USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 47 ASN : amide:sc= -3.15! K(o=-3.6!,f=-0.65) USER MOD Set 1.2: A 51 SER OG : rot 44:sc= -0.458! USER MOD Set 2.1: A 36 GLN : amide:sc= -7.05! C(o=-12!,f=-7.6!) USER MOD Set 2.2: A 39 GLN : amide:sc= -4.92! C(o=-12!,f=-7.6!) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 15 THR OG1 : rot -60:sc= -0.128 USER MOD Set 3.3: A 56 LYS NZ :NH3+ -119:sc= 0.255 (180deg=0) USER MOD Set 4.1: A 10 ASN : amide:sc= -4.52! C(o=-7.1!,f=-8.2!) USER MOD Set 4.2: A 13 GLN : amide:sc= -2.58! C(o=-7.1!,f=-13!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 79:sc= 0.34 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.744 K(o=-0.74,f=-1.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.917 K(o=-0.92,f=-3.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 53 TYR OH : rot 174:sc= -4.55! USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0401) USER MOD Single : A 64 SER OG : rot 95:sc= 0.103 USER MOD Single : A 66 THR OG1 : rot 88:sc= 0.813 USER MOD Single : A 67 THR OG1 : rot -88:sc= -2.07 USER MOD Single : A 68 MET CE :methyl -160:sc= -0.101 (180deg=-0.476) USER MOD Single : A 69 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.2) USER MOD Single : A 70 THR OG1 : rot 67:sc= 0.543 USER MOD Single : A 73 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.57) USER MOD Single : A 74 SER OG : rot 60:sc= 0.351 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 8:sc= 0.861! USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -168:sc= -0.252 (180deg=-0.406) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot -74:sc= -2.3 USER MOD Single : A 101 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.12) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ASN A 10 75.236 -10.290 9.327 1.00 0.00 N ATOM 106 CA ASN A 10 75.395 -11.443 8.447 1.00 0.00 C ATOM 107 C ASN A 10 76.864 -11.844 8.348 1.00 0.00 C ATOM 108 O ASN A 10 77.553 -11.971 9.361 1.00 0.00 O ATOM 109 CB ASN A 10 74.857 -11.114 7.053 1.00 0.00 C ATOM 110 CG ASN A 10 74.542 -12.402 6.299 1.00 0.00 C ATOM 111 OD1 ASN A 10 75.118 -13.450 6.592 1.00 0.00 O ATOM 112 ND2 ASN A 10 73.657 -12.385 5.341 1.00 0.00 N ATOM 0 HA ASN A 10 74.831 -12.277 8.866 1.00 0.00 H new ATOM 0 HB2 ASN A 10 73.959 -10.502 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 10 75.591 -10.529 6.499 1.00 0.00 H new ATOM 0 HD21 ASN A 10 73.440 -13.242 4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 10 73.182 -11.515 5.101 1.00 0.00 H new ATOM 119 N TYR A 11 77.339 -12.042 7.121 1.00 0.00 N ATOM 120 CA TYR A 11 78.730 -12.427 6.903 1.00 0.00 C ATOM 121 C TYR A 11 79.286 -11.738 5.659 1.00 0.00 C ATOM 122 O TYR A 11 79.076 -10.542 5.456 1.00 0.00 O ATOM 123 CB TYR A 11 78.832 -13.946 6.739 1.00 0.00 C ATOM 124 CG TYR A 11 78.107 -14.628 7.874 1.00 0.00 C ATOM 125 CD1 TYR A 11 78.506 -14.404 9.197 1.00 0.00 C ATOM 126 CD2 TYR A 11 77.037 -15.491 7.603 1.00 0.00 C ATOM 127 CE1 TYR A 11 77.835 -15.039 10.248 1.00 0.00 C ATOM 128 CE2 TYR A 11 76.366 -16.126 8.655 1.00 0.00 C ATOM 129 CZ TYR A 11 76.765 -15.901 9.977 1.00 0.00 C ATOM 130 OH TYR A 11 76.105 -16.528 11.013 1.00 0.00 O ATOM 0 H TYR A 11 76.786 -11.943 6.269 1.00 0.00 H new ATOM 0 HA TYR A 11 79.315 -12.117 7.769 1.00 0.00 H new ATOM 0 HB2 TYR A 11 78.401 -14.249 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 11 79.878 -14.251 6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 11 79.332 -13.741 9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 11 76.730 -15.666 6.583 1.00 0.00 H new ATOM 0 HE1 TYR A 11 78.142 -14.864 11.268 1.00 0.00 H new ATOM 0 HE2 TYR A 11 75.540 -16.790 8.446 1.00 0.00 H new ATOM 0 HH TYR A 11 75.388 -17.090 10.652 1.00 0.00 H new ATOM 140 N SER A 12 79.991 -12.499 4.826 1.00 0.00 N ATOM 141 CA SER A 12 80.566 -11.946 3.605 1.00 0.00 C ATOM 142 C SER A 12 79.491 -11.230 2.795 1.00 0.00 C ATOM 143 O SER A 12 79.788 -10.328 2.013 1.00 0.00 O ATOM 144 CB SER A 12 81.180 -13.066 2.765 1.00 0.00 C ATOM 145 OG SER A 12 82.562 -13.181 3.079 1.00 0.00 O ATOM 0 H SER A 12 80.176 -13.491 4.973 1.00 0.00 H new ATOM 0 HA SER A 12 81.343 -11.231 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 12 80.670 -14.008 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 12 81.052 -12.853 1.704 1.00 0.00 H new ATOM 0 HG SER A 12 82.960 -13.899 2.544 1.00 0.00 H new ATOM 151 N GLN A 13 78.241 -11.638 2.991 1.00 0.00 N ATOM 152 CA GLN A 13 77.128 -11.030 2.276 1.00 0.00 C ATOM 153 C GLN A 13 77.151 -9.514 2.443 1.00 0.00 C ATOM 154 O GLN A 13 76.871 -8.771 1.502 1.00 0.00 O ATOM 155 CB GLN A 13 75.802 -11.580 2.806 1.00 0.00 C ATOM 156 CG GLN A 13 75.679 -13.063 2.447 1.00 0.00 C ATOM 157 CD GLN A 13 74.216 -13.505 2.575 1.00 0.00 C ATOM 158 OE1 GLN A 13 73.364 -12.696 2.941 1.00 0.00 O ATOM 159 NE2 GLN A 13 73.861 -14.740 2.299 1.00 0.00 N ATOM 0 H GLN A 13 77.976 -12.383 3.635 1.00 0.00 H new ATOM 0 HA GLN A 13 77.225 -11.272 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.750 -11.452 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 13 74.969 -11.022 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 13 76.032 -13.232 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 13 76.309 -13.660 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 13 74.562 -15.416 1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 13 72.885 -15.022 2.389 1.00 0.00 H new ATOM 168 N ASP A 14 77.485 -9.062 3.648 1.00 0.00 N ATOM 169 CA ASP A 14 77.540 -7.633 3.930 1.00 0.00 C ATOM 170 C ASP A 14 78.662 -6.970 3.141 1.00 0.00 C ATOM 171 O ASP A 14 78.495 -5.867 2.617 1.00 0.00 O ATOM 172 CB ASP A 14 77.762 -7.406 5.427 1.00 0.00 C ATOM 173 CG ASP A 14 76.479 -6.894 6.073 1.00 0.00 C ATOM 174 OD1 ASP A 14 76.212 -5.710 5.956 1.00 0.00 O ATOM 175 OD2 ASP A 14 75.785 -7.694 6.679 1.00 0.00 O ATOM 0 H ASP A 14 77.720 -9.661 4.440 1.00 0.00 H new ATOM 0 HA ASP A 14 76.592 -7.187 3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 14 78.072 -8.337 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 14 78.567 -6.687 5.579 1.00 0.00 H new ATOM 180 N THR A 15 79.805 -7.643 3.056 1.00 0.00 N ATOM 181 CA THR A 15 80.938 -7.095 2.325 1.00 0.00 C ATOM 182 C THR A 15 80.529 -6.759 0.894 1.00 0.00 C ATOM 183 O THR A 15 80.813 -5.670 0.401 1.00 0.00 O ATOM 184 CB THR A 15 82.096 -8.097 2.314 1.00 0.00 C ATOM 185 OG1 THR A 15 81.912 -9.038 3.362 1.00 0.00 O ATOM 186 CG2 THR A 15 83.418 -7.354 2.517 1.00 0.00 C ATOM 0 H THR A 15 79.969 -8.557 3.479 1.00 0.00 H new ATOM 0 HA THR A 15 81.265 -6.182 2.824 1.00 0.00 H new ATOM 0 HB THR A 15 82.120 -8.618 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 15 81.894 -8.570 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.242 -8.068 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 15 83.556 -6.631 1.713 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.399 -6.833 3.474 1.00 0.00 H new ATOM 194 N LEU A 16 79.850 -7.690 0.232 1.00 0.00 N ATOM 195 CA LEU A 16 79.406 -7.452 -1.138 1.00 0.00 C ATOM 196 C LEU A 16 78.571 -6.179 -1.200 1.00 0.00 C ATOM 197 O LEU A 16 78.663 -5.409 -2.156 1.00 0.00 O ATOM 198 CB LEU A 16 78.571 -8.628 -1.662 1.00 0.00 C ATOM 199 CG LEU A 16 78.909 -9.909 -0.897 1.00 0.00 C ATOM 200 CD1 LEU A 16 78.189 -11.091 -1.549 1.00 0.00 C ATOM 201 CD2 LEU A 16 80.419 -10.154 -0.941 1.00 0.00 C ATOM 0 H LEU A 16 79.598 -8.602 0.613 1.00 0.00 H new ATOM 0 HA LEU A 16 80.292 -7.346 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 16 77.510 -8.404 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 16 78.762 -8.772 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 16 78.589 -9.805 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 16 78.427 -12.006 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.113 -10.922 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.514 -11.188 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 16 80.655 -11.067 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 16 80.741 -10.257 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 16 80.938 -9.312 -0.482 1.00 0.00 H new ATOM 213 N THR A 17 77.756 -5.965 -0.173 1.00 0.00 N ATOM 214 CA THR A 17 76.905 -4.782 -0.117 1.00 0.00 C ATOM 215 C THR A 17 77.735 -3.538 0.187 1.00 0.00 C ATOM 216 O THR A 17 77.577 -2.502 -0.458 1.00 0.00 O ATOM 217 CB THR A 17 75.831 -4.960 0.960 1.00 0.00 C ATOM 218 OG1 THR A 17 75.373 -6.305 0.952 1.00 0.00 O ATOM 219 CG2 THR A 17 74.660 -4.018 0.676 1.00 0.00 C ATOM 0 H THR A 17 77.667 -6.591 0.627 1.00 0.00 H new ATOM 0 HA THR A 17 76.426 -4.656 -1.088 1.00 0.00 H new ATOM 0 HB THR A 17 76.253 -4.726 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 17 74.687 -6.421 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 17 73.896 -4.146 1.443 1.00 0.00 H new ATOM 0 HG22 THR A 17 75.013 -2.987 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 17 74.235 -4.250 -0.301 1.00 0.00 H new ATOM 227 N VAL A 18 78.618 -3.648 1.175 1.00 0.00 N ATOM 228 CA VAL A 18 79.467 -2.523 1.558 1.00 0.00 C ATOM 229 C VAL A 18 80.473 -2.199 0.456 1.00 0.00 C ATOM 230 O VAL A 18 80.569 -1.056 0.010 1.00 0.00 O ATOM 231 CB VAL A 18 80.214 -2.849 2.852 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.149 -1.692 3.209 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.205 -3.055 3.984 1.00 0.00 C ATOM 0 H VAL A 18 78.764 -4.497 1.721 1.00 0.00 H new ATOM 0 HA VAL A 18 78.829 -1.653 1.713 1.00 0.00 H new ATOM 0 HB VAL A 18 80.799 -3.759 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.681 -1.925 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 18 81.868 -1.543 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.565 -0.782 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 18 79.736 -3.287 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 18 78.621 -2.145 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 18 78.538 -3.880 3.732 1.00 0.00 H new ATOM 243 N ILE A 19 81.224 -3.209 0.025 1.00 0.00 N ATOM 244 CA ILE A 19 82.221 -3.011 -1.021 1.00 0.00 C ATOM 245 C ILE A 19 81.562 -2.554 -2.309 1.00 0.00 C ATOM 246 O ILE A 19 82.176 -1.861 -3.117 1.00 0.00 O ATOM 247 CB ILE A 19 83.014 -4.309 -1.256 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.517 -4.008 -1.297 1.00 0.00 C ATOM 249 CG2 ILE A 19 82.604 -4.956 -2.586 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.074 -3.985 0.126 1.00 0.00 C ATOM 0 H ILE A 19 81.162 -4.163 0.380 1.00 0.00 H new ATOM 0 HA ILE A 19 82.912 -2.234 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 19 82.795 -4.993 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.034 -4.764 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 19 84.693 -3.048 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 19 83.175 -5.873 -2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 19 81.540 -5.191 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 19 82.806 -4.265 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.142 -3.771 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 19 84.566 -3.213 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 19 84.912 -4.955 0.596 1.00 0.00 H new ATOM 262 N ALA A 20 80.316 -2.947 -2.504 1.00 0.00 N ATOM 263 CA ALA A 20 79.615 -2.562 -3.711 1.00 0.00 C ATOM 264 C ALA A 20 79.388 -1.055 -3.745 1.00 0.00 C ATOM 265 O ALA A 20 79.621 -0.408 -4.765 1.00 0.00 O ATOM 266 CB ALA A 20 78.278 -3.297 -3.811 1.00 0.00 C ATOM 0 H ALA A 20 79.779 -3.522 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 20 80.233 -2.839 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 20 77.765 -2.996 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 20 78.455 -4.372 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 20 77.660 -3.048 -2.948 1.00 0.00 H new ATOM 272 N THR A 21 78.940 -0.498 -2.625 1.00 0.00 N ATOM 273 CA THR A 21 78.696 0.937 -2.549 1.00 0.00 C ATOM 274 C THR A 21 80.018 1.697 -2.508 1.00 0.00 C ATOM 275 O THR A 21 80.135 2.791 -3.061 1.00 0.00 O ATOM 276 CB THR A 21 77.875 1.268 -1.302 1.00 0.00 C ATOM 277 OG1 THR A 21 76.819 0.327 -1.169 1.00 0.00 O ATOM 278 CG2 THR A 21 77.294 2.676 -1.434 1.00 0.00 C ATOM 0 H THR A 21 78.740 -1.012 -1.767 1.00 0.00 H new ATOM 0 HA THR A 21 78.138 1.240 -3.435 1.00 0.00 H new ATOM 0 HB THR A 21 78.515 1.222 -0.421 1.00 0.00 H new ATOM 0 HG1 THR A 21 77.168 -0.505 -0.787 1.00 0.00 H new ATOM 0 HG21 THR A 21 76.709 2.913 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.106 3.396 -1.536 1.00 0.00 H new ATOM 0 HG23 THR A 21 76.653 2.724 -2.314 1.00 0.00 H new ATOM 286 N LEU A 22 81.010 1.108 -1.851 1.00 0.00 N ATOM 287 CA LEU A 22 82.322 1.733 -1.743 1.00 0.00 C ATOM 288 C LEU A 22 83.017 1.754 -3.098 1.00 0.00 C ATOM 289 O LEU A 22 83.512 2.790 -3.539 1.00 0.00 O ATOM 290 CB LEU A 22 83.182 0.950 -0.757 1.00 0.00 C ATOM 291 CG LEU A 22 83.689 1.887 0.339 1.00 0.00 C ATOM 292 CD1 LEU A 22 84.554 1.098 1.324 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.523 3.004 -0.293 1.00 0.00 C ATOM 0 H LEU A 22 80.932 0.203 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 22 82.190 2.757 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 22 82.601 0.140 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 22 84.024 0.493 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 22 82.841 2.321 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.916 1.766 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.960 0.302 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 22 85.403 0.664 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.885 3.673 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.372 2.570 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.907 3.565 -0.995 1.00 0.00 H new ATOM 305 N ARG A 23 83.046 0.599 -3.753 1.00 0.00 N ATOM 306 CA ARG A 23 83.678 0.492 -5.059 1.00 0.00 C ATOM 307 C ARG A 23 82.846 1.211 -6.107 1.00 0.00 C ATOM 308 O ARG A 23 83.377 1.722 -7.092 1.00 0.00 O ATOM 309 CB ARG A 23 83.857 -0.981 -5.449 1.00 0.00 C ATOM 310 CG ARG A 23 84.804 -1.671 -4.458 1.00 0.00 C ATOM 311 CD ARG A 23 84.928 -3.166 -4.798 1.00 0.00 C ATOM 312 NE ARG A 23 86.056 -3.397 -5.692 1.00 0.00 N ATOM 313 CZ ARG A 23 85.934 -3.277 -7.014 1.00 0.00 C ATOM 314 NH1 ARG A 23 84.775 -2.998 -7.543 1.00 0.00 N ATOM 315 NH2 ARG A 23 86.974 -3.457 -7.782 1.00 0.00 N ATOM 0 H ARG A 23 82.642 -0.270 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 23 84.660 0.961 -5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.891 -1.485 -5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 23 84.259 -1.053 -6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 23 85.786 -1.200 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 23 84.429 -1.551 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.058 -3.743 -3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 23 84.008 -3.515 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 23 86.960 -3.657 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 23 83.959 -2.871 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 23 84.685 -2.907 -8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 23 87.878 -3.689 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 23 86.883 -3.366 -8.794 1.00 0.00 H new ATOM 329 N GLU A 24 81.539 1.250 -5.889 1.00 0.00 N ATOM 330 CA GLU A 24 80.650 1.917 -6.831 1.00 0.00 C ATOM 331 C GLU A 24 80.820 3.425 -6.743 1.00 0.00 C ATOM 332 O GLU A 24 80.552 4.151 -7.697 1.00 0.00 O ATOM 333 CB GLU A 24 79.195 1.541 -6.541 1.00 0.00 C ATOM 334 CG GLU A 24 78.261 2.413 -7.381 1.00 0.00 C ATOM 335 CD GLU A 24 76.914 1.719 -7.548 1.00 0.00 C ATOM 336 OE1 GLU A 24 76.276 1.458 -6.541 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.540 1.457 -8.679 1.00 0.00 O ATOM 0 H GLU A 24 81.075 0.835 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 24 80.908 1.592 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.029 0.488 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 24 78.979 1.675 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.124 3.382 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.706 2.602 -8.358 1.00 0.00 H new ATOM 344 N ALA A 25 81.272 3.880 -5.588 1.00 0.00 N ATOM 345 CA ALA A 25 81.481 5.307 -5.359 1.00 0.00 C ATOM 346 C ALA A 25 82.568 5.860 -6.279 1.00 0.00 C ATOM 347 O ALA A 25 82.374 6.880 -6.937 1.00 0.00 O ATOM 348 CB ALA A 25 81.877 5.548 -3.901 1.00 0.00 C ATOM 0 H ALA A 25 81.503 3.286 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 25 80.547 5.824 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.031 6.615 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.083 5.191 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 25 82.799 5.010 -3.681 1.00 0.00 H new ATOM 354 N ILE A 26 83.709 5.184 -6.315 1.00 0.00 N ATOM 355 CA ILE A 26 84.818 5.622 -7.157 1.00 0.00 C ATOM 356 C ILE A 26 84.476 5.448 -8.628 1.00 0.00 C ATOM 357 O ILE A 26 85.033 6.127 -9.491 1.00 0.00 O ATOM 358 CB ILE A 26 86.066 4.802 -6.837 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.322 5.636 -7.116 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.084 3.541 -7.706 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.465 4.715 -7.551 1.00 0.00 C ATOM 0 H ILE A 26 83.892 4.337 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 26 85.004 6.677 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 26 86.051 4.519 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.117 6.371 -7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 26 87.608 6.190 -6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 26 86.974 2.955 -7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.195 2.945 -7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.095 3.825 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.357 5.310 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.676 3.998 -6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.177 4.181 -8.456 1.00 0.00 H new ATOM 373 N ASP A 27 83.570 4.521 -8.909 1.00 0.00 N ATOM 374 CA ASP A 27 83.179 4.258 -10.290 1.00 0.00 C ATOM 375 C ASP A 27 81.662 4.217 -10.451 1.00 0.00 C ATOM 376 O ASP A 27 81.126 3.318 -11.098 1.00 0.00 O ATOM 377 CB ASP A 27 83.778 2.930 -10.759 1.00 0.00 C ATOM 378 CG ASP A 27 83.242 1.781 -9.911 1.00 0.00 C ATOM 379 OD1 ASP A 27 82.048 1.540 -9.962 1.00 0.00 O ATOM 380 OD2 ASP A 27 84.036 1.156 -9.228 1.00 0.00 O ATOM 0 H ASP A 27 83.097 3.946 -8.212 1.00 0.00 H new ATOM 0 HA ASP A 27 83.562 5.075 -10.901 1.00 0.00 H new ATOM 0 HB2 ASP A 27 83.533 2.763 -11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 27 84.865 2.968 -10.688 1.00 0.00 H new ATOM 385 N LEU A 28 80.972 5.201 -9.883 1.00 0.00 N ATOM 386 CA LEU A 28 79.518 5.250 -10.010 1.00 0.00 C ATOM 387 C LEU A 28 79.143 5.794 -11.388 1.00 0.00 C ATOM 388 O LEU A 28 79.904 6.560 -11.980 1.00 0.00 O ATOM 389 CB LEU A 28 78.878 6.123 -8.914 1.00 0.00 C ATOM 390 CG LEU A 28 79.699 7.387 -8.669 1.00 0.00 C ATOM 391 CD1 LEU A 28 79.597 8.331 -9.871 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.153 8.085 -7.428 1.00 0.00 C ATOM 0 H LEU A 28 81.384 5.961 -9.341 1.00 0.00 H new ATOM 0 HA LEU A 28 79.136 4.236 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 28 77.864 6.395 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.800 5.552 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 28 80.746 7.119 -8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.188 9.227 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 28 79.976 7.829 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 28 78.555 8.610 -10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.728 8.991 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.107 8.346 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.233 7.417 -6.570 1.00 0.00 H new ATOM 404 N PRO A 29 78.001 5.428 -11.914 1.00 0.00 N ATOM 405 CA PRO A 29 77.560 5.916 -13.247 1.00 0.00 C ATOM 406 C PRO A 29 77.735 7.425 -13.375 1.00 0.00 C ATOM 407 O PRO A 29 77.521 8.168 -12.416 1.00 0.00 O ATOM 408 CB PRO A 29 76.078 5.542 -13.312 1.00 0.00 C ATOM 409 CG PRO A 29 75.883 4.434 -12.329 1.00 0.00 C ATOM 410 CD PRO A 29 77.021 4.513 -11.307 1.00 0.00 C ATOM 0 HA PRO A 29 78.145 5.478 -14.056 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.450 6.397 -13.064 1.00 0.00 H new ATOM 0 HB3 PRO A 29 75.801 5.224 -14.317 1.00 0.00 H new ATOM 0 HG2 PRO A 29 74.917 4.528 -11.833 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.889 3.468 -12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 29 76.667 4.891 -10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.457 3.531 -11.122 1.00 0.00 H new ATOM 418 N GLN A 30 78.132 7.873 -14.560 1.00 0.00 N ATOM 419 CA GLN A 30 78.339 9.295 -14.794 1.00 0.00 C ATOM 420 C GLN A 30 77.087 10.091 -14.438 1.00 0.00 C ATOM 421 O GLN A 30 77.074 11.319 -14.533 1.00 0.00 O ATOM 422 CB GLN A 30 78.704 9.536 -16.259 1.00 0.00 C ATOM 423 CG GLN A 30 80.223 9.652 -16.390 1.00 0.00 C ATOM 424 CD GLN A 30 80.615 9.756 -17.860 1.00 0.00 C ATOM 425 OE1 GLN A 30 80.593 8.760 -18.582 1.00 0.00 O ATOM 426 NE2 GLN A 30 80.973 10.912 -18.349 1.00 0.00 N ATOM 0 H GLN A 30 78.316 7.277 -15.367 1.00 0.00 H new ATOM 0 HA GLN A 30 79.157 9.631 -14.157 1.00 0.00 H new ATOM 0 HB2 GLN A 30 78.336 8.717 -16.877 1.00 0.00 H new ATOM 0 HB3 GLN A 30 78.226 10.447 -16.620 1.00 0.00 H new ATOM 0 HG2 GLN A 30 80.577 10.529 -15.848 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.702 8.784 -15.938 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.990 11.736 -17.749 1.00 0.00 H new ATOM 0 HE22 GLN A 30 81.235 10.991 -19.332 1.00 0.00 H new ATOM 435 N ASP A 31 76.037 9.388 -14.027 1.00 0.00 N ATOM 436 CA ASP A 31 74.791 10.044 -13.657 1.00 0.00 C ATOM 437 C ASP A 31 74.822 10.452 -12.187 1.00 0.00 C ATOM 438 O ASP A 31 73.779 10.641 -11.563 1.00 0.00 O ATOM 439 CB ASP A 31 73.612 9.102 -13.901 1.00 0.00 C ATOM 440 CG ASP A 31 73.779 8.395 -15.241 1.00 0.00 C ATOM 441 OD1 ASP A 31 74.016 9.078 -16.223 1.00 0.00 O ATOM 442 OD2 ASP A 31 73.666 7.180 -15.267 1.00 0.00 O ATOM 0 H ASP A 31 76.024 8.372 -13.942 1.00 0.00 H new ATOM 0 HA ASP A 31 74.674 10.937 -14.271 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.550 8.367 -13.098 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.678 9.664 -13.891 1.00 0.00 H new ATOM 447 N ALA A 32 76.028 10.591 -11.643 1.00 0.00 N ATOM 448 CA ALA A 32 76.184 10.979 -10.247 1.00 0.00 C ATOM 449 C ALA A 32 77.471 11.774 -10.057 1.00 0.00 C ATOM 450 O ALA A 32 78.392 11.332 -9.371 1.00 0.00 O ATOM 451 CB ALA A 32 76.212 9.733 -9.356 1.00 0.00 C ATOM 0 H ALA A 32 76.904 10.442 -12.144 1.00 0.00 H new ATOM 0 HA ALA A 32 75.337 11.605 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.329 10.033 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.279 9.182 -9.472 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.048 9.097 -9.646 1.00 0.00 H new ATOM 457 N PRO A 33 77.544 12.936 -10.648 1.00 0.00 N ATOM 458 CA PRO A 33 78.739 13.819 -10.542 1.00 0.00 C ATOM 459 C PRO A 33 79.201 13.972 -9.095 1.00 0.00 C ATOM 460 O PRO A 33 80.244 14.567 -8.823 1.00 0.00 O ATOM 461 CB PRO A 33 78.258 15.156 -11.109 1.00 0.00 C ATOM 462 CG PRO A 33 77.124 14.818 -12.020 1.00 0.00 C ATOM 463 CD PRO A 33 76.490 13.534 -11.482 1.00 0.00 C ATOM 0 HA PRO A 33 79.599 13.416 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.935 15.827 -10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 33 79.057 15.664 -11.649 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.395 15.628 -12.046 1.00 0.00 H new ATOM 0 HG3 PRO A 33 77.478 14.676 -13.041 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.593 13.746 -10.900 1.00 0.00 H new ATOM 0 HD3 PRO A 33 76.195 12.866 -12.291 1.00 0.00 H new ATOM 471 N ASN A 34 78.413 13.426 -8.176 1.00 0.00 N ATOM 472 CA ASN A 34 78.737 13.497 -6.759 1.00 0.00 C ATOM 473 C ASN A 34 79.612 12.311 -6.357 1.00 0.00 C ATOM 474 O ASN A 34 79.408 11.696 -5.310 1.00 0.00 O ATOM 475 CB ASN A 34 77.446 13.507 -5.934 1.00 0.00 C ATOM 476 CG ASN A 34 76.248 13.746 -6.847 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.243 14.697 -7.631 1.00 0.00 O ATOM 478 ND2 ASN A 34 75.227 12.938 -6.792 1.00 0.00 N ATOM 0 H ASN A 34 77.547 12.930 -8.388 1.00 0.00 H new ATOM 0 HA ASN A 34 79.290 14.416 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 34 77.331 12.558 -5.410 1.00 0.00 H new ATOM 0 HB3 ASN A 34 77.496 14.286 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 34 74.422 13.092 -7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 34 75.233 12.152 -6.142 1.00 0.00 H new ATOM 485 N ARG A 35 80.594 12.004 -7.196 1.00 0.00 N ATOM 486 CA ARG A 35 81.500 10.894 -6.920 1.00 0.00 C ATOM 487 C ARG A 35 82.080 11.041 -5.517 1.00 0.00 C ATOM 488 O ARG A 35 82.283 10.054 -4.811 1.00 0.00 O ATOM 489 CB ARG A 35 82.636 10.883 -7.947 1.00 0.00 C ATOM 490 CG ARG A 35 82.052 11.039 -9.356 1.00 0.00 C ATOM 491 CD ARG A 35 82.568 12.331 -9.993 1.00 0.00 C ATOM 492 NE ARG A 35 82.459 13.440 -9.052 1.00 0.00 N ATOM 493 CZ ARG A 35 83.047 14.606 -9.296 1.00 0.00 C ATOM 494 NH1 ARG A 35 83.726 14.778 -10.398 1.00 0.00 N ATOM 495 NH2 ARG A 35 82.946 15.581 -8.435 1.00 0.00 N ATOM 0 H ARG A 35 80.783 12.502 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 35 80.947 9.957 -6.986 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.336 11.693 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.197 9.951 -7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 35 82.330 10.183 -9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 35 80.963 11.056 -9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 35 83.607 12.204 -10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 35 81.997 12.553 -10.894 1.00 0.00 H new ATOM 0 HE ARG A 35 81.923 13.318 -8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 35 83.805 14.017 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 35 84.177 15.674 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 35 82.415 15.448 -7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 35 83.398 16.476 -8.623 1.00 0.00 H new ATOM 509 N GLN A 36 82.331 12.284 -5.119 1.00 0.00 N ATOM 510 CA GLN A 36 82.875 12.564 -3.797 1.00 0.00 C ATOM 511 C GLN A 36 81.787 12.455 -2.730 1.00 0.00 C ATOM 512 O GLN A 36 82.031 11.964 -1.628 1.00 0.00 O ATOM 513 CB GLN A 36 83.475 13.972 -3.770 1.00 0.00 C ATOM 514 CG GLN A 36 84.560 14.048 -2.694 1.00 0.00 C ATOM 515 CD GLN A 36 84.004 13.569 -1.357 1.00 0.00 C ATOM 516 OE1 GLN A 36 83.143 14.224 -0.771 1.00 0.00 O ATOM 517 NE2 GLN A 36 84.448 12.457 -0.837 1.00 0.00 N ATOM 0 H GLN A 36 82.166 13.111 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 36 83.651 11.830 -3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 36 83.898 14.217 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 36 82.696 14.706 -3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 36 85.414 13.435 -2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 36 84.920 15.072 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 36 85.162 11.915 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 36 84.081 12.130 0.057 1.00 0.00 H new ATOM 526 N GLU A 37 80.588 12.926 -3.063 1.00 0.00 N ATOM 527 CA GLU A 37 79.472 12.887 -2.121 1.00 0.00 C ATOM 528 C GLU A 37 78.978 11.461 -1.912 1.00 0.00 C ATOM 529 O GLU A 37 78.879 10.993 -0.776 1.00 0.00 O ATOM 530 CB GLU A 37 78.322 13.754 -2.633 1.00 0.00 C ATOM 531 CG GLU A 37 77.545 14.324 -1.445 1.00 0.00 C ATOM 532 CD GLU A 37 78.159 15.649 -1.004 1.00 0.00 C ATOM 533 OE1 GLU A 37 78.094 16.594 -1.773 1.00 0.00 O ATOM 534 OE2 GLU A 37 78.685 15.699 0.096 1.00 0.00 O ATOM 0 H GLU A 37 80.365 13.336 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 37 79.826 13.275 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 37 78.710 14.564 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 37 77.659 13.162 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.501 14.472 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 37 77.559 13.615 -0.618 1.00 0.00 H new ATOM 541 N VAL A 38 78.668 10.769 -3.003 1.00 0.00 N ATOM 542 CA VAL A 38 78.188 9.398 -2.898 1.00 0.00 C ATOM 543 C VAL A 38 79.111 8.602 -1.989 1.00 0.00 C ATOM 544 O VAL A 38 78.661 7.765 -1.207 1.00 0.00 O ATOM 545 CB VAL A 38 78.136 8.750 -4.280 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.028 7.231 -4.130 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.918 9.272 -5.044 1.00 0.00 C ATOM 0 H VAL A 38 78.739 11.128 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 38 77.183 9.405 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 38 79.044 8.998 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.991 6.770 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.896 6.856 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.120 6.983 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.881 8.809 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.010 9.025 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.993 10.354 -5.153 1.00 0.00 H new ATOM 557 N GLN A 39 80.406 8.884 -2.088 1.00 0.00 N ATOM 558 CA GLN A 39 81.387 8.201 -1.255 1.00 0.00 C ATOM 559 C GLN A 39 81.065 8.433 0.217 1.00 0.00 C ATOM 560 O GLN A 39 81.294 7.562 1.058 1.00 0.00 O ATOM 561 CB GLN A 39 82.794 8.720 -1.564 1.00 0.00 C ATOM 562 CG GLN A 39 83.774 8.190 -0.515 1.00 0.00 C ATOM 563 CD GLN A 39 83.962 9.222 0.593 1.00 0.00 C ATOM 564 OE1 GLN A 39 83.279 9.166 1.615 1.00 0.00 O ATOM 565 NE2 GLN A 39 84.851 10.164 0.449 1.00 0.00 N ATOM 0 H GLN A 39 80.797 9.574 -2.730 1.00 0.00 H new ATOM 0 HA GLN A 39 81.349 7.133 -1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 39 83.101 8.399 -2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.799 9.810 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.399 7.257 -0.094 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.733 7.967 -0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 39 85.415 10.207 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 39 84.982 10.858 1.185 1.00 0.00 H new ATOM 574 N ASP A 40 80.521 9.609 0.520 1.00 0.00 N ATOM 575 CA ASP A 40 80.160 9.939 1.894 1.00 0.00 C ATOM 576 C ASP A 40 79.174 8.911 2.433 1.00 0.00 C ATOM 577 O ASP A 40 79.312 8.434 3.559 1.00 0.00 O ATOM 578 CB ASP A 40 79.534 11.335 1.952 1.00 0.00 C ATOM 579 CG ASP A 40 79.577 11.866 3.381 1.00 0.00 C ATOM 580 OD1 ASP A 40 80.017 11.134 4.252 1.00 0.00 O ATOM 581 OD2 ASP A 40 79.169 12.998 3.584 1.00 0.00 O ATOM 0 H ASP A 40 80.322 10.342 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 40 81.061 9.927 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 40 80.071 12.012 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 40 78.503 11.295 1.601 1.00 0.00 H new ATOM 586 N THR A 41 78.188 8.563 1.613 1.00 0.00 N ATOM 587 CA THR A 41 77.193 7.577 2.012 1.00 0.00 C ATOM 588 C THR A 41 77.878 6.258 2.343 1.00 0.00 C ATOM 589 O THR A 41 77.472 5.547 3.263 1.00 0.00 O ATOM 590 CB THR A 41 76.182 7.367 0.883 1.00 0.00 C ATOM 591 OG1 THR A 41 75.261 8.449 0.868 1.00 0.00 O ATOM 592 CG2 THR A 41 75.429 6.056 1.109 1.00 0.00 C ATOM 0 H THR A 41 78.058 8.946 0.677 1.00 0.00 H new ATOM 0 HA THR A 41 76.668 7.940 2.895 1.00 0.00 H new ATOM 0 HB THR A 41 76.706 7.322 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.613 8.317 0.144 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.709 5.907 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.137 5.227 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.904 6.098 2.063 1.00 0.00 H new ATOM 600 N ALA A 42 78.930 5.944 1.592 1.00 0.00 N ATOM 601 CA ALA A 42 79.676 4.715 1.819 1.00 0.00 C ATOM 602 C ALA A 42 80.369 4.770 3.175 1.00 0.00 C ATOM 603 O ALA A 42 80.505 3.755 3.857 1.00 0.00 O ATOM 604 CB ALA A 42 80.717 4.521 0.715 1.00 0.00 C ATOM 0 H ALA A 42 79.281 6.520 0.827 1.00 0.00 H new ATOM 0 HA ALA A 42 78.982 3.875 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.270 3.599 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.216 4.462 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.408 5.364 0.714 1.00 0.00 H new ATOM 610 N ARG A 43 80.799 5.969 3.563 1.00 0.00 N ATOM 611 CA ARG A 43 81.468 6.151 4.845 1.00 0.00 C ATOM 612 C ARG A 43 80.576 5.651 5.973 1.00 0.00 C ATOM 613 O ARG A 43 81.048 5.023 6.921 1.00 0.00 O ATOM 614 CB ARG A 43 81.794 7.629 5.061 1.00 0.00 C ATOM 615 CG ARG A 43 82.897 7.761 6.114 1.00 0.00 C ATOM 616 CD ARG A 43 82.848 9.160 6.733 1.00 0.00 C ATOM 617 NE ARG A 43 81.981 9.163 7.905 1.00 0.00 N ATOM 618 CZ ARG A 43 82.408 8.701 9.077 1.00 0.00 C ATOM 619 NH1 ARG A 43 83.623 8.239 9.193 1.00 0.00 N ATOM 620 NH2 ARG A 43 81.612 8.711 10.110 1.00 0.00 N ATOM 0 H ARG A 43 80.696 6.821 3.012 1.00 0.00 H new ATOM 0 HA ARG A 43 82.395 5.578 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 43 82.116 8.082 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 43 80.902 8.165 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 43 82.768 7.005 6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.872 7.587 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 43 83.852 9.476 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 43 82.482 9.878 5.999 1.00 0.00 H new ATOM 0 HE ARG A 43 81.031 9.525 7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 43 84.245 8.232 8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 43 83.950 7.885 10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 43 80.663 9.073 10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 43 81.939 8.357 11.009 1.00 0.00 H new ATOM 634 N GLY A 44 79.281 5.927 5.860 1.00 0.00 N ATOM 635 CA GLY A 44 78.327 5.493 6.873 1.00 0.00 C ATOM 636 C GLY A 44 78.391 3.980 7.042 1.00 0.00 C ATOM 637 O GLY A 44 78.450 3.472 8.162 1.00 0.00 O ATOM 0 H GLY A 44 78.871 6.445 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.546 5.982 7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.319 5.792 6.586 1.00 0.00 H new ATOM 641 N GLN A 45 78.389 3.268 5.920 1.00 0.00 N ATOM 642 CA GLN A 45 78.456 1.813 5.947 1.00 0.00 C ATOM 643 C GLN A 45 79.711 1.360 6.681 1.00 0.00 C ATOM 644 O GLN A 45 79.700 0.344 7.372 1.00 0.00 O ATOM 645 CB GLN A 45 78.466 1.261 4.520 1.00 0.00 C ATOM 646 CG GLN A 45 77.045 1.291 3.950 1.00 0.00 C ATOM 647 CD GLN A 45 76.405 -0.088 4.073 1.00 0.00 C ATOM 648 OE1 GLN A 45 76.859 -0.916 4.862 1.00 0.00 O ATOM 649 NE2 GLN A 45 75.371 -0.385 3.334 1.00 0.00 N ATOM 0 H GLN A 45 78.342 3.673 4.985 1.00 0.00 H new ATOM 0 HA GLN A 45 77.579 1.433 6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.133 1.854 3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.849 0.241 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.446 2.028 4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.070 1.598 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 45 74.997 0.303 2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 45 74.937 -1.305 3.410 1.00 0.00 H new ATOM 658 N ILE A 46 80.791 2.126 6.538 1.00 0.00 N ATOM 659 CA ILE A 46 82.041 1.792 7.211 1.00 0.00 C ATOM 660 C ILE A 46 81.887 2.001 8.706 1.00 0.00 C ATOM 661 O ILE A 46 82.160 1.098 9.497 1.00 0.00 O ATOM 662 CB ILE A 46 83.181 2.657 6.675 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.818 1.963 5.469 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.234 2.854 7.767 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.857 0.947 5.948 1.00 0.00 C ATOM 0 H ILE A 46 80.825 2.972 5.969 1.00 0.00 H new ATOM 0 HA ILE A 46 82.279 0.746 7.017 1.00 0.00 H new ATOM 0 HB ILE A 46 82.790 3.629 6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 46 83.051 1.462 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 46 84.289 2.701 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.046 3.471 7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 46 83.779 3.347 8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.628 1.884 8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.309 0.455 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.631 1.460 6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 46 84.373 0.202 6.579 1.00 0.00 H new ATOM 677 N ASN A 47 81.416 3.178 9.093 1.00 0.00 N ATOM 678 CA ASN A 47 81.203 3.448 10.502 1.00 0.00 C ATOM 679 C ASN A 47 80.346 2.329 11.062 1.00 0.00 C ATOM 680 O ASN A 47 80.518 1.905 12.201 1.00 0.00 O ATOM 681 CB ASN A 47 80.496 4.791 10.688 1.00 0.00 C ATOM 682 CG ASN A 47 79.355 4.643 11.689 1.00 0.00 C ATOM 683 OD1 ASN A 47 78.204 4.943 11.370 1.00 0.00 O ATOM 684 ND2 ASN A 47 79.606 4.196 12.888 1.00 0.00 N ATOM 0 H ASN A 47 81.179 3.945 8.464 1.00 0.00 H new ATOM 0 HA ASN A 47 82.159 3.498 11.024 1.00 0.00 H new ATOM 0 HB2 ASN A 47 81.206 5.540 11.040 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.109 5.144 9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 47 78.848 4.094 13.563 1.00 0.00 H new ATOM 0 HD22 ASN A 47 80.560 3.948 13.150 1.00 0.00 H new ATOM 691 N ASP A 48 79.433 1.845 10.224 1.00 0.00 N ATOM 692 CA ASP A 48 78.547 0.753 10.601 1.00 0.00 C ATOM 693 C ASP A 48 79.304 -0.569 10.618 1.00 0.00 C ATOM 694 O ASP A 48 79.202 -1.348 11.565 1.00 0.00 O ATOM 695 CB ASP A 48 77.385 0.663 9.610 1.00 0.00 C ATOM 696 CG ASP A 48 76.672 2.008 9.520 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.169 2.960 10.098 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.640 2.067 8.871 1.00 0.00 O ATOM 0 H ASP A 48 79.289 2.195 9.277 1.00 0.00 H new ATOM 0 HA ASP A 48 78.161 0.950 11.601 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.756 0.372 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.684 -0.109 9.928 1.00 0.00 H new ATOM 703 N TYR A 49 80.053 -0.818 9.552 1.00 0.00 N ATOM 704 CA TYR A 49 80.817 -2.051 9.432 1.00 0.00 C ATOM 705 C TYR A 49 81.804 -2.205 10.586 1.00 0.00 C ATOM 706 O TYR A 49 81.801 -3.214 11.288 1.00 0.00 O ATOM 707 CB TYR A 49 81.584 -2.059 8.111 1.00 0.00 C ATOM 708 CG TYR A 49 82.302 -3.378 7.955 1.00 0.00 C ATOM 709 CD1 TYR A 49 83.575 -3.549 8.511 1.00 0.00 C ATOM 710 CD2 TYR A 49 81.696 -4.427 7.256 1.00 0.00 C ATOM 711 CE1 TYR A 49 84.243 -4.772 8.367 1.00 0.00 C ATOM 712 CE2 TYR A 49 82.363 -5.649 7.113 1.00 0.00 C ATOM 713 CZ TYR A 49 83.637 -5.822 7.668 1.00 0.00 C ATOM 714 OH TYR A 49 84.295 -7.025 7.526 1.00 0.00 O ATOM 0 H TYR A 49 80.147 -0.183 8.759 1.00 0.00 H new ATOM 0 HA TYR A 49 80.115 -2.885 9.462 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.897 -1.906 7.278 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.300 -1.238 8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 49 84.042 -2.739 9.051 1.00 0.00 H new ATOM 0 HD2 TYR A 49 80.714 -4.294 6.827 1.00 0.00 H new ATOM 0 HE1 TYR A 49 85.226 -4.904 8.795 1.00 0.00 H new ATOM 0 HE2 TYR A 49 81.895 -6.459 6.574 1.00 0.00 H new ATOM 0 HH TYR A 49 83.735 -7.646 7.015 1.00 0.00 H new ATOM 724 N ILE A 50 82.654 -1.202 10.765 1.00 0.00 N ATOM 725 CA ILE A 50 83.655 -1.236 11.826 1.00 0.00 C ATOM 726 C ILE A 50 83.024 -1.010 13.196 1.00 0.00 C ATOM 727 O ILE A 50 83.586 -1.404 14.217 1.00 0.00 O ATOM 728 CB ILE A 50 84.719 -0.168 11.569 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.458 -0.493 10.268 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.717 -0.151 12.729 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.438 0.634 9.940 1.00 0.00 C ATOM 0 H ILE A 50 82.671 -0.358 10.193 1.00 0.00 H new ATOM 0 HA ILE A 50 84.114 -2.225 11.823 1.00 0.00 H new ATOM 0 HB ILE A 50 84.242 0.809 11.486 1.00 0.00 H new ATOM 0 HG12 ILE A 50 85.994 -1.437 10.368 1.00 0.00 H new ATOM 0 HG13 ILE A 50 84.744 -0.617 9.454 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.475 0.610 12.546 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.192 0.076 13.657 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.195 -1.127 12.812 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.963 0.401 9.014 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.891 1.569 9.822 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.160 0.736 10.751 1.00 0.00 H new ATOM 743 N SER A 51 81.864 -0.364 13.218 1.00 0.00 N ATOM 744 CA SER A 51 81.188 -0.086 14.484 1.00 0.00 C ATOM 745 C SER A 51 81.086 -1.339 15.343 1.00 0.00 C ATOM 746 O SER A 51 81.691 -1.425 16.411 1.00 0.00 O ATOM 747 CB SER A 51 79.780 0.446 14.233 1.00 0.00 C ATOM 748 OG SER A 51 79.778 1.861 14.369 1.00 0.00 O ATOM 0 H SER A 51 81.376 -0.026 12.388 1.00 0.00 H new ATOM 0 HA SER A 51 81.782 0.662 15.009 1.00 0.00 H new ATOM 0 HB2 SER A 51 79.446 0.165 13.234 1.00 0.00 H new ATOM 0 HB3 SER A 51 79.080 0.001 14.940 1.00 0.00 H new ATOM 0 HG SER A 51 80.561 2.235 13.913 1.00 0.00 H new ATOM 754 N ARG A 52 80.298 -2.298 14.875 1.00 0.00 N ATOM 755 CA ARG A 52 80.098 -3.538 15.622 1.00 0.00 C ATOM 756 C ARG A 52 80.077 -4.749 14.694 1.00 0.00 C ATOM 757 O ARG A 52 79.915 -5.882 15.147 1.00 0.00 O ATOM 758 CB ARG A 52 78.773 -3.471 16.382 1.00 0.00 C ATOM 759 CG ARG A 52 77.648 -3.986 15.479 1.00 0.00 C ATOM 760 CD ARG A 52 76.300 -3.470 15.985 1.00 0.00 C ATOM 761 NE ARG A 52 75.979 -4.076 17.273 1.00 0.00 N ATOM 762 CZ ARG A 52 75.565 -5.336 17.356 1.00 0.00 C ATOM 763 NH1 ARG A 52 75.435 -6.053 16.273 1.00 0.00 N ATOM 764 NH2 ARG A 52 75.288 -5.857 18.520 1.00 0.00 N ATOM 0 H ARG A 52 79.791 -2.245 13.992 1.00 0.00 H new ATOM 0 HA ARG A 52 80.930 -3.648 16.318 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.830 -4.071 17.290 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.568 -2.446 16.690 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.812 -3.656 14.453 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.649 -5.076 15.467 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.332 -2.385 16.083 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.519 -3.702 15.261 1.00 0.00 H new ATOM 0 HE ARG A 52 76.074 -3.523 18.125 1.00 0.00 H new ATOM 0 HH11 ARG A 52 75.651 -5.646 15.363 1.00 0.00 H new ATOM 0 HH12 ARG A 52 75.117 -7.020 16.337 1.00 0.00 H new ATOM 0 HH21 ARG A 52 75.389 -5.297 19.367 1.00 0.00 H new ATOM 0 HH22 ARG A 52 74.970 -6.824 18.583 1.00 0.00 H new ATOM 778 N TYR A 53 80.230 -4.505 13.399 1.00 0.00 N ATOM 779 CA TYR A 53 80.215 -5.590 12.428 1.00 0.00 C ATOM 780 C TYR A 53 81.570 -5.709 11.739 1.00 0.00 C ATOM 781 O TYR A 53 81.703 -5.419 10.552 1.00 0.00 O ATOM 782 CB TYR A 53 79.117 -5.340 11.390 1.00 0.00 C ATOM 783 CG TYR A 53 78.967 -6.563 10.513 1.00 0.00 C ATOM 784 CD1 TYR A 53 78.211 -7.654 10.959 1.00 0.00 C ATOM 785 CD2 TYR A 53 79.588 -6.609 9.258 1.00 0.00 C ATOM 786 CE1 TYR A 53 78.074 -8.788 10.150 1.00 0.00 C ATOM 787 CE2 TYR A 53 79.452 -7.744 8.451 1.00 0.00 C ATOM 788 CZ TYR A 53 78.694 -8.833 8.897 1.00 0.00 C ATOM 789 OH TYR A 53 78.560 -9.951 8.099 1.00 0.00 O ATOM 0 H TYR A 53 80.364 -3.576 13.000 1.00 0.00 H new ATOM 0 HA TYR A 53 80.010 -6.525 12.949 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.173 -5.119 11.889 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.368 -4.471 10.781 1.00 0.00 H new ATOM 0 HD1 TYR A 53 77.734 -7.620 11.927 1.00 0.00 H new ATOM 0 HD2 TYR A 53 80.172 -5.768 8.913 1.00 0.00 H new ATOM 0 HE1 TYR A 53 77.489 -9.629 10.493 1.00 0.00 H new ATOM 0 HE2 TYR A 53 79.932 -7.780 7.484 1.00 0.00 H new ATOM 0 HH TYR A 53 78.965 -9.778 7.223 1.00 0.00 H new ATOM 799 N ARG A 54 82.576 -6.134 12.496 1.00 0.00 N ATOM 800 CA ARG A 54 83.919 -6.283 11.947 1.00 0.00 C ATOM 801 C ARG A 54 84.382 -7.733 12.042 1.00 0.00 C ATOM 802 O ARG A 54 85.452 -8.086 11.544 1.00 0.00 O ATOM 803 CB ARG A 54 84.896 -5.384 12.708 1.00 0.00 C ATOM 804 CG ARG A 54 84.659 -5.535 14.212 1.00 0.00 C ATOM 805 CD ARG A 54 85.990 -5.803 14.914 1.00 0.00 C ATOM 806 NE ARG A 54 85.815 -5.757 16.361 1.00 0.00 N ATOM 807 CZ ARG A 54 85.224 -6.752 17.015 1.00 0.00 C ATOM 808 NH1 ARG A 54 84.787 -7.794 16.361 1.00 0.00 N ATOM 809 NH2 ARG A 54 85.081 -6.688 18.309 1.00 0.00 N ATOM 0 H ARG A 54 82.489 -6.379 13.482 1.00 0.00 H new ATOM 0 HA ARG A 54 83.895 -5.990 10.897 1.00 0.00 H new ATOM 0 HB2 ARG A 54 85.923 -5.654 12.462 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.759 -4.345 12.410 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.201 -4.630 14.611 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.965 -6.354 14.401 1.00 0.00 H new ATOM 0 HD2 ARG A 54 86.376 -6.779 14.618 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.728 -5.062 14.606 1.00 0.00 H new ATOM 0 HE ARG A 54 86.152 -4.947 16.881 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.899 -7.844 15.348 1.00 0.00 H new ATOM 0 HH12 ARG A 54 84.333 -8.558 16.863 1.00 0.00 H new ATOM 0 HH21 ARG A 54 85.423 -5.874 18.820 1.00 0.00 H new ATOM 0 HH22 ARG A 54 84.627 -7.452 18.810 1.00 0.00 H new ATOM 823 N ARG A 55 83.573 -8.569 12.683 1.00 0.00 N ATOM 824 CA ARG A 55 83.915 -9.979 12.836 1.00 0.00 C ATOM 825 C ARG A 55 84.215 -10.610 11.480 1.00 0.00 C ATOM 826 O ARG A 55 83.329 -10.739 10.636 1.00 0.00 O ATOM 827 CB ARG A 55 82.760 -10.727 13.504 1.00 0.00 C ATOM 828 CG ARG A 55 83.236 -11.328 14.829 1.00 0.00 C ATOM 829 CD ARG A 55 82.147 -12.240 15.394 1.00 0.00 C ATOM 830 NE ARG A 55 80.901 -12.054 14.658 1.00 0.00 N ATOM 831 CZ ARG A 55 79.747 -12.504 15.138 1.00 0.00 C ATOM 832 NH1 ARG A 55 79.715 -13.132 16.282 1.00 0.00 N ATOM 833 NH2 ARG A 55 78.645 -12.320 14.464 1.00 0.00 N ATOM 0 H ARG A 55 82.683 -8.299 13.102 1.00 0.00 H new ATOM 0 HA ARG A 55 84.805 -10.051 13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 55 81.926 -10.047 13.680 1.00 0.00 H new ATOM 0 HB3 ARG A 55 82.395 -11.515 12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 55 84.155 -11.893 14.675 1.00 0.00 H new ATOM 0 HG3 ARG A 55 83.465 -10.534 15.540 1.00 0.00 H new ATOM 0 HD2 ARG A 55 82.464 -13.281 15.329 1.00 0.00 H new ATOM 0 HD3 ARG A 55 81.990 -12.020 16.450 1.00 0.00 H new ATOM 0 HE ARG A 55 80.916 -11.570 13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.577 -13.278 16.808 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.828 -13.477 16.650 1.00 0.00 H new ATOM 0 HH21 ARG A 55 78.670 -11.831 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.759 -12.665 14.832 1.00 0.00 H new ATOM 847 N LYS A 56 85.470 -10.999 11.279 1.00 0.00 N ATOM 848 CA LYS A 56 85.877 -11.613 10.020 1.00 0.00 C ATOM 849 C LYS A 56 86.794 -12.806 10.274 1.00 0.00 C ATOM 850 O LYS A 56 88.017 -12.670 10.282 1.00 0.00 O ATOM 851 CB LYS A 56 86.604 -10.586 9.149 1.00 0.00 C ATOM 852 CG LYS A 56 86.445 -10.961 7.674 1.00 0.00 C ATOM 853 CD LYS A 56 85.268 -10.191 7.075 1.00 0.00 C ATOM 854 CE LYS A 56 85.089 -10.590 5.609 1.00 0.00 C ATOM 855 NZ LYS A 56 83.643 -10.527 5.250 1.00 0.00 N ATOM 0 H LYS A 56 86.218 -10.901 11.966 1.00 0.00 H new ATOM 0 HA LYS A 56 84.983 -11.961 9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 56 86.198 -9.590 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 56 87.661 -10.552 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 56 87.360 -10.730 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 56 86.279 -12.034 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.357 -10.405 7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.445 -9.118 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.664 -9.923 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 56 85.472 -11.597 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 83.316 -11.470 4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 83.094 -10.210 6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 83.509 -9.857 4.466 1.00 0.00 H new ATOM 869 N GLY A 57 86.193 -13.975 10.481 1.00 0.00 N ATOM 870 CA GLY A 57 86.963 -15.188 10.734 1.00 0.00 C ATOM 871 C GLY A 57 88.219 -14.881 11.545 1.00 0.00 C ATOM 872 O GLY A 57 89.328 -14.875 11.009 1.00 0.00 O ATOM 0 H GLY A 57 85.182 -14.107 10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 57 86.346 -15.909 11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 57 87.242 -15.650 9.787 1.00 0.00 H new ATOM 876 N ASP A 58 88.037 -14.626 12.835 1.00 0.00 N ATOM 877 CA ASP A 58 89.164 -14.319 13.709 1.00 0.00 C ATOM 878 C ASP A 58 90.358 -15.207 13.376 1.00 0.00 C ATOM 879 O ASP A 58 90.488 -16.312 13.902 1.00 0.00 O ATOM 880 CB ASP A 58 88.765 -14.528 15.171 1.00 0.00 C ATOM 881 CG ASP A 58 88.067 -15.873 15.337 1.00 0.00 C ATOM 882 OD1 ASP A 58 87.632 -16.420 14.336 1.00 0.00 O ATOM 883 OD2 ASP A 58 87.977 -16.336 16.461 1.00 0.00 O ATOM 0 H ASP A 58 87.128 -14.625 13.297 1.00 0.00 H new ATOM 0 HA ASP A 58 89.445 -13.277 13.554 1.00 0.00 H new ATOM 0 HB2 ASP A 58 89.650 -14.488 15.807 1.00 0.00 H new ATOM 0 HB3 ASP A 58 88.104 -13.724 15.494 1.00 0.00 H new ATOM 912 N LEU A 62 92.486 -10.959 7.277 1.00 0.00 N ATOM 913 CA LEU A 62 92.782 -11.366 5.908 1.00 0.00 C ATOM 914 C LEU A 62 93.146 -10.153 5.058 1.00 0.00 C ATOM 915 O LEU A 62 93.252 -9.036 5.565 1.00 0.00 O ATOM 916 CB LEU A 62 91.574 -12.076 5.295 1.00 0.00 C ATOM 917 CG LEU A 62 90.511 -12.306 6.372 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.311 -13.031 5.760 1.00 0.00 C ATOM 919 CD2 LEU A 62 91.101 -13.160 7.496 1.00 0.00 C ATOM 0 HA LEU A 62 93.629 -12.051 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.160 -11.477 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.880 -13.029 4.863 1.00 0.00 H new ATOM 0 HG LEU A 62 90.189 -11.345 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.554 -13.194 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 62 88.890 -12.424 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.633 -13.991 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 62 90.345 -13.324 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 62 91.423 -14.120 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 62 91.956 -12.645 7.934 1.00 0.00 H new ATOM 931 N LYS A 63 93.336 -10.381 3.763 1.00 0.00 N ATOM 932 CA LYS A 63 93.688 -9.301 2.849 1.00 0.00 C ATOM 933 C LYS A 63 92.478 -8.418 2.564 1.00 0.00 C ATOM 934 O LYS A 63 92.593 -7.194 2.500 1.00 0.00 O ATOM 935 CB LYS A 63 94.214 -9.882 1.534 1.00 0.00 C ATOM 936 CG LYS A 63 95.311 -10.907 1.828 1.00 0.00 C ATOM 937 CD LYS A 63 95.860 -11.459 0.509 1.00 0.00 C ATOM 938 CE LYS A 63 95.821 -12.988 0.533 1.00 0.00 C ATOM 939 NZ LYS A 63 96.798 -13.495 1.537 1.00 0.00 N ATOM 0 H LYS A 63 93.253 -11.298 3.325 1.00 0.00 H new ATOM 0 HA LYS A 63 94.463 -8.695 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 63 93.401 -10.353 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 63 94.607 -9.084 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 63 96.113 -10.443 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 63 94.912 -11.719 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 63 95.270 -11.084 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.883 -11.114 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.817 -13.333 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 63 96.059 -13.384 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 96.871 -14.530 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 97.730 -13.068 1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 96.476 -13.242 2.493 1.00 0.00 H new ATOM 953 N SER A 64 91.321 -9.047 2.386 1.00 0.00 N ATOM 954 CA SER A 64 90.094 -8.312 2.099 1.00 0.00 C ATOM 955 C SER A 64 89.702 -7.418 3.273 1.00 0.00 C ATOM 956 O SER A 64 89.216 -6.303 3.080 1.00 0.00 O ATOM 957 CB SER A 64 88.957 -9.292 1.808 1.00 0.00 C ATOM 958 OG SER A 64 89.508 -10.549 1.438 1.00 0.00 O ATOM 0 H SER A 64 91.207 -10.059 2.435 1.00 0.00 H new ATOM 0 HA SER A 64 90.273 -7.683 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 64 88.323 -9.404 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 64 88.326 -8.908 1.007 1.00 0.00 H new ATOM 0 HG SER A 64 89.561 -11.128 2.227 1.00 0.00 H new ATOM 964 N PHE A 65 89.908 -7.915 4.487 1.00 0.00 N ATOM 965 CA PHE A 65 89.564 -7.152 5.681 1.00 0.00 C ATOM 966 C PHE A 65 90.555 -6.016 5.905 1.00 0.00 C ATOM 967 O PHE A 65 90.162 -4.882 6.177 1.00 0.00 O ATOM 968 CB PHE A 65 89.564 -8.073 6.903 1.00 0.00 C ATOM 969 CG PHE A 65 89.798 -7.254 8.148 1.00 0.00 C ATOM 970 CD1 PHE A 65 88.865 -6.284 8.535 1.00 0.00 C ATOM 971 CD2 PHE A 65 90.949 -7.463 8.918 1.00 0.00 C ATOM 972 CE1 PHE A 65 89.082 -5.525 9.690 1.00 0.00 C ATOM 973 CE2 PHE A 65 91.167 -6.703 10.074 1.00 0.00 C ATOM 974 CZ PHE A 65 90.233 -5.734 10.459 1.00 0.00 C ATOM 0 H PHE A 65 90.308 -8.835 4.670 1.00 0.00 H new ATOM 0 HA PHE A 65 88.571 -6.726 5.539 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.613 -8.600 6.975 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.341 -8.830 6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 65 87.977 -6.122 7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.669 -8.211 8.620 1.00 0.00 H new ATOM 0 HE1 PHE A 65 88.362 -4.778 9.988 1.00 0.00 H new ATOM 0 HE2 PHE A 65 92.055 -6.864 10.668 1.00 0.00 H new ATOM 0 HZ PHE A 65 90.400 -5.147 11.350 1.00 0.00 H new ATOM 984 N THR A 66 91.841 -6.328 5.798 1.00 0.00 N ATOM 985 CA THR A 66 92.879 -5.325 6.001 1.00 0.00 C ATOM 986 C THR A 66 92.807 -4.234 4.936 1.00 0.00 C ATOM 987 O THR A 66 93.291 -3.123 5.146 1.00 0.00 O ATOM 988 CB THR A 66 94.259 -5.986 5.966 1.00 0.00 C ATOM 989 OG1 THR A 66 94.369 -6.907 7.043 1.00 0.00 O ATOM 990 CG2 THR A 66 95.344 -4.916 6.094 1.00 0.00 C ATOM 0 H THR A 66 92.188 -7.260 5.574 1.00 0.00 H new ATOM 0 HA THR A 66 92.718 -4.865 6.976 1.00 0.00 H new ATOM 0 HB THR A 66 94.384 -6.515 5.021 1.00 0.00 H new ATOM 0 HG1 THR A 66 94.022 -7.780 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.326 -5.389 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.259 -4.211 5.267 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.221 -4.384 7.038 1.00 0.00 H new ATOM 998 N THR A 67 92.205 -4.553 3.792 1.00 0.00 N ATOM 999 CA THR A 67 92.089 -3.586 2.715 1.00 0.00 C ATOM 1000 C THR A 67 91.089 -2.494 3.071 1.00 0.00 C ATOM 1001 O THR A 67 91.353 -1.308 2.870 1.00 0.00 O ATOM 1002 CB THR A 67 91.627 -4.287 1.446 1.00 0.00 C ATOM 1003 OG1 THR A 67 91.129 -5.577 1.771 1.00 0.00 O ATOM 1004 CG2 THR A 67 92.798 -4.416 0.471 1.00 0.00 C ATOM 0 H THR A 67 91.795 -5.466 3.593 1.00 0.00 H new ATOM 0 HA THR A 67 93.067 -3.131 2.558 1.00 0.00 H new ATOM 0 HB THR A 67 90.836 -3.702 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 67 91.866 -6.223 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.462 -4.919 -0.436 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.173 -3.424 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 67 93.595 -4.998 0.934 1.00 0.00 H new ATOM 1012 N MET A 68 89.937 -2.899 3.594 1.00 0.00 N ATOM 1013 CA MET A 68 88.907 -1.938 3.964 1.00 0.00 C ATOM 1014 C MET A 68 89.513 -0.841 4.828 1.00 0.00 C ATOM 1015 O MET A 68 89.189 0.336 4.676 1.00 0.00 O ATOM 1016 CB MET A 68 87.784 -2.640 4.732 1.00 0.00 C ATOM 1017 CG MET A 68 87.053 -3.610 3.800 1.00 0.00 C ATOM 1018 SD MET A 68 85.495 -2.866 3.256 1.00 0.00 S ATOM 1019 CE MET A 68 84.391 -4.132 3.929 1.00 0.00 C ATOM 0 H MET A 68 89.695 -3.874 3.769 1.00 0.00 H new ATOM 0 HA MET A 68 88.494 -1.496 3.058 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.195 -3.180 5.585 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.085 -1.903 5.128 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.678 -3.843 2.938 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.859 -4.550 4.316 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.426 -4.079 3.424 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.829 -5.118 3.772 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.251 -3.963 4.997 1.00 0.00 H new ATOM 1029 N GLN A 69 90.401 -1.239 5.730 1.00 0.00 N ATOM 1030 CA GLN A 69 91.061 -0.286 6.610 1.00 0.00 C ATOM 1031 C GLN A 69 92.201 0.417 5.879 1.00 0.00 C ATOM 1032 O GLN A 69 92.652 1.484 6.297 1.00 0.00 O ATOM 1033 CB GLN A 69 91.606 -1.007 7.844 1.00 0.00 C ATOM 1034 CG GLN A 69 90.446 -1.639 8.617 1.00 0.00 C ATOM 1035 CD GLN A 69 90.975 -2.686 9.592 1.00 0.00 C ATOM 1036 OE1 GLN A 69 91.792 -3.528 9.218 1.00 0.00 O ATOM 1037 NE2 GLN A 69 90.553 -2.684 10.828 1.00 0.00 N ATOM 0 H GLN A 69 90.679 -2.210 5.870 1.00 0.00 H new ATOM 0 HA GLN A 69 90.331 0.461 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 69 92.319 -1.775 7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.143 -0.305 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 69 89.898 -0.869 9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 69 89.744 -2.100 7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 69 89.876 -1.985 11.135 1.00 0.00 H new ATOM 0 HE22 GLN A 69 90.900 -3.381 11.487 1.00 0.00 H new ATOM 1046 N THR A 70 92.672 -0.189 4.789 1.00 0.00 N ATOM 1047 CA THR A 70 93.768 0.395 4.021 1.00 0.00 C ATOM 1048 C THR A 70 93.267 1.517 3.118 1.00 0.00 C ATOM 1049 O THR A 70 93.817 2.618 3.127 1.00 0.00 O ATOM 1050 CB THR A 70 94.440 -0.681 3.166 1.00 0.00 C ATOM 1051 OG1 THR A 70 94.766 -1.798 3.981 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.716 -0.114 2.541 1.00 0.00 C ATOM 0 H THR A 70 92.317 -1.072 4.423 1.00 0.00 H new ATOM 0 HA THR A 70 94.489 0.809 4.726 1.00 0.00 H new ATOM 0 HB THR A 70 93.758 -0.995 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 70 93.942 -2.226 4.295 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.195 -0.881 1.932 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.465 0.742 1.915 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.399 0.201 3.330 1.00 0.00 H new ATOM 1060 N ALA A 71 92.218 1.246 2.341 1.00 0.00 N ATOM 1061 CA ALA A 71 91.673 2.269 1.455 1.00 0.00 C ATOM 1062 C ALA A 71 90.939 3.330 2.267 1.00 0.00 C ATOM 1063 O ALA A 71 90.929 4.503 1.906 1.00 0.00 O ATOM 1064 CB ALA A 71 90.720 1.654 0.427 1.00 0.00 C ATOM 0 H ALA A 71 91.739 0.346 2.308 1.00 0.00 H new ATOM 0 HA ALA A 71 92.504 2.732 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.328 2.438 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.258 0.921 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.895 1.164 0.944 1.00 0.00 H new ATOM 1070 N LEU A 72 90.328 2.907 3.368 1.00 0.00 N ATOM 1071 CA LEU A 72 89.598 3.834 4.224 1.00 0.00 C ATOM 1072 C LEU A 72 90.498 4.999 4.632 1.00 0.00 C ATOM 1073 O LEU A 72 90.131 6.163 4.475 1.00 0.00 O ATOM 1074 CB LEU A 72 89.102 3.101 5.475 1.00 0.00 C ATOM 1075 CG LEU A 72 88.559 4.110 6.493 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.509 4.998 5.823 1.00 0.00 C ATOM 1077 CD2 LEU A 72 87.916 3.361 7.664 1.00 0.00 C ATOM 0 H LEU A 72 90.323 1.938 3.686 1.00 0.00 H new ATOM 0 HA LEU A 72 88.744 4.226 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.322 2.389 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 72 89.917 2.528 5.918 1.00 0.00 H new ATOM 0 HG LEU A 72 89.378 4.728 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.123 5.715 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.964 5.533 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.691 4.379 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.530 4.079 8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.098 2.742 7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 72 88.662 2.727 8.144 1.00 0.00 H new ATOM 1089 N ASN A 73 91.676 4.676 5.157 1.00 0.00 N ATOM 1090 CA ASN A 73 92.617 5.704 5.585 1.00 0.00 C ATOM 1091 C ASN A 73 93.273 6.375 4.382 1.00 0.00 C ATOM 1092 O ASN A 73 93.481 7.588 4.374 1.00 0.00 O ATOM 1093 CB ASN A 73 93.694 5.085 6.479 1.00 0.00 C ATOM 1094 CG ASN A 73 95.075 5.542 6.027 1.00 0.00 C ATOM 1095 OD1 ASN A 73 95.647 6.463 6.610 1.00 0.00 O ATOM 1096 ND2 ASN A 73 95.650 4.949 5.016 1.00 0.00 N ATOM 0 H ASN A 73 91.999 3.719 5.295 1.00 0.00 H new ATOM 0 HA ASN A 73 92.067 6.459 6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 73 93.528 5.375 7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 73 93.631 3.998 6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 73 96.575 5.249 4.708 1.00 0.00 H new ATOM 0 HD22 ASN A 73 95.174 4.186 4.534 1.00 0.00 H new ATOM 1103 N SER A 74 93.599 5.579 3.368 1.00 0.00 N ATOM 1104 CA SER A 74 94.234 6.113 2.168 1.00 0.00 C ATOM 1105 C SER A 74 93.258 6.987 1.387 1.00 0.00 C ATOM 1106 O SER A 74 93.525 8.164 1.142 1.00 0.00 O ATOM 1107 CB SER A 74 94.720 4.967 1.280 1.00 0.00 C ATOM 1108 OG SER A 74 95.702 5.460 0.377 1.00 0.00 O ATOM 0 H SER A 74 93.436 4.572 3.352 1.00 0.00 H new ATOM 0 HA SER A 74 95.085 6.723 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.140 4.169 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.883 4.539 0.728 1.00 0.00 H new ATOM 0 HG SER A 74 96.456 5.828 0.883 1.00 0.00 H new ATOM 1114 N LEU A 75 92.127 6.405 1.001 1.00 0.00 N ATOM 1115 CA LEU A 75 91.120 7.145 0.248 1.00 0.00 C ATOM 1116 C LEU A 75 90.687 8.389 1.019 1.00 0.00 C ATOM 1117 O LEU A 75 90.361 9.414 0.424 1.00 0.00 O ATOM 1118 CB LEU A 75 89.903 6.254 -0.032 1.00 0.00 C ATOM 1119 CG LEU A 75 88.941 6.267 1.164 1.00 0.00 C ATOM 1120 CD1 LEU A 75 88.022 7.497 1.109 1.00 0.00 C ATOM 1121 CD2 LEU A 75 88.083 5.000 1.131 1.00 0.00 C ATOM 0 H LEU A 75 91.886 5.433 1.195 1.00 0.00 H new ATOM 0 HA LEU A 75 91.558 7.454 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 75 89.386 6.604 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 75 90.230 5.234 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 75 89.526 6.306 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 75 87.348 7.486 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.626 8.404 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 75 87.439 7.474 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.397 5.003 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.513 4.971 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.727 4.123 1.189 1.00 0.00 H new ATOM 1133 N ALA A 76 90.686 8.291 2.345 1.00 0.00 N ATOM 1134 CA ALA A 76 90.289 9.417 3.182 1.00 0.00 C ATOM 1135 C ALA A 76 91.349 10.514 3.144 1.00 0.00 C ATOM 1136 O ALA A 76 91.029 11.694 2.998 1.00 0.00 O ATOM 1137 CB ALA A 76 90.086 8.951 4.625 1.00 0.00 C ATOM 0 H ALA A 76 90.953 7.451 2.859 1.00 0.00 H new ATOM 0 HA ALA A 76 89.352 9.819 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.790 9.799 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.306 8.190 4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 76 91.017 8.532 5.006 1.00 0.00 H new ATOM 1143 N GLY A 77 92.610 10.115 3.270 1.00 0.00 N ATOM 1144 CA GLY A 77 93.706 11.075 3.244 1.00 0.00 C ATOM 1145 C GLY A 77 93.672 11.897 1.960 1.00 0.00 C ATOM 1146 O GLY A 77 93.849 13.115 1.985 1.00 0.00 O ATOM 0 H GLY A 77 92.896 9.143 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 77 93.637 11.737 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 77 94.658 10.550 3.320 1.00 0.00 H new ATOM 1150 N TYR A 78 93.445 11.219 0.839 1.00 0.00 N ATOM 1151 CA TYR A 78 93.389 11.890 -0.454 1.00 0.00 C ATOM 1152 C TYR A 78 92.090 12.678 -0.601 1.00 0.00 C ATOM 1153 O TYR A 78 92.107 13.903 -0.729 1.00 0.00 O ATOM 1154 CB TYR A 78 93.497 10.861 -1.582 1.00 0.00 C ATOM 1155 CG TYR A 78 94.871 10.237 -1.562 1.00 0.00 C ATOM 1156 CD1 TYR A 78 96.001 11.023 -1.822 1.00 0.00 C ATOM 1157 CD2 TYR A 78 95.016 8.872 -1.286 1.00 0.00 C ATOM 1158 CE1 TYR A 78 97.275 10.442 -1.804 1.00 0.00 C ATOM 1159 CE2 TYR A 78 96.289 8.292 -1.268 1.00 0.00 C ATOM 1160 CZ TYR A 78 97.420 9.077 -1.527 1.00 0.00 C ATOM 1161 OH TYR A 78 98.675 8.505 -1.508 1.00 0.00 O ATOM 0 H TYR A 78 93.298 10.210 0.800 1.00 0.00 H new ATOM 0 HA TYR A 78 94.226 12.585 -0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 78 92.734 10.092 -1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 78 93.317 11.340 -2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 78 95.890 12.076 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 78 94.144 8.266 -1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 78 98.147 11.047 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 78 96.400 7.239 -1.054 1.00 0.00 H new ATOM 0 HH TYR A 78 98.596 7.551 -1.299 1.00 0.00 H new ATOM 1171 N TYR A 79 90.965 11.970 -0.583 1.00 0.00 N ATOM 1172 CA TYR A 79 89.664 12.618 -0.718 1.00 0.00 C ATOM 1173 C TYR A 79 89.230 13.239 0.607 1.00 0.00 C ATOM 1174 O TYR A 79 88.043 13.476 0.833 1.00 0.00 O ATOM 1175 CB TYR A 79 88.615 11.601 -1.175 1.00 0.00 C ATOM 1176 CG TYR A 79 88.483 11.651 -2.678 1.00 0.00 C ATOM 1177 CD1 TYR A 79 89.619 11.838 -3.475 1.00 0.00 C ATOM 1178 CD2 TYR A 79 87.225 11.508 -3.275 1.00 0.00 C ATOM 1179 CE1 TYR A 79 89.497 11.882 -4.869 1.00 0.00 C ATOM 1180 CE2 TYR A 79 87.103 11.553 -4.669 1.00 0.00 C ATOM 1181 CZ TYR A 79 88.238 11.740 -5.466 1.00 0.00 C ATOM 1182 OH TYR A 79 88.117 11.784 -6.840 1.00 0.00 O ATOM 0 H TYR A 79 90.927 10.956 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 79 89.752 13.408 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 79 88.903 10.599 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.655 11.819 -0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 79 90.590 11.948 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.349 11.363 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 79 90.373 12.025 -5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 79 86.132 11.443 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 79 87.176 11.668 -7.089 1.00 0.00 H new ATOM 1192 N THR A 80 90.197 13.501 1.479 1.00 0.00 N ATOM 1193 CA THR A 80 89.898 14.096 2.777 1.00 0.00 C ATOM 1194 C THR A 80 88.902 15.242 2.626 1.00 0.00 C ATOM 1195 O THR A 80 87.930 15.336 3.376 1.00 0.00 O ATOM 1196 CB THR A 80 91.184 14.618 3.422 1.00 0.00 C ATOM 1197 OG1 THR A 80 90.854 15.497 4.488 1.00 0.00 O ATOM 1198 CG2 THR A 80 92.016 15.366 2.379 1.00 0.00 C ATOM 0 H THR A 80 91.186 13.313 1.314 1.00 0.00 H new ATOM 0 HA THR A 80 89.458 13.328 3.413 1.00 0.00 H new ATOM 0 HB THR A 80 91.763 13.779 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 80 91.677 15.831 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 80 92.931 15.737 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 80 92.270 14.690 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 80 91.441 16.206 1.989 1.00 0.00 H new ATOM 1206 N SER A 81 89.150 16.110 1.650 1.00 0.00 N ATOM 1207 CA SER A 81 88.268 17.246 1.407 1.00 0.00 C ATOM 1208 C SER A 81 88.814 18.121 0.282 1.00 0.00 C ATOM 1209 O SER A 81 88.168 19.079 -0.140 1.00 0.00 O ATOM 1210 CB SER A 81 88.128 18.080 2.681 1.00 0.00 C ATOM 1211 OG SER A 81 87.604 19.359 2.349 1.00 0.00 O ATOM 0 H SER A 81 89.949 16.049 1.019 1.00 0.00 H new ATOM 0 HA SER A 81 87.290 16.864 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 81 87.469 17.577 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 81 89.097 18.186 3.168 1.00 0.00 H new ATOM 0 HG SER A 81 87.332 19.367 1.407 1.00 0.00 H new ATOM 1217 N TYR A 82 90.008 17.785 -0.196 1.00 0.00 N ATOM 1218 CA TYR A 82 90.631 18.548 -1.271 1.00 0.00 C ATOM 1219 C TYR A 82 90.460 17.830 -2.607 1.00 0.00 C ATOM 1220 O TYR A 82 89.936 18.398 -3.564 1.00 0.00 O ATOM 1221 CB TYR A 82 92.120 18.740 -0.979 1.00 0.00 C ATOM 1222 CG TYR A 82 92.854 19.027 -2.268 1.00 0.00 C ATOM 1223 CD1 TYR A 82 92.524 20.157 -3.025 1.00 0.00 C ATOM 1224 CD2 TYR A 82 93.866 18.163 -2.704 1.00 0.00 C ATOM 1225 CE1 TYR A 82 93.205 20.422 -4.219 1.00 0.00 C ATOM 1226 CE2 TYR A 82 94.548 18.429 -3.897 1.00 0.00 C ATOM 1227 CZ TYR A 82 94.217 19.559 -4.655 1.00 0.00 C ATOM 1228 OH TYR A 82 94.889 19.823 -5.831 1.00 0.00 O ATOM 0 H TYR A 82 90.560 16.996 0.141 1.00 0.00 H new ATOM 0 HA TYR A 82 90.144 19.521 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 82 92.261 19.562 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 82 92.527 17.845 -0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 82 91.744 20.824 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 82 94.120 17.291 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 82 92.949 21.293 -4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 82 95.329 17.763 -4.233 1.00 0.00 H new ATOM 0 HH TYR A 82 95.561 19.127 -5.987 1.00 0.00 H new ATOM 1238 N GLY A 83 90.908 16.579 -2.662 1.00 0.00 N ATOM 1239 CA GLY A 83 90.799 15.794 -3.886 1.00 0.00 C ATOM 1240 C GLY A 83 89.345 15.446 -4.184 1.00 0.00 C ATOM 1241 O GLY A 83 88.823 14.445 -3.693 1.00 0.00 O ATOM 0 H GLY A 83 91.346 16.091 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.221 16.354 -4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.383 14.879 -3.789 1.00 0.00 H new ATOM 1245 N ALA A 84 88.694 16.277 -4.992 1.00 0.00 N ATOM 1246 CA ALA A 84 87.299 16.045 -5.350 1.00 0.00 C ATOM 1247 C ALA A 84 87.109 16.144 -6.860 1.00 0.00 C ATOM 1248 O ALA A 84 86.172 16.783 -7.337 1.00 0.00 O ATOM 1249 CB ALA A 84 86.401 17.070 -4.654 1.00 0.00 C ATOM 0 H ALA A 84 89.107 17.112 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 84 87.024 15.042 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 84 85.362 16.888 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 84 86.513 16.978 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 84 86.688 18.075 -4.964 1.00 0.00 H new ATOM 1255 N ARG A 85 88.004 15.506 -7.606 1.00 0.00 N ATOM 1256 CA ARG A 85 87.926 15.527 -9.062 1.00 0.00 C ATOM 1257 C ARG A 85 89.135 14.823 -9.677 1.00 0.00 C ATOM 1258 O ARG A 85 88.985 13.955 -10.536 1.00 0.00 O ATOM 1259 CB ARG A 85 87.851 16.970 -9.570 1.00 0.00 C ATOM 1260 CG ARG A 85 86.520 17.193 -10.293 1.00 0.00 C ATOM 1261 CD ARG A 85 86.532 18.562 -10.975 1.00 0.00 C ATOM 1262 NE ARG A 85 85.193 19.140 -10.980 1.00 0.00 N ATOM 1263 CZ ARG A 85 84.203 18.582 -11.672 1.00 0.00 C ATOM 1264 NH1 ARG A 85 84.418 17.488 -12.350 1.00 0.00 N ATOM 1265 NH2 ARG A 85 83.016 19.127 -11.669 1.00 0.00 N ATOM 0 H ARG A 85 88.787 14.971 -7.230 1.00 0.00 H new ATOM 0 HA ARG A 85 87.022 14.997 -9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 85 87.944 17.665 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 85 88.682 17.171 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 85 86.360 16.408 -11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 85 85.695 17.136 -9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 85 87.220 19.228 -10.455 1.00 0.00 H new ATOM 0 HD3 ARG A 85 86.896 18.463 -11.998 1.00 0.00 H new ATOM 0 HE ARG A 85 85.012 19.988 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 85 85.344 17.061 -12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 85 83.660 17.060 -12.881 1.00 0.00 H new ATOM 0 HH21 ARG A 85 82.848 19.980 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 85 82.257 18.699 -12.200 1.00 0.00 H new ATOM 1279 N PRO A 86 90.323 15.177 -9.255 1.00 0.00 N ATOM 1280 CA PRO A 86 91.575 14.565 -9.774 1.00 0.00 C ATOM 1281 C PRO A 86 91.913 13.255 -9.067 1.00 0.00 C ATOM 1282 O PRO A 86 92.192 13.241 -7.868 1.00 0.00 O ATOM 1283 CB PRO A 86 92.627 15.631 -9.482 1.00 0.00 C ATOM 1284 CG PRO A 86 92.137 16.347 -8.265 1.00 0.00 C ATOM 1285 CD PRO A 86 90.610 16.202 -8.237 1.00 0.00 C ATOM 0 HA PRO A 86 91.503 14.300 -10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 86 93.604 15.181 -9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 86 92.737 16.315 -10.323 1.00 0.00 H new ATOM 0 HG2 PRO A 86 92.580 15.922 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.423 17.398 -8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 86 90.258 15.894 -7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 86 90.116 17.145 -8.472 1.00 0.00 H new ATOM 1293 N ILE A 87 91.887 12.159 -9.816 1.00 0.00 N ATOM 1294 CA ILE A 87 92.193 10.851 -9.251 1.00 0.00 C ATOM 1295 C ILE A 87 93.501 10.310 -9.830 1.00 0.00 C ATOM 1296 O ILE A 87 93.500 9.704 -10.902 1.00 0.00 O ATOM 1297 CB ILE A 87 91.062 9.872 -9.567 1.00 0.00 C ATOM 1298 CG1 ILE A 87 89.723 10.496 -9.169 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.274 8.576 -8.780 1.00 0.00 C ATOM 1300 CD1 ILE A 87 88.743 9.392 -8.768 1.00 0.00 C ATOM 0 H ILE A 87 91.659 12.150 -10.810 1.00 0.00 H new ATOM 0 HA ILE A 87 92.298 10.958 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 87 91.059 9.652 -10.635 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.865 11.189 -8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 87 89.317 11.072 -10.000 1.00 0.00 H new ATOM 0 HG21 ILE A 87 90.468 7.878 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.228 8.131 -9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.277 8.795 -7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 87 87.789 9.837 -8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 87 88.592 8.716 -9.610 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.148 8.835 -7.923 1.00 0.00 H new ATOM 1312 N PRO A 88 94.609 10.509 -9.158 1.00 0.00 N ATOM 1313 CA PRO A 88 95.925 10.020 -9.645 1.00 0.00 C ATOM 1314 C PRO A 88 96.112 8.528 -9.382 1.00 0.00 C ATOM 1315 O PRO A 88 95.416 7.941 -8.554 1.00 0.00 O ATOM 1316 CB PRO A 88 96.938 10.856 -8.862 1.00 0.00 C ATOM 1317 CG PRO A 88 96.243 11.267 -7.604 1.00 0.00 C ATOM 1318 CD PRO A 88 94.734 11.214 -7.871 1.00 0.00 C ATOM 0 HA PRO A 88 96.032 10.128 -10.724 1.00 0.00 H new ATOM 0 HB2 PRO A 88 97.835 10.277 -8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.253 11.727 -9.437 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.511 10.601 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.545 12.272 -7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.209 10.684 -7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.305 12.215 -7.924 1.00 0.00 H new ATOM 1326 N GLU A 89 97.053 7.922 -10.096 1.00 0.00 N ATOM 1327 CA GLU A 89 97.322 6.497 -9.941 1.00 0.00 C ATOM 1328 C GLU A 89 97.328 6.101 -8.467 1.00 0.00 C ATOM 1329 O GLU A 89 96.960 4.987 -8.117 1.00 0.00 O ATOM 1330 CB GLU A 89 98.672 6.152 -10.569 1.00 0.00 C ATOM 1331 CG GLU A 89 99.644 7.315 -10.361 1.00 0.00 C ATOM 1332 CD GLU A 89 99.584 8.262 -11.554 1.00 0.00 C ATOM 1333 OE1 GLU A 89 98.601 8.213 -12.276 1.00 0.00 O ATOM 1334 OE2 GLU A 89 100.521 9.023 -11.730 1.00 0.00 O ATOM 0 H GLU A 89 97.640 8.392 -10.785 1.00 0.00 H new ATOM 0 HA GLU A 89 96.531 5.943 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.073 5.244 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 89 98.549 5.953 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 89 99.392 7.852 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 89 100.658 6.935 -10.238 1.00 0.00 H new ATOM 1341 N LYS A 90 97.748 7.013 -7.608 1.00 0.00 N ATOM 1342 CA LYS A 90 97.795 6.731 -6.183 1.00 0.00 C ATOM 1343 C LYS A 90 96.435 6.260 -5.690 1.00 0.00 C ATOM 1344 O LYS A 90 96.326 5.195 -5.098 1.00 0.00 O ATOM 1345 CB LYS A 90 98.219 7.978 -5.413 1.00 0.00 C ATOM 1346 CG LYS A 90 99.599 8.427 -5.899 1.00 0.00 C ATOM 1347 CD LYS A 90 100.150 9.502 -4.962 1.00 0.00 C ATOM 1348 CE LYS A 90 101.650 9.672 -5.210 1.00 0.00 C ATOM 1349 NZ LYS A 90 102.178 10.758 -4.337 1.00 0.00 N ATOM 0 H LYS A 90 98.059 7.949 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 90 98.526 5.940 -6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.491 8.776 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 90 98.248 7.767 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.279 7.576 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 90 99.529 8.817 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.633 10.447 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 90 99.971 9.222 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.172 8.738 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 90 101.831 9.912 -6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 103.198 10.874 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 101.688 11.649 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.018 10.511 -3.340 1.00 0.00 H new ATOM 1363 N LEU A 91 95.402 7.049 -5.956 1.00 0.00 N ATOM 1364 CA LEU A 91 94.057 6.689 -5.551 1.00 0.00 C ATOM 1365 C LEU A 91 93.556 5.584 -6.450 1.00 0.00 C ATOM 1366 O LEU A 91 93.132 4.529 -5.987 1.00 0.00 O ATOM 1367 CB LEU A 91 93.133 7.901 -5.665 1.00 0.00 C ATOM 1368 CG LEU A 91 93.325 8.806 -4.452 1.00 0.00 C ATOM 1369 CD1 LEU A 91 94.747 9.372 -4.452 1.00 0.00 C ATOM 1370 CD2 LEU A 91 92.317 9.957 -4.515 1.00 0.00 C ATOM 0 H LEU A 91 95.473 7.939 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 91 94.067 6.351 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.350 8.452 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.095 7.575 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 91 93.167 8.230 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 91 94.881 10.018 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 91 95.465 8.553 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 91 94.909 9.949 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.451 10.606 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.477 10.531 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 91 91.304 9.554 -4.513 1.00 0.00 H new ATOM 1382 N LYS A 92 93.619 5.838 -7.745 1.00 0.00 N ATOM 1383 CA LYS A 92 93.177 4.861 -8.714 1.00 0.00 C ATOM 1384 C LYS A 92 93.837 3.519 -8.435 1.00 0.00 C ATOM 1385 O LYS A 92 93.158 2.527 -8.210 1.00 0.00 O ATOM 1386 CB LYS A 92 93.530 5.330 -10.128 1.00 0.00 C ATOM 1387 CG LYS A 92 92.348 5.073 -11.063 1.00 0.00 C ATOM 1388 CD LYS A 92 92.794 5.270 -12.514 1.00 0.00 C ATOM 1389 CE LYS A 92 93.019 3.906 -13.167 1.00 0.00 C ATOM 1390 NZ LYS A 92 94.109 3.186 -12.449 1.00 0.00 N ATOM 0 H LYS A 92 93.970 6.708 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 92 92.096 4.749 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 92 93.776 6.392 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 92 94.413 4.802 -10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 92 91.972 4.060 -10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 92 91.529 5.753 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 92 92.038 5.829 -13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 92 93.712 5.857 -12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 92 92.100 3.320 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 92 93.282 4.032 -14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 94.403 2.357 -13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 94.921 3.823 -12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 93.765 2.874 -11.518 1.00 0.00 H new ATOM 1404 N LYS A 93 95.165 3.495 -8.436 1.00 0.00 N ATOM 1405 CA LYS A 93 95.889 2.257 -8.173 1.00 0.00 C ATOM 1406 C LYS A 93 95.519 1.695 -6.814 1.00 0.00 C ATOM 1407 O LYS A 93 95.098 0.552 -6.704 1.00 0.00 O ATOM 1408 CB LYS A 93 97.403 2.478 -8.247 1.00 0.00 C ATOM 1409 CG LYS A 93 98.111 1.124 -8.347 1.00 0.00 C ATOM 1410 CD LYS A 93 99.626 1.338 -8.319 1.00 0.00 C ATOM 1411 CE LYS A 93 100.289 0.444 -9.368 1.00 0.00 C ATOM 1412 NZ LYS A 93 101.766 0.650 -9.332 1.00 0.00 N ATOM 0 H LYS A 93 95.756 4.307 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 93 95.603 1.539 -8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.650 3.094 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.747 3.016 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.808 0.481 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.821 0.617 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 93 99.860 2.384 -8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.018 1.106 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 93 100.052 -0.602 -9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 93 99.902 0.679 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 102.219 0.043 -10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 101.983 1.646 -9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 102.128 0.405 -8.388 1.00 0.00 H new ATOM 1426 N ARG A 94 95.670 2.499 -5.782 1.00 0.00 N ATOM 1427 CA ARG A 94 95.336 2.034 -4.440 1.00 0.00 C ATOM 1428 C ARG A 94 93.884 1.581 -4.392 1.00 0.00 C ATOM 1429 O ARG A 94 93.597 0.423 -4.105 1.00 0.00 O ATOM 1430 CB ARG A 94 95.554 3.137 -3.403 1.00 0.00 C ATOM 1431 CG ARG A 94 97.057 3.409 -3.257 1.00 0.00 C ATOM 1432 CD ARG A 94 97.287 4.727 -2.510 1.00 0.00 C ATOM 1433 NE ARG A 94 97.936 4.470 -1.229 1.00 0.00 N ATOM 1434 CZ ARG A 94 99.222 4.140 -1.162 1.00 0.00 C ATOM 1435 NH1 ARG A 94 99.928 4.043 -2.255 1.00 0.00 N ATOM 1436 NH2 ARG A 94 99.776 3.913 -0.003 1.00 0.00 N ATOM 0 H ARG A 94 96.014 3.458 -5.836 1.00 0.00 H new ATOM 0 HA ARG A 94 95.993 1.197 -4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 94 95.037 4.046 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 94 95.132 2.838 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 94 97.531 2.589 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 94 97.523 3.455 -4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 94 97.905 5.393 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 94 96.336 5.234 -2.349 1.00 0.00 H new ATOM 0 HE ARG A 94 97.393 4.545 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 94 99.493 4.220 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 94 100.915 3.790 -2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 94 99.223 3.989 0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 94 100.763 3.660 0.050 1.00 0.00 H new ATOM 1450 N LEU A 95 92.973 2.499 -4.680 1.00 0.00 N ATOM 1451 CA LEU A 95 91.556 2.170 -4.663 1.00 0.00 C ATOM 1452 C LEU A 95 91.258 1.033 -5.619 1.00 0.00 C ATOM 1453 O LEU A 95 90.644 0.060 -5.232 1.00 0.00 O ATOM 1454 CB LEU A 95 90.718 3.388 -5.050 1.00 0.00 C ATOM 1455 CG LEU A 95 90.954 4.499 -4.029 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.373 5.815 -4.550 1.00 0.00 C ATOM 1457 CD2 LEU A 95 90.280 4.140 -2.702 1.00 0.00 C ATOM 0 H LEU A 95 93.186 3.466 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 95 91.297 1.862 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.990 3.730 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.661 3.123 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 95 92.027 4.611 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.544 6.604 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.858 6.080 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.302 5.700 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 95 90.453 4.937 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 95 89.208 4.019 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.699 3.208 -2.322 1.00 0.00 H new ATOM 1469 N GLN A 96 91.688 1.173 -6.868 1.00 0.00 N ATOM 1470 CA GLN A 96 91.436 0.133 -7.876 1.00 0.00 C ATOM 1471 C GLN A 96 92.133 -1.174 -7.517 1.00 0.00 C ATOM 1472 O GLN A 96 91.531 -2.240 -7.580 1.00 0.00 O ATOM 1473 CB GLN A 96 91.900 0.584 -9.267 1.00 0.00 C ATOM 1474 CG GLN A 96 91.367 -0.382 -10.333 1.00 0.00 C ATOM 1475 CD GLN A 96 90.646 0.397 -11.428 1.00 0.00 C ATOM 1476 OE1 GLN A 96 91.143 0.495 -12.550 1.00 0.00 O ATOM 1477 NE2 GLN A 96 89.498 0.960 -11.169 1.00 0.00 N ATOM 0 H GLN A 96 92.206 1.982 -7.210 1.00 0.00 H new ATOM 0 HA GLN A 96 90.359 -0.033 -7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.544 1.594 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 96 92.989 0.616 -9.304 1.00 0.00 H new ATOM 0 HG2 GLN A 96 92.190 -0.953 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 96 90.685 -1.100 -9.877 1.00 0.00 H new ATOM 0 HE21 GLN A 96 89.088 0.878 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 96 89.011 1.483 -11.897 1.00 0.00 H new ATOM 1486 N LEU A 97 93.399 -1.086 -7.142 1.00 0.00 N ATOM 1487 CA LEU A 97 94.154 -2.278 -6.772 1.00 0.00 C ATOM 1488 C LEU A 97 93.556 -2.878 -5.513 1.00 0.00 C ATOM 1489 O LEU A 97 93.395 -4.091 -5.405 1.00 0.00 O ATOM 1490 CB LEU A 97 95.630 -1.942 -6.529 1.00 0.00 C ATOM 1491 CG LEU A 97 96.426 -3.237 -6.354 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.903 -3.731 -7.720 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.640 -2.971 -5.459 1.00 0.00 C ATOM 0 H LEU A 97 93.923 -0.213 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 97 94.097 -2.994 -7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.026 -1.369 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.731 -1.318 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 97 95.791 -3.994 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.470 -4.654 -7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 97 96.041 -3.918 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.538 -2.974 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 97 98.208 -3.893 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 97 98.274 -2.214 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.303 -2.617 -4.485 1.00 0.00 H new ATOM 1505 N GLU A 98 93.210 -2.010 -4.569 1.00 0.00 N ATOM 1506 CA GLU A 98 92.612 -2.455 -3.325 1.00 0.00 C ATOM 1507 C GLU A 98 91.174 -2.885 -3.579 1.00 0.00 C ATOM 1508 O GLU A 98 90.733 -3.920 -3.087 1.00 0.00 O ATOM 1509 CB GLU A 98 92.644 -1.333 -2.282 1.00 0.00 C ATOM 1510 CG GLU A 98 94.095 -0.918 -2.026 1.00 0.00 C ATOM 1511 CD GLU A 98 94.633 -1.625 -0.788 1.00 0.00 C ATOM 1512 OE1 GLU A 98 95.032 -2.771 -0.910 1.00 0.00 O ATOM 1513 OE2 GLU A 98 94.641 -1.008 0.265 1.00 0.00 O ATOM 0 H GLU A 98 93.334 -1.000 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 98 93.183 -3.300 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 98 92.066 -0.478 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 98 92.182 -1.670 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 98 94.710 -1.165 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 98 94.154 0.162 -1.892 1.00 0.00 H new ATOM 1520 N PHE A 99 90.455 -2.088 -4.372 1.00 0.00 N ATOM 1521 CA PHE A 99 89.075 -2.401 -4.703 1.00 0.00 C ATOM 1522 C PHE A 99 89.056 -3.645 -5.545 1.00 0.00 C ATOM 1523 O PHE A 99 88.261 -4.543 -5.314 1.00 0.00 O ATOM 1524 CB PHE A 99 88.411 -1.264 -5.479 1.00 0.00 C ATOM 1525 CG PHE A 99 88.087 -0.093 -4.561 1.00 0.00 C ATOM 1526 CD1 PHE A 99 88.680 0.038 -3.287 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.167 0.868 -4.993 1.00 0.00 C ATOM 1528 CE1 PHE A 99 88.347 1.122 -2.469 1.00 0.00 C ATOM 1529 CE2 PHE A 99 86.836 1.949 -4.168 1.00 0.00 C ATOM 1530 CZ PHE A 99 87.426 2.076 -2.908 1.00 0.00 C ATOM 0 H PHE A 99 90.808 -1.228 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 99 88.521 -2.546 -3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 99 89.072 -0.931 -6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 99 87.497 -1.626 -5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 99 89.391 -0.699 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 99 86.710 0.775 -5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 99 88.803 1.222 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 99 86.123 2.686 -4.506 1.00 0.00 H new ATOM 0 HZ PHE A 99 87.170 2.912 -2.274 1.00 0.00 H new ATOM 1540 N THR A 100 89.974 -3.726 -6.495 1.00 0.00 N ATOM 1541 CA THR A 100 90.050 -4.918 -7.296 1.00 0.00 C ATOM 1542 C THR A 100 90.398 -6.042 -6.349 1.00 0.00 C ATOM 1543 O THR A 100 89.741 -7.074 -6.317 1.00 0.00 O ATOM 1544 CB THR A 100 91.115 -4.792 -8.375 1.00 0.00 C ATOM 1545 OG1 THR A 100 92.337 -4.384 -7.787 1.00 0.00 O ATOM 1546 CG2 THR A 100 90.672 -3.771 -9.426 1.00 0.00 C ATOM 0 H THR A 100 90.654 -3.000 -6.720 1.00 0.00 H new ATOM 0 HA THR A 100 89.104 -5.098 -7.807 1.00 0.00 H new ATOM 0 HB THR A 100 91.255 -5.758 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.282 -3.437 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 100 91.439 -3.685 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 100 89.737 -4.099 -9.880 1.00 0.00 H new ATOM 0 HG23 THR A 100 90.524 -2.801 -8.951 1.00 0.00 H new ATOM 1554 N GLN A 101 91.411 -5.806 -5.525 1.00 0.00 N ATOM 1555 CA GLN A 101 91.779 -6.801 -4.533 1.00 0.00 C ATOM 1556 C GLN A 101 90.569 -7.054 -3.645 1.00 0.00 C ATOM 1557 O GLN A 101 90.403 -8.136 -3.090 1.00 0.00 O ATOM 1558 CB GLN A 101 92.955 -6.325 -3.680 1.00 0.00 C ATOM 1559 CG GLN A 101 93.391 -7.451 -2.741 1.00 0.00 C ATOM 1560 CD GLN A 101 94.778 -7.947 -3.133 1.00 0.00 C ATOM 1561 OE1 GLN A 101 95.001 -9.154 -3.239 1.00 0.00 O ATOM 1562 NE2 GLN A 101 95.731 -7.085 -3.356 1.00 0.00 N ATOM 0 H GLN A 101 91.977 -4.958 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 101 92.087 -7.716 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.786 -6.028 -4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.668 -5.446 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.401 -7.094 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 101 92.675 -8.272 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 101 95.546 -6.086 -3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 101 96.662 -7.410 -3.618 1.00 0.00 H new ATOM 1571 N ALA A 102 89.709 -6.039 -3.531 1.00 0.00 N ATOM 1572 CA ALA A 102 88.496 -6.169 -2.725 1.00 0.00 C ATOM 1573 C ALA A 102 87.448 -6.965 -3.480 1.00 0.00 C ATOM 1574 O ALA A 102 86.962 -7.984 -2.996 1.00 0.00 O ATOM 1575 CB ALA A 102 87.919 -4.797 -2.369 1.00 0.00 C ATOM 0 H ALA A 102 89.828 -5.131 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 102 88.764 -6.688 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 102 87.018 -4.926 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.655 -4.229 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.672 -4.258 -3.284 1.00 0.00 H new ATOM 1581 N GLU A 103 87.106 -6.487 -4.667 1.00 0.00 N ATOM 1582 CA GLU A 103 86.106 -7.153 -5.499 1.00 0.00 C ATOM 1583 C GLU A 103 86.681 -8.394 -6.167 1.00 0.00 C ATOM 1584 O GLU A 103 86.101 -9.478 -6.097 1.00 0.00 O ATOM 1585 CB GLU A 103 85.622 -6.198 -6.585 1.00 0.00 C ATOM 1586 CG GLU A 103 84.828 -6.972 -7.641 1.00 0.00 C ATOM 1587 CD GLU A 103 83.942 -8.016 -6.970 1.00 0.00 C ATOM 1588 OE1 GLU A 103 83.229 -7.654 -6.047 1.00 0.00 O ATOM 1589 OE2 GLU A 103 83.987 -9.161 -7.389 1.00 0.00 O ATOM 0 H GLU A 103 87.503 -5.642 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 103 85.279 -7.449 -4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 103 84.998 -5.420 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 103 86.473 -5.700 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.215 -6.284 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 103 85.512 -7.457 -8.338 1.00 0.00 H new ATOM 1596 N ARG A 104 87.815 -8.218 -6.830 1.00 0.00 N ATOM 1597 CA ARG A 104 88.461 -9.324 -7.532 1.00 0.00 C ATOM 1598 C ARG A 104 88.702 -10.503 -6.596 1.00 0.00 C ATOM 1599 O ARG A 104 88.370 -11.641 -6.926 1.00 0.00 O ATOM 1600 CB ARG A 104 89.791 -8.861 -8.131 1.00 0.00 C ATOM 1601 CG ARG A 104 90.158 -9.751 -9.319 1.00 0.00 C ATOM 1602 CD ARG A 104 91.441 -9.227 -9.966 1.00 0.00 C ATOM 1603 NE ARG A 104 91.964 -10.204 -10.913 1.00 0.00 N ATOM 1604 CZ ARG A 104 92.639 -11.270 -10.495 1.00 0.00 C ATOM 1605 NH1 ARG A 104 92.844 -11.453 -9.219 1.00 0.00 N ATOM 1606 NH2 ARG A 104 93.097 -12.132 -11.361 1.00 0.00 N ATOM 0 H ARG A 104 88.306 -7.327 -6.898 1.00 0.00 H new ATOM 0 HA ARG A 104 87.796 -9.650 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 104 89.714 -7.822 -8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.576 -8.904 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 104 90.298 -10.780 -8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.347 -9.758 -10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 104 91.240 -8.286 -10.477 1.00 0.00 H new ATOM 0 HD3 ARG A 104 92.186 -9.020 -9.198 1.00 0.00 H new ATOM 0 HE ARG A 104 91.810 -10.067 -11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 104 92.486 -10.778 -8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 104 93.362 -12.271 -8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 104 92.937 -11.988 -12.358 1.00 0.00 H new ATOM 0 HH22 ARG A 104 93.615 -12.950 -11.041 1.00 0.00 H new ATOM 1620 N SER A 105 89.281 -10.233 -5.430 1.00 0.00 N ATOM 1621 CA SER A 105 89.552 -11.299 -4.473 1.00 0.00 C ATOM 1622 C SER A 105 88.254 -11.796 -3.846 1.00 0.00 C ATOM 1623 O SER A 105 88.086 -12.996 -3.629 1.00 0.00 O ATOM 1624 CB SER A 105 90.498 -10.812 -3.377 1.00 0.00 C ATOM 1625 OG SER A 105 91.179 -11.928 -2.819 1.00 0.00 O ATOM 0 H SER A 105 89.567 -9.302 -5.129 1.00 0.00 H new ATOM 0 HA SER A 105 90.026 -12.121 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 105 91.215 -10.101 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 105 89.938 -10.288 -2.603 1.00 0.00 H new ATOM 0 HG SER A 105 91.789 -11.621 -2.116 1.00 0.00 H new ATOM 1631 N ILE A 106 87.335 -10.876 -3.557 1.00 0.00 N ATOM 1632 CA ILE A 106 86.060 -11.274 -2.956 1.00 0.00 C ATOM 1633 C ILE A 106 85.362 -12.311 -3.829 1.00 0.00 C ATOM 1634 O ILE A 106 84.811 -13.290 -3.327 1.00 0.00 O ATOM 1635 CB ILE A 106 85.137 -10.067 -2.782 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.439 -9.382 -1.447 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.681 -10.536 -2.788 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.625 -10.051 -0.335 1.00 0.00 C ATOM 0 H ILE A 106 87.442 -9.875 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 106 86.275 -11.703 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 106 85.301 -9.365 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.504 -9.449 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.192 -8.322 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 106 83.022 -9.677 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 106 83.461 -11.028 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.521 -11.237 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 106 84.839 -9.564 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 106 83.562 -9.960 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.894 -11.105 -0.271 1.00 0.00 H new ATOM 1650 N GLU A 107 85.386 -12.088 -5.139 1.00 0.00 N ATOM 1651 CA GLU A 107 84.750 -13.009 -6.073 1.00 0.00 C ATOM 1652 C GLU A 107 85.437 -14.368 -6.036 1.00 0.00 C ATOM 1653 O GLU A 107 84.925 -15.321 -5.448 1.00 0.00 O ATOM 1654 CB GLU A 107 84.815 -12.443 -7.493 1.00 0.00 C ATOM 1655 CG GLU A 107 84.421 -13.531 -8.495 1.00 0.00 C ATOM 1656 CD GLU A 107 83.988 -12.895 -9.811 1.00 0.00 C ATOM 1657 OE1 GLU A 107 83.441 -11.805 -9.767 1.00 0.00 O ATOM 1658 OE2 GLU A 107 84.207 -13.508 -10.843 1.00 0.00 O ATOM 0 H GLU A 107 85.836 -11.283 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 107 83.708 -13.132 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 107 84.145 -11.588 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.822 -12.084 -7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 107 85.263 -14.202 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 107 83.609 -14.135 -8.089 1.00 0.00 H new ATOM 1665 N ARG A 108 86.599 -14.444 -6.667 1.00 0.00 N ATOM 1666 CA ARG A 108 87.361 -15.688 -6.706 1.00 0.00 C ATOM 1667 C ARG A 108 88.786 -15.428 -7.180 1.00 0.00 C ATOM 1668 O ARG A 108 89.329 -16.182 -7.988 1.00 0.00 O ATOM 1669 CB ARG A 108 86.682 -16.686 -7.647 1.00 0.00 C ATOM 1670 CG ARG A 108 87.022 -18.113 -7.210 1.00 0.00 C ATOM 1671 CD ARG A 108 85.926 -18.636 -6.279 1.00 0.00 C ATOM 1672 NE ARG A 108 86.473 -19.631 -5.364 1.00 0.00 N ATOM 1673 CZ ARG A 108 86.918 -20.801 -5.810 1.00 0.00 C ATOM 1674 NH1 ARG A 108 86.872 -21.074 -7.084 1.00 0.00 N ATOM 1675 NH2 ARG A 108 87.402 -21.677 -4.972 1.00 0.00 N ATOM 0 H ARG A 108 87.036 -13.664 -7.158 1.00 0.00 H new ATOM 0 HA ARG A 108 87.396 -16.104 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 108 85.602 -16.538 -7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 108 87.014 -16.519 -8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 108 87.112 -18.760 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 108 87.985 -18.129 -6.700 1.00 0.00 H new ATOM 0 HD2 ARG A 108 85.495 -17.810 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 108 85.120 -19.076 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 108 86.515 -19.426 -4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.494 -20.389 -7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.214 -21.972 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 108 87.438 -21.463 -3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 108 87.744 -22.575 -5.314 1.00 0.00 H new