USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=27 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 31 THR OG1 : rot 139:sc= -2.78! USER MOD Set 1.2: A 62 ASN :FLIP amide:sc= -1.09 F(o=-7.8!,f=-4.3) USER MOD Set 1.3: A 63 LYS NZ :NH3+ -140:sc= -0.456 (180deg=-1.37!) USER MOD Set 2.1: A 53 TYR OH : rot 170:sc= -3.09! USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 52 ASN : amide:sc= -2.94! C(o=-6.1!,f=-15!) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -165:sc= -1.39! (180deg=-2.79!) USER MOD Set 3.3: A 83 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 7 SER OG : rot 34:sc= 0.015 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -79:sc= -2.95! USER MOD Single : A 17 GLN :FLIP amide:sc= -8.02! C(o=-9.9!,f=-8!) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0716) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.255 (180deg=-0.597) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.361) USER MOD Single : A 32 ASN : amide:sc= -4.72! C(o=-4.7!,f=-5.5!) USER MOD Single : A 34 THR OG1 : rot -46:sc= 0.948 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -7.64! C(o=-8.9!,f=-7.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.733 USER MOD Single : A 44 LYS NZ :NH3+ -129:sc= -0.365 (180deg=-3.01!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc=-0.00127 F(o=-0.95,f=-0.0013) USER MOD Single : A 51 THR OG1 : rot 101:sc= 0.362 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 130:sc= -1.64! USER MOD Single : A 66 HIS : no HD1:sc= -11.6! C(o=-12!,f=-18!) USER MOD Single : A 72 SER OG : rot 26:sc= 0.00818! USER MOD Single : A 76 GLN : amide:sc= -2.01! C(o=-2!,f=-3.9!) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.08 F(o=-2.4!,f=-1.1) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.631 X(o=-0.63,f=-0.45) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.538 F(o=-2.2,f=-0.54) USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= -0.0548 (180deg=-0.304) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -15.089 -5.082 -9.134 1.00 0.00 N ATOM 87 CA SER A 7 -16.083 -6.052 -8.592 1.00 0.00 C ATOM 88 C SER A 7 -15.684 -6.472 -7.171 1.00 0.00 C ATOM 89 O SER A 7 -16.105 -5.874 -6.200 1.00 0.00 O ATOM 90 CB SER A 7 -16.130 -7.286 -9.490 1.00 0.00 C ATOM 91 OG SER A 7 -16.714 -6.936 -10.737 1.00 0.00 O ATOM 0 HA SER A 7 -17.065 -5.579 -8.564 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.124 -7.677 -9.643 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.710 -8.076 -9.012 1.00 0.00 H new ATOM 0 HG SER A 7 -16.462 -6.018 -10.970 1.00 0.00 H new ATOM 97 N GLU A 8 -14.888 -7.505 -7.038 1.00 0.00 N ATOM 98 CA GLU A 8 -14.487 -7.961 -5.679 1.00 0.00 C ATOM 99 C GLU A 8 -13.172 -7.316 -5.260 1.00 0.00 C ATOM 100 O GLU A 8 -12.117 -7.891 -5.423 1.00 0.00 O ATOM 101 CB GLU A 8 -14.333 -9.486 -5.655 1.00 0.00 C ATOM 102 CG GLU A 8 -15.380 -10.124 -6.573 1.00 0.00 C ATOM 103 CD GLU A 8 -16.775 -9.919 -5.977 1.00 0.00 C ATOM 104 OE1 GLU A 8 -17.046 -8.823 -5.517 1.00 0.00 O ATOM 105 OE2 GLU A 8 -17.547 -10.864 -5.994 1.00 0.00 O ATOM 0 H GLU A 8 -14.502 -8.047 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.268 -7.663 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.331 -9.765 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.453 -9.857 -4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.328 -9.678 -7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.176 -11.188 -6.690 1.00 0.00 H new ATOM 112 N ALA A 9 -13.229 -6.136 -4.704 1.00 0.00 N ATOM 113 CA ALA A 9 -11.979 -5.462 -4.255 1.00 0.00 C ATOM 114 C ALA A 9 -12.311 -4.092 -3.659 1.00 0.00 C ATOM 115 O ALA A 9 -13.262 -3.447 -4.051 1.00 0.00 O ATOM 116 CB ALA A 9 -11.045 -5.293 -5.446 1.00 0.00 C ATOM 0 H ALA A 9 -14.088 -5.610 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.492 -6.070 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.128 -4.800 -5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.804 -6.272 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.534 -4.686 -6.208 1.00 0.00 H new ATOM 122 N LYS A 10 -11.532 -3.645 -2.711 1.00 0.00 N ATOM 123 CA LYS A 10 -11.803 -2.315 -2.088 1.00 0.00 C ATOM 124 C LYS A 10 -10.659 -1.350 -2.420 1.00 0.00 C ATOM 125 O LYS A 10 -9.612 -1.766 -2.874 1.00 0.00 O ATOM 126 CB LYS A 10 -11.913 -2.475 -0.570 1.00 0.00 C ATOM 127 CG LYS A 10 -13.336 -2.133 -0.126 1.00 0.00 C ATOM 128 CD LYS A 10 -14.215 -3.381 -0.218 1.00 0.00 C ATOM 129 CE LYS A 10 -15.598 -2.993 -0.743 1.00 0.00 C ATOM 130 NZ LYS A 10 -16.647 -3.607 0.121 1.00 0.00 N ATOM 0 H LYS A 10 -10.721 -4.141 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.738 -1.915 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.666 -3.497 -0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.197 -1.821 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.328 -1.756 0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.744 -1.341 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.755 -4.114 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.305 -3.849 0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.705 -1.908 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.716 -3.331 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.588 -3.344 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.548 -4.642 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.538 -3.264 1.097 1.00 0.00 H new ATOM 144 N PRO A 11 -10.902 -0.084 -2.186 1.00 0.00 N ATOM 145 CA PRO A 11 -9.915 0.977 -2.456 1.00 0.00 C ATOM 146 C PRO A 11 -8.850 1.024 -1.354 1.00 0.00 C ATOM 147 O PRO A 11 -9.115 1.410 -0.233 1.00 0.00 O ATOM 148 CB PRO A 11 -10.752 2.255 -2.465 1.00 0.00 C ATOM 149 CG PRO A 11 -12.032 1.943 -1.652 1.00 0.00 C ATOM 150 CD PRO A 11 -12.180 0.410 -1.635 1.00 0.00 C ATOM 0 HA PRO A 11 -9.371 0.824 -3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.201 3.083 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.001 2.549 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.952 2.336 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.904 2.411 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.348 0.037 -0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.027 0.085 -2.240 1.00 0.00 H new ATOM 158 N ALA A 12 -7.647 0.639 -1.690 1.00 0.00 N ATOM 159 CA ALA A 12 -6.514 0.646 -0.715 1.00 0.00 C ATOM 160 C ALA A 12 -7.004 0.429 0.723 1.00 0.00 C ATOM 161 O ALA A 12 -7.030 1.349 1.516 1.00 0.00 O ATOM 162 CB ALA A 12 -5.791 1.984 -0.784 1.00 0.00 C ATOM 0 H ALA A 12 -7.396 0.312 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.843 -0.170 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.965 1.988 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.403 2.137 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.486 2.786 -0.537 1.00 0.00 H new ATOM 168 N THR A 13 -7.372 -0.772 1.079 1.00 0.00 N ATOM 169 CA THR A 13 -7.831 -1.018 2.481 1.00 0.00 C ATOM 170 C THR A 13 -6.864 -0.328 3.443 1.00 0.00 C ATOM 171 O THR A 13 -5.789 0.073 3.046 1.00 0.00 O ATOM 172 CB THR A 13 -7.838 -2.522 2.763 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.385 -3.226 1.615 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.257 -2.970 3.115 1.00 0.00 C ATOM 0 H THR A 13 -7.376 -1.588 0.468 1.00 0.00 H new ATOM 0 HA THR A 13 -8.838 -0.623 2.614 1.00 0.00 H new ATOM 0 HB THR A 13 -7.174 -2.736 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.111 -3.283 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.261 -4.041 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.599 -2.434 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.924 -2.755 2.280 1.00 0.00 H new ATOM 182 N PRO A 14 -7.253 -0.236 4.686 1.00 0.00 N ATOM 183 CA PRO A 14 -6.407 0.369 5.722 1.00 0.00 C ATOM 184 C PRO A 14 -5.316 -0.643 6.075 1.00 0.00 C ATOM 185 O PRO A 14 -4.368 -0.356 6.779 1.00 0.00 O ATOM 186 CB PRO A 14 -7.370 0.605 6.888 1.00 0.00 C ATOM 187 CG PRO A 14 -8.554 -0.367 6.674 1.00 0.00 C ATOM 188 CD PRO A 14 -8.552 -0.738 5.177 1.00 0.00 C ATOM 0 HA PRO A 14 -5.911 1.296 5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.879 0.416 7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.714 1.639 6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.442 -1.256 7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.497 0.102 6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.644 -1.814 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.385 -0.273 4.649 1.00 0.00 H new ATOM 196 N GLU A 15 -5.466 -1.831 5.554 1.00 0.00 N ATOM 197 CA GLU A 15 -4.492 -2.921 5.783 1.00 0.00 C ATOM 198 C GLU A 15 -3.575 -3.003 4.569 1.00 0.00 C ATOM 199 O GLU A 15 -2.367 -2.918 4.667 1.00 0.00 O ATOM 200 CB GLU A 15 -5.278 -4.222 5.895 1.00 0.00 C ATOM 201 CG GLU A 15 -4.330 -5.418 5.769 1.00 0.00 C ATOM 202 CD GLU A 15 -4.631 -6.429 6.878 1.00 0.00 C ATOM 203 OE1 GLU A 15 -4.214 -6.189 7.999 1.00 0.00 O ATOM 204 OE2 GLU A 15 -5.271 -7.425 6.588 1.00 0.00 O ATOM 0 H GLU A 15 -6.253 -2.093 4.960 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.905 -2.746 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.800 -4.260 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.038 -4.266 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.448 -5.888 4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.295 -5.084 5.839 1.00 0.00 H new ATOM 211 N ILE A 16 -4.164 -3.177 3.420 1.00 0.00 N ATOM 212 CA ILE A 16 -3.370 -3.269 2.163 1.00 0.00 C ATOM 213 C ILE A 16 -2.493 -2.030 2.018 1.00 0.00 C ATOM 214 O ILE A 16 -1.327 -2.120 1.704 1.00 0.00 O ATOM 215 CB ILE A 16 -4.313 -3.354 0.964 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.171 -4.618 1.082 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.487 -3.424 -0.318 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.301 -5.853 0.822 1.00 0.00 C ATOM 0 H ILE A 16 -5.173 -3.260 3.296 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.744 -4.160 2.202 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.958 -2.476 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.617 -4.676 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.992 -4.581 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.154 -3.485 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.868 -2.531 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.848 -4.307 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.911 -6.752 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.877 -5.795 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.495 -5.892 1.555 1.00 0.00 H new ATOM 230 N GLN A 17 -3.042 -0.871 2.239 1.00 0.00 N ATOM 231 CA GLN A 17 -2.224 0.360 2.106 1.00 0.00 C ATOM 232 C GLN A 17 -1.067 0.301 3.103 1.00 0.00 C ATOM 233 O GLN A 17 -0.020 0.879 2.887 1.00 0.00 O ATOM 234 CB GLN A 17 -3.093 1.585 2.373 1.00 0.00 C ATOM 235 CG GLN A 17 -3.469 1.652 3.853 1.00 0.00 C ATOM 236 CD GLN A 17 -4.438 2.818 4.082 1.00 0.00 C ATOM 237 OE1 GLN A 17 -4.872 3.513 3.059 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -4.807 3.100 5.204 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.016 -0.724 2.504 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.823 0.432 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.558 2.490 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.995 1.540 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.931 0.715 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.574 1.784 4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.471 2.561 6.002 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.453 3.876 5.348 1.00 0.00 H new ATOM 247 N GLU A 18 -1.237 -0.408 4.186 1.00 0.00 N ATOM 248 CA GLU A 18 -0.130 -0.516 5.174 1.00 0.00 C ATOM 249 C GLU A 18 1.029 -1.263 4.515 1.00 0.00 C ATOM 250 O GLU A 18 2.185 -0.997 4.780 1.00 0.00 O ATOM 251 CB GLU A 18 -0.610 -1.283 6.409 1.00 0.00 C ATOM 252 CG GLU A 18 0.111 -0.756 7.651 1.00 0.00 C ATOM 253 CD GLU A 18 0.033 -1.798 8.766 1.00 0.00 C ATOM 254 OE1 GLU A 18 0.230 -2.965 8.471 1.00 0.00 O ATOM 255 OE2 GLU A 18 -0.226 -1.414 9.894 1.00 0.00 O ATOM 0 H GLU A 18 -2.089 -0.914 4.427 1.00 0.00 H new ATOM 0 HA GLU A 18 0.194 0.477 5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.688 -1.168 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.415 -2.348 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.152 -0.538 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.344 0.178 7.980 1.00 0.00 H new ATOM 262 N ILE A 19 0.726 -2.183 3.636 1.00 0.00 N ATOM 263 CA ILE A 19 1.806 -2.929 2.931 1.00 0.00 C ATOM 264 C ILE A 19 2.563 -1.935 2.055 1.00 0.00 C ATOM 265 O ILE A 19 3.767 -1.999 1.901 1.00 0.00 O ATOM 266 CB ILE A 19 1.181 -4.036 2.057 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.177 -5.189 1.920 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.841 -3.503 0.656 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.520 -4.645 1.425 1.00 0.00 C ATOM 0 H ILE A 19 -0.224 -2.449 3.377 1.00 0.00 H new ATOM 0 HA ILE A 19 2.485 -3.394 3.646 1.00 0.00 H new ATOM 0 HB ILE A 19 0.263 -4.378 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.306 -5.689 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.794 -5.934 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.402 -4.302 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.130 -2.682 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.750 -3.146 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.231 -5.465 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.383 -4.165 0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.903 -3.916 2.140 1.00 0.00 H new ATOM 281 N VAL A 20 1.844 -1.012 1.486 1.00 0.00 N ATOM 282 CA VAL A 20 2.471 0.014 0.619 1.00 0.00 C ATOM 283 C VAL A 20 3.431 0.843 1.471 1.00 0.00 C ATOM 284 O VAL A 20 4.302 1.511 0.967 1.00 0.00 O ATOM 285 CB VAL A 20 1.360 0.891 0.028 1.00 0.00 C ATOM 286 CG1 VAL A 20 1.897 2.275 -0.365 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.788 0.202 -1.211 1.00 0.00 C ATOM 0 H VAL A 20 0.833 -0.926 1.588 1.00 0.00 H new ATOM 0 HA VAL A 20 3.031 -0.441 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 20 0.585 1.025 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.087 2.875 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.301 2.772 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.684 2.162 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.003 0.819 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.579 0.064 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.380 -0.769 -0.931 1.00 0.00 H new ATOM 297 N ASP A 21 3.281 0.786 2.765 1.00 0.00 N ATOM 298 CA ASP A 21 4.193 1.550 3.665 1.00 0.00 C ATOM 299 C ASP A 21 5.237 0.599 4.257 1.00 0.00 C ATOM 300 O ASP A 21 6.231 1.021 4.813 1.00 0.00 O ATOM 301 CB ASP A 21 3.379 2.182 4.795 1.00 0.00 C ATOM 302 CG ASP A 21 3.703 3.673 4.886 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.677 4.086 4.276 1.00 0.00 O ATOM 304 OD2 ASP A 21 2.975 4.378 5.564 1.00 0.00 O ATOM 0 H ASP A 21 2.563 0.241 3.241 1.00 0.00 H new ATOM 0 HA ASP A 21 4.695 2.333 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.314 2.041 4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.608 1.691 5.741 1.00 0.00 H new ATOM 309 N LYS A 22 5.015 -0.686 4.149 1.00 0.00 N ATOM 310 CA LYS A 22 5.990 -1.665 4.716 1.00 0.00 C ATOM 311 C LYS A 22 7.063 -1.989 3.674 1.00 0.00 C ATOM 312 O LYS A 22 8.194 -1.561 3.784 1.00 0.00 O ATOM 313 CB LYS A 22 5.252 -2.949 5.104 1.00 0.00 C ATOM 314 CG LYS A 22 5.619 -3.336 6.538 1.00 0.00 C ATOM 315 CD LYS A 22 4.346 -3.443 7.383 1.00 0.00 C ATOM 316 CE LYS A 22 4.365 -4.752 8.176 1.00 0.00 C ATOM 317 NZ LYS A 22 5.482 -4.720 9.163 1.00 0.00 N ATOM 0 H LYS A 22 4.201 -1.099 3.693 1.00 0.00 H new ATOM 0 HA LYS A 22 6.464 -1.234 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.175 -2.801 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.518 -3.755 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.152 -4.287 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.290 -2.591 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.277 -2.595 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.467 -3.408 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.415 -4.891 8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.488 -5.598 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.385 -5.518 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.390 -4.794 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.451 -3.826 9.693 1.00 0.00 H new ATOM 331 N VAL A 23 6.720 -2.744 2.664 1.00 0.00 N ATOM 332 CA VAL A 23 7.717 -3.095 1.617 1.00 0.00 C ATOM 333 C VAL A 23 7.820 -1.950 0.611 1.00 0.00 C ATOM 334 O VAL A 23 8.632 -1.975 -0.293 1.00 0.00 O ATOM 335 CB VAL A 23 7.252 -4.355 0.897 1.00 0.00 C ATOM 336 CG1 VAL A 23 8.365 -4.858 -0.015 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.913 -5.425 1.929 1.00 0.00 C ATOM 0 H VAL A 23 5.788 -3.133 2.521 1.00 0.00 H new ATOM 0 HA VAL A 23 8.691 -3.265 2.075 1.00 0.00 H new ATOM 0 HB VAL A 23 6.369 -4.132 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.034 -5.759 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.610 -4.090 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.249 -5.085 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.580 -6.329 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.798 -5.649 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.119 -5.062 2.582 1.00 0.00 H new ATOM 347 N LYS A 24 7.001 -0.949 0.759 1.00 0.00 N ATOM 348 CA LYS A 24 7.045 0.194 -0.186 1.00 0.00 C ATOM 349 C LYS A 24 7.073 1.511 0.602 1.00 0.00 C ATOM 350 O LYS A 24 6.277 2.391 0.356 1.00 0.00 O ATOM 351 CB LYS A 24 5.794 0.153 -1.066 1.00 0.00 C ATOM 352 CG LYS A 24 5.859 -1.065 -1.992 1.00 0.00 C ATOM 353 CD LYS A 24 5.312 -2.297 -1.265 1.00 0.00 C ATOM 354 CE LYS A 24 3.805 -2.412 -1.507 1.00 0.00 C ATOM 355 NZ LYS A 24 3.492 -3.758 -2.067 1.00 0.00 N ATOM 0 H LYS A 24 6.301 -0.875 1.497 1.00 0.00 H new ATOM 0 HA LYS A 24 7.939 0.128 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.901 0.102 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.721 1.067 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.280 -0.878 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.888 -1.242 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.817 -3.195 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.514 -2.220 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.263 -2.260 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.476 -1.634 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.478 -3.956 -1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.733 -3.778 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.046 -4.480 -1.565 1.00 0.00 H new ATOM 369 N PRO A 25 7.996 1.611 1.527 1.00 0.00 N ATOM 370 CA PRO A 25 8.135 2.813 2.369 1.00 0.00 C ATOM 371 C PRO A 25 8.735 3.967 1.570 1.00 0.00 C ATOM 372 O PRO A 25 8.983 5.035 2.094 1.00 0.00 O ATOM 373 CB PRO A 25 9.072 2.364 3.492 1.00 0.00 C ATOM 374 CG PRO A 25 9.852 1.148 2.942 1.00 0.00 C ATOM 375 CD PRO A 25 8.992 0.557 1.809 1.00 0.00 C ATOM 0 HA PRO A 25 7.181 3.182 2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.752 3.167 3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.508 2.093 4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.831 1.450 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.023 0.410 3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.593 0.331 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.513 -0.373 2.115 1.00 0.00 H new ATOM 383 N GLN A 26 8.939 3.775 0.301 1.00 0.00 N ATOM 384 CA GLN A 26 9.478 4.867 -0.534 1.00 0.00 C ATOM 385 C GLN A 26 8.463 5.091 -1.627 1.00 0.00 C ATOM 386 O GLN A 26 8.035 6.183 -1.877 1.00 0.00 O ATOM 387 CB GLN A 26 10.824 4.450 -1.133 1.00 0.00 C ATOM 388 CG GLN A 26 11.568 3.565 -0.132 1.00 0.00 C ATOM 389 CD GLN A 26 13.025 3.404 -0.570 1.00 0.00 C ATOM 390 OE1 GLN A 26 13.305 2.773 -1.569 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.973 3.949 0.142 1.00 0.00 N ATOM 0 H GLN A 26 8.753 2.902 -0.193 1.00 0.00 H new ATOM 0 HA GLN A 26 9.645 5.775 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.668 3.911 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.419 5.332 -1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.524 4.008 0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.087 2.589 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.740 4.479 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.947 3.845 -0.141 1.00 0.00 H new ATOM 400 N LEU A 27 8.036 4.035 -2.235 1.00 0.00 N ATOM 401 CA LEU A 27 7.012 4.135 -3.292 1.00 0.00 C ATOM 402 C LEU A 27 5.728 4.734 -2.700 1.00 0.00 C ATOM 403 O LEU A 27 4.832 5.144 -3.410 1.00 0.00 O ATOM 404 CB LEU A 27 6.742 2.721 -3.796 1.00 0.00 C ATOM 405 CG LEU A 27 8.069 2.029 -4.135 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.922 0.517 -3.972 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.451 2.358 -5.578 1.00 0.00 C ATOM 0 H LEU A 27 8.360 3.087 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 27 7.349 4.774 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.207 2.150 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.103 2.755 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 27 8.848 2.383 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.867 0.031 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.649 0.287 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.144 0.153 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.393 1.869 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.670 2.003 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.562 3.437 -5.688 1.00 0.00 H new ATOM 419 N GLU A 28 5.639 4.768 -1.397 1.00 0.00 N ATOM 420 CA GLU A 28 4.421 5.316 -0.722 1.00 0.00 C ATOM 421 C GLU A 28 4.593 6.800 -0.374 1.00 0.00 C ATOM 422 O GLU A 28 3.632 7.479 -0.070 1.00 0.00 O ATOM 423 CB GLU A 28 4.165 4.529 0.565 1.00 0.00 C ATOM 424 CG GLU A 28 2.932 5.101 1.269 1.00 0.00 C ATOM 425 CD GLU A 28 3.372 6.015 2.412 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.129 6.936 2.152 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.942 5.781 3.530 1.00 0.00 O ATOM 0 H GLU A 28 6.365 4.436 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 28 3.579 5.219 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.011 3.475 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.033 4.589 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.321 5.658 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.313 4.291 1.655 1.00 0.00 H new ATOM 434 N GLU A 29 5.791 7.319 -0.402 1.00 0.00 N ATOM 435 CA GLU A 29 5.977 8.760 -0.058 1.00 0.00 C ATOM 436 C GLU A 29 6.948 9.364 -1.055 1.00 0.00 C ATOM 437 O GLU A 29 7.578 10.374 -0.816 1.00 0.00 O ATOM 438 CB GLU A 29 6.543 8.888 1.359 1.00 0.00 C ATOM 439 CG GLU A 29 7.922 8.226 1.422 1.00 0.00 C ATOM 440 CD GLU A 29 8.648 8.673 2.692 1.00 0.00 C ATOM 441 OE1 GLU A 29 9.103 9.804 2.725 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.737 7.876 3.612 1.00 0.00 O ATOM 0 H GLU A 29 6.643 6.814 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 29 5.021 9.282 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.620 9.939 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.869 8.417 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.816 7.141 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.507 8.496 0.543 1.00 0.00 H new ATOM 449 N LYS A 30 7.067 8.726 -2.174 1.00 0.00 N ATOM 450 CA LYS A 30 7.982 9.196 -3.229 1.00 0.00 C ATOM 451 C LYS A 30 7.175 9.964 -4.253 1.00 0.00 C ATOM 452 O LYS A 30 7.391 11.137 -4.482 1.00 0.00 O ATOM 453 CB LYS A 30 8.593 7.960 -3.859 1.00 0.00 C ATOM 454 CG LYS A 30 10.006 8.266 -4.360 1.00 0.00 C ATOM 455 CD LYS A 30 9.922 8.949 -5.727 1.00 0.00 C ATOM 456 CE LYS A 30 10.014 7.894 -6.831 1.00 0.00 C ATOM 457 NZ LYS A 30 10.323 8.558 -8.128 1.00 0.00 N ATOM 0 H LYS A 30 6.553 7.876 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 30 8.763 9.848 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.625 7.150 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.971 7.620 -4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.524 8.911 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.585 7.345 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.986 9.500 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.729 9.674 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.788 7.166 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.074 7.347 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.074 7.922 -8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.773 9.437 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.338 8.780 -8.171 1.00 0.00 H new ATOM 471 N THR A 31 6.222 9.312 -4.847 1.00 0.00 N ATOM 472 CA THR A 31 5.359 9.998 -5.832 1.00 0.00 C ATOM 473 C THR A 31 4.973 11.352 -5.240 1.00 0.00 C ATOM 474 O THR A 31 4.779 12.325 -5.942 1.00 0.00 O ATOM 475 CB THR A 31 4.119 9.135 -6.063 1.00 0.00 C ATOM 476 OG1 THR A 31 3.529 9.474 -7.309 1.00 0.00 O ATOM 477 CG2 THR A 31 3.100 9.347 -4.940 1.00 0.00 C ATOM 0 H THR A 31 6.004 8.328 -4.690 1.00 0.00 H new ATOM 0 HA THR A 31 5.866 10.148 -6.785 1.00 0.00 H new ATOM 0 HB THR A 31 4.419 8.087 -6.071 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.243 8.657 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.224 8.724 -5.121 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.549 9.073 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.801 10.395 -4.913 1.00 0.00 H new ATOM 485 N ASN A 32 4.899 11.403 -3.932 1.00 0.00 N ATOM 486 CA ASN A 32 4.560 12.668 -3.232 1.00 0.00 C ATOM 487 C ASN A 32 3.537 13.455 -4.052 1.00 0.00 C ATOM 488 O ASN A 32 3.667 14.647 -4.248 1.00 0.00 O ATOM 489 CB ASN A 32 5.847 13.479 -3.047 1.00 0.00 C ATOM 490 CG ASN A 32 6.205 14.191 -4.354 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.677 13.574 -5.288 1.00 0.00 O ATOM 492 ND2 ASN A 32 5.999 15.475 -4.460 1.00 0.00 N ATOM 0 H ASN A 32 5.063 10.606 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 32 4.121 12.457 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.716 14.209 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.662 12.821 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.234 15.959 -5.326 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.603 15.994 -3.677 1.00 0.00 H new ATOM 499 N GLU A 33 2.523 12.792 -4.538 1.00 0.00 N ATOM 500 CA GLU A 33 1.498 13.501 -5.352 1.00 0.00 C ATOM 501 C GLU A 33 0.618 14.355 -4.438 1.00 0.00 C ATOM 502 O GLU A 33 0.529 14.121 -3.249 1.00 0.00 O ATOM 503 CB GLU A 33 0.630 12.475 -6.081 1.00 0.00 C ATOM 504 CG GLU A 33 1.178 12.254 -7.492 1.00 0.00 C ATOM 505 CD GLU A 33 1.014 13.536 -8.311 1.00 0.00 C ATOM 506 OE1 GLU A 33 0.544 14.514 -7.755 1.00 0.00 O ATOM 507 OE2 GLU A 33 1.361 13.517 -9.480 1.00 0.00 O ATOM 0 H GLU A 33 2.361 11.794 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 33 1.994 14.143 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.621 11.534 -5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.401 12.825 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.230 11.972 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.649 11.432 -7.974 1.00 0.00 H new ATOM 514 N THR A 34 -0.039 15.341 -4.986 1.00 0.00 N ATOM 515 CA THR A 34 -0.920 16.203 -4.151 1.00 0.00 C ATOM 516 C THR A 34 -2.322 15.597 -4.116 1.00 0.00 C ATOM 517 O THR A 34 -3.317 16.296 -4.167 1.00 0.00 O ATOM 518 CB THR A 34 -0.983 17.609 -4.750 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.826 18.427 -3.948 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.545 17.531 -6.168 1.00 0.00 C ATOM 0 H THR A 34 -0.003 15.586 -5.976 1.00 0.00 H new ATOM 0 HA THR A 34 -0.520 16.264 -3.139 1.00 0.00 H new ATOM 0 HB THR A 34 0.018 18.039 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.649 17.939 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.591 18.532 -6.597 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.899 16.903 -6.781 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.547 17.102 -6.139 1.00 0.00 H new ATOM 528 N TYR A 35 -2.405 14.300 -4.032 1.00 0.00 N ATOM 529 CA TYR A 35 -3.733 13.630 -3.994 1.00 0.00 C ATOM 530 C TYR A 35 -3.674 12.453 -3.029 1.00 0.00 C ATOM 531 O TYR A 35 -2.861 12.408 -2.126 1.00 0.00 O ATOM 532 CB TYR A 35 -4.084 13.086 -5.381 1.00 0.00 C ATOM 533 CG TYR A 35 -3.543 14.009 -6.449 1.00 0.00 C ATOM 534 CD1 TYR A 35 -4.083 15.291 -6.602 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.507 13.580 -7.287 1.00 0.00 C ATOM 536 CE1 TYR A 35 -3.589 16.144 -7.595 1.00 0.00 C ATOM 537 CE2 TYR A 35 -2.014 14.434 -8.282 1.00 0.00 C ATOM 538 CZ TYR A 35 -2.554 15.716 -8.436 1.00 0.00 C ATOM 539 OH TYR A 35 -2.069 16.556 -9.415 1.00 0.00 O ATOM 0 H TYR A 35 -1.604 13.671 -3.988 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.483 14.354 -3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.666 12.087 -5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.165 12.994 -5.482 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.881 15.622 -5.954 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.088 12.592 -7.167 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.006 17.133 -7.713 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.217 14.103 -8.931 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.353 16.104 -9.908 1.00 0.00 H new ATOM 549 N GLY A 36 -4.519 11.488 -3.235 1.00 0.00 N ATOM 550 CA GLY A 36 -4.511 10.289 -2.362 1.00 0.00 C ATOM 551 C GLY A 36 -4.096 9.087 -3.206 1.00 0.00 C ATOM 552 O GLY A 36 -4.883 8.201 -3.469 1.00 0.00 O ATOM 0 H GLY A 36 -5.220 11.479 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.818 10.428 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.498 10.127 -1.930 1.00 0.00 H new ATOM 556 N LYS A 37 -2.859 9.044 -3.627 1.00 0.00 N ATOM 557 CA LYS A 37 -2.395 7.903 -4.438 1.00 0.00 C ATOM 558 C LYS A 37 -1.037 7.501 -3.884 1.00 0.00 C ATOM 559 O LYS A 37 -0.162 7.040 -4.567 1.00 0.00 O ATOM 560 CB LYS A 37 -2.277 8.318 -5.906 1.00 0.00 C ATOM 561 CG LYS A 37 -3.668 8.353 -6.542 1.00 0.00 C ATOM 562 CD LYS A 37 -3.582 8.985 -7.932 1.00 0.00 C ATOM 563 CE LYS A 37 -3.708 10.503 -7.811 1.00 0.00 C ATOM 564 NZ LYS A 37 -4.948 10.957 -8.502 1.00 0.00 N ATOM 0 H LYS A 37 -2.155 9.757 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.095 7.069 -4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.807 9.299 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.638 7.617 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.071 7.343 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.352 8.924 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.634 8.725 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.374 8.594 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.737 10.793 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.836 10.987 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.033 11.990 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.902 10.693 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.775 10.505 -8.063 1.00 0.00 H new ATOM 578 N LEU A 38 -0.867 7.717 -2.629 1.00 0.00 N ATOM 579 CA LEU A 38 0.397 7.422 -1.957 1.00 0.00 C ATOM 580 C LEU A 38 0.143 6.280 -0.993 1.00 0.00 C ATOM 581 O LEU A 38 0.257 6.430 0.207 1.00 0.00 O ATOM 582 CB LEU A 38 0.751 8.656 -1.164 1.00 0.00 C ATOM 583 CG LEU A 38 0.448 9.940 -1.969 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.583 9.722 -3.482 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.952 10.452 -1.634 1.00 0.00 C ATOM 0 H LEU A 38 -1.586 8.103 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 38 1.191 7.157 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.188 8.667 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.808 8.631 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 38 1.188 10.687 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.360 10.652 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.601 9.409 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.116 8.950 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.155 11.357 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.689 9.689 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.012 10.675 -0.569 1.00 0.00 H new ATOM 597 N GLU A 39 -0.258 5.162 -1.496 1.00 0.00 N ATOM 598 CA GLU A 39 -0.583 4.045 -0.593 1.00 0.00 C ATOM 599 C GLU A 39 -1.041 2.866 -1.437 1.00 0.00 C ATOM 600 O GLU A 39 -0.681 2.743 -2.591 1.00 0.00 O ATOM 601 CB GLU A 39 -1.711 4.513 0.327 1.00 0.00 C ATOM 602 CG GLU A 39 -1.265 4.394 1.785 1.00 0.00 C ATOM 603 CD GLU A 39 -2.438 4.721 2.710 1.00 0.00 C ATOM 604 OE1 GLU A 39 -3.402 5.297 2.232 1.00 0.00 O ATOM 605 OE2 GLU A 39 -2.353 4.389 3.881 1.00 0.00 O ATOM 0 H GLU A 39 -0.375 4.973 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 39 0.278 3.741 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.975 5.546 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.604 3.912 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.903 3.385 1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.436 5.074 1.979 1.00 0.00 H new ATOM 612 N ALA A 40 -1.853 2.019 -0.898 1.00 0.00 N ATOM 613 CA ALA A 40 -2.345 0.882 -1.710 1.00 0.00 C ATOM 614 C ALA A 40 -3.374 1.414 -2.702 1.00 0.00 C ATOM 615 O ALA A 40 -3.963 2.454 -2.502 1.00 0.00 O ATOM 616 CB ALA A 40 -3.002 -0.157 -0.804 1.00 0.00 C ATOM 0 H ALA A 40 -2.198 2.060 0.061 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.514 0.413 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.362 -0.990 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.273 -0.521 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.841 0.298 -0.277 1.00 0.00 H new ATOM 622 N VAL A 41 -3.600 0.704 -3.761 1.00 0.00 N ATOM 623 CA VAL A 41 -4.595 1.151 -4.764 1.00 0.00 C ATOM 624 C VAL A 41 -5.887 0.401 -4.491 1.00 0.00 C ATOM 625 O VAL A 41 -6.974 0.936 -4.577 1.00 0.00 O ATOM 626 CB VAL A 41 -4.066 0.813 -6.175 1.00 0.00 C ATOM 627 CG1 VAL A 41 -5.010 -0.146 -6.888 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.962 2.086 -7.011 1.00 0.00 C ATOM 0 H VAL A 41 -3.134 -0.177 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.768 2.225 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.086 0.349 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.619 -0.371 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.094 -1.068 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.994 0.314 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.588 1.839 -8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.946 2.546 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.277 2.783 -6.529 1.00 0.00 H new ATOM 638 N GLN A 42 -5.758 -0.850 -4.185 1.00 0.00 N ATOM 639 CA GLN A 42 -6.961 -1.676 -3.930 1.00 0.00 C ATOM 640 C GLN A 42 -6.534 -3.135 -3.851 1.00 0.00 C ATOM 641 O GLN A 42 -5.427 -3.492 -4.199 1.00 0.00 O ATOM 642 CB GLN A 42 -7.971 -1.435 -5.078 1.00 0.00 C ATOM 643 CG GLN A 42 -8.480 -2.756 -5.694 1.00 0.00 C ATOM 644 CD GLN A 42 -7.344 -3.431 -6.467 1.00 0.00 C ATOM 645 OE1 GLN A 42 -7.059 -4.678 -6.211 1.00 0.00 O flip ATOM 646 NE2 GLN A 42 -6.714 -2.821 -7.308 1.00 0.00 N flip ATOM 0 H GLN A 42 -4.868 -1.340 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.442 -1.408 -2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.818 -0.862 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.499 -0.832 -5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.844 -3.419 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.320 -2.559 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.939 -1.846 -7.506 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.960 -3.284 -7.816 1.00 0.00 H new ATOM 655 N TYR A 43 -7.403 -3.982 -3.404 1.00 0.00 N ATOM 656 CA TYR A 43 -7.047 -5.410 -3.311 1.00 0.00 C ATOM 657 C TYR A 43 -8.281 -6.248 -3.617 1.00 0.00 C ATOM 658 O TYR A 43 -9.279 -6.178 -2.924 1.00 0.00 O ATOM 659 CB TYR A 43 -6.559 -5.712 -1.906 1.00 0.00 C ATOM 660 CG TYR A 43 -7.692 -5.475 -0.942 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.237 -4.191 -0.793 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.215 -6.545 -0.212 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.303 -3.984 0.090 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.284 -6.339 0.668 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.827 -5.059 0.819 1.00 0.00 C ATOM 666 OH TYR A 43 -10.885 -4.860 1.683 1.00 0.00 O ATOM 0 H TYR A 43 -8.347 -3.746 -3.098 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.259 -5.647 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.215 -6.744 -1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.710 -5.076 -1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.835 -3.364 -1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.794 -7.533 -0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.721 -2.996 0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.689 -7.168 1.230 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.125 -5.710 2.107 1.00 0.00 H new ATOM 676 N LYS A 44 -8.228 -7.035 -4.650 1.00 0.00 N ATOM 677 CA LYS A 44 -9.399 -7.872 -4.992 1.00 0.00 C ATOM 678 C LYS A 44 -9.270 -9.197 -4.253 1.00 0.00 C ATOM 679 O LYS A 44 -8.191 -9.608 -3.875 1.00 0.00 O ATOM 680 CB LYS A 44 -9.450 -8.116 -6.512 1.00 0.00 C ATOM 681 CG LYS A 44 -10.165 -9.440 -6.828 1.00 0.00 C ATOM 682 CD LYS A 44 -10.770 -9.381 -8.229 1.00 0.00 C ATOM 683 CE LYS A 44 -12.014 -8.489 -8.214 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.810 -8.732 -9.452 1.00 0.00 N ATOM 0 H LYS A 44 -7.424 -7.133 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.319 -7.367 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.969 -7.291 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.438 -8.139 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.461 -10.269 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.947 -9.626 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.038 -8.990 -8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.033 -10.384 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.618 -8.702 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.723 -7.440 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.022 -7.824 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.264 -9.331 -10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.700 -9.211 -9.204 1.00 0.00 H new ATOM 698 N THR A 45 -10.355 -9.867 -4.044 1.00 0.00 N ATOM 699 CA THR A 45 -10.288 -11.167 -3.331 1.00 0.00 C ATOM 700 C THR A 45 -11.061 -12.223 -4.115 1.00 0.00 C ATOM 701 O THR A 45 -12.100 -11.957 -4.686 1.00 0.00 O ATOM 702 CB THR A 45 -10.901 -11.018 -1.940 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.439 -9.711 -1.799 1.00 0.00 O ATOM 704 CG2 THR A 45 -9.827 -11.249 -0.877 1.00 0.00 C ATOM 0 H THR A 45 -11.288 -9.575 -4.334 1.00 0.00 H new ATOM 0 HA THR A 45 -9.246 -11.474 -3.240 1.00 0.00 H new ATOM 0 HB THR A 45 -11.695 -11.754 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.834 -9.614 -0.907 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.267 -11.142 0.114 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.418 -12.253 -0.986 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.029 -10.517 -1.001 1.00 0.00 H new ATOM 712 N GLN A 46 -10.556 -13.420 -4.144 1.00 0.00 N ATOM 713 CA GLN A 46 -11.246 -14.508 -4.885 1.00 0.00 C ATOM 714 C GLN A 46 -10.707 -15.851 -4.399 1.00 0.00 C ATOM 715 O GLN A 46 -9.698 -15.913 -3.726 1.00 0.00 O ATOM 716 CB GLN A 46 -10.970 -14.358 -6.382 1.00 0.00 C ATOM 717 CG GLN A 46 -9.469 -14.156 -6.603 1.00 0.00 C ATOM 718 CD GLN A 46 -9.183 -14.001 -8.098 1.00 0.00 C ATOM 719 OE1 GLN A 46 -9.955 -14.595 -8.966 1.00 0.00 O flip ATOM 720 NE2 GLN A 46 -8.242 -13.334 -8.480 1.00 0.00 N flip ATOM 0 H GLN A 46 -9.688 -13.694 -3.683 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.321 -14.455 -4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.312 -15.244 -6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.525 -13.510 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.128 -13.272 -6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.915 -15.006 -6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.638 -12.869 -7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.056 -13.239 -9.478 1.00 0.00 H new ATOM 729 N VAL A 47 -11.361 -16.924 -4.730 1.00 0.00 N ATOM 730 CA VAL A 47 -10.869 -18.259 -4.285 1.00 0.00 C ATOM 731 C VAL A 47 -9.934 -18.824 -5.337 1.00 0.00 C ATOM 732 O VAL A 47 -9.348 -18.090 -6.108 1.00 0.00 O ATOM 733 CB VAL A 47 -12.047 -19.220 -4.074 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.767 -20.104 -2.858 1.00 0.00 C ATOM 735 CG2 VAL A 47 -13.334 -18.424 -3.834 1.00 0.00 C ATOM 0 H VAL A 47 -12.214 -16.938 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.337 -18.145 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.168 -19.839 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.602 -20.788 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.855 -20.677 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.644 -19.478 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.165 -19.113 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.216 -17.800 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.537 -17.792 -4.698 1.00 0.00 H new ATOM 745 N VAL A 48 -9.783 -20.121 -5.337 1.00 0.00 N ATOM 746 CA VAL A 48 -8.870 -20.806 -6.296 1.00 0.00 C ATOM 747 C VAL A 48 -8.585 -22.192 -5.730 1.00 0.00 C ATOM 748 O VAL A 48 -8.687 -23.205 -6.391 1.00 0.00 O ATOM 749 CB VAL A 48 -7.552 -19.996 -6.406 1.00 0.00 C ATOM 750 CG1 VAL A 48 -6.419 -20.611 -5.572 1.00 0.00 C ATOM 751 CG2 VAL A 48 -7.121 -19.919 -7.873 1.00 0.00 C ATOM 0 H VAL A 48 -10.267 -20.749 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.316 -20.882 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.746 -18.998 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.518 -20.008 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.712 -20.637 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.221 -21.625 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.195 -19.350 -7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.962 -20.926 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.899 -19.426 -8.456 1.00 0.00 H new ATOM 761 N ALA A 49 -8.197 -22.184 -4.495 1.00 0.00 N ATOM 762 CA ALA A 49 -7.832 -23.423 -3.757 1.00 0.00 C ATOM 763 C ALA A 49 -6.817 -22.994 -2.699 1.00 0.00 C ATOM 764 O ALA A 49 -5.764 -23.575 -2.531 1.00 0.00 O ATOM 765 CB ALA A 49 -7.206 -24.438 -4.717 1.00 0.00 C ATOM 0 H ALA A 49 -8.113 -21.333 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.703 -23.897 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.942 -25.342 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.921 -24.685 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.309 -24.010 -5.165 1.00 0.00 H new ATOM 771 N GLY A 50 -7.145 -21.932 -2.017 1.00 0.00 N ATOM 772 CA GLY A 50 -6.258 -21.343 -0.979 1.00 0.00 C ATOM 773 C GLY A 50 -6.701 -19.887 -0.809 1.00 0.00 C ATOM 774 O GLY A 50 -6.590 -19.310 0.254 1.00 0.00 O ATOM 0 H GLY A 50 -8.025 -21.432 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.345 -21.888 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.213 -21.398 -1.284 1.00 0.00 H new ATOM 778 N THR A 51 -7.228 -19.326 -1.882 1.00 0.00 N ATOM 779 CA THR A 51 -7.751 -17.922 -1.900 1.00 0.00 C ATOM 780 C THR A 51 -6.771 -16.988 -2.612 1.00 0.00 C ATOM 781 O THR A 51 -5.739 -16.633 -2.078 1.00 0.00 O ATOM 782 CB THR A 51 -7.981 -17.414 -0.488 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.723 -18.377 0.249 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.756 -16.096 -0.543 1.00 0.00 C ATOM 0 H THR A 51 -7.317 -19.808 -2.777 1.00 0.00 H new ATOM 0 HA THR A 51 -8.698 -17.931 -2.439 1.00 0.00 H new ATOM 0 HB THR A 51 -7.021 -17.249 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.117 -18.883 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.922 -15.729 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.182 -15.360 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.716 -16.259 -1.032 1.00 0.00 H new ATOM 792 N ASN A 52 -7.094 -16.574 -3.811 1.00 0.00 N ATOM 793 CA ASN A 52 -6.186 -15.647 -4.543 1.00 0.00 C ATOM 794 C ASN A 52 -6.421 -14.207 -4.069 1.00 0.00 C ATOM 795 O ASN A 52 -7.541 -13.791 -3.854 1.00 0.00 O ATOM 796 CB ASN A 52 -6.482 -15.723 -6.040 1.00 0.00 C ATOM 797 CG ASN A 52 -5.171 -15.861 -6.816 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.381 -14.938 -6.866 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.902 -16.983 -7.426 1.00 0.00 N ATOM 0 H ASN A 52 -7.943 -16.837 -4.311 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.153 -15.935 -4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.132 -16.573 -6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.014 -14.828 -6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.029 -17.085 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.564 -17.758 -7.384 1.00 0.00 H new ATOM 806 N TYR A 53 -5.373 -13.436 -3.931 1.00 0.00 N ATOM 807 CA TYR A 53 -5.541 -12.015 -3.501 1.00 0.00 C ATOM 808 C TYR A 53 -4.773 -11.112 -4.470 1.00 0.00 C ATOM 809 O TYR A 53 -3.590 -11.277 -4.686 1.00 0.00 O ATOM 810 CB TYR A 53 -4.996 -11.805 -2.081 1.00 0.00 C ATOM 811 CG TYR A 53 -5.613 -12.796 -1.118 1.00 0.00 C ATOM 812 CD1 TYR A 53 -5.055 -14.072 -0.961 1.00 0.00 C ATOM 813 CD2 TYR A 53 -6.735 -12.429 -0.364 1.00 0.00 C ATOM 814 CE1 TYR A 53 -5.619 -14.978 -0.053 1.00 0.00 C ATOM 815 CE2 TYR A 53 -7.295 -13.334 0.545 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.738 -14.608 0.700 1.00 0.00 C ATOM 817 OH TYR A 53 -7.287 -15.500 1.599 1.00 0.00 O ATOM 0 H TYR A 53 -4.410 -13.728 -4.097 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.603 -11.769 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.912 -11.918 -2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.210 -10.788 -1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.189 -14.357 -1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.168 -11.447 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.190 -15.962 0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.158 -13.048 1.128 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.952 -15.039 2.152 1.00 0.00 H new ATOM 827 N TYR A 54 -5.446 -10.164 -5.057 1.00 0.00 N ATOM 828 CA TYR A 54 -4.774 -9.246 -6.022 1.00 0.00 C ATOM 829 C TYR A 54 -4.514 -7.898 -5.344 1.00 0.00 C ATOM 830 O TYR A 54 -5.391 -7.068 -5.256 1.00 0.00 O ATOM 831 CB TYR A 54 -5.700 -9.036 -7.220 1.00 0.00 C ATOM 832 CG TYR A 54 -4.885 -8.947 -8.488 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.054 -10.011 -8.860 1.00 0.00 C ATOM 834 CD2 TYR A 54 -4.961 -7.804 -9.293 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.300 -9.932 -10.036 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.207 -7.725 -10.470 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.375 -8.789 -10.841 1.00 0.00 C ATOM 838 OH TYR A 54 -2.632 -8.712 -12.001 1.00 0.00 O ATOM 0 H TYR A 54 -6.439 -9.983 -4.910 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.827 -9.676 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.410 -9.860 -7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.282 -8.124 -7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.995 -10.893 -8.239 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.601 -6.983 -9.006 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.660 -10.753 -10.323 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.267 -6.844 -11.092 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.801 -7.853 -12.441 1.00 0.00 H new ATOM 848 N ILE A 55 -3.329 -7.665 -4.848 1.00 0.00 N ATOM 849 CA ILE A 55 -3.071 -6.369 -4.168 1.00 0.00 C ATOM 850 C ILE A 55 -2.421 -5.371 -5.120 1.00 0.00 C ATOM 851 O ILE A 55 -1.216 -5.247 -5.179 1.00 0.00 O ATOM 852 CB ILE A 55 -2.150 -6.610 -2.974 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.542 -7.912 -2.273 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.279 -5.450 -1.993 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.048 -7.918 -2.004 1.00 0.00 C ATOM 0 H ILE A 55 -2.539 -8.309 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.021 -5.952 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.120 -6.684 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.270 -8.766 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.995 -8.011 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.622 -5.620 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.997 -4.521 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.311 -5.378 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.325 -8.847 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.307 -7.072 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.587 -7.840 -2.948 1.00 0.00 H new ATOM 867 N LYS A 56 -3.217 -4.621 -5.828 1.00 0.00 N ATOM 868 CA LYS A 56 -2.659 -3.597 -6.736 1.00 0.00 C ATOM 869 C LYS A 56 -2.302 -2.395 -5.864 1.00 0.00 C ATOM 870 O LYS A 56 -3.164 -1.801 -5.248 1.00 0.00 O ATOM 871 CB LYS A 56 -3.731 -3.208 -7.747 1.00 0.00 C ATOM 872 CG LYS A 56 -3.120 -2.312 -8.826 1.00 0.00 C ATOM 873 CD LYS A 56 -3.816 -2.575 -10.163 1.00 0.00 C ATOM 874 CE LYS A 56 -4.651 -1.354 -10.553 1.00 0.00 C ATOM 875 NZ LYS A 56 -5.408 -1.649 -11.801 1.00 0.00 N ATOM 0 H LYS A 56 -4.235 -4.678 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.783 -3.958 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.158 -4.102 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.546 -2.686 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.229 -1.264 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.052 -2.509 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.076 -2.784 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.454 -3.455 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.341 -1.099 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.004 -0.490 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.976 -0.819 -12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.741 -1.872 -12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.037 -2.462 -11.642 1.00 0.00 H new ATOM 889 N VAL A 57 -1.054 -2.043 -5.760 1.00 0.00 N ATOM 890 CA VAL A 57 -0.710 -0.899 -4.871 1.00 0.00 C ATOM 891 C VAL A 57 -0.643 0.409 -5.671 1.00 0.00 C ATOM 892 O VAL A 57 -0.229 0.447 -6.813 1.00 0.00 O ATOM 893 CB VAL A 57 0.613 -1.169 -4.116 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.382 -2.316 -4.760 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.480 0.088 -4.099 1.00 0.00 C ATOM 0 H VAL A 57 -0.271 -2.486 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.499 -0.792 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 57 0.366 -1.448 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.308 -2.486 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.774 -3.220 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.615 -2.063 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.408 -0.117 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.709 0.386 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.943 0.894 -3.598 1.00 0.00 H new ATOM 905 N ARG A 58 -1.066 1.476 -5.051 1.00 0.00 N ATOM 906 CA ARG A 58 -1.066 2.812 -5.709 1.00 0.00 C ATOM 907 C ARG A 58 0.241 3.545 -5.404 1.00 0.00 C ATOM 908 O ARG A 58 0.716 3.538 -4.283 1.00 0.00 O ATOM 909 CB ARG A 58 -2.277 3.600 -5.154 1.00 0.00 C ATOM 910 CG ARG A 58 -1.879 4.933 -4.481 1.00 0.00 C ATOM 911 CD ARG A 58 -2.674 5.120 -3.189 1.00 0.00 C ATOM 912 NE ARG A 58 -4.076 4.689 -3.415 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.062 5.345 -2.862 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.848 6.048 -1.783 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.255 5.301 -3.389 1.00 0.00 N ATOM 0 H ARG A 58 -1.419 1.477 -4.094 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.144 2.713 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.973 3.805 -5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.806 2.979 -4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.811 4.937 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.070 5.764 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.226 4.537 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.647 6.165 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.271 3.879 -4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.914 6.084 -1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.615 6.561 -1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.419 4.754 -4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.023 5.814 -2.956 1.00 0.00 H new ATOM 929 N ALA A 59 0.803 4.223 -6.367 1.00 0.00 N ATOM 930 CA ALA A 59 2.039 4.979 -6.085 1.00 0.00 C ATOM 931 C ALA A 59 1.864 6.406 -6.593 1.00 0.00 C ATOM 932 O ALA A 59 2.818 7.093 -6.867 1.00 0.00 O ATOM 933 CB ALA A 59 3.216 4.318 -6.791 1.00 0.00 C ATOM 0 H ALA A 59 0.458 4.282 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 59 2.234 4.990 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.127 4.878 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.328 3.295 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.036 4.307 -7.866 1.00 0.00 H new ATOM 939 N GLY A 60 0.652 6.871 -6.706 1.00 0.00 N ATOM 940 CA GLY A 60 0.455 8.269 -7.181 1.00 0.00 C ATOM 941 C GLY A 60 -0.328 8.261 -8.496 1.00 0.00 C ATOM 942 O GLY A 60 -1.101 7.363 -8.765 1.00 0.00 O ATOM 0 H GLY A 60 -0.200 6.353 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.083 8.846 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.420 8.754 -7.324 1.00 0.00 H new ATOM 946 N ASP A 61 -0.130 9.255 -9.319 1.00 0.00 N ATOM 947 CA ASP A 61 -0.860 9.305 -10.617 1.00 0.00 C ATOM 948 C ASP A 61 0.053 8.812 -11.742 1.00 0.00 C ATOM 949 O ASP A 61 -0.402 8.460 -12.811 1.00 0.00 O ATOM 950 CB ASP A 61 -1.294 10.744 -10.902 1.00 0.00 C ATOM 951 CG ASP A 61 -2.187 10.769 -12.145 1.00 0.00 C ATOM 952 OD1 ASP A 61 -3.354 10.441 -12.017 1.00 0.00 O ATOM 953 OD2 ASP A 61 -1.687 11.116 -13.201 1.00 0.00 O ATOM 0 H ASP A 61 0.506 10.034 -9.148 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.740 8.664 -10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.833 11.149 -10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.419 11.376 -11.056 1.00 0.00 H new ATOM 958 N ASN A 62 1.340 8.784 -11.512 1.00 0.00 N ATOM 959 CA ASN A 62 2.272 8.313 -12.568 1.00 0.00 C ATOM 960 C ASN A 62 3.013 7.063 -12.083 1.00 0.00 C ATOM 961 O ASN A 62 3.422 6.231 -12.867 1.00 0.00 O ATOM 962 CB ASN A 62 3.287 9.411 -12.906 1.00 0.00 C ATOM 963 CG ASN A 62 3.498 10.316 -11.690 1.00 0.00 C ATOM 964 OD1 ASN A 62 4.012 9.815 -10.600 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 3.193 11.492 -11.733 1.00 0.00 N flip ATOM 0 H ASN A 62 1.782 9.068 -10.637 1.00 0.00 H new ATOM 0 HA ASN A 62 1.698 8.072 -13.463 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.234 8.963 -13.206 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.931 10.000 -13.751 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.791 11.884 -12.585 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.339 12.087 -10.917 1.00 0.00 H new ATOM 972 N LYS A 63 3.180 6.919 -10.795 1.00 0.00 N ATOM 973 CA LYS A 63 3.884 5.717 -10.268 1.00 0.00 C ATOM 974 C LYS A 63 2.827 4.682 -9.863 1.00 0.00 C ATOM 975 O LYS A 63 1.708 5.024 -9.514 1.00 0.00 O ATOM 976 CB LYS A 63 4.741 6.117 -9.067 1.00 0.00 C ATOM 977 CG LYS A 63 5.808 7.119 -9.506 1.00 0.00 C ATOM 978 CD LYS A 63 5.763 8.334 -8.581 1.00 0.00 C ATOM 979 CE LYS A 63 7.009 9.193 -8.807 1.00 0.00 C ATOM 980 NZ LYS A 63 6.603 10.597 -9.095 1.00 0.00 N ATOM 0 H LYS A 63 2.860 7.581 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 63 4.539 5.288 -11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.114 6.556 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.213 5.235 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.795 6.657 -9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.635 7.425 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.864 8.919 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.714 8.011 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.649 9.163 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.592 8.795 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.210 10.987 -9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.612 10.614 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.704 11.171 -8.234 1.00 0.00 H new ATOM 994 N TYR A 64 3.144 3.418 -9.924 1.00 0.00 N ATOM 995 CA TYR A 64 2.117 2.404 -9.581 1.00 0.00 C ATOM 996 C TYR A 64 2.782 1.065 -9.304 1.00 0.00 C ATOM 997 O TYR A 64 3.657 0.632 -10.027 1.00 0.00 O ATOM 998 CB TYR A 64 1.175 2.256 -10.775 1.00 0.00 C ATOM 999 CG TYR A 64 -0.238 2.596 -10.363 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.689 3.917 -10.453 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.097 1.591 -9.901 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -1.999 4.235 -10.079 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.409 1.910 -9.528 1.00 0.00 C ATOM 1004 CZ TYR A 64 -2.859 3.233 -9.618 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.153 3.549 -9.254 1.00 0.00 O ATOM 0 H TYR A 64 4.057 3.050 -10.193 1.00 0.00 H new ATOM 0 HA TYR A 64 1.568 2.718 -8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.495 2.912 -11.584 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.216 1.236 -11.157 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.026 4.691 -10.811 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.748 0.571 -9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.347 5.255 -10.146 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.073 1.136 -9.171 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.776 2.935 -9.696 1.00 0.00 H new ATOM 1015 N LEU A 65 2.365 0.394 -8.272 1.00 0.00 N ATOM 1016 CA LEU A 65 2.969 -0.923 -7.967 1.00 0.00 C ATOM 1017 C LEU A 65 1.900 -1.990 -8.014 1.00 0.00 C ATOM 1018 O LEU A 65 0.773 -1.740 -8.392 1.00 0.00 O ATOM 1019 CB LEU A 65 3.612 -0.889 -6.586 1.00 0.00 C ATOM 1020 CG LEU A 65 4.464 0.382 -6.474 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.621 1.493 -5.856 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.687 0.135 -5.580 1.00 0.00 C ATOM 0 H LEU A 65 1.635 0.701 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 65 3.736 -1.151 -8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.845 -0.900 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.231 -1.774 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 65 4.803 0.666 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.219 2.400 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.754 1.687 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.286 1.187 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.279 1.048 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.356 -0.157 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.296 -0.661 -6.008 1.00 0.00 H new ATOM 1034 N HIS A 66 2.232 -3.190 -7.645 1.00 0.00 N ATOM 1035 CA HIS A 66 1.213 -4.246 -7.702 1.00 0.00 C ATOM 1036 C HIS A 66 1.728 -5.523 -7.039 1.00 0.00 C ATOM 1037 O HIS A 66 2.914 -5.756 -6.929 1.00 0.00 O ATOM 1038 CB HIS A 66 0.893 -4.500 -9.163 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.439 -5.157 -9.270 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.507 -4.546 -9.895 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.902 -6.360 -8.818 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.551 -5.376 -9.801 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.240 -6.503 -9.155 1.00 0.00 N ATOM 0 H HIS A 66 3.153 -3.476 -7.312 1.00 0.00 H new ATOM 0 HA HIS A 66 0.316 -3.935 -7.166 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.893 -3.560 -9.715 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.660 -5.133 -9.610 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.315 -7.089 -8.280 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.531 -5.160 -10.201 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.851 -7.294 -8.954 1.00 0.00 H new ATOM 1051 N LEU A 67 0.824 -6.335 -6.584 1.00 0.00 N ATOM 1052 CA LEU A 67 1.194 -7.600 -5.900 1.00 0.00 C ATOM 1053 C LEU A 67 0.035 -8.564 -6.010 1.00 0.00 C ATOM 1054 O LEU A 67 -1.089 -8.188 -6.274 1.00 0.00 O ATOM 1055 CB LEU A 67 1.406 -7.303 -4.421 1.00 0.00 C ATOM 1056 CG LEU A 67 1.458 -8.607 -3.614 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.732 -9.373 -3.941 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.453 -8.252 -2.130 1.00 0.00 C ATOM 0 H LEU A 67 -0.180 -6.172 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 67 2.094 -8.020 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.333 -6.747 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.598 -6.671 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 67 0.599 -9.229 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.760 -10.297 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.751 -9.610 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.599 -8.762 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.490 -9.166 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.322 -7.636 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.544 -7.701 -1.891 1.00 0.00 H new ATOM 1070 N LYS A 68 0.297 -9.793 -5.754 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.746 -10.799 -5.764 1.00 0.00 C ATOM 1072 C LYS A 68 -0.516 -11.630 -4.547 1.00 0.00 C ATOM 1073 O LYS A 68 0.315 -12.522 -4.576 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.545 -11.690 -6.940 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.810 -12.481 -7.233 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.826 -13.717 -6.331 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.377 -14.964 -7.103 1.00 0.00 C ATOM 1078 NZ LYS A 68 -1.900 -14.919 -8.498 1.00 0.00 N ATOM 0 H LYS A 68 1.227 -10.147 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.737 -10.346 -5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.271 -11.095 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.282 -12.374 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.692 -11.867 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.838 -12.776 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.168 -13.557 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.830 -13.871 -5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.289 -15.021 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.737 -15.862 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.815 -15.861 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.900 -14.633 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.351 -14.232 -9.053 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.193 -11.376 -3.481 1.00 0.00 N ATOM 1093 CA VAL A 69 -0.930 -12.217 -2.314 1.00 0.00 C ATOM 1094 C VAL A 69 -1.719 -13.506 -2.492 1.00 0.00 C ATOM 1095 O VAL A 69 -2.872 -13.484 -2.858 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.342 -11.504 -1.027 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.250 -12.480 0.147 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.405 -10.321 -0.778 1.00 0.00 C ATOM 0 H VAL A 69 -1.896 -10.645 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 69 0.136 -12.431 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.366 -11.144 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.544 -11.973 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.915 -13.325 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.225 -12.839 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.698 -9.812 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.619 -10.682 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.467 -9.625 -1.615 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.111 -14.633 -2.288 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.859 -15.895 -2.502 1.00 0.00 C ATOM 1110 C PHE A 70 -1.566 -16.893 -1.386 1.00 0.00 C ATOM 1111 O PHE A 70 -0.433 -17.206 -1.104 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.424 -16.490 -3.835 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.168 -17.781 -4.067 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.510 -17.888 -3.690 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.516 -18.867 -4.659 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -4.205 -19.085 -3.907 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.210 -20.065 -4.878 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.555 -20.173 -4.501 1.00 0.00 C ATOM 0 H PHE A 70 -0.142 -14.737 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.928 -15.684 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.628 -15.788 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.349 -16.671 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.011 -17.048 -3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.479 -18.783 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.242 -19.168 -3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.708 -20.904 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.090 -21.096 -4.669 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.587 -17.416 -0.766 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.368 -18.417 0.313 1.00 0.00 C ATOM 1130 C LYS A 71 -2.520 -19.810 -0.291 1.00 0.00 C ATOM 1131 O LYS A 71 -3.435 -20.543 0.030 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.404 -18.217 1.422 1.00 0.00 C ATOM 1133 CG LYS A 71 -3.261 -16.812 2.005 1.00 0.00 C ATOM 1134 CD LYS A 71 -3.895 -16.771 3.395 1.00 0.00 C ATOM 1135 CE LYS A 71 -4.044 -15.317 3.845 1.00 0.00 C ATOM 1136 NZ LYS A 71 -5.344 -15.149 4.552 1.00 0.00 N ATOM 0 H LYS A 71 -3.563 -17.193 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.372 -18.299 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.409 -18.357 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.264 -18.963 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.208 -16.537 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.743 -16.085 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.870 -17.259 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.277 -17.321 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.221 -15.043 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.997 -14.651 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.447 -14.161 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.123 -15.395 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.371 -15.774 5.383 1.00 0.00 H new ATOM 1150 N SER A 72 -1.633 -20.172 -1.178 1.00 0.00 N ATOM 1151 CA SER A 72 -1.720 -21.508 -1.827 1.00 0.00 C ATOM 1152 C SER A 72 -2.105 -22.568 -0.795 1.00 0.00 C ATOM 1153 O SER A 72 -1.377 -22.836 0.141 1.00 0.00 O ATOM 1154 CB SER A 72 -0.367 -21.867 -2.443 1.00 0.00 C ATOM 1155 OG SER A 72 -0.334 -21.442 -3.798 1.00 0.00 O ATOM 0 H SER A 72 -0.848 -19.595 -1.481 1.00 0.00 H new ATOM 0 HA SER A 72 -2.481 -21.475 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.437 -21.391 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.203 -22.943 -2.384 1.00 0.00 H new ATOM 0 HG SER A 72 -0.957 -20.696 -3.922 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.243 -23.173 -0.969 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.691 -24.225 -0.018 1.00 0.00 C ATOM 1163 C LEU A 73 -4.748 -25.092 -0.710 1.00 0.00 C ATOM 1164 O LEU A 73 -5.866 -25.197 -0.251 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.271 -23.548 1.225 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.039 -24.564 2.065 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.563 -24.491 3.518 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.529 -24.231 1.994 1.00 0.00 C ATOM 0 H LEU A 73 -3.888 -22.983 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.858 -24.859 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.468 -23.108 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.933 -22.734 0.930 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.866 -25.571 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.112 -25.217 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.497 -24.715 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.740 -23.489 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.091 -24.950 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.696 -23.227 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.864 -24.279 0.958 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.363 -25.682 -1.816 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.264 -26.539 -2.606 1.00 0.00 C ATOM 1182 C PRO A 74 -5.319 -27.950 -2.013 1.00 0.00 C ATOM 1183 O PRO A 74 -5.223 -28.934 -2.723 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.607 -26.561 -3.988 1.00 0.00 C ATOM 1185 CG PRO A 74 -3.109 -26.240 -3.762 1.00 0.00 C ATOM 1186 CD PRO A 74 -3.008 -25.544 -2.392 1.00 0.00 C ATOM 0 HA PRO A 74 -6.292 -26.177 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.729 -27.535 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.067 -25.826 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.511 -27.151 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.728 -25.594 -4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.256 -26.016 -1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.724 -24.497 -2.497 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.476 -28.062 -0.724 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.540 -29.411 -0.096 1.00 0.00 C ATOM 1196 C GLY A 75 -4.134 -29.865 0.297 1.00 0.00 C ATOM 1197 O GLY A 75 -3.954 -30.632 1.223 1.00 0.00 O ATOM 0 H GLY A 75 -5.563 -27.278 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.182 -29.383 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.982 -30.125 -0.791 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.132 -29.401 -0.400 1.00 0.00 N ATOM 1202 CA GLN A 76 -1.740 -29.811 -0.065 1.00 0.00 C ATOM 1203 C GLN A 76 -1.130 -28.798 0.908 1.00 0.00 C ATOM 1204 O GLN A 76 -0.203 -29.100 1.635 1.00 0.00 O ATOM 1205 CB GLN A 76 -0.901 -29.860 -1.343 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.242 -31.234 -1.470 1.00 0.00 C ATOM 1207 CD GLN A 76 0.564 -31.533 -0.205 1.00 0.00 C ATOM 1208 OE1 GLN A 76 0.009 -31.900 0.811 1.00 0.00 O ATOM 1209 NE2 GLN A 76 1.862 -31.391 -0.223 1.00 0.00 N ATOM 0 H GLN A 76 -3.218 -28.756 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.753 -30.797 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.531 -29.666 -2.211 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.139 -29.081 -1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.002 -32.001 -1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.410 -31.257 -2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.330 -31.083 -1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.408 -31.588 0.615 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.642 -27.598 0.928 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.092 -26.569 1.854 1.00 0.00 C ATOM 1220 C ASN A 77 0.437 -26.592 1.794 1.00 0.00 C ATOM 1221 O ASN A 77 1.101 -26.859 2.775 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.550 -26.874 3.283 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.063 -25.771 4.224 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -1.240 -24.522 3.893 1.00 0.00 O flip ATOM 1225 ND2 ASN A 77 -0.516 -26.049 5.274 1.00 0.00 N flip ATOM 0 H ASN A 77 -2.417 -27.286 0.343 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.452 -25.584 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.637 -26.944 3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.157 -27.839 3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.377 -27.026 5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.196 -25.306 5.895 1.00 0.00 H new ATOM 1232 N GLU A 78 0.999 -26.316 0.650 1.00 0.00 N ATOM 1233 CA GLU A 78 2.484 -26.321 0.531 1.00 0.00 C ATOM 1234 C GLU A 78 3.004 -24.885 0.614 1.00 0.00 C ATOM 1235 O GLU A 78 3.646 -24.393 -0.293 1.00 0.00 O ATOM 1236 CB GLU A 78 2.890 -26.935 -0.811 1.00 0.00 C ATOM 1237 CG GLU A 78 3.259 -28.407 -0.610 1.00 0.00 C ATOM 1238 CD GLU A 78 4.465 -28.755 -1.484 1.00 0.00 C ATOM 1239 OE1 GLU A 78 4.277 -28.937 -2.675 1.00 0.00 O ATOM 1240 OE2 GLU A 78 5.556 -28.836 -0.945 1.00 0.00 O ATOM 0 H GLU A 78 0.495 -26.087 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 78 2.911 -26.911 1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.071 -26.849 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.736 -26.391 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.490 -28.595 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.413 -29.044 -0.869 1.00 0.00 H new ATOM 1247 N ASP A 79 2.727 -24.207 1.694 1.00 0.00 N ATOM 1248 CA ASP A 79 3.203 -22.801 1.833 1.00 0.00 C ATOM 1249 C ASP A 79 2.340 -21.887 0.959 1.00 0.00 C ATOM 1250 O ASP A 79 1.574 -22.345 0.135 1.00 0.00 O ATOM 1251 CB ASP A 79 4.664 -22.711 1.387 1.00 0.00 C ATOM 1252 CG ASP A 79 5.448 -21.847 2.376 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.025 -20.728 2.620 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.459 -22.317 2.870 1.00 0.00 O ATOM 0 H ASP A 79 2.192 -24.565 2.485 1.00 0.00 H new ATOM 0 HA ASP A 79 3.125 -22.488 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.101 -23.708 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.724 -22.282 0.387 1.00 0.00 H new ATOM 1259 N LEU A 80 2.453 -20.598 1.133 1.00 0.00 N ATOM 1260 CA LEU A 80 1.635 -19.665 0.310 1.00 0.00 C ATOM 1261 C LEU A 80 2.347 -19.357 -0.998 1.00 0.00 C ATOM 1262 O LEU A 80 3.035 -20.189 -1.555 1.00 0.00 O ATOM 1263 CB LEU A 80 1.369 -18.380 1.089 1.00 0.00 C ATOM 1264 CG LEU A 80 2.645 -17.560 1.190 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.302 -16.079 1.018 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.262 -17.800 2.561 1.00 0.00 C ATOM 0 H LEU A 80 3.075 -20.153 1.808 1.00 0.00 H new ATOM 0 HA LEU A 80 0.680 -20.138 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.592 -17.799 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.001 -18.619 2.087 1.00 0.00 H new ATOM 0 HG LEU A 80 3.353 -17.851 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.212 -15.484 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.842 -15.923 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.607 -15.773 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.180 -17.220 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.559 -17.493 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.489 -18.860 2.677 1.00 0.00 H new ATOM 1278 N VAL A 81 2.155 -18.180 -1.509 1.00 0.00 N ATOM 1279 CA VAL A 81 2.782 -17.822 -2.803 1.00 0.00 C ATOM 1280 C VAL A 81 2.384 -16.389 -3.166 1.00 0.00 C ATOM 1281 O VAL A 81 1.402 -15.868 -2.679 1.00 0.00 O ATOM 1282 CB VAL A 81 2.264 -18.822 -3.850 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.960 -18.130 -5.186 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.318 -19.908 -4.080 1.00 0.00 C ATOM 0 H VAL A 81 1.588 -17.447 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 81 3.870 -17.869 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 81 1.340 -19.259 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.596 -18.866 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.199 -17.364 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.869 -17.667 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.953 -20.618 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.240 -19.450 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.513 -20.430 -3.143 1.00 0.00 H new ATOM 1294 N LEU A 82 3.124 -15.758 -4.033 1.00 0.00 N ATOM 1295 CA LEU A 82 2.771 -14.383 -4.436 1.00 0.00 C ATOM 1296 C LEU A 82 3.082 -14.201 -5.903 1.00 0.00 C ATOM 1297 O LEU A 82 4.036 -13.549 -6.277 1.00 0.00 O ATOM 1298 CB LEU A 82 3.554 -13.358 -3.633 1.00 0.00 C ATOM 1299 CG LEU A 82 2.627 -12.783 -2.583 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.498 -13.763 -1.414 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.182 -11.453 -2.076 1.00 0.00 C ATOM 0 H LEU A 82 3.958 -16.142 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 82 1.708 -14.232 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.421 -13.823 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.929 -12.569 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 82 1.645 -12.618 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.830 -13.345 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.092 -14.708 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.480 -13.935 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.511 -11.043 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.167 -11.613 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.264 -10.752 -2.907 1.00 0.00 H new ATOM 1313 N THR A 83 2.268 -14.755 -6.740 1.00 0.00 N ATOM 1314 CA THR A 83 2.496 -14.597 -8.191 1.00 0.00 C ATOM 1315 C THR A 83 2.518 -13.103 -8.546 1.00 0.00 C ATOM 1316 O THR A 83 2.816 -12.739 -9.665 1.00 0.00 O ATOM 1317 CB THR A 83 1.377 -15.293 -8.959 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.871 -16.372 -8.185 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.918 -15.824 -10.286 1.00 0.00 C ATOM 0 H THR A 83 1.453 -15.312 -6.483 1.00 0.00 H new ATOM 0 HA THR A 83 3.452 -15.045 -8.462 1.00 0.00 H new ATOM 0 HB THR A 83 0.576 -14.581 -9.156 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.151 -16.818 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.117 -16.321 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.303 -14.995 -10.880 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.721 -16.535 -10.093 1.00 0.00 H new ATOM 1327 N GLY A 84 2.206 -12.223 -7.615 1.00 0.00 N ATOM 1328 CA GLY A 84 2.227 -10.775 -7.960 1.00 0.00 C ATOM 1329 C GLY A 84 3.302 -10.058 -7.148 1.00 0.00 C ATOM 1330 O GLY A 84 3.646 -10.468 -6.061 1.00 0.00 O ATOM 0 H GLY A 84 1.944 -12.446 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.421 -10.650 -9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.252 -10.331 -7.759 1.00 0.00 H new ATOM 1334 N TYR A 85 3.815 -8.981 -7.679 1.00 0.00 N ATOM 1335 CA TYR A 85 4.860 -8.190 -6.971 1.00 0.00 C ATOM 1336 C TYR A 85 5.429 -7.167 -7.957 1.00 0.00 C ATOM 1337 O TYR A 85 5.895 -7.521 -9.021 1.00 0.00 O ATOM 1338 CB TYR A 85 5.991 -9.102 -6.478 1.00 0.00 C ATOM 1339 CG TYR A 85 6.705 -9.720 -7.657 1.00 0.00 C ATOM 1340 CD1 TYR A 85 7.796 -9.061 -8.236 1.00 0.00 C ATOM 1341 CD2 TYR A 85 6.279 -10.953 -8.169 1.00 0.00 C ATOM 1342 CE1 TYR A 85 8.463 -9.633 -9.325 1.00 0.00 C ATOM 1343 CE2 TYR A 85 6.947 -11.525 -9.259 1.00 0.00 C ATOM 1344 CZ TYR A 85 8.038 -10.864 -9.837 1.00 0.00 C ATOM 1345 OH TYR A 85 8.696 -11.430 -10.910 1.00 0.00 O ATOM 0 H TYR A 85 3.548 -8.610 -8.591 1.00 0.00 H new ATOM 0 HA TYR A 85 4.419 -7.695 -6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.695 -8.529 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.585 -9.884 -5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.123 -8.110 -7.842 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.437 -11.461 -7.724 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.305 -9.125 -9.770 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.621 -12.476 -9.654 1.00 0.00 H new ATOM 0 HH TYR A 85 8.274 -12.284 -11.139 1.00 0.00 H new ATOM 1355 N GLN A 86 5.386 -5.901 -7.635 1.00 0.00 N ATOM 1356 CA GLN A 86 5.923 -4.893 -8.600 1.00 0.00 C ATOM 1357 C GLN A 86 6.258 -3.576 -7.893 1.00 0.00 C ATOM 1358 O GLN A 86 5.669 -3.228 -6.888 1.00 0.00 O ATOM 1359 CB GLN A 86 4.879 -4.632 -9.688 1.00 0.00 C ATOM 1360 CG GLN A 86 5.439 -5.062 -11.046 1.00 0.00 C ATOM 1361 CD GLN A 86 6.721 -4.284 -11.339 1.00 0.00 C ATOM 1362 OE1 GLN A 86 7.784 -4.861 -11.455 1.00 0.00 O ATOM 1363 NE2 GLN A 86 6.668 -2.986 -11.466 1.00 0.00 N ATOM 0 H GLN A 86 5.011 -5.525 -6.764 1.00 0.00 H new ATOM 0 HA GLN A 86 6.838 -5.289 -9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.964 -5.183 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.617 -3.574 -9.709 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.643 -6.133 -11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.703 -4.879 -11.829 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.776 -2.500 -11.369 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.518 -2.458 -11.662 1.00 0.00 H new ATOM 1372 N VAL A 87 7.197 -2.835 -8.435 1.00 0.00 N ATOM 1373 CA VAL A 87 7.591 -1.530 -7.832 1.00 0.00 C ATOM 1374 C VAL A 87 6.743 -0.419 -8.459 1.00 0.00 C ATOM 1375 O VAL A 87 5.621 -0.649 -8.841 1.00 0.00 O ATOM 1376 CB VAL A 87 9.081 -1.279 -8.091 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.289 -0.782 -9.524 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.597 -0.229 -7.107 1.00 0.00 C ATOM 0 H VAL A 87 7.710 -3.086 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 87 7.422 -1.545 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 87 9.629 -2.211 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.351 -0.607 -9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.926 -1.533 -10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.739 0.148 -9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.656 -0.049 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.043 0.700 -7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.460 -0.588 -6.087 1.00 0.00 H new ATOM 1388 N ASP A 88 7.248 0.779 -8.568 1.00 0.00 N ATOM 1389 CA ASP A 88 6.419 1.853 -9.157 1.00 0.00 C ATOM 1390 C ASP A 88 7.186 2.603 -10.255 1.00 0.00 C ATOM 1391 O ASP A 88 7.910 2.008 -11.029 1.00 0.00 O ATOM 1392 CB ASP A 88 5.998 2.820 -8.046 1.00 0.00 C ATOM 1393 CG ASP A 88 7.177 3.719 -7.670 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.297 3.364 -8.002 1.00 0.00 O ATOM 1395 OD2 ASP A 88 6.941 4.747 -7.056 1.00 0.00 O ATOM 0 H ASP A 88 8.187 1.053 -8.277 1.00 0.00 H new ATOM 0 HA ASP A 88 5.535 1.410 -9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.157 3.428 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.661 2.261 -7.173 1.00 0.00 H new ATOM 1400 N LYS A 89 6.991 3.900 -10.343 1.00 0.00 N ATOM 1401 CA LYS A 89 7.657 4.723 -11.396 1.00 0.00 C ATOM 1402 C LYS A 89 6.736 4.758 -12.613 1.00 0.00 C ATOM 1403 O LYS A 89 6.187 5.784 -12.957 1.00 0.00 O ATOM 1404 CB LYS A 89 9.015 4.128 -11.785 1.00 0.00 C ATOM 1405 CG LYS A 89 10.011 5.261 -12.033 1.00 0.00 C ATOM 1406 CD LYS A 89 10.675 5.074 -13.398 1.00 0.00 C ATOM 1407 CE LYS A 89 11.819 6.077 -13.549 1.00 0.00 C ATOM 1408 NZ LYS A 89 13.106 5.343 -13.710 1.00 0.00 N ATOM 0 H LYS A 89 6.386 4.429 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 89 7.836 5.729 -11.016 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.379 3.475 -10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.913 3.515 -12.681 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.499 6.223 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.767 5.272 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.054 4.057 -13.494 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.943 5.218 -14.193 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.643 6.718 -14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.865 6.726 -12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.884 6.025 -13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.274 4.749 -12.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.059 4.741 -14.557 1.00 0.00 H new ATOM 1422 N ASN A 90 6.542 3.635 -13.245 1.00 0.00 N ATOM 1423 CA ASN A 90 5.634 3.583 -14.424 1.00 0.00 C ATOM 1424 C ASN A 90 5.680 2.181 -15.023 1.00 0.00 C ATOM 1425 O ASN A 90 5.600 2.000 -16.222 1.00 0.00 O ATOM 1426 CB ASN A 90 6.070 4.609 -15.478 1.00 0.00 C ATOM 1427 CG ASN A 90 7.322 4.110 -16.203 1.00 0.00 C ATOM 1428 OD1 ASN A 90 8.411 3.881 -15.519 1.00 0.00 O flip ATOM 1429 ND2 ASN A 90 7.310 3.924 -17.403 1.00 0.00 N flip ATOM 0 H ASN A 90 6.976 2.746 -12.994 1.00 0.00 H new ATOM 0 HA ASN A 90 4.618 3.820 -14.108 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.265 4.772 -16.194 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.273 5.569 -15.002 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.460 4.102 -17.938 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.150 3.589 -17.876 1.00 0.00 H new ATOM 1436 N LYS A 91 5.801 1.188 -14.191 1.00 0.00 N ATOM 1437 CA LYS A 91 5.845 -0.207 -14.701 1.00 0.00 C ATOM 1438 C LYS A 91 4.483 -0.851 -14.494 1.00 0.00 C ATOM 1439 O LYS A 91 3.893 -1.383 -15.413 1.00 0.00 O ATOM 1440 CB LYS A 91 6.915 -1.001 -13.950 1.00 0.00 C ATOM 1441 CG LYS A 91 8.295 -0.661 -14.516 1.00 0.00 C ATOM 1442 CD LYS A 91 8.875 0.540 -13.767 1.00 0.00 C ATOM 1443 CE LYS A 91 10.402 0.483 -13.828 1.00 0.00 C ATOM 1444 NZ LYS A 91 10.894 -0.580 -12.907 1.00 0.00 N ATOM 0 H LYS A 91 5.871 1.283 -13.178 1.00 0.00 H new ATOM 0 HA LYS A 91 6.092 -0.203 -15.763 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.878 -0.765 -12.886 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.724 -2.070 -14.046 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.960 -1.519 -14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.218 -0.436 -15.580 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.516 1.468 -14.211 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.540 0.533 -12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.729 0.277 -14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.825 1.448 -13.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.874 -0.372 -12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.293 -0.610 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.859 -1.501 -13.389 1.00 0.00 H new ATOM 1458 N ASP A 92 3.960 -0.790 -13.302 1.00 0.00 N ATOM 1459 CA ASP A 92 2.620 -1.386 -13.070 1.00 0.00 C ATOM 1460 C ASP A 92 1.560 -0.312 -13.318 1.00 0.00 C ATOM 1461 O ASP A 92 0.461 -0.378 -12.808 1.00 0.00 O ATOM 1462 CB ASP A 92 2.521 -1.896 -11.635 1.00 0.00 C ATOM 1463 CG ASP A 92 2.084 -3.362 -11.653 1.00 0.00 C ATOM 1464 OD1 ASP A 92 1.012 -3.634 -12.173 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.825 -4.188 -11.150 1.00 0.00 O ATOM 0 H ASP A 92 4.398 -0.358 -12.488 1.00 0.00 H new ATOM 0 HA ASP A 92 2.463 -2.225 -13.748 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.484 -1.797 -11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.805 -1.297 -11.072 1.00 0.00 H new ATOM 1470 N ASP A 93 1.888 0.681 -14.105 1.00 0.00 N ATOM 1471 CA ASP A 93 0.904 1.762 -14.390 1.00 0.00 C ATOM 1472 C ASP A 93 -0.341 1.160 -15.044 1.00 0.00 C ATOM 1473 O ASP A 93 -0.401 0.989 -16.246 1.00 0.00 O ATOM 1474 CB ASP A 93 1.535 2.788 -15.335 1.00 0.00 C ATOM 1475 CG ASP A 93 0.610 4.000 -15.466 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.445 3.985 -14.856 1.00 0.00 O ATOM 1477 OD2 ASP A 93 0.975 4.922 -16.178 1.00 0.00 O ATOM 0 H ASP A 93 2.794 0.788 -14.561 1.00 0.00 H new ATOM 0 HA ASP A 93 0.621 2.252 -13.458 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.507 3.099 -14.954 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.705 2.340 -16.314 1.00 0.00 H new