USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 700 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 52 ASN : amide:sc= -0.562 K(o=-4,f=-12!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -168:sc= -1.18! (180deg=-2.97!) USER MOD Set 1.3: A 83 THR OG1 : rot -170:sc= -2.24! USER MOD Set 2.1: A 31 THR OG1 : rot -100:sc= -0.86 USER MOD Set 2.2: A 62 ASN : amide:sc= -1.11 K(o=-2,f=-2.8) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.105) USER MOD Single : A 13 THR OG1 : rot -73:sc= -1.33! USER MOD Single : A 17 GLN :FLIP amide:sc= -1.15 F(o=-2.7,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0683) USER MOD Single : A 26 GLN : amide:sc= -0.389 K(o=-0.39,f=-3.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -5.09! C(o=-5.1!,f=-4.8!) USER MOD Single : A 34 THR OG1 : rot -55:sc= 1.03 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -0.0157 (180deg=-0.159) USER MOD Single : A 42 GLN :FLIP amide:sc= -8.78! C(o=-9.6!,f=-8.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -113:sc= -0.712 (180deg=-2.32) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 100:sc= 0.438 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.85! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 0.163 (180deg=0.00326) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= -3.68! (180deg=-3.77!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 47:sc= 1.45 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.106 F(o=-0.7,f=-0.11) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0816 F(o=-0.72,f=-0.082) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.79! C(o=-3.8!,f=-3.8!) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000232) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -16.071 -4.868 -8.778 1.00 0.00 N ATOM 87 CA SER A 7 -16.773 -6.113 -8.355 1.00 0.00 C ATOM 88 C SER A 7 -16.243 -6.571 -6.992 1.00 0.00 C ATOM 89 O SER A 7 -16.730 -6.151 -5.961 1.00 0.00 O ATOM 90 CB SER A 7 -16.561 -7.217 -9.396 1.00 0.00 C ATOM 91 OG SER A 7 -17.601 -7.155 -10.362 1.00 0.00 O ATOM 0 HA SER A 7 -17.840 -5.907 -8.273 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.592 -7.096 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.556 -8.194 -8.912 1.00 0.00 H new ATOM 0 HG SER A 7 -17.468 -7.859 -11.031 1.00 0.00 H new ATOM 97 N GLU A 8 -15.263 -7.437 -6.969 1.00 0.00 N ATOM 98 CA GLU A 8 -14.736 -7.916 -5.663 1.00 0.00 C ATOM 99 C GLU A 8 -13.425 -7.218 -5.305 1.00 0.00 C ATOM 100 O GLU A 8 -12.360 -7.747 -5.520 1.00 0.00 O ATOM 101 CB GLU A 8 -14.516 -9.433 -5.706 1.00 0.00 C ATOM 102 CG GLU A 8 -15.698 -10.106 -6.407 1.00 0.00 C ATOM 103 CD GLU A 8 -16.523 -10.885 -5.380 1.00 0.00 C ATOM 104 OE1 GLU A 8 -15.983 -11.809 -4.792 1.00 0.00 O ATOM 105 OE2 GLU A 8 -17.680 -10.545 -5.198 1.00 0.00 O ATOM 0 H GLU A 8 -14.809 -7.829 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.474 -7.676 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.590 -9.661 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.411 -9.824 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.320 -9.356 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.338 -10.778 -7.186 1.00 0.00 H new ATOM 112 N ALA A 9 -13.489 -6.045 -4.742 1.00 0.00 N ATOM 113 CA ALA A 9 -12.228 -5.352 -4.357 1.00 0.00 C ATOM 114 C ALA A 9 -12.547 -3.982 -3.753 1.00 0.00 C ATOM 115 O ALA A 9 -13.597 -3.417 -3.987 1.00 0.00 O ATOM 116 CB ALA A 9 -11.341 -5.191 -5.589 1.00 0.00 C ATOM 0 H ALA A 9 -14.350 -5.540 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.701 -5.947 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.418 -4.684 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.106 -6.173 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.866 -4.601 -6.340 1.00 0.00 H new ATOM 122 N LYS A 10 -11.646 -3.448 -2.974 1.00 0.00 N ATOM 123 CA LYS A 10 -11.892 -2.117 -2.346 1.00 0.00 C ATOM 124 C LYS A 10 -10.686 -1.202 -2.599 1.00 0.00 C ATOM 125 O LYS A 10 -9.632 -1.666 -2.983 1.00 0.00 O ATOM 126 CB LYS A 10 -12.095 -2.298 -0.841 1.00 0.00 C ATOM 127 CG LYS A 10 -13.557 -2.653 -0.563 1.00 0.00 C ATOM 128 CD LYS A 10 -14.157 -1.629 0.403 1.00 0.00 C ATOM 129 CE LYS A 10 -15.672 -1.566 0.199 1.00 0.00 C ATOM 130 NZ LYS A 10 -16.274 -2.883 0.550 1.00 0.00 N ATOM 0 H LYS A 10 -10.749 -3.876 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.784 -1.665 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.441 -3.086 -0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.825 -1.383 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.123 -2.665 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.624 -3.654 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.929 -1.906 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.715 -0.648 0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.101 -0.780 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.900 -1.314 -0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.305 -2.780 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.061 -3.573 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.877 -3.217 1.451 1.00 0.00 H new ATOM 144 N PRO A 11 -10.884 0.076 -2.380 1.00 0.00 N ATOM 145 CA PRO A 11 -9.830 1.088 -2.582 1.00 0.00 C ATOM 146 C PRO A 11 -8.844 1.088 -1.407 1.00 0.00 C ATOM 147 O PRO A 11 -9.173 1.493 -0.314 1.00 0.00 O ATOM 148 CB PRO A 11 -10.603 2.404 -2.649 1.00 0.00 C ATOM 149 CG PRO A 11 -11.950 2.156 -1.926 1.00 0.00 C ATOM 150 CD PRO A 11 -12.171 0.630 -1.915 1.00 0.00 C ATOM 0 HA PRO A 11 -9.230 0.906 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.045 3.207 -2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.767 2.706 -3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.923 2.551 -0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.766 2.662 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.422 0.271 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.990 0.341 -2.573 1.00 0.00 H new ATOM 158 N ALA A 12 -7.639 0.642 -1.655 1.00 0.00 N ATOM 159 CA ALA A 12 -6.571 0.593 -0.603 1.00 0.00 C ATOM 160 C ALA A 12 -7.155 0.421 0.807 1.00 0.00 C ATOM 161 O ALA A 12 -7.696 1.341 1.387 1.00 0.00 O ATOM 162 CB ALA A 12 -5.750 1.875 -0.639 1.00 0.00 C ATOM 0 H ALA A 12 -7.340 0.300 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.944 -0.271 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.976 1.833 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.285 1.982 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.401 2.729 -0.451 1.00 0.00 H new ATOM 168 N THR A 13 -7.010 -0.740 1.377 1.00 0.00 N ATOM 169 CA THR A 13 -7.523 -0.964 2.761 1.00 0.00 C ATOM 170 C THR A 13 -6.489 -0.437 3.756 1.00 0.00 C ATOM 171 O THR A 13 -5.385 -0.110 3.374 1.00 0.00 O ATOM 172 CB THR A 13 -7.732 -2.464 2.985 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.344 -3.178 1.821 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.206 -2.737 3.287 1.00 0.00 C ATOM 0 H THR A 13 -6.558 -1.547 0.946 1.00 0.00 H new ATOM 0 HA THR A 13 -8.471 -0.444 2.900 1.00 0.00 H new ATOM 0 HB THR A 13 -7.124 -2.791 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.011 -3.042 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.353 -3.805 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.500 -2.193 4.184 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.817 -2.408 2.446 1.00 0.00 H new ATOM 182 N PRO A 14 -6.857 -0.404 5.010 1.00 0.00 N ATOM 183 CA PRO A 14 -5.949 0.034 6.078 1.00 0.00 C ATOM 184 C PRO A 14 -4.952 -1.100 6.336 1.00 0.00 C ATOM 185 O PRO A 14 -4.024 -0.984 7.113 1.00 0.00 O ATOM 186 CB PRO A 14 -6.878 0.269 7.273 1.00 0.00 C ATOM 187 CG PRO A 14 -8.156 -0.561 6.998 1.00 0.00 C ATOM 188 CD PRO A 14 -8.199 -0.810 5.477 1.00 0.00 C ATOM 0 HA PRO A 14 -5.369 0.929 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.403 -0.045 8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.117 1.327 7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.131 -1.504 7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.045 -0.024 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.401 -1.857 5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.983 -0.223 4.998 1.00 0.00 H new ATOM 196 N GLU A 15 -5.163 -2.198 5.659 1.00 0.00 N ATOM 197 CA GLU A 15 -4.290 -3.385 5.782 1.00 0.00 C ATOM 198 C GLU A 15 -3.456 -3.494 4.512 1.00 0.00 C ATOM 199 O GLU A 15 -2.243 -3.539 4.540 1.00 0.00 O ATOM 200 CB GLU A 15 -5.205 -4.599 5.878 1.00 0.00 C ATOM 201 CG GLU A 15 -4.404 -5.880 5.640 1.00 0.00 C ATOM 202 CD GLU A 15 -3.434 -6.100 6.804 1.00 0.00 C ATOM 203 OE1 GLU A 15 -3.293 -5.196 7.610 1.00 0.00 O ATOM 204 OE2 GLU A 15 -2.850 -7.168 6.869 1.00 0.00 O ATOM 0 H GLU A 15 -5.936 -2.317 5.004 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.635 -3.318 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.676 -4.632 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.006 -4.520 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.078 -6.731 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.853 -5.808 4.702 1.00 0.00 H new ATOM 211 N ILE A 16 -4.121 -3.538 3.394 1.00 0.00 N ATOM 212 CA ILE A 16 -3.411 -3.637 2.087 1.00 0.00 C ATOM 213 C ILE A 16 -2.448 -2.469 1.945 1.00 0.00 C ATOM 214 O ILE A 16 -1.311 -2.634 1.558 1.00 0.00 O ATOM 215 CB ILE A 16 -4.435 -3.589 0.953 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.345 -4.810 1.063 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.706 -3.617 -0.391 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.480 -6.072 1.117 1.00 0.00 C ATOM 0 H ILE A 16 -5.138 -3.509 3.327 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.856 -4.574 2.042 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.027 -2.676 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.964 -4.739 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.022 -4.853 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.435 -3.583 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.043 -2.755 -0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.120 -4.533 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.122 -6.950 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.880 -6.141 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.822 -6.025 1.984 1.00 0.00 H new ATOM 230 N GLN A 17 -2.891 -1.291 2.252 1.00 0.00 N ATOM 231 CA GLN A 17 -1.999 -0.114 2.131 1.00 0.00 C ATOM 232 C GLN A 17 -0.774 -0.313 3.028 1.00 0.00 C ATOM 233 O GLN A 17 0.279 0.237 2.784 1.00 0.00 O ATOM 234 CB GLN A 17 -2.767 1.143 2.537 1.00 0.00 C ATOM 235 CG GLN A 17 -2.844 1.250 4.060 1.00 0.00 C ATOM 236 CD GLN A 17 -3.492 2.582 4.446 1.00 0.00 C ATOM 237 OE1 GLN A 17 -4.193 3.236 3.559 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -3.362 3.033 5.566 1.00 0.00 N flip ATOM 0 H GLN A 17 -3.835 -1.090 2.583 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.663 -0.002 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.275 2.026 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.772 1.115 2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.424 0.421 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.845 1.181 4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.815 2.524 6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.800 3.921 5.812 1.00 0.00 H new ATOM 247 N GLU A 18 -0.895 -1.108 4.056 1.00 0.00 N ATOM 248 CA GLU A 18 0.280 -1.345 4.942 1.00 0.00 C ATOM 249 C GLU A 18 1.388 -1.999 4.117 1.00 0.00 C ATOM 250 O GLU A 18 2.558 -1.731 4.308 1.00 0.00 O ATOM 251 CB GLU A 18 -0.121 -2.267 6.096 1.00 0.00 C ATOM 252 CG GLU A 18 1.114 -2.604 6.934 1.00 0.00 C ATOM 253 CD GLU A 18 1.156 -1.705 8.170 1.00 0.00 C ATOM 254 OE1 GLU A 18 0.186 -1.703 8.910 1.00 0.00 O ATOM 255 OE2 GLU A 18 2.157 -1.033 8.355 1.00 0.00 O ATOM 0 H GLU A 18 -1.749 -1.600 4.319 1.00 0.00 H new ATOM 0 HA GLU A 18 0.633 -0.400 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.874 -1.782 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.569 -3.181 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.087 -3.651 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.018 -2.466 6.340 1.00 0.00 H new ATOM 262 N ILE A 19 1.027 -2.842 3.189 1.00 0.00 N ATOM 263 CA ILE A 19 2.057 -3.494 2.332 1.00 0.00 C ATOM 264 C ILE A 19 2.747 -2.406 1.515 1.00 0.00 C ATOM 265 O ILE A 19 3.940 -2.428 1.288 1.00 0.00 O ATOM 266 CB ILE A 19 1.378 -4.501 1.385 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.388 -5.584 1.001 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.888 -3.793 0.111 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.597 -4.930 0.327 1.00 0.00 C ATOM 0 H ILE A 19 0.063 -3.108 2.987 1.00 0.00 H new ATOM 0 HA ILE A 19 2.784 -4.025 2.947 1.00 0.00 H new ATOM 0 HB ILE A 19 0.522 -4.945 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.704 -6.134 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.927 -6.305 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.411 -4.518 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.170 -3.018 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.736 -3.340 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.320 -5.698 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.272 -4.400 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.061 -4.226 1.017 1.00 0.00 H new ATOM 281 N VAL A 20 1.976 -1.457 1.071 1.00 0.00 N ATOM 282 CA VAL A 20 2.524 -0.343 0.260 1.00 0.00 C ATOM 283 C VAL A 20 3.637 0.350 1.045 1.00 0.00 C ATOM 284 O VAL A 20 4.451 1.051 0.491 1.00 0.00 O ATOM 285 CB VAL A 20 1.379 0.621 -0.042 1.00 0.00 C ATOM 286 CG1 VAL A 20 1.909 2.015 -0.401 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.568 0.064 -1.208 1.00 0.00 C ATOM 0 H VAL A 20 0.971 -1.407 1.240 1.00 0.00 H new ATOM 0 HA VAL A 20 2.948 -0.705 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 20 0.754 0.718 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.071 2.680 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.486 2.411 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.547 1.946 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.254 0.742 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.210 -0.035 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.168 -0.914 -0.939 1.00 0.00 H new ATOM 297 N ASP A 21 3.683 0.141 2.331 1.00 0.00 N ATOM 298 CA ASP A 21 4.757 0.766 3.157 1.00 0.00 C ATOM 299 C ASP A 21 5.834 -0.283 3.449 1.00 0.00 C ATOM 300 O ASP A 21 6.974 0.041 3.721 1.00 0.00 O ATOM 301 CB ASP A 21 4.162 1.273 4.472 1.00 0.00 C ATOM 302 CG ASP A 21 4.412 2.777 4.599 1.00 0.00 C ATOM 303 OD1 ASP A 21 5.558 3.154 4.773 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.452 3.525 4.521 1.00 0.00 O ATOM 0 H ASP A 21 3.021 -0.438 2.849 1.00 0.00 H new ATOM 0 HA ASP A 21 5.197 1.605 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.092 1.068 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.612 0.746 5.314 1.00 0.00 H new ATOM 309 N LYS A 22 5.476 -1.539 3.404 1.00 0.00 N ATOM 310 CA LYS A 22 6.467 -2.618 3.688 1.00 0.00 C ATOM 311 C LYS A 22 7.486 -2.706 2.547 1.00 0.00 C ATOM 312 O LYS A 22 8.604 -2.249 2.668 1.00 0.00 O ATOM 313 CB LYS A 22 5.732 -3.955 3.830 1.00 0.00 C ATOM 314 CG LYS A 22 6.333 -4.747 4.991 1.00 0.00 C ATOM 315 CD LYS A 22 5.471 -4.555 6.240 1.00 0.00 C ATOM 316 CE LYS A 22 4.785 -5.877 6.593 1.00 0.00 C ATOM 317 NZ LYS A 22 5.636 -6.636 7.552 1.00 0.00 N ATOM 0 H LYS A 22 4.536 -1.865 3.182 1.00 0.00 H new ATOM 0 HA LYS A 22 6.994 -2.390 4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.670 -3.782 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.813 -4.527 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.388 -5.805 4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.352 -4.412 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.088 -4.219 7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.724 -3.781 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.806 -5.685 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.620 -6.466 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.171 -7.535 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.561 -6.830 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.771 -6.074 8.416 1.00 0.00 H new ATOM 331 N VAL A 23 7.114 -3.291 1.438 1.00 0.00 N ATOM 332 CA VAL A 23 8.066 -3.403 0.301 1.00 0.00 C ATOM 333 C VAL A 23 8.017 -2.125 -0.531 1.00 0.00 C ATOM 334 O VAL A 23 8.753 -1.962 -1.484 1.00 0.00 O ATOM 335 CB VAL A 23 7.666 -4.590 -0.571 1.00 0.00 C ATOM 336 CG1 VAL A 23 8.420 -4.530 -1.897 1.00 0.00 C ATOM 337 CG2 VAL A 23 8.020 -5.880 0.158 1.00 0.00 C ATOM 0 H VAL A 23 6.192 -3.695 1.274 1.00 0.00 H new ATOM 0 HA VAL A 23 9.077 -3.549 0.682 1.00 0.00 H new ATOM 0 HB VAL A 23 6.594 -4.558 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.133 -5.379 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.174 -3.602 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.493 -4.566 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.738 -6.735 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.093 -5.908 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.483 -5.922 1.105 1.00 0.00 H new ATOM 347 N LYS A 24 7.154 -1.216 -0.178 1.00 0.00 N ATOM 348 CA LYS A 24 7.058 0.050 -0.947 1.00 0.00 C ATOM 349 C LYS A 24 7.175 1.248 0.007 1.00 0.00 C ATOM 350 O LYS A 24 6.357 2.144 -0.030 1.00 0.00 O ATOM 351 CB LYS A 24 5.704 0.097 -1.659 1.00 0.00 C ATOM 352 CG LYS A 24 5.778 -0.720 -2.950 1.00 0.00 C ATOM 353 CD LYS A 24 5.332 -2.158 -2.670 1.00 0.00 C ATOM 354 CE LYS A 24 5.510 -3.006 -3.932 1.00 0.00 C ATOM 355 NZ LYS A 24 5.021 -4.390 -3.671 1.00 0.00 N ATOM 0 H LYS A 24 6.512 -1.296 0.610 1.00 0.00 H new ATOM 0 HA LYS A 24 7.865 0.096 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.925 -0.301 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.435 1.129 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.141 -0.272 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.796 -0.713 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.917 -2.578 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.289 -2.171 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.958 -2.564 -4.762 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.560 -3.028 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.337 -5.020 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.403 -4.728 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.982 -4.389 -3.630 1.00 0.00 H new ATOM 369 N PRO A 25 8.193 1.240 0.832 1.00 0.00 N ATOM 370 CA PRO A 25 8.428 2.325 1.804 1.00 0.00 C ATOM 371 C PRO A 25 8.878 3.605 1.093 1.00 0.00 C ATOM 372 O PRO A 25 9.109 4.623 1.714 1.00 0.00 O ATOM 373 CB PRO A 25 9.524 1.768 2.716 1.00 0.00 C ATOM 374 CG PRO A 25 10.233 0.658 1.909 1.00 0.00 C ATOM 375 CD PRO A 25 9.213 0.170 0.862 1.00 0.00 C ATOM 0 HA PRO A 25 7.532 2.603 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.227 2.550 3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.099 1.369 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.133 1.041 1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.544 -0.159 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.677 0.034 -0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.778 -0.789 1.145 1.00 0.00 H new ATOM 383 N GLN A 26 8.971 3.570 -0.206 1.00 0.00 N ATOM 384 CA GLN A 26 9.363 4.783 -0.961 1.00 0.00 C ATOM 385 C GLN A 26 8.247 5.051 -1.958 1.00 0.00 C ATOM 386 O GLN A 26 7.740 6.139 -2.081 1.00 0.00 O ATOM 387 CB GLN A 26 10.679 4.535 -1.702 1.00 0.00 C ATOM 388 CG GLN A 26 11.836 4.536 -0.702 1.00 0.00 C ATOM 389 CD GLN A 26 12.627 3.234 -0.836 1.00 0.00 C ATOM 390 OE1 GLN A 26 12.420 2.476 -1.762 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.532 2.941 0.057 1.00 0.00 N ATOM 0 H GLN A 26 8.790 2.745 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 26 9.510 5.633 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.639 3.580 -2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.835 5.307 -2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.488 5.390 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.453 4.638 0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.706 3.578 0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.066 2.075 -0.023 1.00 0.00 H new ATOM 400 N LEU A 27 7.833 4.035 -2.642 1.00 0.00 N ATOM 401 CA LEU A 27 6.726 4.182 -3.607 1.00 0.00 C ATOM 402 C LEU A 27 5.501 4.741 -2.874 1.00 0.00 C ATOM 403 O LEU A 27 4.571 5.245 -3.472 1.00 0.00 O ATOM 404 CB LEU A 27 6.400 2.792 -4.148 1.00 0.00 C ATOM 405 CG LEU A 27 7.481 2.304 -5.127 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.107 2.718 -6.551 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.858 2.896 -4.786 1.00 0.00 C ATOM 0 H LEU A 27 8.221 3.094 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 27 7.000 4.856 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.313 2.089 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.434 2.813 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 27 7.539 1.219 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.874 2.372 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.148 2.274 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.032 3.804 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.598 2.530 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.810 3.984 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.144 2.595 -3.778 1.00 0.00 H new ATOM 419 N GLU A 28 5.494 4.613 -1.573 1.00 0.00 N ATOM 420 CA GLU A 28 4.336 5.084 -0.753 1.00 0.00 C ATOM 421 C GLU A 28 4.527 6.521 -0.236 1.00 0.00 C ATOM 422 O GLU A 28 3.570 7.173 0.133 1.00 0.00 O ATOM 423 CB GLU A 28 4.172 4.150 0.446 1.00 0.00 C ATOM 424 CG GLU A 28 2.989 4.613 1.297 1.00 0.00 C ATOM 425 CD GLU A 28 3.448 5.720 2.249 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.536 5.596 2.787 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.705 6.672 2.421 1.00 0.00 O ATOM 0 H GLU A 28 6.253 4.196 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 28 3.453 5.075 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.009 3.128 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.083 4.145 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.187 4.979 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.585 3.775 1.865 1.00 0.00 H new ATOM 434 N GLU A 29 5.732 7.024 -0.187 1.00 0.00 N ATOM 435 CA GLU A 29 5.922 8.410 0.332 1.00 0.00 C ATOM 436 C GLU A 29 6.990 9.074 -0.511 1.00 0.00 C ATOM 437 O GLU A 29 8.020 9.503 -0.027 1.00 0.00 O ATOM 438 CB GLU A 29 6.371 8.360 1.794 1.00 0.00 C ATOM 439 CG GLU A 29 7.784 7.781 1.876 1.00 0.00 C ATOM 440 CD GLU A 29 7.888 6.852 3.087 1.00 0.00 C ATOM 441 OE1 GLU A 29 7.404 5.736 2.996 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.449 7.272 4.085 1.00 0.00 O ATOM 0 H GLU A 29 6.582 6.543 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 29 4.989 8.970 0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.351 9.361 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.682 7.748 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.017 7.233 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.514 8.586 1.959 1.00 0.00 H new ATOM 449 N LYS A 30 6.763 9.112 -1.781 1.00 0.00 N ATOM 450 CA LYS A 30 7.754 9.687 -2.700 1.00 0.00 C ATOM 451 C LYS A 30 7.022 10.377 -3.827 1.00 0.00 C ATOM 452 O LYS A 30 7.204 11.550 -4.080 1.00 0.00 O ATOM 453 CB LYS A 30 8.557 8.516 -3.230 1.00 0.00 C ATOM 454 CG LYS A 30 9.949 8.978 -3.668 1.00 0.00 C ATOM 455 CD LYS A 30 10.061 8.897 -5.191 1.00 0.00 C ATOM 456 CE LYS A 30 10.645 7.539 -5.590 1.00 0.00 C ATOM 457 NZ LYS A 30 11.911 7.745 -6.349 1.00 0.00 N ATOM 0 H LYS A 30 5.915 8.761 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 30 8.403 10.416 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.647 7.750 -2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.036 8.061 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.126 10.001 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.713 8.355 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.079 9.030 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.696 9.701 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.835 6.938 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.929 6.988 -6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.307 6.822 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.716 8.303 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.594 8.254 -5.753 1.00 0.00 H new ATOM 471 N THR A 31 6.164 9.661 -4.482 1.00 0.00 N ATOM 472 CA THR A 31 5.374 10.271 -5.572 1.00 0.00 C ATOM 473 C THR A 31 4.827 11.596 -5.047 1.00 0.00 C ATOM 474 O THR A 31 4.590 12.532 -5.783 1.00 0.00 O ATOM 475 CB THR A 31 4.238 9.308 -5.932 1.00 0.00 C ATOM 476 OG1 THR A 31 3.944 9.419 -7.317 1.00 0.00 O ATOM 477 CG2 THR A 31 2.978 9.618 -5.111 1.00 0.00 C ATOM 0 H THR A 31 5.975 8.674 -4.308 1.00 0.00 H new ATOM 0 HA THR A 31 5.971 10.454 -6.466 1.00 0.00 H new ATOM 0 HB THR A 31 4.558 8.292 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.152 9.983 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.185 8.921 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.201 9.515 -4.049 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.652 10.638 -5.316 1.00 0.00 H new ATOM 485 N ASN A 32 4.644 11.665 -3.752 1.00 0.00 N ATOM 486 CA ASN A 32 4.133 12.903 -3.124 1.00 0.00 C ATOM 487 C ASN A 32 3.032 13.498 -4.005 1.00 0.00 C ATOM 488 O ASN A 32 2.994 14.685 -4.264 1.00 0.00 O ATOM 489 CB ASN A 32 5.307 13.880 -2.947 1.00 0.00 C ATOM 490 CG ASN A 32 5.539 14.684 -4.232 1.00 0.00 C ATOM 491 OD1 ASN A 32 5.048 15.789 -4.366 1.00 0.00 O ATOM 492 ND2 ASN A 32 6.272 14.179 -5.184 1.00 0.00 N ATOM 0 H ASN A 32 4.832 10.902 -3.102 1.00 0.00 H new ATOM 0 HA ASN A 32 3.702 12.696 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.101 14.559 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.211 13.328 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.433 14.710 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.684 13.253 -5.073 1.00 0.00 H new ATOM 499 N GLU A 33 2.123 12.676 -4.468 1.00 0.00 N ATOM 500 CA GLU A 33 1.028 13.202 -5.332 1.00 0.00 C ATOM 501 C GLU A 33 0.192 14.203 -4.537 1.00 0.00 C ATOM 502 O GLU A 33 0.234 14.236 -3.324 1.00 0.00 O ATOM 503 CB GLU A 33 0.133 12.049 -5.795 1.00 0.00 C ATOM 504 CG GLU A 33 -0.478 12.396 -7.154 1.00 0.00 C ATOM 505 CD GLU A 33 0.640 12.688 -8.155 1.00 0.00 C ATOM 506 OE1 GLU A 33 1.759 12.270 -7.901 1.00 0.00 O ATOM 507 OE2 GLU A 33 0.359 13.323 -9.158 1.00 0.00 O ATOM 0 H GLU A 33 2.093 11.673 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 33 1.462 13.694 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.714 11.130 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.656 11.870 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.093 11.569 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.132 13.263 -7.060 1.00 0.00 H new ATOM 514 N THR A 34 -0.574 15.017 -5.211 1.00 0.00 N ATOM 515 CA THR A 34 -1.419 16.009 -4.489 1.00 0.00 C ATOM 516 C THR A 34 -2.789 15.393 -4.215 1.00 0.00 C ATOM 517 O THR A 34 -3.797 16.070 -4.170 1.00 0.00 O ATOM 518 CB THR A 34 -1.576 17.275 -5.336 1.00 0.00 C ATOM 519 OG1 THR A 34 -2.623 18.072 -4.800 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.912 16.893 -6.778 1.00 0.00 C ATOM 0 H THR A 34 -0.651 15.038 -6.228 1.00 0.00 H new ATOM 0 HA THR A 34 -0.943 16.276 -3.545 1.00 0.00 H new ATOM 0 HB THR A 34 -0.643 17.838 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.443 17.539 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.023 17.797 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.109 16.281 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.844 16.328 -6.797 1.00 0.00 H new ATOM 528 N TYR A 35 -2.819 14.107 -4.018 1.00 0.00 N ATOM 529 CA TYR A 35 -4.100 13.408 -3.728 1.00 0.00 C ATOM 530 C TYR A 35 -3.810 12.227 -2.809 1.00 0.00 C ATOM 531 O TYR A 35 -2.737 12.106 -2.253 1.00 0.00 O ATOM 532 CB TYR A 35 -4.720 12.862 -5.018 1.00 0.00 C ATOM 533 CG TYR A 35 -4.386 13.763 -6.184 1.00 0.00 C ATOM 534 CD1 TYR A 35 -4.925 15.054 -6.251 1.00 0.00 C ATOM 535 CD2 TYR A 35 -3.549 13.301 -7.209 1.00 0.00 C ATOM 536 CE1 TYR A 35 -4.628 15.882 -7.340 1.00 0.00 C ATOM 537 CE2 TYR A 35 -3.250 14.132 -8.296 1.00 0.00 C ATOM 538 CZ TYR A 35 -3.790 15.422 -8.362 1.00 0.00 C ATOM 539 OH TYR A 35 -3.495 16.239 -9.434 1.00 0.00 O ATOM 0 H TYR A 35 -1.999 13.501 -4.046 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.790 14.114 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.349 11.855 -5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.802 12.787 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.570 15.411 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.135 12.305 -7.161 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.046 16.877 -7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.602 13.777 -9.084 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.899 15.766 -10.052 1.00 0.00 H new ATOM 549 N GLY A 36 -4.748 11.338 -2.672 1.00 0.00 N ATOM 550 CA GLY A 36 -4.514 10.147 -1.820 1.00 0.00 C ATOM 551 C GLY A 36 -4.123 8.985 -2.730 1.00 0.00 C ATOM 552 O GLY A 36 -4.934 8.140 -3.053 1.00 0.00 O ATOM 0 H GLY A 36 -5.666 11.385 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.724 10.346 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.412 9.902 -1.253 1.00 0.00 H new ATOM 556 N LYS A 37 -2.884 8.931 -3.149 1.00 0.00 N ATOM 557 CA LYS A 37 -2.458 7.822 -4.029 1.00 0.00 C ATOM 558 C LYS A 37 -1.099 7.362 -3.535 1.00 0.00 C ATOM 559 O LYS A 37 -0.278 6.880 -4.263 1.00 0.00 O ATOM 560 CB LYS A 37 -2.360 8.306 -5.476 1.00 0.00 C ATOM 561 CG LYS A 37 -3.712 8.111 -6.165 1.00 0.00 C ATOM 562 CD LYS A 37 -4.542 9.389 -6.034 1.00 0.00 C ATOM 563 CE LYS A 37 -4.476 10.177 -7.342 1.00 0.00 C ATOM 564 NZ LYS A 37 -5.317 9.503 -8.373 1.00 0.00 N ATOM 0 H LYS A 37 -2.158 9.608 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.178 7.004 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.074 9.357 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.585 7.752 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.564 7.867 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.243 7.272 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.577 9.140 -5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.165 9.997 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.826 11.197 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.444 10.244 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.551 10.180 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.793 8.701 -8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.194 9.158 -7.934 1.00 0.00 H new ATOM 578 N LEU A 38 -0.861 7.542 -2.285 1.00 0.00 N ATOM 579 CA LEU A 38 0.434 7.173 -1.692 1.00 0.00 C ATOM 580 C LEU A 38 0.203 6.006 -0.749 1.00 0.00 C ATOM 581 O LEU A 38 0.440 6.098 0.435 1.00 0.00 O ATOM 582 CB LEU A 38 0.876 8.364 -0.887 1.00 0.00 C ATOM 583 CG LEU A 38 1.358 9.501 -1.803 1.00 0.00 C ATOM 584 CD1 LEU A 38 2.875 9.408 -1.946 1.00 0.00 C ATOM 585 CD2 LEU A 38 0.729 9.419 -3.199 1.00 0.00 C ATOM 0 H LEU A 38 -1.530 7.942 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 38 1.172 6.899 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.050 8.716 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.679 8.072 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 38 1.059 10.447 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.229 10.210 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.339 9.503 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.141 8.445 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.097 10.241 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.998 8.470 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.356 9.487 -3.114 1.00 0.00 H new ATOM 597 N GLU A 39 -0.303 4.933 -1.256 1.00 0.00 N ATOM 598 CA GLU A 39 -0.613 3.780 -0.384 1.00 0.00 C ATOM 599 C GLU A 39 -1.106 2.644 -1.274 1.00 0.00 C ATOM 600 O GLU A 39 -0.881 2.645 -2.465 1.00 0.00 O ATOM 601 CB GLU A 39 -1.722 4.213 0.583 1.00 0.00 C ATOM 602 CG GLU A 39 -1.238 4.078 2.033 1.00 0.00 C ATOM 603 CD GLU A 39 -0.778 5.439 2.554 1.00 0.00 C ATOM 604 OE1 GLU A 39 -1.629 6.284 2.779 1.00 0.00 O ATOM 605 OE2 GLU A 39 0.417 5.615 2.720 1.00 0.00 O ATOM 0 H GLU A 39 -0.518 4.801 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 39 0.258 3.450 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.009 5.245 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.610 3.600 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.042 3.691 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.418 3.362 2.087 1.00 0.00 H new ATOM 612 N ALA A 40 -1.799 1.693 -0.739 1.00 0.00 N ATOM 613 CA ALA A 40 -2.310 0.605 -1.615 1.00 0.00 C ATOM 614 C ALA A 40 -3.313 1.204 -2.596 1.00 0.00 C ATOM 615 O ALA A 40 -3.893 2.243 -2.359 1.00 0.00 O ATOM 616 CB ALA A 40 -2.994 -0.469 -0.768 1.00 0.00 C ATOM 0 H ALA A 40 -2.035 1.616 0.250 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.483 0.147 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.365 -1.262 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.277 -0.885 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.827 -0.026 -0.223 1.00 0.00 H new ATOM 622 N VAL A 41 -3.512 0.550 -3.697 1.00 0.00 N ATOM 623 CA VAL A 41 -4.470 1.049 -4.714 1.00 0.00 C ATOM 624 C VAL A 41 -5.800 0.343 -4.488 1.00 0.00 C ATOM 625 O VAL A 41 -6.863 0.907 -4.654 1.00 0.00 O ATOM 626 CB VAL A 41 -3.913 0.723 -6.117 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.835 -0.238 -6.852 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.795 2.003 -6.941 1.00 0.00 C ATOM 0 H VAL A 41 -3.045 -0.323 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.612 2.127 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.933 0.263 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.424 -0.454 -7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.922 -1.164 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.820 0.215 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.401 1.765 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.778 2.462 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.121 2.698 -6.440 1.00 0.00 H new ATOM 638 N GLN A 42 -5.732 -0.903 -4.134 1.00 0.00 N ATOM 639 CA GLN A 42 -6.977 -1.679 -3.921 1.00 0.00 C ATOM 640 C GLN A 42 -6.623 -3.158 -3.857 1.00 0.00 C ATOM 641 O GLN A 42 -5.540 -3.566 -4.229 1.00 0.00 O ATOM 642 CB GLN A 42 -7.949 -1.378 -5.091 1.00 0.00 C ATOM 643 CG GLN A 42 -8.483 -2.670 -5.747 1.00 0.00 C ATOM 644 CD GLN A 42 -7.349 -3.368 -6.501 1.00 0.00 C ATOM 645 OE1 GLN A 42 -7.091 -4.617 -6.232 1.00 0.00 O flip ATOM 646 NE2 GLN A 42 -6.695 -2.775 -7.338 1.00 0.00 N flip ATOM 0 H GLN A 42 -4.866 -1.420 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.464 -1.402 -2.986 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.787 -0.785 -4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.437 -0.775 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.891 -3.335 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.297 -2.433 -6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.899 -1.798 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.942 -3.255 -7.831 1.00 0.00 H new ATOM 655 N TYR A 43 -7.528 -3.960 -3.401 1.00 0.00 N ATOM 656 CA TYR A 43 -7.246 -5.406 -3.329 1.00 0.00 C ATOM 657 C TYR A 43 -8.500 -6.181 -3.712 1.00 0.00 C ATOM 658 O TYR A 43 -9.518 -6.101 -3.051 1.00 0.00 O ATOM 659 CB TYR A 43 -6.830 -5.774 -1.918 1.00 0.00 C ATOM 660 CG TYR A 43 -7.991 -5.551 -0.981 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.384 -4.251 -0.631 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.683 -6.651 -0.471 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.473 -4.063 0.234 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.770 -6.463 0.390 1.00 0.00 C ATOM 665 CZ TYR A 43 -10.166 -5.168 0.741 1.00 0.00 C ATOM 666 OH TYR A 43 -11.239 -4.982 1.589 1.00 0.00 O ATOM 0 H TYR A 43 -8.452 -3.677 -3.075 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.438 -5.656 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.513 -6.816 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.977 -5.170 -1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.851 -3.398 -1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.378 -7.651 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.777 -3.064 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.302 -7.316 0.783 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.607 -5.853 1.847 1.00 0.00 H new ATOM 676 N LYS A 44 -8.437 -6.928 -4.773 1.00 0.00 N ATOM 677 CA LYS A 44 -9.626 -7.706 -5.191 1.00 0.00 C ATOM 678 C LYS A 44 -9.510 -9.106 -4.600 1.00 0.00 C ATOM 679 O LYS A 44 -8.436 -9.556 -4.256 1.00 0.00 O ATOM 680 CB LYS A 44 -9.699 -7.771 -6.726 1.00 0.00 C ATOM 681 CG LYS A 44 -10.484 -9.008 -7.190 1.00 0.00 C ATOM 682 CD LYS A 44 -11.119 -8.729 -8.554 1.00 0.00 C ATOM 683 CE LYS A 44 -12.522 -8.139 -8.366 1.00 0.00 C ATOM 684 NZ LYS A 44 -13.433 -8.680 -9.416 1.00 0.00 N ATOM 0 H LYS A 44 -7.615 -7.033 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.537 -7.228 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.176 -6.869 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.691 -7.799 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.820 -9.870 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.256 -9.256 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.496 -8.036 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.177 -9.651 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.903 -8.387 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.482 -7.052 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.717 -7.913 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.939 -9.419 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.278 -9.086 -8.966 1.00 0.00 H new ATOM 698 N THR A 45 -10.598 -9.794 -4.461 1.00 0.00 N ATOM 699 CA THR A 45 -10.528 -11.160 -3.876 1.00 0.00 C ATOM 700 C THR A 45 -11.035 -12.188 -4.884 1.00 0.00 C ATOM 701 O THR A 45 -12.051 -12.007 -5.524 1.00 0.00 O ATOM 702 CB THR A 45 -11.390 -11.215 -2.615 1.00 0.00 C ATOM 703 OG1 THR A 45 -12.512 -10.359 -2.773 1.00 0.00 O ATOM 704 CG2 THR A 45 -10.567 -10.764 -1.407 1.00 0.00 C ATOM 0 H THR A 45 -11.531 -9.476 -4.724 1.00 0.00 H new ATOM 0 HA THR A 45 -9.492 -11.389 -3.625 1.00 0.00 H new ATOM 0 HB THR A 45 -11.732 -12.238 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.067 -10.394 -1.966 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.185 -10.805 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.708 -11.423 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.221 -9.742 -1.563 1.00 0.00 H new ATOM 712 N GLN A 46 -10.329 -13.274 -5.013 1.00 0.00 N ATOM 713 CA GLN A 46 -10.746 -14.339 -5.960 1.00 0.00 C ATOM 714 C GLN A 46 -10.092 -15.650 -5.527 1.00 0.00 C ATOM 715 O GLN A 46 -8.889 -15.732 -5.409 1.00 0.00 O ATOM 716 CB GLN A 46 -10.291 -13.979 -7.377 1.00 0.00 C ATOM 717 CG GLN A 46 -8.764 -13.965 -7.432 1.00 0.00 C ATOM 718 CD GLN A 46 -8.306 -13.387 -8.772 1.00 0.00 C ATOM 719 OE1 GLN A 46 -8.194 -14.102 -9.749 1.00 0.00 O ATOM 720 NE2 GLN A 46 -8.032 -12.113 -8.859 1.00 0.00 N ATOM 0 H GLN A 46 -9.472 -13.470 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.831 -14.441 -5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.685 -14.701 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.685 -13.003 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.366 -13.368 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.376 -14.976 -7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.126 -11.514 -8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.724 -11.717 -9.747 1.00 0.00 H new ATOM 729 N VAL A 47 -10.875 -16.664 -5.274 1.00 0.00 N ATOM 730 CA VAL A 47 -10.308 -17.968 -4.832 1.00 0.00 C ATOM 731 C VAL A 47 -9.276 -18.463 -5.830 1.00 0.00 C ATOM 732 O VAL A 47 -8.691 -17.695 -6.563 1.00 0.00 O ATOM 733 CB VAL A 47 -11.437 -18.990 -4.709 1.00 0.00 C ATOM 734 CG1 VAL A 47 -12.600 -18.371 -3.929 1.00 0.00 C ATOM 735 CG2 VAL A 47 -11.919 -19.388 -6.106 1.00 0.00 C ATOM 0 H VAL A 47 -11.892 -16.643 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.821 -17.836 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.073 -19.873 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.407 -19.099 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.259 -18.084 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.963 -17.489 -4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.724 -20.117 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.284 -18.505 -6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.092 -19.826 -6.665 1.00 0.00 H new ATOM 745 N VAL A 48 -9.025 -19.742 -5.822 1.00 0.00 N ATOM 746 CA VAL A 48 -8.000 -20.320 -6.728 1.00 0.00 C ATOM 747 C VAL A 48 -7.734 -21.750 -6.271 1.00 0.00 C ATOM 748 O VAL A 48 -7.708 -22.692 -7.036 1.00 0.00 O ATOM 749 CB VAL A 48 -6.717 -19.465 -6.593 1.00 0.00 C ATOM 750 CG1 VAL A 48 -5.658 -20.144 -5.717 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.135 -19.186 -7.979 1.00 0.00 C ATOM 0 H VAL A 48 -9.493 -20.418 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.327 -20.324 -7.768 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.996 -18.530 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.776 -19.506 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.062 -20.307 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.381 -21.102 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.232 -18.584 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.890 -20.129 -8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.867 -18.646 -8.579 1.00 0.00 H new ATOM 761 N ALA A 49 -7.509 -21.867 -5.002 1.00 0.00 N ATOM 762 CA ALA A 49 -7.196 -23.173 -4.360 1.00 0.00 C ATOM 763 C ALA A 49 -6.395 -22.841 -3.105 1.00 0.00 C ATOM 764 O ALA A 49 -5.333 -23.370 -2.854 1.00 0.00 O ATOM 765 CB ALA A 49 -6.362 -24.040 -5.305 1.00 0.00 C ATOM 0 H ALA A 49 -7.529 -21.081 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.102 -23.730 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.140 -24.992 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.921 -24.219 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.430 -23.527 -5.542 1.00 0.00 H new ATOM 771 N GLY A 50 -6.913 -21.917 -2.347 1.00 0.00 N ATOM 772 CA GLY A 50 -6.239 -21.436 -1.111 1.00 0.00 C ATOM 773 C GLY A 50 -6.760 -20.021 -0.853 1.00 0.00 C ATOM 774 O GLY A 50 -6.820 -19.565 0.271 1.00 0.00 O ATOM 0 H GLY A 50 -7.805 -21.461 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.461 -22.091 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.156 -21.434 -1.236 1.00 0.00 H new ATOM 778 N THR A 51 -7.152 -19.356 -1.925 1.00 0.00 N ATOM 779 CA THR A 51 -7.721 -17.970 -1.876 1.00 0.00 C ATOM 780 C THR A 51 -6.732 -16.966 -2.474 1.00 0.00 C ATOM 781 O THR A 51 -5.784 -16.553 -1.834 1.00 0.00 O ATOM 782 CB THR A 51 -8.057 -17.567 -0.448 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.897 -18.553 0.139 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.781 -16.221 -0.457 1.00 0.00 C ATOM 0 H THR A 51 -7.095 -19.740 -2.868 1.00 0.00 H new ATOM 0 HA THR A 51 -8.639 -17.966 -2.464 1.00 0.00 H new ATOM 0 HB THR A 51 -7.138 -17.482 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.360 -19.144 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.022 -15.931 0.566 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.137 -15.465 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.700 -16.306 -1.037 1.00 0.00 H new ATOM 792 N ASN A 52 -6.950 -16.570 -3.702 1.00 0.00 N ATOM 793 CA ASN A 52 -6.028 -15.592 -4.354 1.00 0.00 C ATOM 794 C ASN A 52 -6.346 -14.164 -3.889 1.00 0.00 C ATOM 795 O ASN A 52 -7.454 -13.854 -3.503 1.00 0.00 O ATOM 796 CB ASN A 52 -6.223 -15.658 -5.867 1.00 0.00 C ATOM 797 CG ASN A 52 -4.873 -15.865 -6.553 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.580 -15.227 -7.544 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.032 -16.735 -6.066 1.00 0.00 N ATOM 0 H ASN A 52 -7.728 -16.883 -4.282 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.002 -15.842 -4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.899 -16.474 -6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.686 -14.738 -6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.129 -16.879 -6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.278 -17.271 -5.234 1.00 0.00 H new ATOM 806 N TYR A 53 -5.377 -13.287 -3.956 1.00 0.00 N ATOM 807 CA TYR A 53 -5.610 -11.867 -3.558 1.00 0.00 C ATOM 808 C TYR A 53 -4.864 -10.955 -4.529 1.00 0.00 C ATOM 809 O TYR A 53 -3.675 -11.087 -4.735 1.00 0.00 O ATOM 810 CB TYR A 53 -5.087 -11.603 -2.142 1.00 0.00 C ATOM 811 CG TYR A 53 -5.671 -12.592 -1.160 1.00 0.00 C ATOM 812 CD1 TYR A 53 -7.048 -12.603 -0.906 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.829 -13.485 -0.486 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.580 -13.503 0.025 1.00 0.00 C ATOM 815 CE2 TYR A 53 -5.361 -14.389 0.439 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.737 -14.398 0.696 1.00 0.00 C ATOM 817 OH TYR A 53 -7.257 -15.284 1.616 1.00 0.00 O ATOM 0 H TYR A 53 -4.430 -13.495 -4.271 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.682 -11.670 -3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.999 -11.674 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.343 -10.588 -1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.699 -11.918 -1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.767 -13.476 -0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.641 -13.507 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.711 -15.080 0.955 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.534 -15.832 1.987 1.00 0.00 H new ATOM 827 N TYR A 54 -5.558 -10.033 -5.126 1.00 0.00 N ATOM 828 CA TYR A 54 -4.905 -9.103 -6.090 1.00 0.00 C ATOM 829 C TYR A 54 -4.636 -7.767 -5.395 1.00 0.00 C ATOM 830 O TYR A 54 -5.505 -6.924 -5.323 1.00 0.00 O ATOM 831 CB TYR A 54 -5.855 -8.878 -7.266 1.00 0.00 C ATOM 832 CG TYR A 54 -5.078 -8.891 -8.563 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.266 -9.986 -8.880 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.172 -7.810 -9.448 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.547 -10.001 -10.082 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.452 -7.824 -10.649 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.640 -8.919 -10.966 1.00 0.00 C ATOM 838 OH TYR A 54 -2.932 -8.934 -12.151 1.00 0.00 O ATOM 0 H TYR A 54 -6.557 -9.880 -4.989 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.964 -9.525 -6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.619 -9.655 -7.282 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.372 -7.925 -7.151 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.194 -10.820 -8.197 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.800 -6.966 -9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.921 -10.847 -10.327 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.523 -6.990 -11.331 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.109 -8.108 -12.648 1.00 0.00 H new ATOM 848 N ILE A 55 -3.454 -7.557 -4.870 1.00 0.00 N ATOM 849 CA ILE A 55 -3.185 -6.271 -4.178 1.00 0.00 C ATOM 850 C ILE A 55 -2.515 -5.283 -5.125 1.00 0.00 C ATOM 851 O ILE A 55 -1.310 -5.128 -5.130 1.00 0.00 O ATOM 852 CB ILE A 55 -2.272 -6.513 -2.974 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.846 -7.631 -2.101 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.163 -5.231 -2.148 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.297 -7.313 -1.751 1.00 0.00 C ATOM 0 H ILE A 55 -2.675 -8.216 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.135 -5.854 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.284 -6.805 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.789 -8.583 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.256 -7.735 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.513 -5.405 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.746 -4.435 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.153 -4.938 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.704 -8.110 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.342 -6.370 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.883 -7.232 -2.667 1.00 0.00 H new ATOM 867 N LYS A 56 -3.293 -4.576 -5.892 1.00 0.00 N ATOM 868 CA LYS A 56 -2.718 -3.558 -6.797 1.00 0.00 C ATOM 869 C LYS A 56 -2.300 -2.390 -5.908 1.00 0.00 C ATOM 870 O LYS A 56 -3.133 -1.776 -5.276 1.00 0.00 O ATOM 871 CB LYS A 56 -3.801 -3.117 -7.775 1.00 0.00 C ATOM 872 CG LYS A 56 -3.187 -2.256 -8.881 1.00 0.00 C ATOM 873 CD LYS A 56 -4.257 -1.932 -9.924 1.00 0.00 C ATOM 874 CE LYS A 56 -3.590 -1.583 -11.254 1.00 0.00 C ATOM 875 NZ LYS A 56 -4.554 -0.840 -12.110 1.00 0.00 N ATOM 0 H LYS A 56 -4.309 -4.663 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.868 -3.935 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.287 -3.990 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.571 -2.553 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.784 -1.335 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.355 -2.783 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.923 -2.785 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.870 -1.098 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.700 -0.978 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.263 -2.492 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.372 -1.060 -13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.525 -1.122 -11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.440 0.182 -11.954 1.00 0.00 H new ATOM 889 N VAL A 57 -1.034 -2.094 -5.800 1.00 0.00 N ATOM 890 CA VAL A 57 -0.637 -0.986 -4.881 1.00 0.00 C ATOM 891 C VAL A 57 -0.586 0.353 -5.618 1.00 0.00 C ATOM 892 O VAL A 57 -0.203 0.447 -6.768 1.00 0.00 O ATOM 893 CB VAL A 57 0.721 -1.288 -4.215 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.541 -2.210 -5.087 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.488 0.014 -3.965 1.00 0.00 C ATOM 0 H VAL A 57 -0.272 -2.558 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.396 -0.913 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 57 0.537 -1.780 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.496 -2.414 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.002 -3.146 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.717 -1.736 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.445 -0.212 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.661 0.522 -4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.905 0.660 -3.309 1.00 0.00 H new ATOM 905 N ARG A 58 -0.969 1.387 -4.926 1.00 0.00 N ATOM 906 CA ARG A 58 -0.961 2.757 -5.502 1.00 0.00 C ATOM 907 C ARG A 58 0.315 3.477 -5.066 1.00 0.00 C ATOM 908 O ARG A 58 0.695 3.433 -3.914 1.00 0.00 O ATOM 909 CB ARG A 58 -2.214 3.494 -4.966 1.00 0.00 C ATOM 910 CG ARG A 58 -1.882 4.829 -4.256 1.00 0.00 C ATOM 911 CD ARG A 58 -2.709 4.951 -2.974 1.00 0.00 C ATOM 912 NE ARG A 58 -4.090 4.497 -3.252 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.108 5.129 -2.736 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.963 5.822 -1.641 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.275 5.070 -3.320 1.00 0.00 N ATOM 0 H ARG A 58 -1.295 1.337 -3.961 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.983 2.730 -6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.894 3.691 -5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.741 2.841 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.819 4.872 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.095 5.667 -4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.266 4.349 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.714 5.984 -2.625 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.247 3.686 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.052 5.871 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.761 6.315 -1.240 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.389 4.530 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.072 5.563 -2.918 1.00 0.00 H new ATOM 929 N ALA A 59 0.951 4.185 -5.945 1.00 0.00 N ATOM 930 CA ALA A 59 2.150 4.938 -5.513 1.00 0.00 C ATOM 931 C ALA A 59 1.997 6.368 -5.998 1.00 0.00 C ATOM 932 O ALA A 59 2.955 7.099 -6.116 1.00 0.00 O ATOM 933 CB ALA A 59 3.415 4.295 -6.081 1.00 0.00 C ATOM 0 H ALA A 59 0.699 4.275 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 59 2.242 4.924 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.288 4.860 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.493 3.268 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.367 4.298 -7.170 1.00 0.00 H new ATOM 939 N GLY A 60 0.785 6.781 -6.260 1.00 0.00 N ATOM 940 CA GLY A 60 0.570 8.184 -6.710 1.00 0.00 C ATOM 941 C GLY A 60 -0.116 8.187 -8.078 1.00 0.00 C ATOM 942 O GLY A 60 -0.815 7.260 -8.435 1.00 0.00 O ATOM 0 H GLY A 60 -0.058 6.212 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.042 8.719 -5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.524 8.707 -6.770 1.00 0.00 H new ATOM 946 N ASP A 61 0.076 9.224 -8.845 1.00 0.00 N ATOM 947 CA ASP A 61 -0.569 9.284 -10.187 1.00 0.00 C ATOM 948 C ASP A 61 0.371 8.684 -11.233 1.00 0.00 C ATOM 949 O ASP A 61 -0.058 8.044 -12.172 1.00 0.00 O ATOM 950 CB ASP A 61 -0.870 10.742 -10.543 1.00 0.00 C ATOM 951 CG ASP A 61 -1.962 10.788 -11.614 1.00 0.00 C ATOM 952 OD1 ASP A 61 -1.747 10.227 -12.677 1.00 0.00 O ATOM 953 OD2 ASP A 61 -2.994 11.384 -11.354 1.00 0.00 O ATOM 0 H ASP A 61 0.650 10.031 -8.602 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.499 8.716 -10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.193 11.286 -9.655 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.033 11.233 -10.907 1.00 0.00 H new ATOM 958 N ASN A 62 1.649 8.890 -11.084 1.00 0.00 N ATOM 959 CA ASN A 62 2.613 8.337 -12.069 1.00 0.00 C ATOM 960 C ASN A 62 3.110 6.970 -11.594 1.00 0.00 C ATOM 961 O ASN A 62 3.514 6.138 -12.383 1.00 0.00 O ATOM 962 CB ASN A 62 3.800 9.289 -12.215 1.00 0.00 C ATOM 963 CG ASN A 62 4.546 9.385 -10.884 1.00 0.00 C ATOM 964 OD1 ASN A 62 5.498 8.667 -10.653 1.00 0.00 O ATOM 965 ND2 ASN A 62 4.150 10.251 -9.991 1.00 0.00 N ATOM 0 H ASN A 62 2.067 9.420 -10.319 1.00 0.00 H new ATOM 0 HA ASN A 62 2.117 8.225 -13.033 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.472 8.932 -12.995 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.452 10.276 -12.521 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.640 10.325 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.351 10.854 -10.185 1.00 0.00 H new ATOM 972 N LYS A 63 3.088 6.731 -10.311 1.00 0.00 N ATOM 973 CA LYS A 63 3.562 5.419 -9.793 1.00 0.00 C ATOM 974 C LYS A 63 2.377 4.450 -9.709 1.00 0.00 C ATOM 975 O LYS A 63 1.259 4.837 -9.421 1.00 0.00 O ATOM 976 CB LYS A 63 4.179 5.613 -8.418 1.00 0.00 C ATOM 977 CG LYS A 63 5.239 6.710 -8.481 1.00 0.00 C ATOM 978 CD LYS A 63 6.170 6.586 -7.275 1.00 0.00 C ATOM 979 CE LYS A 63 7.624 6.650 -7.743 1.00 0.00 C ATOM 980 NZ LYS A 63 8.288 5.343 -7.478 1.00 0.00 N ATOM 0 H LYS A 63 2.763 7.387 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 63 4.314 5.005 -10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.407 5.881 -7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.627 4.680 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.810 6.626 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.763 7.691 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.970 7.388 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.985 5.646 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.665 6.882 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.150 7.450 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.238 5.344 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.366 5.195 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.724 4.576 -7.896 1.00 0.00 H new ATOM 994 N TYR A 64 2.616 3.194 -9.963 1.00 0.00 N ATOM 995 CA TYR A 64 1.508 2.202 -9.932 1.00 0.00 C ATOM 996 C TYR A 64 2.107 0.816 -9.752 1.00 0.00 C ATOM 997 O TYR A 64 2.465 0.154 -10.702 1.00 0.00 O ATOM 998 CB TYR A 64 0.768 2.266 -11.269 1.00 0.00 C ATOM 999 CG TYR A 64 -0.711 2.399 -11.023 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -1.462 1.282 -10.640 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.336 3.643 -11.179 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.837 1.408 -10.413 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.711 3.769 -10.952 1.00 0.00 C ATOM 1004 CZ TYR A 64 -3.461 2.650 -10.569 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.817 2.775 -10.344 1.00 0.00 O ATOM 0 H TYR A 64 3.534 2.812 -10.191 1.00 0.00 H new ATOM 0 HA TYR A 64 0.819 2.415 -9.115 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.127 3.113 -11.854 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.970 1.367 -11.851 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.980 0.323 -10.520 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.756 4.505 -11.475 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.417 0.546 -10.117 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.193 4.728 -11.072 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.089 3.704 -10.496 1.00 0.00 H new ATOM 1015 N LEU A 65 2.238 0.377 -8.543 1.00 0.00 N ATOM 1016 CA LEU A 65 2.848 -0.952 -8.308 1.00 0.00 C ATOM 1017 C LEU A 65 1.779 -2.027 -8.274 1.00 0.00 C ATOM 1018 O LEU A 65 0.619 -1.775 -8.535 1.00 0.00 O ATOM 1019 CB LEU A 65 3.605 -0.921 -6.989 1.00 0.00 C ATOM 1020 CG LEU A 65 4.636 0.222 -7.051 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.934 1.564 -6.844 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.674 0.047 -5.941 1.00 0.00 C ATOM 0 H LEU A 65 1.949 0.880 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 65 3.536 -1.184 -9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.916 -0.766 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.104 -1.874 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 65 5.123 0.199 -8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.668 2.369 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.188 1.709 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.445 1.572 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.400 0.859 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.176 0.064 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.186 -0.907 -6.069 1.00 0.00 H new ATOM 1034 N HIS A 66 2.150 -3.232 -7.954 1.00 0.00 N ATOM 1035 CA HIS A 66 1.134 -4.296 -7.923 1.00 0.00 C ATOM 1036 C HIS A 66 1.617 -5.500 -7.112 1.00 0.00 C ATOM 1037 O HIS A 66 2.798 -5.748 -6.967 1.00 0.00 O ATOM 1038 CB HIS A 66 0.849 -4.718 -9.353 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.519 -5.298 -9.404 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.551 -4.685 -10.077 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -1.048 -6.417 -8.829 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.646 -5.429 -9.886 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.400 -6.503 -9.134 1.00 0.00 N ATOM 0 H HIS A 66 3.100 -3.517 -7.717 1.00 0.00 H new ATOM 0 HA HIS A 66 0.230 -3.918 -7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.924 -3.862 -10.024 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.585 -5.450 -9.687 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.499 -7.127 -8.228 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.617 -5.188 -10.293 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.059 -7.227 -8.847 1.00 0.00 H new ATOM 1051 N LEU A 67 0.685 -6.237 -6.578 1.00 0.00 N ATOM 1052 CA LEU A 67 1.009 -7.436 -5.757 1.00 0.00 C ATOM 1053 C LEU A 67 -0.151 -8.407 -5.863 1.00 0.00 C ATOM 1054 O LEU A 67 -1.233 -8.067 -6.295 1.00 0.00 O ATOM 1055 CB LEU A 67 1.134 -7.011 -4.295 1.00 0.00 C ATOM 1056 CG LEU A 67 1.070 -8.233 -3.363 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.352 -9.048 -3.470 1.00 0.00 C ATOM 1058 CD2 LEU A 67 0.916 -7.741 -1.925 1.00 0.00 C ATOM 0 H LEU A 67 -0.313 -6.053 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 67 1.937 -7.892 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.075 -6.482 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.334 -6.315 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 67 0.226 -8.860 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.292 -9.909 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.481 -9.391 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.202 -8.428 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.869 -8.596 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.770 -7.117 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.001 -7.158 -1.836 1.00 0.00 H new ATOM 1070 N LYS A 68 0.068 -9.600 -5.436 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.975 -10.609 -5.441 1.00 0.00 C ATOM 1072 C LYS A 68 -0.777 -11.416 -4.198 1.00 0.00 C ATOM 1073 O LYS A 68 0.114 -12.247 -4.156 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.735 -11.519 -6.592 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.964 -12.376 -6.860 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.905 -13.605 -5.948 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.352 -14.822 -6.698 1.00 0.00 C ATOM 1078 NZ LYS A 68 -1.792 -14.790 -8.121 1.00 0.00 N ATOM 0 H LYS A 68 0.965 -9.921 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.967 -10.162 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.491 -10.935 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.123 -12.158 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.873 -11.806 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.993 -12.681 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.277 -13.390 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.902 -13.829 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.263 -14.827 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.698 -15.740 -6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.589 -15.707 -8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.814 -14.602 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.280 -14.038 -8.626 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.550 -11.217 -3.189 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.310 -12.035 -1.999 1.00 0.00 C ATOM 1094 C VAL A 69 -2.012 -13.374 -2.201 1.00 0.00 C ATOM 1095 O VAL A 69 -3.123 -13.436 -2.683 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.820 -11.332 -0.740 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.766 -12.294 0.449 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.937 -10.118 -0.446 1.00 0.00 C ATOM 0 H VAL A 69 -2.315 -10.544 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.240 -12.192 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.850 -11.011 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.130 -11.788 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.392 -13.162 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.737 -12.618 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.298 -9.614 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.091 -10.445 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.974 -9.428 -1.289 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.365 -14.457 -1.888 1.00 0.00 N ATOM 1109 CA PHE A 70 -2.018 -15.767 -2.126 1.00 0.00 C ATOM 1110 C PHE A 70 -1.730 -16.741 -0.986 1.00 0.00 C ATOM 1111 O PHE A 70 -0.599 -17.079 -0.717 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.466 -16.332 -3.432 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.057 -17.695 -3.695 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.258 -18.075 -3.081 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.403 -18.578 -4.559 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.803 -19.339 -3.334 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -1.946 -19.843 -4.811 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.146 -20.222 -4.200 1.00 0.00 C ATOM 0 H PHE A 70 -0.429 -14.493 -1.485 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.098 -15.631 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.701 -15.659 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.380 -16.402 -3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.763 -17.393 -2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.478 -18.284 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.729 -19.633 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.439 -20.526 -5.477 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.566 -21.197 -4.396 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.752 -17.225 -0.337 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.537 -18.209 0.760 1.00 0.00 C ATOM 1130 C LYS A 71 -2.549 -19.603 0.136 1.00 0.00 C ATOM 1131 O LYS A 71 -3.409 -20.416 0.411 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.661 -18.091 1.792 1.00 0.00 C ATOM 1133 CG LYS A 71 -3.315 -16.993 2.799 1.00 0.00 C ATOM 1134 CD LYS A 71 -2.762 -17.631 4.076 1.00 0.00 C ATOM 1135 CE LYS A 71 -3.082 -16.735 5.275 1.00 0.00 C ATOM 1136 NZ LYS A 71 -4.024 -17.442 6.187 1.00 0.00 N ATOM 0 H LYS A 71 -3.726 -16.982 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.589 -18.022 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.603 -17.860 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.798 -19.042 2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.580 -16.311 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.202 -16.402 3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.199 -18.619 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.684 -17.769 3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.165 -16.481 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.523 -15.798 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.241 -16.833 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.902 -17.663 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.587 -18.324 6.521 1.00 0.00 H new ATOM 1150 N SER A 72 -1.606 -19.859 -0.732 1.00 0.00 N ATOM 1151 CA SER A 72 -1.539 -21.172 -1.433 1.00 0.00 C ATOM 1152 C SER A 72 -1.987 -22.311 -0.516 1.00 0.00 C ATOM 1153 O SER A 72 -1.290 -22.713 0.394 1.00 0.00 O ATOM 1154 CB SER A 72 -0.106 -21.428 -1.899 1.00 0.00 C ATOM 1155 OG SER A 72 -0.022 -21.204 -3.300 1.00 0.00 O ATOM 0 H SER A 72 -0.869 -19.202 -0.988 1.00 0.00 H new ATOM 0 HA SER A 72 -2.211 -21.137 -2.291 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.584 -20.769 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.188 -22.451 -1.664 1.00 0.00 H new ATOM 0 HG SER A 72 -0.470 -20.361 -3.524 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.147 -22.842 -0.780 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.674 -23.972 0.028 1.00 0.00 C ATOM 1163 C LEU A 73 -4.596 -24.807 -0.867 1.00 0.00 C ATOM 1164 O LEU A 73 -5.774 -24.928 -0.606 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.452 -23.418 1.222 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.254 -24.540 1.878 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.971 -24.565 3.380 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.741 -24.288 1.646 1.00 0.00 C ATOM 0 H LEU A 73 -3.761 -22.535 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.861 -24.594 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.764 -22.979 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.121 -22.622 0.895 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.968 -25.498 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.545 -25.367 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.908 -24.736 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.259 -23.610 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.322 -25.084 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.021 -23.331 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.944 -24.269 0.575 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.027 -25.339 -1.925 1.00 0.00 N ATOM 1181 CA PRO A 74 -4.772 -26.150 -2.904 1.00 0.00 C ATOM 1182 C PRO A 74 -4.946 -27.590 -2.407 1.00 0.00 C ATOM 1183 O PRO A 74 -4.710 -28.538 -3.129 1.00 0.00 O ATOM 1184 CB PRO A 74 -3.873 -26.117 -4.145 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.442 -25.815 -3.638 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.593 -25.176 -2.246 1.00 0.00 C ATOM 0 HA PRO A 74 -5.778 -25.773 -3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.905 -27.070 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.206 -25.352 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.850 -26.729 -3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.924 -25.140 -4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.961 -25.672 -1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.304 -24.125 -2.257 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.365 -27.763 -1.183 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.559 -29.141 -0.651 1.00 0.00 C ATOM 1196 C GLY A 75 -4.245 -29.659 -0.061 1.00 0.00 C ATOM 1197 O GLY A 75 -4.221 -30.635 0.664 1.00 0.00 O ATOM 0 H GLY A 75 -5.581 -27.010 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.336 -29.139 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.897 -29.804 -1.447 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.150 -29.017 -0.364 1.00 0.00 N ATOM 1202 CA GLN A 76 -1.842 -29.479 0.180 1.00 0.00 C ATOM 1203 C GLN A 76 -1.460 -28.625 1.392 1.00 0.00 C ATOM 1204 O GLN A 76 -0.722 -29.055 2.257 1.00 0.00 O ATOM 1205 CB GLN A 76 -0.762 -29.347 -0.896 1.00 0.00 C ATOM 1206 CG GLN A 76 0.409 -30.273 -0.562 1.00 0.00 C ATOM 1207 CD GLN A 76 0.907 -30.950 -1.842 1.00 0.00 C ATOM 1208 OE1 GLN A 76 1.476 -30.307 -2.700 1.00 0.00 O ATOM 1209 NE2 GLN A 76 0.715 -32.231 -2.004 1.00 0.00 N ATOM 0 H GLN A 76 -3.105 -28.193 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.927 -30.523 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.174 -29.602 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.417 -28.315 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.216 -29.704 -0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.096 -31.026 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.237 -32.770 -1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.043 -32.693 -2.852 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.952 -27.419 1.462 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.610 -26.544 2.621 1.00 0.00 C ATOM 1220 C ASN A 77 -0.093 -26.555 2.836 1.00 0.00 C ATOM 1221 O ASN A 77 0.428 -27.341 3.601 1.00 0.00 O ATOM 1222 CB ASN A 77 -2.304 -27.071 3.879 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.802 -26.299 5.099 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -1.811 -24.994 5.079 1.00 0.00 O flip ATOM 1225 ND2 ASN A 77 -1.398 -26.888 6.083 1.00 0.00 N flip ATOM 0 H ASN A 77 -2.574 -27.002 0.770 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.944 -25.526 2.420 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.384 -26.961 3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.102 -28.135 4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.391 -27.908 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.067 -26.362 6.892 1.00 0.00 H new ATOM 1232 N GLU A 78 0.618 -25.689 2.168 1.00 0.00 N ATOM 1233 CA GLU A 78 2.098 -25.651 2.337 1.00 0.00 C ATOM 1234 C GLU A 78 2.587 -24.206 2.213 1.00 0.00 C ATOM 1235 O GLU A 78 2.990 -23.769 1.154 1.00 0.00 O ATOM 1236 CB GLU A 78 2.758 -26.506 1.254 1.00 0.00 C ATOM 1237 CG GLU A 78 3.289 -27.801 1.874 1.00 0.00 C ATOM 1238 CD GLU A 78 4.654 -27.543 2.513 1.00 0.00 C ATOM 1239 OE1 GLU A 78 4.682 -27.135 3.663 1.00 0.00 O ATOM 1240 OE2 GLU A 78 5.651 -27.757 1.842 1.00 0.00 O ATOM 0 H GLU A 78 0.238 -25.006 1.512 1.00 0.00 H new ATOM 0 HA GLU A 78 2.362 -26.043 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.038 -26.736 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.573 -25.954 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.589 -28.170 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.374 -28.573 1.110 1.00 0.00 H new ATOM 1247 N ASP A 79 2.552 -23.462 3.284 1.00 0.00 N ATOM 1248 CA ASP A 79 3.012 -22.047 3.222 1.00 0.00 C ATOM 1249 C ASP A 79 2.114 -21.268 2.259 1.00 0.00 C ATOM 1250 O ASP A 79 1.244 -21.826 1.620 1.00 0.00 O ATOM 1251 CB ASP A 79 4.457 -22.002 2.721 1.00 0.00 C ATOM 1252 CG ASP A 79 5.206 -20.863 3.416 1.00 0.00 C ATOM 1253 OD1 ASP A 79 4.566 -20.112 4.132 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.406 -20.763 3.220 1.00 0.00 O ATOM 0 H ASP A 79 2.225 -23.773 4.199 1.00 0.00 H new ATOM 0 HA ASP A 79 2.959 -21.600 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.952 -22.952 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.474 -21.856 1.641 1.00 0.00 H new ATOM 1259 N LEU A 80 2.317 -19.983 2.145 1.00 0.00 N ATOM 1260 CA LEU A 80 1.471 -19.184 1.219 1.00 0.00 C ATOM 1261 C LEU A 80 2.214 -18.933 -0.082 1.00 0.00 C ATOM 1262 O LEU A 80 2.951 -19.770 -0.563 1.00 0.00 O ATOM 1263 CB LEU A 80 1.081 -17.861 1.876 1.00 0.00 C ATOM 1264 CG LEU A 80 2.287 -16.934 1.940 1.00 0.00 C ATOM 1265 CD1 LEU A 80 1.841 -15.498 1.657 1.00 0.00 C ATOM 1266 CD2 LEU A 80 2.894 -17.029 3.334 1.00 0.00 C ATOM 0 H LEU A 80 3.029 -19.456 2.651 1.00 0.00 H new ATOM 0 HA LEU A 80 0.562 -19.743 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.278 -17.388 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.699 -18.043 2.880 1.00 0.00 H new ATOM 0 HG LEU A 80 3.029 -17.223 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.704 -14.833 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.394 -15.445 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.107 -15.191 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.760 -16.371 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.153 -16.728 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.203 -18.056 3.527 1.00 0.00 H new ATOM 1278 N VAL A 81 1.997 -17.800 -0.672 1.00 0.00 N ATOM 1279 CA VAL A 81 2.650 -17.500 -1.967 1.00 0.00 C ATOM 1280 C VAL A 81 2.215 -16.108 -2.432 1.00 0.00 C ATOM 1281 O VAL A 81 1.205 -15.591 -2.004 1.00 0.00 O ATOM 1282 CB VAL A 81 2.204 -18.587 -2.958 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.898 -17.993 -4.339 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.315 -19.630 -3.099 1.00 0.00 C ATOM 0 H VAL A 81 1.391 -17.063 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 81 3.737 -17.500 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 81 1.295 -19.047 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.586 -18.788 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.099 -17.257 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.792 -17.511 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.002 -20.403 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.221 -19.149 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.515 -20.082 -2.128 1.00 0.00 H new ATOM 1294 N LEU A 82 2.959 -15.507 -3.315 1.00 0.00 N ATOM 1295 CA LEU A 82 2.577 -14.171 -3.813 1.00 0.00 C ATOM 1296 C LEU A 82 2.945 -14.065 -5.275 1.00 0.00 C ATOM 1297 O LEU A 82 3.876 -13.377 -5.647 1.00 0.00 O ATOM 1298 CB LEU A 82 3.300 -13.074 -3.044 1.00 0.00 C ATOM 1299 CG LEU A 82 2.323 -12.454 -2.063 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.156 -13.371 -0.850 1.00 0.00 C ATOM 1301 CD2 LEU A 82 2.845 -11.091 -1.605 1.00 0.00 C ATOM 0 H LEU A 82 3.817 -15.890 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 82 1.503 -14.045 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.160 -13.485 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.680 -12.317 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 82 1.358 -12.325 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.453 -12.922 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.775 -14.339 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.121 -13.507 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.140 -10.649 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.813 -11.216 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.955 -10.435 -2.468 1.00 0.00 H new ATOM 1313 N THR A 83 2.208 -14.716 -6.116 1.00 0.00 N ATOM 1314 CA THR A 83 2.502 -14.622 -7.561 1.00 0.00 C ATOM 1315 C THR A 83 2.576 -13.142 -7.950 1.00 0.00 C ATOM 1316 O THR A 83 3.041 -12.800 -9.019 1.00 0.00 O ATOM 1317 CB THR A 83 1.400 -15.306 -8.359 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.799 -16.322 -7.568 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.990 -15.925 -9.625 1.00 0.00 C ATOM 0 H THR A 83 1.416 -15.308 -5.867 1.00 0.00 H new ATOM 0 HA THR A 83 3.450 -15.114 -7.778 1.00 0.00 H new ATOM 0 HB THR A 83 0.646 -14.569 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.204 -16.863 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.199 -16.414 -10.194 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.445 -15.144 -10.234 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.747 -16.660 -9.352 1.00 0.00 H new ATOM 1327 N GLY A 84 2.128 -12.249 -7.093 1.00 0.00 N ATOM 1328 CA GLY A 84 2.195 -10.808 -7.445 1.00 0.00 C ATOM 1329 C GLY A 84 3.157 -10.104 -6.498 1.00 0.00 C ATOM 1330 O GLY A 84 3.285 -10.469 -5.351 1.00 0.00 O ATOM 0 H GLY A 84 1.726 -12.461 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.528 -10.689 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.204 -10.358 -7.376 1.00 0.00 H new ATOM 1334 N TYR A 85 3.828 -9.097 -6.981 1.00 0.00 N ATOM 1335 CA TYR A 85 4.796 -8.331 -6.141 1.00 0.00 C ATOM 1336 C TYR A 85 5.694 -7.534 -7.078 1.00 0.00 C ATOM 1337 O TYR A 85 6.367 -8.096 -7.919 1.00 0.00 O ATOM 1338 CB TYR A 85 5.677 -9.276 -5.313 1.00 0.00 C ATOM 1339 CG TYR A 85 6.479 -10.163 -6.237 1.00 0.00 C ATOM 1340 CD1 TYR A 85 5.924 -11.349 -6.729 1.00 0.00 C ATOM 1341 CD2 TYR A 85 7.781 -9.796 -6.602 1.00 0.00 C ATOM 1342 CE1 TYR A 85 6.671 -12.169 -7.585 1.00 0.00 C ATOM 1343 CE2 TYR A 85 8.527 -10.615 -7.458 1.00 0.00 C ATOM 1344 CZ TYR A 85 7.971 -11.802 -7.950 1.00 0.00 C ATOM 1345 OH TYR A 85 8.706 -12.610 -8.793 1.00 0.00 O ATOM 0 H TYR A 85 3.746 -8.764 -7.942 1.00 0.00 H new ATOM 0 HA TYR A 85 4.245 -7.684 -5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.346 -8.699 -4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.056 -9.885 -4.656 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.920 -11.632 -6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.210 -8.880 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.243 -13.085 -7.964 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.531 -10.331 -7.739 1.00 0.00 H new ATOM 0 HH TYR A 85 9.587 -12.208 -8.946 1.00 0.00 H new ATOM 1355 N GLN A 86 5.723 -6.236 -6.966 1.00 0.00 N ATOM 1356 CA GLN A 86 6.602 -5.475 -7.898 1.00 0.00 C ATOM 1357 C GLN A 86 6.530 -3.966 -7.652 1.00 0.00 C ATOM 1358 O GLN A 86 5.563 -3.442 -7.132 1.00 0.00 O ATOM 1359 CB GLN A 86 6.166 -5.758 -9.336 1.00 0.00 C ATOM 1360 CG GLN A 86 7.259 -6.551 -10.055 1.00 0.00 C ATOM 1361 CD GLN A 86 8.349 -5.593 -10.538 1.00 0.00 C ATOM 1362 OE1 GLN A 86 8.006 -4.494 -11.153 1.00 0.00 O flip ATOM 1363 NE2 GLN A 86 9.522 -5.846 -10.355 1.00 0.00 N flip ATOM 0 H GLN A 86 5.194 -5.682 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 86 7.629 -5.798 -7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.232 -6.320 -9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.977 -4.822 -9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.686 -7.295 -9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.834 -7.092 -10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.789 -6.705 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.240 -5.200 -10.682 1.00 0.00 H new ATOM 1372 N VAL A 87 7.555 -3.272 -8.074 1.00 0.00 N ATOM 1373 CA VAL A 87 7.604 -1.794 -7.939 1.00 0.00 C ATOM 1374 C VAL A 87 6.979 -1.212 -9.202 1.00 0.00 C ATOM 1375 O VAL A 87 6.434 -1.935 -10.013 1.00 0.00 O ATOM 1376 CB VAL A 87 9.076 -1.363 -7.834 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.764 -1.568 -9.184 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.199 0.109 -7.426 1.00 0.00 C ATOM 0 H VAL A 87 8.377 -3.682 -8.516 1.00 0.00 H new ATOM 0 HA VAL A 87 7.069 -1.448 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 87 9.554 -1.974 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.808 -1.263 -9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.713 -2.621 -9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.263 -0.967 -9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.252 0.382 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.707 0.735 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.725 0.259 -6.456 1.00 0.00 H new ATOM 1388 N ASP A 88 7.050 0.066 -9.401 1.00 0.00 N ATOM 1389 CA ASP A 88 6.458 0.628 -10.635 1.00 0.00 C ATOM 1390 C ASP A 88 7.196 1.887 -11.072 1.00 0.00 C ATOM 1391 O ASP A 88 7.952 1.872 -12.024 1.00 0.00 O ATOM 1392 CB ASP A 88 4.990 0.966 -10.416 1.00 0.00 C ATOM 1393 CG ASP A 88 4.403 1.471 -11.738 1.00 0.00 C ATOM 1394 OD1 ASP A 88 4.527 2.655 -12.003 1.00 0.00 O ATOM 1395 OD2 ASP A 88 3.848 0.666 -12.464 1.00 0.00 O ATOM 0 H ASP A 88 7.487 0.739 -8.772 1.00 0.00 H new ATOM 0 HA ASP A 88 6.548 -0.127 -11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.446 0.086 -10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.888 1.726 -9.642 1.00 0.00 H new ATOM 1400 N LYS A 89 6.946 2.983 -10.406 1.00 0.00 N ATOM 1401 CA LYS A 89 7.589 4.274 -10.784 1.00 0.00 C ATOM 1402 C LYS A 89 6.743 4.930 -11.879 1.00 0.00 C ATOM 1403 O LYS A 89 6.455 6.109 -11.832 1.00 0.00 O ATOM 1404 CB LYS A 89 9.012 4.029 -11.298 1.00 0.00 C ATOM 1405 CG LYS A 89 9.810 5.332 -11.240 1.00 0.00 C ATOM 1406 CD LYS A 89 10.901 5.312 -12.312 1.00 0.00 C ATOM 1407 CE LYS A 89 12.203 5.862 -11.727 1.00 0.00 C ATOM 1408 NZ LYS A 89 13.073 4.731 -11.299 1.00 0.00 N ATOM 0 H LYS A 89 6.315 3.038 -9.606 1.00 0.00 H new ATOM 0 HA LYS A 89 7.649 4.927 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.501 3.264 -10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.980 3.655 -12.321 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.148 6.183 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.257 5.453 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.053 4.294 -12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.594 5.911 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.719 6.471 -12.469 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.987 6.510 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.958 5.105 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.580 4.168 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.289 4.130 -12.119 1.00 0.00 H new ATOM 1422 N ASN A 90 6.328 4.158 -12.854 1.00 0.00 N ATOM 1423 CA ASN A 90 5.482 4.704 -13.956 1.00 0.00 C ATOM 1424 C ASN A 90 5.613 3.796 -15.180 1.00 0.00 C ATOM 1425 O ASN A 90 5.738 4.255 -16.297 1.00 0.00 O ATOM 1426 CB ASN A 90 5.939 6.118 -14.324 1.00 0.00 C ATOM 1427 CG ASN A 90 7.468 6.189 -14.299 1.00 0.00 C ATOM 1428 OD1 ASN A 90 8.037 6.989 -13.584 1.00 0.00 O ATOM 1429 ND2 ASN A 90 8.162 5.385 -15.058 1.00 0.00 N ATOM 0 H ASN A 90 6.543 3.164 -12.932 1.00 0.00 H new ATOM 0 HA ASN A 90 4.444 4.743 -13.626 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.569 6.384 -15.314 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.520 6.840 -13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.181 5.429 -15.050 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.685 4.713 -15.659 1.00 0.00 H new ATOM 1436 N LYS A 91 5.583 2.506 -14.978 1.00 0.00 N ATOM 1437 CA LYS A 91 5.706 1.569 -16.132 1.00 0.00 C ATOM 1438 C LYS A 91 4.441 0.725 -16.226 1.00 0.00 C ATOM 1439 O LYS A 91 3.801 0.659 -17.257 1.00 0.00 O ATOM 1440 CB LYS A 91 6.921 0.661 -15.932 1.00 0.00 C ATOM 1441 CG LYS A 91 8.203 1.466 -16.148 1.00 0.00 C ATOM 1442 CD LYS A 91 8.965 1.587 -14.826 1.00 0.00 C ATOM 1443 CE LYS A 91 10.329 0.906 -14.957 1.00 0.00 C ATOM 1444 NZ LYS A 91 11.223 1.746 -15.804 1.00 0.00 N ATOM 0 H LYS A 91 5.479 2.061 -14.066 1.00 0.00 H new ATOM 0 HA LYS A 91 5.836 2.137 -17.053 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.910 0.238 -14.928 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.882 -0.175 -16.631 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.828 0.979 -16.896 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.961 2.457 -16.532 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.095 2.637 -14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.393 1.126 -14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.772 0.763 -13.972 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.213 -0.083 -15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.156 1.293 -15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.809 1.847 -16.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.329 2.686 -15.371 1.00 0.00 H new ATOM 1458 N ASP A 92 4.061 0.093 -15.153 1.00 0.00 N ATOM 1459 CA ASP A 92 2.822 -0.728 -15.176 1.00 0.00 C ATOM 1460 C ASP A 92 1.608 0.196 -15.046 1.00 0.00 C ATOM 1461 O ASP A 92 0.490 -0.254 -14.892 1.00 0.00 O ATOM 1462 CB ASP A 92 2.838 -1.718 -14.009 1.00 0.00 C ATOM 1463 CG ASP A 92 2.130 -3.008 -14.428 1.00 0.00 C ATOM 1464 OD1 ASP A 92 0.924 -3.079 -14.262 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.807 -3.902 -14.912 1.00 0.00 O ATOM 0 H ASP A 92 4.555 0.110 -14.261 1.00 0.00 H new ATOM 0 HA ASP A 92 2.766 -1.281 -16.114 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.865 -1.933 -13.714 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.342 -1.283 -13.142 1.00 0.00 H new ATOM 1470 N ASP A 93 1.817 1.487 -15.107 1.00 0.00 N ATOM 1471 CA ASP A 93 0.672 2.430 -14.990 1.00 0.00 C ATOM 1472 C ASP A 93 -0.445 1.989 -15.935 1.00 0.00 C ATOM 1473 O ASP A 93 -0.458 2.334 -17.099 1.00 0.00 O ATOM 1474 CB ASP A 93 1.132 3.839 -15.368 1.00 0.00 C ATOM 1475 CG ASP A 93 -0.010 4.830 -15.132 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.453 4.933 -14.001 1.00 0.00 O ATOM 1477 OD2 ASP A 93 -0.421 5.469 -16.087 1.00 0.00 O ATOM 0 H ASP A 93 2.730 1.924 -15.233 1.00 0.00 H new ATOM 0 HA ASP A 93 0.303 2.431 -13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.001 4.121 -14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.439 3.864 -16.413 1.00 0.00 H new