8.039 1.00 62.32 C flip ATOM 1727 CE1 HIS A 112 1.614 30.349 -6.003 1.00 40.43 C flip ATOM 1728 NE2 HIS A 112 1.461 31.281 -6.926 1.00 44.31 N flip ATOM 0 H HIS A 112 -1.980 28.784 -8.137 1.00 5.23 H new ATOM 0 HA HIS A 112 -0.293 29.776 -10.341 1.00 63.12 H new ATOM 0 HB2 HIS A 112 0.159 27.460 -8.424 1.00 63.42 H new ATOM 0 HB3 HIS A 112 1.328 28.147 -9.534 1.00 63.42 H new ATOM 0 HD1 HIS A 112 1.312 28.230 -6.063 1.00 22.20 H new ATOM 0 HD2 HIS A 112 0.834 31.212 -8.967 1.00 62.32 H new ATOM 0 HE1 HIS A 112 1.942 30.518 -4.988 1.00 40.43 H new ATOM 1736 N VAL A 113 -1.868 26.872 -10.194 1.00 54.31 N ATOM 1737 CA VAL A 113 -2.388 25.779 -11.007 1.00 43.34 C ATOM 1738 C VAL A 113 -3.808 26.071 -11.478 1.00 32.03 C ATOM 1739 O VAL A 113 -4.221 25.631 -12.550 1.00 11.22 O ATOM 1740 CB VAL A 113 -2.379 24.449 -10.231 1.00 65.25 C ATOM 1741 CG1 VAL A 113 -2.532 23.273 -11.185 1.00 14.54 C ATOM 1742 CG2 VAL A 113 -1.103 24.319 -9.413 1.00 61.30 C ATOM 0 H VAL A 113 -2.113 26.815 -9.205 1.00 54.31 H new ATOM 0 HA VAL A 113 -1.733 25.690 -11.873 1.00 43.34 H new ATOM 0 HB VAL A 113 -3.226 24.443 -9.545 1.00 65.25 H new ATOM 0 HG11 VAL A 113 -2.523 22.342 -10.619 1.00 14.54 H new ATOM 0 HG12 VAL A 113 -3.476 23.362 -11.723 1.00 14.54 H new ATOM 0 HG13 VAL A 113 -1.707 23.272 -11.897 1.00 14.54 H new ATOM 0 HG21 VAL A 113 -1.113 23.373 -8.871 1.00 61.30 H new ATOM 0 HG22 VAL A 113 -0.240 24.347 -10.078 1.00 61.30 H new ATOM 0 HG23 VAL A 113 -1.040 25.144 -8.703 1.00 61.30 H new ATOM 1752 N GLY A 114 -4.553 26.817 -10.667 1.00 42.21 N ATOM 1753 CA GLY A 114 -5.920 27.156 -11.017 1.00 62.35 C ATOM 1754 C GLY A 114 -5.997 28.277 -12.035 1.00 21.32 C ATOM 1755 O GLY A 114 -7.061 28.549 -12.589 1.00 73.53 O ATOM 0 H GLY A 114 -4.234 27.192 -9.774 1.00 42.21 H new ATOM 0 HA2 GLY A 114 -6.420 26.273 -11.415 1.00 62.35 H new ATOM 0 HA3 GLY A 114 -6.460 27.449 -10.117 1.00 62.35 H new ATOM 1759 N ALA A 115 -4.866 28.930 -12.280 1.00 0.55 N ATOM 1760 CA ALA A 115 -4.810 30.028 -13.237 1.00 1.10 C ATOM 1761 C ALA A 115 -6.059 30.898 -13.148 1.00 41.41 C ATOM 1762 O ALA A 115 -6.565 31.382 -14.161 1.00 53.12 O ATOM 1763 CB ALA A 115 -4.640 29.488 -14.649 1.00 42.33 C ATOM 0 H ALA A 115 -3.976 28.718 -11.829 1.00 0.55 H new ATOM 0 HA ALA A 115 -3.949 30.649 -12.991 1.00 1.10 H new ATOM 0 HB1 ALA A 115 -4.600 30.319 -15.354 1.00 42.33 H new ATOM 0 HB2 ALA A 115 -3.715 28.915 -14.710 1.00 42.33 H new ATOM 0 HB3 ALA A 115 -5.483 28.843 -14.896 1.00 42.33 H new