USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 870 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 89 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 91 MET CE :methyl 145:sc= -3.72! (180deg=-5.71!) USER MOD Set 2.1: A 14 GLN : amide:sc= 0.201 K(o=0.55,f=-2.2!) USER MOD Set 2.2: A 45 THR OG1 : rot -152:sc= 0.35 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= -0.54 (180deg=-1.68!) USER MOD Single : A 20 SER OG : rot 73:sc= 1.12 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.13 K(o=-4.1,f=-3.4!) USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= 0.474 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -4:sc= 0.429 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -115:sc= -0.623 (180deg=-2.49!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.246 K(o=-0.25,f=-1.4) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.223 USER MOD Single : A 92 TYR OH : rot 180:sc= 0.0206 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00231) USER MOD Single : A 97 ASN : amide:sc= -0.0895 K(o=-0.089,f=0.85) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 107 GLN : amide:sc=-0.000669 K(o=-0.00067,f=-2!) USER MOD Single : A 108 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=-0.53) USER MOD Single : A 111 LYS NZ :NH3+ -159:sc= -0.0337 (180deg=-0.339) USER MOD Single : A 112 SER OG : rot -96:sc= 0.776 USER MOD Single : A 114 TYR OH : rot 15:sc= -0.104 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 9.843 24.141 -1.494 1.00 0.00 N ATOM 110 CA GLU A 12 9.007 23.210 -2.242 1.00 0.00 C ATOM 111 C GLU A 12 7.593 23.168 -1.669 1.00 0.00 C ATOM 112 O GLU A 12 7.350 23.627 -0.553 1.00 0.00 O ATOM 113 CB GLU A 12 9.620 21.808 -2.219 1.00 0.00 C ATOM 114 CG GLU A 12 9.497 21.112 -0.874 1.00 0.00 C ATOM 115 CD GLU A 12 9.926 19.658 -0.928 1.00 0.00 C ATOM 116 OE1 GLU A 12 11.122 19.403 -1.184 1.00 0.00 O ATOM 117 OE2 GLU A 12 9.067 18.777 -0.716 1.00 0.00 O ATOM 0 HA GLU A 12 8.953 23.558 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.136 21.197 -2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.674 21.877 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.105 21.639 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.463 21.170 -0.532 1.00 0.00 H new ATOM 124 N ARG A 13 6.664 22.615 -2.442 1.00 0.00 N ATOM 125 CA ARG A 13 5.274 22.514 -2.014 1.00 0.00 C ATOM 126 C ARG A 13 5.159 21.697 -0.730 1.00 0.00 C ATOM 127 O ARG A 13 6.137 21.113 -0.266 1.00 0.00 O ATOM 128 CB ARG A 13 4.424 21.878 -3.115 1.00 0.00 C ATOM 129 CG ARG A 13 4.052 22.841 -4.230 1.00 0.00 C ATOM 130 CD ARG A 13 2.849 23.692 -3.853 1.00 0.00 C ATOM 131 NE ARG A 13 2.821 24.955 -4.587 1.00 0.00 N ATOM 132 CZ ARG A 13 3.478 26.043 -4.203 1.00 0.00 C ATOM 133 NH1 ARG A 13 4.212 26.024 -3.099 1.00 0.00 N ATOM 134 NH2 ARG A 13 3.403 27.154 -4.925 1.00 0.00 N ATOM 0 H ARG A 13 6.849 22.230 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 13 4.906 23.521 -1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.968 21.035 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.512 21.478 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.901 23.487 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.832 22.280 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.934 23.135 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.870 23.895 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 13 2.266 25.004 -5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.273 25.172 -2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.715 26.862 -2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.840 27.172 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.908 27.989 -4.629 1.00 0.00 H new ATOM 148 N GLN A 14 3.957 21.661 -0.164 1.00 0.00 N ATOM 149 CA GLN A 14 3.715 20.917 1.066 1.00 0.00 C ATOM 150 C GLN A 14 3.092 19.557 0.766 1.00 0.00 C ATOM 151 O GLN A 14 1.872 19.430 0.664 1.00 0.00 O ATOM 152 CB GLN A 14 2.801 21.714 1.999 1.00 0.00 C ATOM 153 CG GLN A 14 3.417 23.015 2.488 1.00 0.00 C ATOM 154 CD GLN A 14 2.375 24.030 2.916 1.00 0.00 C ATOM 155 OE1 GLN A 14 1.189 23.880 2.622 1.00 0.00 O ATOM 156 NE2 GLN A 14 2.814 25.071 3.614 1.00 0.00 N ATOM 0 H GLN A 14 3.136 22.138 -0.537 1.00 0.00 H new ATOM 0 HA GLN A 14 4.674 20.757 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.869 21.936 1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.546 21.096 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.081 22.805 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.031 23.442 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.806 25.155 3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.159 25.787 3.929 1.00 0.00 H new ATOM 165 N LEU A 15 3.939 18.543 0.626 1.00 0.00 N ATOM 166 CA LEU A 15 3.472 17.191 0.337 1.00 0.00 C ATOM 167 C LEU A 15 2.391 16.765 1.325 1.00 0.00 C ATOM 168 O LEU A 15 2.627 16.709 2.532 1.00 0.00 O ATOM 169 CB LEU A 15 4.641 16.206 0.385 1.00 0.00 C ATOM 170 CG LEU A 15 4.271 14.735 0.583 1.00 0.00 C ATOM 171 CD1 LEU A 15 3.269 14.291 -0.470 1.00 0.00 C ATOM 172 CD2 LEU A 15 5.517 13.862 0.540 1.00 0.00 C ATOM 0 H LEU A 15 4.952 18.631 0.708 1.00 0.00 H new ATOM 0 HA LEU A 15 3.043 17.187 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.205 16.296 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.308 16.504 1.193 1.00 0.00 H new ATOM 0 HG LEU A 15 3.808 14.624 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.017 13.242 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.366 14.896 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.704 14.416 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.235 12.819 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.008 13.976 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.201 14.165 1.333 1.00 0.00 H new ATOM 184 N SER A 16 1.206 16.464 0.804 1.00 0.00 N ATOM 185 CA SER A 16 0.088 16.044 1.641 1.00 0.00 C ATOM 186 C SER A 16 -0.363 14.633 1.277 1.00 0.00 C ATOM 187 O SER A 16 -0.707 14.340 0.132 1.00 0.00 O ATOM 188 CB SER A 16 -1.081 17.020 1.494 1.00 0.00 C ATOM 189 OG SER A 16 -1.858 17.067 2.678 1.00 0.00 O ATOM 0 H SER A 16 0.995 16.503 -0.193 1.00 0.00 H new ATOM 0 HA SER A 16 0.423 16.043 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.701 18.016 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.708 16.717 0.655 1.00 0.00 H new ATOM 0 HG SER A 16 -2.598 17.699 2.559 1.00 0.00 H new ATOM 195 N PRO A 17 -0.362 13.737 2.275 1.00 0.00 N ATOM 196 CA PRO A 17 -0.769 12.341 2.085 1.00 0.00 C ATOM 197 C PRO A 17 -2.266 12.203 1.832 1.00 0.00 C ATOM 198 O PRO A 17 -2.684 11.556 0.872 1.00 0.00 O ATOM 199 CB PRO A 17 -0.388 11.678 3.411 1.00 0.00 C ATOM 200 CG PRO A 17 -0.403 12.785 4.407 1.00 0.00 C ATOM 201 CD PRO A 17 0.036 14.016 3.665 1.00 0.00 C ATOM 0 HA PRO A 17 -0.291 11.892 1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.097 10.894 3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.596 11.212 3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.400 12.918 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.268 12.571 5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.451 14.912 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.111 14.175 3.751 1.00 0.00 H new ATOM 209 N GLU A 18 -3.067 12.816 2.698 1.00 0.00 N ATOM 210 CA GLU A 18 -4.518 12.760 2.566 1.00 0.00 C ATOM 211 C GLU A 18 -4.946 13.042 1.128 1.00 0.00 C ATOM 212 O GLU A 18 -5.779 12.332 0.565 1.00 0.00 O ATOM 213 CB GLU A 18 -5.178 13.765 3.512 1.00 0.00 C ATOM 214 CG GLU A 18 -4.458 13.912 4.842 1.00 0.00 C ATOM 215 CD GLU A 18 -4.100 12.575 5.463 1.00 0.00 C ATOM 216 OE1 GLU A 18 -4.839 11.596 5.227 1.00 0.00 O ATOM 217 OE2 GLU A 18 -3.083 12.508 6.184 1.00 0.00 O ATOM 0 H GLU A 18 -2.736 13.356 3.497 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.842 11.754 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.221 14.738 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.207 13.455 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.549 14.496 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.089 14.472 5.532 1.00 0.00 H new ATOM 224 N LYS A 19 -4.369 14.084 0.540 1.00 0.00 N ATOM 225 CA LYS A 19 -4.688 14.462 -0.832 1.00 0.00 C ATOM 226 C LYS A 19 -4.296 13.356 -1.806 1.00 0.00 C ATOM 227 O LYS A 19 -5.113 12.906 -2.609 1.00 0.00 O ATOM 228 CB LYS A 19 -3.970 15.762 -1.204 1.00 0.00 C ATOM 229 CG LYS A 19 -4.251 16.907 -0.247 1.00 0.00 C ATOM 230 CD LYS A 19 -5.460 17.717 -0.685 1.00 0.00 C ATOM 231 CE LYS A 19 -6.761 17.018 -0.318 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.713 16.443 1.055 1.00 0.00 N ATOM 0 H LYS A 19 -3.678 14.682 0.992 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.765 14.616 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.896 15.579 -1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.270 16.058 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.420 16.512 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.378 17.557 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.429 18.701 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.422 17.876 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.586 17.727 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.962 16.224 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.656 16.503 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.418 15.447 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.032 16.977 1.631 1.00 0.00 H new ATOM 246 N SER A 20 -3.042 12.921 -1.728 1.00 0.00 N ATOM 247 CA SER A 20 -2.542 11.869 -2.604 1.00 0.00 C ATOM 248 C SER A 20 -3.631 10.840 -2.894 1.00 0.00 C ATOM 249 O SER A 20 -4.285 10.339 -1.979 1.00 0.00 O ATOM 250 CB SER A 20 -1.331 11.182 -1.972 1.00 0.00 C ATOM 251 OG SER A 20 -0.262 12.095 -1.793 1.00 0.00 O ATOM 0 H SER A 20 -2.354 13.281 -1.067 1.00 0.00 H new ATOM 0 HA SER A 20 -2.240 12.328 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.613 10.754 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.006 10.356 -2.605 1.00 0.00 H new ATOM 0 HG SER A 20 -0.473 12.705 -1.055 1.00 0.00 H new ATOM 257 N GLU A 21 -3.818 10.530 -4.173 1.00 0.00 N ATOM 258 CA GLU A 21 -4.828 9.561 -4.583 1.00 0.00 C ATOM 259 C GLU A 21 -4.188 8.219 -4.926 1.00 0.00 C ATOM 260 O GLU A 21 -3.169 8.164 -5.616 1.00 0.00 O ATOM 261 CB GLU A 21 -5.612 10.087 -5.788 1.00 0.00 C ATOM 262 CG GLU A 21 -4.755 10.850 -6.785 1.00 0.00 C ATOM 263 CD GLU A 21 -5.458 11.068 -8.111 1.00 0.00 C ATOM 264 OE1 GLU A 21 -6.443 10.351 -8.384 1.00 0.00 O ATOM 265 OE2 GLU A 21 -5.023 11.955 -8.875 1.00 0.00 O ATOM 0 H GLU A 21 -3.284 10.935 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.513 9.414 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.086 9.248 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.411 10.739 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.482 11.816 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.828 10.303 -6.955 1.00 0.00 H new ATOM 272 N ILE A 22 -4.791 7.141 -4.438 1.00 0.00 N ATOM 273 CA ILE A 22 -4.281 5.800 -4.692 1.00 0.00 C ATOM 274 C ILE A 22 -5.232 5.009 -5.584 1.00 0.00 C ATOM 275 O ILE A 22 -6.286 4.557 -5.136 1.00 0.00 O ATOM 276 CB ILE A 22 -4.059 5.023 -3.381 1.00 0.00 C ATOM 277 CG1 ILE A 22 -3.026 5.738 -2.508 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.615 3.599 -3.677 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.725 5.016 -1.213 1.00 0.00 C ATOM 0 H ILE A 22 -5.634 7.170 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.324 5.919 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.002 4.982 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.101 5.853 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.387 6.741 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.462 3.063 -2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.382 3.093 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.682 3.618 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.985 5.580 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.639 4.924 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.334 4.023 -1.433 1.00 0.00 H new ATOM 291 N TRP A 23 -4.853 4.844 -6.846 1.00 0.00 N ATOM 292 CA TRP A 23 -5.672 4.106 -7.800 1.00 0.00 C ATOM 293 C TRP A 23 -4.920 2.896 -8.342 1.00 0.00 C ATOM 294 O TRP A 23 -3.691 2.849 -8.303 1.00 0.00 O ATOM 295 CB TRP A 23 -6.095 5.018 -8.953 1.00 0.00 C ATOM 296 CG TRP A 23 -4.972 5.352 -9.888 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.600 4.657 -11.003 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.075 6.463 -9.788 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.526 5.269 -11.602 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.185 6.380 -10.876 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.939 7.522 -8.885 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.174 7.314 -11.084 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.934 8.448 -9.093 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.063 8.340 -10.185 1.00 0.00 C ATOM 0 H TRP A 23 -3.983 5.211 -7.232 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.562 3.753 -7.280 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -6.895 4.535 -9.515 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.505 5.942 -8.545 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.080 3.758 -11.361 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.058 4.948 -12.450 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.607 7.615 -8.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.501 7.232 -11.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.818 9.269 -8.401 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.289 9.081 -10.320 1.00 0.00 H new ATOM 315 N GLY A 24 -5.665 1.918 -8.847 1.00 0.00 N ATOM 316 CA GLY A 24 -5.050 0.720 -9.389 1.00 0.00 C ATOM 317 C GLY A 24 -6.027 -0.433 -9.502 1.00 0.00 C ATOM 318 O GLY A 24 -7.124 -0.402 -8.944 1.00 0.00 O ATOM 0 H GLY A 24 -6.684 1.934 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.638 0.941 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.216 0.424 -8.753 1.00 0.00 H new ATOM 322 N PRO A 25 -5.630 -1.480 -10.241 1.00 0.00 N ATOM 323 CA PRO A 25 -6.464 -2.668 -10.444 1.00 0.00 C ATOM 324 C PRO A 25 -6.612 -3.496 -9.172 1.00 0.00 C ATOM 325 O PRO A 25 -7.249 -4.549 -9.176 1.00 0.00 O ATOM 326 CB PRO A 25 -5.703 -3.458 -11.511 1.00 0.00 C ATOM 327 CG PRO A 25 -4.286 -3.024 -11.365 1.00 0.00 C ATOM 328 CD PRO A 25 -4.335 -1.584 -10.935 1.00 0.00 C ATOM 0 HA PRO A 25 -7.482 -2.407 -10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.806 -4.532 -11.357 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.082 -3.242 -12.510 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.765 -3.634 -10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.746 -3.132 -12.306 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.504 -1.333 -10.276 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.281 -0.908 -11.788 1.00 0.00 H new ATOM 336 N GLY A 26 -6.019 -3.014 -8.084 1.00 0.00 N ATOM 337 CA GLY A 26 -6.097 -3.723 -6.821 1.00 0.00 C ATOM 338 C GLY A 26 -7.419 -3.502 -6.112 1.00 0.00 C ATOM 339 O GLY A 26 -8.062 -4.455 -5.669 1.00 0.00 O ATOM 0 H GLY A 26 -5.486 -2.145 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.957 -4.789 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.282 -3.397 -6.174 1.00 0.00 H new ATOM 343 N LEU A 27 -7.827 -2.242 -6.004 1.00 0.00 N ATOM 344 CA LEU A 27 -9.081 -1.898 -5.343 1.00 0.00 C ATOM 345 C LEU A 27 -10.267 -2.118 -6.277 1.00 0.00 C ATOM 346 O LEU A 27 -11.179 -1.294 -6.344 1.00 0.00 O ATOM 347 CB LEU A 27 -9.051 -0.443 -4.873 1.00 0.00 C ATOM 348 CG LEU A 27 -7.828 -0.027 -4.054 1.00 0.00 C ATOM 349 CD1 LEU A 27 -7.558 1.461 -4.215 1.00 0.00 C ATOM 350 CD2 LEU A 27 -8.024 -0.380 -2.587 1.00 0.00 C ATOM 0 H LEU A 27 -7.308 -1.442 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.197 -2.550 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.113 0.202 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.944 -0.257 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.962 -0.574 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.684 1.738 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.373 1.686 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.423 2.027 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.144 -0.077 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.901 0.140 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.167 -1.456 -2.488 1.00 0.00 H new ATOM 362 N LYS A 28 -10.249 -3.237 -6.994 1.00 0.00 N ATOM 363 CA LYS A 28 -11.324 -3.568 -7.921 1.00 0.00 C ATOM 364 C LYS A 28 -12.017 -4.864 -7.511 1.00 0.00 C ATOM 365 O LYS A 28 -11.586 -5.540 -6.577 1.00 0.00 O ATOM 366 CB LYS A 28 -10.776 -3.699 -9.344 1.00 0.00 C ATOM 367 CG LYS A 28 -9.891 -2.538 -9.764 1.00 0.00 C ATOM 368 CD LYS A 28 -9.928 -2.325 -11.268 1.00 0.00 C ATOM 369 CE LYS A 28 -11.262 -1.748 -11.717 1.00 0.00 C ATOM 370 NZ LYS A 28 -11.613 -2.173 -13.100 1.00 0.00 N ATOM 0 H LYS A 28 -9.501 -3.930 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.056 -2.761 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.207 -4.625 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.611 -3.779 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.217 -1.629 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.865 -2.728 -9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.122 -1.652 -11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.751 -3.273 -11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.045 -2.067 -11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.221 -0.660 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.528 -1.759 -13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.879 -1.847 -13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.678 -3.210 -13.139 1.00 0.00 H new ATOM 384 N ALA A 29 -13.090 -5.205 -8.216 1.00 0.00 N ATOM 385 CA ALA A 29 -13.839 -6.422 -7.927 1.00 0.00 C ATOM 386 C ALA A 29 -13.068 -7.660 -8.371 1.00 0.00 C ATOM 387 O ALA A 29 -12.722 -8.514 -7.554 1.00 0.00 O ATOM 388 CB ALA A 29 -15.202 -6.375 -8.602 1.00 0.00 C ATOM 0 H ALA A 29 -13.461 -4.656 -8.992 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.982 -6.484 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.751 -7.290 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.762 -5.516 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.071 -6.285 -9.680 1.00 0.00 H new ATOM 394 N ASP A 30 -12.803 -7.752 -9.669 1.00 0.00 N ATOM 395 CA ASP A 30 -12.072 -8.886 -10.222 1.00 0.00 C ATOM 396 C ASP A 30 -10.586 -8.565 -10.350 1.00 0.00 C ATOM 397 O ASP A 30 -10.118 -8.157 -11.413 1.00 0.00 O ATOM 398 CB ASP A 30 -12.643 -9.271 -11.588 1.00 0.00 C ATOM 399 CG ASP A 30 -11.996 -10.519 -12.155 1.00 0.00 C ATOM 400 OD1 ASP A 30 -10.928 -10.397 -12.790 1.00 0.00 O ATOM 401 OD2 ASP A 30 -12.558 -11.618 -11.964 1.00 0.00 O ATOM 0 H ASP A 30 -13.084 -7.055 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.186 -9.728 -9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.717 -9.431 -11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.502 -8.444 -12.284 1.00 0.00 H new ATOM 406 N VAL A 31 -9.850 -8.751 -9.260 1.00 0.00 N ATOM 407 CA VAL A 31 -8.417 -8.481 -9.249 1.00 0.00 C ATOM 408 C VAL A 31 -7.646 -9.579 -9.975 1.00 0.00 C ATOM 409 O VAL A 31 -8.231 -10.548 -10.457 1.00 0.00 O ATOM 410 CB VAL A 31 -7.880 -8.356 -7.811 1.00 0.00 C ATOM 411 CG1 VAL A 31 -8.504 -7.160 -7.110 1.00 0.00 C ATOM 412 CG2 VAL A 31 -8.140 -9.637 -7.033 1.00 0.00 C ATOM 0 H VAL A 31 -10.222 -9.088 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.269 -7.533 -9.767 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.802 -8.198 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.112 -7.088 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.261 -6.250 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.586 -7.284 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.754 -9.532 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.212 -9.828 -6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.640 -10.470 -7.527 1.00 0.00 H new ATOM 422 N VAL A 32 -6.329 -9.419 -10.048 1.00 0.00 N ATOM 423 CA VAL A 32 -5.476 -10.397 -10.713 1.00 0.00 C ATOM 424 C VAL A 32 -5.474 -11.725 -9.963 1.00 0.00 C ATOM 425 O VAL A 32 -5.850 -11.790 -8.792 1.00 0.00 O ATOM 426 CB VAL A 32 -4.028 -9.888 -10.836 1.00 0.00 C ATOM 427 CG1 VAL A 32 -3.989 -8.566 -11.587 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.394 -9.747 -9.460 1.00 0.00 C ATOM 0 H VAL A 32 -5.829 -8.621 -9.655 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.886 -10.547 -11.712 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.452 -10.619 -11.404 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.958 -8.222 -11.664 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.402 -8.703 -12.587 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.580 -7.824 -11.049 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.371 -9.386 -9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.969 -9.037 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.387 -10.716 -8.962 1.00 0.00 H new ATOM 438 N LEU A 33 -5.048 -12.782 -10.645 1.00 0.00 N ATOM 439 CA LEU A 33 -4.996 -14.110 -10.044 1.00 0.00 C ATOM 440 C LEU A 33 -3.863 -14.203 -9.026 1.00 0.00 C ATOM 441 O LEU A 33 -4.080 -14.460 -7.842 1.00 0.00 O ATOM 442 CB LEU A 33 -4.812 -15.175 -11.126 1.00 0.00 C ATOM 443 CG LEU A 33 -6.092 -15.827 -11.650 1.00 0.00 C ATOM 444 CD1 LEU A 33 -5.790 -16.705 -12.855 1.00 0.00 C ATOM 445 CD2 LEU A 33 -6.766 -16.637 -10.553 1.00 0.00 C ATOM 0 H LEU A 33 -4.734 -12.745 -11.615 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.940 -14.285 -9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.288 -14.722 -11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.165 -15.958 -10.731 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.776 -15.038 -11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.713 -17.160 -13.214 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.353 -16.097 -13.648 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.087 -17.487 -12.568 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.675 -17.094 -10.944 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.088 -17.417 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.019 -15.981 -9.720 1.00 0.00 H new ATOM 457 N PRO A 34 -2.626 -13.987 -9.496 1.00 0.00 N ATOM 458 CA PRO A 34 -1.435 -14.039 -8.643 1.00 0.00 C ATOM 459 C PRO A 34 -1.372 -12.871 -7.664 1.00 0.00 C ATOM 460 O PRO A 34 -1.896 -12.952 -6.553 1.00 0.00 O ATOM 461 CB PRO A 34 -0.278 -13.960 -9.643 1.00 0.00 C ATOM 462 CG PRO A 34 -0.849 -13.262 -10.829 1.00 0.00 C ATOM 463 CD PRO A 34 -2.294 -13.676 -10.896 1.00 0.00 C ATOM 0 HA PRO A 34 -1.419 -14.934 -8.021 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.567 -13.410 -9.228 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.087 -14.953 -9.906 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.757 -12.181 -10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.320 -13.543 -11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.923 -12.878 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.434 -14.541 -11.544 1.00 0.00 H new ATOM 471 N ALA A 35 -0.729 -11.787 -8.083 1.00 0.00 N ATOM 472 CA ALA A 35 -0.601 -10.602 -7.244 1.00 0.00 C ATOM 473 C ALA A 35 -0.910 -9.334 -8.033 1.00 0.00 C ATOM 474 O ALA A 35 -0.737 -9.292 -9.251 1.00 0.00 O ATOM 475 CB ALA A 35 0.797 -10.527 -6.647 1.00 0.00 C ATOM 0 H ALA A 35 -0.288 -11.705 -8.999 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.327 -10.680 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.879 -9.637 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.982 -11.414 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.533 -10.476 -7.449 1.00 0.00 H new ATOM 481 N ARG A 36 -1.370 -8.303 -7.331 1.00 0.00 N ATOM 482 CA ARG A 36 -1.705 -7.035 -7.967 1.00 0.00 C ATOM 483 C ARG A 36 -0.776 -5.924 -7.487 1.00 0.00 C ATOM 484 O ARG A 36 -0.092 -6.067 -6.473 1.00 0.00 O ATOM 485 CB ARG A 36 -3.159 -6.661 -7.673 1.00 0.00 C ATOM 486 CG ARG A 36 -3.379 -6.130 -6.266 1.00 0.00 C ATOM 487 CD ARG A 36 -3.433 -7.258 -5.247 1.00 0.00 C ATOM 488 NE ARG A 36 -4.252 -6.911 -4.089 1.00 0.00 N ATOM 489 CZ ARG A 36 -3.813 -6.183 -3.069 1.00 0.00 C ATOM 490 NH1 ARG A 36 -2.568 -5.726 -3.064 1.00 0.00 N ATOM 491 NH2 ARG A 36 -4.619 -5.909 -2.052 1.00 0.00 N ATOM 0 H ARG A 36 -1.519 -8.321 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.578 -7.152 -9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.484 -5.908 -8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.788 -7.538 -7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.575 -5.441 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.309 -5.562 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.835 -8.154 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.422 -7.497 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.215 -7.246 -4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.945 -5.934 -3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.233 -5.167 -2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.578 -6.258 -2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.280 -5.350 -1.269 1.00 0.00 H new ATOM 505 N TYR A 37 -0.756 -4.817 -8.222 1.00 0.00 N ATOM 506 CA TYR A 37 0.091 -3.683 -7.873 1.00 0.00 C ATOM 507 C TYR A 37 -0.591 -2.365 -8.227 1.00 0.00 C ATOM 508 O TYR A 37 -1.047 -2.171 -9.355 1.00 0.00 O ATOM 509 CB TYR A 37 1.436 -3.784 -8.594 1.00 0.00 C ATOM 510 CG TYR A 37 1.327 -3.679 -10.098 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.195 -2.443 -10.720 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.355 -4.815 -10.898 1.00 0.00 C ATOM 513 CE1 TYR A 37 1.094 -2.342 -12.094 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.256 -4.723 -12.272 1.00 0.00 C ATOM 515 CZ TYR A 37 1.125 -3.485 -12.866 1.00 0.00 C ATOM 516 OH TYR A 37 1.025 -3.390 -14.235 1.00 0.00 O ATOM 0 H TYR A 37 -1.317 -4.681 -9.063 1.00 0.00 H new ATOM 0 HA TYR A 37 0.261 -3.706 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.094 -2.995 -8.230 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.905 -4.734 -8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.171 -1.546 -10.119 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.456 -5.786 -10.437 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.991 -1.374 -12.561 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.281 -5.616 -12.879 1.00 0.00 H new ATOM 0 HH TYR A 37 1.065 -4.286 -14.629 1.00 0.00 H new ATOM 526 N PHE A 38 -0.656 -1.460 -7.256 1.00 0.00 N ATOM 527 CA PHE A 38 -1.282 -0.160 -7.463 1.00 0.00 C ATOM 528 C PHE A 38 -0.234 0.948 -7.508 1.00 0.00 C ATOM 529 O PHE A 38 0.923 0.738 -7.140 1.00 0.00 O ATOM 530 CB PHE A 38 -2.295 0.126 -6.352 1.00 0.00 C ATOM 531 CG PHE A 38 -1.707 0.052 -4.972 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.142 1.173 -4.384 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.719 -1.138 -4.262 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.600 1.107 -3.115 1.00 0.00 C ATOM 535 CE2 PHE A 38 -1.178 -1.209 -2.992 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.619 -0.085 -2.417 1.00 0.00 C ATOM 0 H PHE A 38 -0.283 -1.603 -6.318 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.801 -0.184 -8.421 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.719 1.118 -6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.116 -0.587 -6.427 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.125 2.108 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.156 -2.020 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.161 1.987 -2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.193 -2.143 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.198 -0.138 -1.424 1.00 0.00 H new ATOM 546 N TYR A 39 -0.646 2.126 -7.961 1.00 0.00 N ATOM 547 CA TYR A 39 0.258 3.267 -8.057 1.00 0.00 C ATOM 548 C TYR A 39 0.004 4.259 -6.927 1.00 0.00 C ATOM 549 O TYR A 39 -1.091 4.313 -6.367 1.00 0.00 O ATOM 550 CB TYR A 39 0.093 3.963 -9.409 1.00 0.00 C ATOM 551 CG TYR A 39 0.260 3.036 -10.592 1.00 0.00 C ATOM 552 CD1 TYR A 39 1.462 2.377 -10.818 1.00 0.00 C ATOM 553 CD2 TYR A 39 -0.784 2.819 -11.483 1.00 0.00 C ATOM 554 CE1 TYR A 39 1.620 1.530 -11.898 1.00 0.00 C ATOM 555 CE2 TYR A 39 -0.635 1.973 -12.564 1.00 0.00 C ATOM 556 CZ TYR A 39 0.568 1.331 -12.768 1.00 0.00 C ATOM 557 OH TYR A 39 0.721 0.487 -13.844 1.00 0.00 O ATOM 0 H TYR A 39 -1.600 2.317 -8.268 1.00 0.00 H new ATOM 0 HA TYR A 39 1.280 2.897 -7.969 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.895 4.421 -9.454 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.822 4.770 -9.484 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.287 2.529 -10.138 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.728 3.320 -11.327 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.562 1.027 -12.060 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.457 1.815 -13.247 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.114 0.456 -14.357 1.00 0.00 H new ATOM 567 N ILE A 40 1.025 5.044 -6.597 1.00 0.00 N ATOM 568 CA ILE A 40 0.913 6.037 -5.535 1.00 0.00 C ATOM 569 C ILE A 40 1.372 7.409 -6.016 1.00 0.00 C ATOM 570 O ILE A 40 2.564 7.642 -6.211 1.00 0.00 O ATOM 571 CB ILE A 40 1.740 5.635 -4.300 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.253 4.293 -3.748 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.655 6.715 -3.232 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.244 3.627 -2.818 1.00 0.00 C ATOM 0 H ILE A 40 1.939 5.011 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.140 6.085 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 40 2.783 5.527 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.314 4.447 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.041 3.622 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.245 6.417 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.044 7.652 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.615 6.851 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.833 2.681 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.176 3.441 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.438 4.279 -1.966 1.00 0.00 H new ATOM 586 N GLN A 41 0.417 8.315 -6.202 1.00 0.00 N ATOM 587 CA GLN A 41 0.724 9.665 -6.658 1.00 0.00 C ATOM 588 C GLN A 41 0.825 10.628 -5.479 1.00 0.00 C ATOM 589 O GLN A 41 -0.066 10.683 -4.632 1.00 0.00 O ATOM 590 CB GLN A 41 -0.346 10.151 -7.638 1.00 0.00 C ATOM 591 CG GLN A 41 -0.207 11.617 -8.013 1.00 0.00 C ATOM 592 CD GLN A 41 0.769 11.838 -9.152 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.457 11.572 -10.313 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.960 12.326 -8.825 1.00 0.00 N ATOM 0 H GLN A 41 -0.575 8.138 -6.044 1.00 0.00 H new ATOM 0 HA GLN A 41 1.688 9.639 -7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.298 9.547 -8.544 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.330 9.989 -7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.184 12.010 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.124 12.181 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.176 12.532 -7.850 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.658 12.495 -9.549 1.00 0.00 H new ATOM 603 N ALA A 42 1.916 11.385 -5.432 1.00 0.00 N ATOM 604 CA ALA A 42 2.133 12.347 -4.359 1.00 0.00 C ATOM 605 C ALA A 42 1.426 13.666 -4.652 1.00 0.00 C ATOM 606 O ALA A 42 1.690 14.311 -5.667 1.00 0.00 O ATOM 607 CB ALA A 42 3.622 12.579 -4.150 1.00 0.00 C ATOM 0 H ALA A 42 2.664 11.351 -6.125 1.00 0.00 H new ATOM 0 HA ALA A 42 1.709 11.934 -3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.769 13.300 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.103 11.637 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.062 12.966 -5.069 1.00 0.00 H new ATOM 613 N VAL A 43 0.526 14.062 -3.758 1.00 0.00 N ATOM 614 CA VAL A 43 -0.218 15.305 -3.921 1.00 0.00 C ATOM 615 C VAL A 43 0.072 16.273 -2.780 1.00 0.00 C ATOM 616 O VAL A 43 0.296 15.859 -1.642 1.00 0.00 O ATOM 617 CB VAL A 43 -1.735 15.046 -3.986 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.495 16.356 -4.123 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.066 14.107 -5.136 1.00 0.00 C ATOM 0 H VAL A 43 0.294 13.540 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 43 0.109 15.748 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.044 14.569 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.565 16.153 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.282 16.992 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.184 16.863 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.142 13.935 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.743 14.555 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.551 13.158 -4.990 1.00 0.00 H new ATOM 629 N ASP A 44 0.065 17.565 -3.091 1.00 0.00 N ATOM 630 CA ASP A 44 0.326 18.594 -2.091 1.00 0.00 C ATOM 631 C ASP A 44 -0.970 19.048 -1.428 1.00 0.00 C ATOM 632 O ASP A 44 -2.042 18.503 -1.695 1.00 0.00 O ATOM 633 CB ASP A 44 1.033 19.790 -2.731 1.00 0.00 C ATOM 634 CG ASP A 44 0.640 19.985 -4.183 1.00 0.00 C ATOM 635 OD1 ASP A 44 -0.418 20.599 -4.433 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.391 19.523 -5.068 1.00 0.00 O ATOM 0 H ASP A 44 -0.119 17.924 -4.028 1.00 0.00 H new ATOM 0 HA ASP A 44 0.974 18.166 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.795 20.693 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.112 19.649 -2.665 1.00 0.00 H new ATOM 641 N THR A 45 -0.865 20.049 -0.559 1.00 0.00 N ATOM 642 CA THR A 45 -2.028 20.576 0.144 1.00 0.00 C ATOM 643 C THR A 45 -2.960 21.314 -0.810 1.00 0.00 C ATOM 644 O THR A 45 -4.100 21.624 -0.463 1.00 0.00 O ATOM 645 CB THR A 45 -1.613 21.530 1.280 1.00 0.00 C ATOM 646 OG1 THR A 45 -0.859 22.625 0.748 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.786 20.799 2.326 1.00 0.00 C ATOM 0 H THR A 45 0.014 20.511 -0.325 1.00 0.00 H new ATOM 0 HA THR A 45 -2.553 19.722 0.571 1.00 0.00 H new ATOM 0 HB THR A 45 -2.518 21.909 1.756 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.246 22.964 1.433 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.505 21.493 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.373 19.984 2.750 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.113 20.395 1.861 1.00 0.00 H new ATOM 655 N SER A 46 -2.469 21.592 -2.013 1.00 0.00 N ATOM 656 CA SER A 46 -3.258 22.297 -3.016 1.00 0.00 C ATOM 657 C SER A 46 -3.834 21.321 -4.038 1.00 0.00 C ATOM 658 O SER A 46 -4.300 21.723 -5.104 1.00 0.00 O ATOM 659 CB SER A 46 -2.400 23.347 -3.724 1.00 0.00 C ATOM 660 OG SER A 46 -2.330 24.543 -2.967 1.00 0.00 O ATOM 0 H SER A 46 -1.529 21.340 -2.317 1.00 0.00 H new ATOM 0 HA SER A 46 -4.084 22.795 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.396 22.954 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.818 23.560 -4.708 1.00 0.00 H new ATOM 0 HG SER A 46 -1.775 25.197 -3.440 1.00 0.00 H new ATOM 666 N GLY A 47 -3.798 20.034 -3.705 1.00 0.00 N ATOM 667 CA GLY A 47 -4.318 19.020 -4.603 1.00 0.00 C ATOM 668 C GLY A 47 -3.604 19.009 -5.940 1.00 0.00 C ATOM 669 O GLY A 47 -4.208 18.715 -6.971 1.00 0.00 O ATOM 0 H GLY A 47 -3.418 19.676 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.221 18.040 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.382 19.193 -4.764 1.00 0.00 H new ATOM 673 N ASN A 48 -2.315 19.331 -5.924 1.00 0.00 N ATOM 674 CA ASN A 48 -1.519 19.359 -7.146 1.00 0.00 C ATOM 675 C ASN A 48 -0.588 18.152 -7.216 1.00 0.00 C ATOM 676 O ASN A 48 -0.031 17.724 -6.205 1.00 0.00 O ATOM 677 CB ASN A 48 -0.702 20.651 -7.218 1.00 0.00 C ATOM 678 CG ASN A 48 -1.503 21.866 -6.789 1.00 0.00 C ATOM 679 OD1 ASN A 48 -2.709 21.943 -7.025 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.833 22.822 -6.156 1.00 0.00 N ATOM 0 H ASN A 48 -1.799 19.576 -5.079 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.201 19.320 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.179 20.557 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.345 20.796 -8.238 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.318 23.663 -5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.166 22.715 -5.982 1.00 0.00 H new ATOM 687 N LYS A 49 -0.425 17.607 -8.417 1.00 0.00 N ATOM 688 CA LYS A 49 0.438 16.450 -8.622 1.00 0.00 C ATOM 689 C LYS A 49 1.909 16.848 -8.541 1.00 0.00 C ATOM 690 O LYS A 49 2.334 17.822 -9.163 1.00 0.00 O ATOM 691 CB LYS A 49 0.147 15.804 -9.978 1.00 0.00 C ATOM 692 CG LYS A 49 -1.166 15.042 -10.019 1.00 0.00 C ATOM 693 CD LYS A 49 -1.602 14.759 -11.447 1.00 0.00 C ATOM 694 CE LYS A 49 -2.434 13.489 -11.535 1.00 0.00 C ATOM 695 NZ LYS A 49 -3.820 13.699 -11.032 1.00 0.00 N ATOM 0 H LYS A 49 -0.880 17.949 -9.264 1.00 0.00 H new ATOM 0 HA LYS A 49 0.231 15.729 -7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.132 16.579 -10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.961 15.123 -10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.059 14.102 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.938 15.618 -9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.181 15.601 -11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.723 14.664 -12.085 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.471 13.150 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.954 12.699 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.034 12.993 -10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.902 14.654 -10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.494 13.597 -11.818 1.00 0.00 H new ATOM 709 N PHE A 50 2.682 16.088 -7.773 1.00 0.00 N ATOM 710 CA PHE A 50 4.105 16.361 -7.612 1.00 0.00 C ATOM 711 C PHE A 50 4.873 16.014 -8.884 1.00 0.00 C ATOM 712 O PHE A 50 5.818 16.708 -9.262 1.00 0.00 O ATOM 713 CB PHE A 50 4.668 15.568 -6.431 1.00 0.00 C ATOM 714 CG PHE A 50 4.597 16.306 -5.124 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.373 16.588 -4.539 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.753 16.718 -4.482 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.304 17.266 -3.337 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.690 17.397 -3.280 1.00 0.00 C ATOM 719 CZ PHE A 50 4.464 17.672 -2.707 1.00 0.00 C ATOM 0 H PHE A 50 2.347 15.278 -7.252 1.00 0.00 H new ATOM 0 HA PHE A 50 4.225 17.426 -7.415 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.120 14.630 -6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.707 15.312 -6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.463 16.274 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.715 16.506 -4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.344 17.478 -2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.599 17.712 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.412 18.203 -1.768 1.00 0.00 H new ATOM 729 N THR A 51 4.460 14.935 -9.541 1.00 0.00 N ATOM 730 CA THR A 51 5.109 14.494 -10.770 1.00 0.00 C ATOM 731 C THR A 51 6.621 14.667 -10.686 1.00 0.00 C ATOM 732 O THR A 51 7.293 14.838 -11.703 1.00 0.00 O ATOM 733 CB THR A 51 4.581 15.268 -11.993 1.00 0.00 C ATOM 734 OG1 THR A 51 4.923 16.654 -11.879 1.00 0.00 O ATOM 735 CG2 THR A 51 3.073 15.120 -12.117 1.00 0.00 C ATOM 0 H THR A 51 3.679 14.350 -9.243 1.00 0.00 H new ATOM 0 HA THR A 51 4.874 13.436 -10.890 1.00 0.00 H new ATOM 0 HB THR A 51 5.045 14.852 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.367 16.812 -11.020 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.723 15.675 -12.987 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.819 14.066 -12.232 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.594 15.512 -11.220 1.00 0.00 H new ATOM 743 N SER A 52 7.151 14.621 -9.468 1.00 0.00 N ATOM 744 CA SER A 52 8.584 14.776 -9.251 1.00 0.00 C ATOM 745 C SER A 52 9.149 13.587 -8.480 1.00 0.00 C ATOM 746 O SER A 52 8.412 12.684 -8.083 1.00 0.00 O ATOM 747 CB SER A 52 8.869 16.073 -8.492 1.00 0.00 C ATOM 748 OG SER A 52 10.173 16.553 -8.773 1.00 0.00 O ATOM 0 H SER A 52 6.609 14.478 -8.616 1.00 0.00 H new ATOM 0 HA SER A 52 9.071 14.819 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.133 16.828 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.764 15.902 -7.421 1.00 0.00 H new ATOM 0 HG SER A 52 10.330 17.384 -8.277 1.00 0.00 H new ATOM 754 N SER A 53 10.462 13.594 -8.272 1.00 0.00 N ATOM 755 CA SER A 53 11.127 12.515 -7.551 1.00 0.00 C ATOM 756 C SER A 53 11.422 12.924 -6.111 1.00 0.00 C ATOM 757 O SER A 53 12.390 13.629 -5.825 1.00 0.00 O ATOM 758 CB SER A 53 12.427 12.126 -8.259 1.00 0.00 C ATOM 759 OG SER A 53 13.025 10.998 -7.645 1.00 0.00 O ATOM 0 H SER A 53 11.086 14.335 -8.592 1.00 0.00 H new ATOM 0 HA SER A 53 10.458 11.655 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.222 11.907 -9.307 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.121 12.966 -8.238 1.00 0.00 H new ATOM 0 HG SER A 53 13.853 10.769 -8.117 1.00 0.00 H new ATOM 765 N PRO A 54 10.568 12.471 -5.182 1.00 0.00 N ATOM 766 CA PRO A 54 10.715 12.776 -3.756 1.00 0.00 C ATOM 767 C PRO A 54 11.918 12.074 -3.134 1.00 0.00 C ATOM 768 O PRO A 54 12.733 12.699 -2.458 1.00 0.00 O ATOM 769 CB PRO A 54 9.414 12.250 -3.144 1.00 0.00 C ATOM 770 CG PRO A 54 8.959 11.185 -4.081 1.00 0.00 C ATOM 771 CD PRO A 54 9.393 11.625 -5.452 1.00 0.00 C ATOM 0 HA PRO A 54 10.885 13.839 -3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.580 11.852 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.670 13.042 -3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.401 10.223 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.877 11.061 -4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.647 10.775 -6.085 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.607 12.180 -5.964 1.00 0.00 H new ATOM 779 N GLY A 55 12.021 10.768 -3.367 1.00 0.00 N ATOM 780 CA GLY A 55 13.128 10.003 -2.823 1.00 0.00 C ATOM 781 C GLY A 55 12.985 8.516 -3.078 1.00 0.00 C ATOM 782 O GLY A 55 12.052 8.083 -3.753 1.00 0.00 O ATOM 0 H GLY A 55 11.358 10.227 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.061 10.356 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.195 10.180 -1.750 1.00 0.00 H new ATOM 786 N GLU A 56 13.913 7.732 -2.537 1.00 0.00 N ATOM 787 CA GLU A 56 13.886 6.285 -2.713 1.00 0.00 C ATOM 788 C GLU A 56 12.798 5.652 -1.851 1.00 0.00 C ATOM 789 O GLU A 56 11.855 5.050 -2.364 1.00 0.00 O ATOM 790 CB GLU A 56 15.247 5.681 -2.360 1.00 0.00 C ATOM 791 CG GLU A 56 15.403 4.234 -2.796 1.00 0.00 C ATOM 792 CD GLU A 56 15.788 4.104 -4.257 1.00 0.00 C ATOM 793 OE1 GLU A 56 16.350 5.071 -4.812 1.00 0.00 O ATOM 794 OE2 GLU A 56 15.527 3.034 -4.846 1.00 0.00 O ATOM 0 H GLU A 56 14.692 8.075 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 56 13.664 6.076 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.031 6.278 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.395 5.745 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.162 3.752 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.467 3.703 -2.622 1.00 0.00 H new ATOM 801 N LYS A 57 12.936 5.793 -0.537 1.00 0.00 N ATOM 802 CA LYS A 57 11.965 5.236 0.399 1.00 0.00 C ATOM 803 C LYS A 57 11.190 6.346 1.102 1.00 0.00 C ATOM 804 O LYS A 57 11.627 6.869 2.127 1.00 0.00 O ATOM 805 CB LYS A 57 12.670 4.357 1.434 1.00 0.00 C ATOM 806 CG LYS A 57 13.488 3.233 0.821 1.00 0.00 C ATOM 807 CD LYS A 57 12.596 2.147 0.242 1.00 0.00 C ATOM 808 CE LYS A 57 11.987 1.283 1.336 1.00 0.00 C ATOM 809 NZ LYS A 57 10.685 1.827 1.812 1.00 0.00 N ATOM 0 H LYS A 57 13.711 6.288 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 57 11.260 4.626 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.324 4.981 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.924 3.929 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.130 3.635 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.142 2.802 1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.801 2.604 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.176 1.521 -0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.842 0.270 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.681 1.216 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.773 2.119 2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.419 2.648 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.952 1.094 1.730 1.00 0.00 H new ATOM 823 N VAL A 58 10.035 6.699 0.546 1.00 0.00 N ATOM 824 CA VAL A 58 9.197 7.744 1.122 1.00 0.00 C ATOM 825 C VAL A 58 7.814 7.208 1.472 1.00 0.00 C ATOM 826 O VAL A 58 7.235 7.575 2.495 1.00 0.00 O ATOM 827 CB VAL A 58 9.046 8.936 0.158 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.373 9.660 -0.008 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.512 8.468 -1.187 1.00 0.00 C ATOM 0 H VAL A 58 9.659 6.276 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 58 9.692 8.083 2.032 1.00 0.00 H new ATOM 0 HB VAL A 58 8.328 9.637 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.247 10.499 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.710 10.029 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.115 8.971 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.411 9.323 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.203 7.746 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.538 7.999 -1.048 1.00 0.00 H new ATOM 839 N PHE A 59 7.288 6.338 0.616 1.00 0.00 N ATOM 840 CA PHE A 59 5.971 5.752 0.835 1.00 0.00 C ATOM 841 C PHE A 59 6.084 4.264 1.156 1.00 0.00 C ATOM 842 O PHE A 59 6.917 3.559 0.587 1.00 0.00 O ATOM 843 CB PHE A 59 5.089 5.953 -0.399 1.00 0.00 C ATOM 844 CG PHE A 59 4.553 7.350 -0.532 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.621 7.837 0.369 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.982 8.176 -1.559 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.126 9.122 0.250 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.492 9.462 -1.683 1.00 0.00 C ATOM 849 CZ PHE A 59 3.561 9.935 -0.778 1.00 0.00 C ATOM 0 H PHE A 59 7.753 6.023 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 59 5.514 6.256 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.665 5.707 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.253 5.254 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.277 7.205 1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.708 7.810 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.400 9.490 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.836 10.097 -2.486 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.174 10.939 -0.874 1.00 0.00 H new ATOM 859 N GLN A 60 5.241 3.796 2.070 1.00 0.00 N ATOM 860 CA GLN A 60 5.248 2.394 2.468 1.00 0.00 C ATOM 861 C GLN A 60 3.853 1.789 2.353 1.00 0.00 C ATOM 862 O GLN A 60 2.854 2.507 2.320 1.00 0.00 O ATOM 863 CB GLN A 60 5.762 2.251 3.902 1.00 0.00 C ATOM 864 CG GLN A 60 5.806 0.812 4.392 1.00 0.00 C ATOM 865 CD GLN A 60 6.818 0.604 5.501 1.00 0.00 C ATOM 866 OE1 GLN A 60 6.630 1.072 6.625 1.00 0.00 O ATOM 867 NE2 GLN A 60 7.900 -0.100 5.191 1.00 0.00 N ATOM 0 H GLN A 60 4.545 4.367 2.549 1.00 0.00 H new ATOM 0 HA GLN A 60 5.915 1.855 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.763 2.678 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.125 2.833 4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.817 0.523 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.048 0.155 3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.015 -0.469 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.616 -0.272 5.897 1.00 0.00 H new ATOM 876 N VAL A 61 3.791 0.462 2.291 1.00 0.00 N ATOM 877 CA VAL A 61 2.519 -0.240 2.180 1.00 0.00 C ATOM 878 C VAL A 61 2.480 -1.457 3.097 1.00 0.00 C ATOM 879 O VAL A 61 3.450 -2.210 3.189 1.00 0.00 O ATOM 880 CB VAL A 61 2.252 -0.694 0.732 1.00 0.00 C ATOM 881 CG1 VAL A 61 0.921 -1.423 0.637 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.286 0.497 -0.214 1.00 0.00 C ATOM 0 H VAL A 61 4.608 -0.148 2.316 1.00 0.00 H new ATOM 0 HA VAL A 61 1.743 0.464 2.482 1.00 0.00 H new ATOM 0 HB VAL A 61 3.040 -1.387 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.750 -1.736 -0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.939 -2.300 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.118 -0.757 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.096 0.158 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.521 1.216 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.266 0.971 -0.167 1.00 0.00 H new ATOM 892 N LYS A 62 1.353 -1.645 3.775 1.00 0.00 N ATOM 893 CA LYS A 62 1.186 -2.772 4.685 1.00 0.00 C ATOM 894 C LYS A 62 0.126 -3.738 4.166 1.00 0.00 C ATOM 895 O LYS A 62 -0.933 -3.320 3.698 1.00 0.00 O ATOM 896 CB LYS A 62 0.799 -2.274 6.080 1.00 0.00 C ATOM 897 CG LYS A 62 0.200 -3.353 6.966 1.00 0.00 C ATOM 898 CD LYS A 62 0.061 -2.880 8.403 1.00 0.00 C ATOM 899 CE LYS A 62 0.151 -4.041 9.383 1.00 0.00 C ATOM 900 NZ LYS A 62 1.563 -4.377 9.716 1.00 0.00 N ATOM 0 H LYS A 62 0.541 -1.031 3.711 1.00 0.00 H new ATOM 0 HA LYS A 62 2.136 -3.302 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.683 -1.864 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.083 -1.459 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.778 -3.640 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.829 -4.242 6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.842 -2.153 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.894 -2.370 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.387 -3.788 10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.340 -4.916 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.582 -5.172 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.070 -4.643 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.024 -3.550 10.147 1.00 0.00 H new ATOM 914 N VAL A 63 0.417 -5.032 4.253 1.00 0.00 N ATOM 915 CA VAL A 63 -0.513 -6.057 3.794 1.00 0.00 C ATOM 916 C VAL A 63 -0.767 -7.094 4.882 1.00 0.00 C ATOM 917 O VAL A 63 0.158 -7.758 5.350 1.00 0.00 O ATOM 918 CB VAL A 63 0.015 -6.769 2.535 1.00 0.00 C ATOM 919 CG1 VAL A 63 -0.903 -7.919 2.148 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.160 -5.783 1.386 1.00 0.00 C ATOM 0 H VAL A 63 1.289 -5.395 4.637 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.448 -5.552 3.552 1.00 0.00 H new ATOM 0 HB VAL A 63 1.000 -7.180 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.514 -8.411 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.951 -8.637 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.902 -7.534 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.534 -6.304 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.811 -5.341 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.860 -4.997 1.667 1.00 0.00 H new ATOM 930 N SER A 64 -2.028 -7.228 5.281 1.00 0.00 N ATOM 931 CA SER A 64 -2.405 -8.183 6.316 1.00 0.00 C ATOM 932 C SER A 64 -3.895 -8.504 6.243 1.00 0.00 C ATOM 933 O SER A 64 -4.724 -7.617 6.046 1.00 0.00 O ATOM 934 CB SER A 64 -2.060 -7.629 7.700 1.00 0.00 C ATOM 935 OG SER A 64 -1.876 -8.676 8.637 1.00 0.00 O ATOM 0 H SER A 64 -2.806 -6.687 4.903 1.00 0.00 H new ATOM 0 HA SER A 64 -1.844 -9.102 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.153 -7.028 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.858 -6.968 8.040 1.00 0.00 H new ATOM 0 HG SER A 64 -1.655 -8.296 9.513 1.00 0.00 H new ATOM 941 N ALA A 65 -4.226 -9.782 6.402 1.00 0.00 N ATOM 942 CA ALA A 65 -5.615 -10.222 6.356 1.00 0.00 C ATOM 943 C ALA A 65 -6.247 -10.192 7.743 1.00 0.00 C ATOM 944 O ALA A 65 -5.612 -10.513 8.748 1.00 0.00 O ATOM 945 CB ALA A 65 -5.706 -11.620 5.762 1.00 0.00 C ATOM 0 H ALA A 65 -3.551 -10.530 6.564 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.168 -9.532 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.749 -11.936 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.301 -11.612 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.133 -12.314 6.376 1.00 0.00 H new ATOM 951 N PRO A 66 -7.528 -9.797 7.803 1.00 0.00 N ATOM 952 CA PRO A 66 -8.273 -9.715 9.062 1.00 0.00 C ATOM 953 C PRO A 66 -8.568 -11.091 9.651 1.00 0.00 C ATOM 954 O PRO A 66 -8.661 -11.247 10.868 1.00 0.00 O ATOM 955 CB PRO A 66 -9.574 -9.016 8.660 1.00 0.00 C ATOM 956 CG PRO A 66 -9.737 -9.323 7.212 1.00 0.00 C ATOM 957 CD PRO A 66 -8.346 -9.399 6.645 1.00 0.00 C ATOM 0 HA PRO A 66 -7.712 -9.189 9.834 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.418 -9.387 9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.516 -7.941 8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.268 -10.264 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.320 -8.549 6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.280 -10.128 5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.025 -8.441 6.237 1.00 0.00 H new ATOM 965 N GLU A 67 -8.713 -12.084 8.780 1.00 0.00 N ATOM 966 CA GLU A 67 -8.998 -13.446 9.216 1.00 0.00 C ATOM 967 C GLU A 67 -7.706 -14.223 9.452 1.00 0.00 C ATOM 968 O GLU A 67 -7.539 -14.869 10.486 1.00 0.00 O ATOM 969 CB GLU A 67 -9.858 -14.168 8.176 1.00 0.00 C ATOM 970 CG GLU A 67 -10.438 -15.482 8.673 1.00 0.00 C ATOM 971 CD GLU A 67 -11.063 -15.361 10.049 1.00 0.00 C ATOM 972 OE1 GLU A 67 -12.260 -15.017 10.129 1.00 0.00 O ATOM 973 OE2 GLU A 67 -10.353 -15.610 11.046 1.00 0.00 O ATOM 0 H GLU A 67 -8.638 -11.971 7.769 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.546 -13.392 10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.674 -13.512 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.256 -14.359 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.190 -15.833 7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.650 -16.235 8.701 1.00 0.00 H new ATOM 980 N GLU A 68 -6.796 -14.155 8.485 1.00 0.00 N ATOM 981 CA GLU A 68 -5.520 -14.853 8.587 1.00 0.00 C ATOM 982 C GLU A 68 -4.442 -13.935 9.156 1.00 0.00 C ATOM 983 O GLU A 68 -4.364 -12.759 8.802 1.00 0.00 O ATOM 984 CB GLU A 68 -5.088 -15.376 7.215 1.00 0.00 C ATOM 985 CG GLU A 68 -3.893 -16.312 7.270 1.00 0.00 C ATOM 986 CD GLU A 68 -4.246 -17.678 7.826 1.00 0.00 C ATOM 987 OE1 GLU A 68 -4.975 -18.427 7.144 1.00 0.00 O ATOM 988 OE2 GLU A 68 -3.792 -17.997 8.945 1.00 0.00 O ATOM 0 H GLU A 68 -6.919 -13.624 7.623 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.650 -15.697 9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.927 -15.898 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.847 -14.529 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.480 -16.428 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.113 -15.864 7.886 1.00 0.00 H new ATOM 995 N GLN A 69 -3.613 -14.482 10.040 1.00 0.00 N ATOM 996 CA GLN A 69 -2.541 -13.713 10.659 1.00 0.00 C ATOM 997 C GLN A 69 -1.181 -14.330 10.351 1.00 0.00 C ATOM 998 O GLN A 69 -1.090 -15.346 9.663 1.00 0.00 O ATOM 999 CB GLN A 69 -2.748 -13.635 12.172 1.00 0.00 C ATOM 1000 CG GLN A 69 -2.159 -12.384 12.804 1.00 0.00 C ATOM 1001 CD GLN A 69 -2.908 -11.950 14.049 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -3.250 -12.772 14.899 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -3.166 -10.653 14.162 1.00 0.00 N ATOM 0 H GLN A 69 -3.664 -15.455 10.343 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.565 -12.705 10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.816 -13.672 12.386 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.299 -14.513 12.637 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.115 -12.567 13.058 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.172 -11.573 12.076 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.863 -10.007 13.433 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.667 -10.302 14.978 1.00 0.00 H new ATOM 1012 N PHE A 70 -0.125 -13.709 10.866 1.00 0.00 N ATOM 1013 CA PHE A 70 1.232 -14.196 10.645 1.00 0.00 C ATOM 1014 C PHE A 70 1.542 -14.284 9.154 1.00 0.00 C ATOM 1015 O PHE A 70 1.951 -15.332 8.652 1.00 0.00 O ATOM 1016 CB PHE A 70 1.416 -15.568 11.297 1.00 0.00 C ATOM 1017 CG PHE A 70 2.826 -15.838 11.737 1.00 0.00 C ATOM 1018 CD1 PHE A 70 3.342 -15.227 12.869 1.00 0.00 C ATOM 1019 CD2 PHE A 70 3.637 -16.703 11.019 1.00 0.00 C ATOM 1020 CE1 PHE A 70 4.640 -15.474 13.276 1.00 0.00 C ATOM 1021 CE2 PHE A 70 4.935 -16.953 11.421 1.00 0.00 C ATOM 1022 CZ PHE A 70 5.437 -16.339 12.552 1.00 0.00 C ATOM 0 H PHE A 70 -0.183 -12.867 11.439 1.00 0.00 H new ATOM 0 HA PHE A 70 1.924 -13.488 11.101 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.754 -15.643 12.160 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.110 -16.341 10.592 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.723 -14.550 13.440 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.250 -17.187 10.135 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.030 -14.991 14.159 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.557 -17.628 10.851 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.451 -16.535 12.869 1.00 0.00 H new ATOM 1032 N THR A 71 1.345 -13.174 8.448 1.00 0.00 N ATOM 1033 CA THR A 71 1.601 -13.125 7.014 1.00 0.00 C ATOM 1034 C THR A 71 2.821 -12.265 6.703 1.00 0.00 C ATOM 1035 O THR A 71 2.735 -11.037 6.673 1.00 0.00 O ATOM 1036 CB THR A 71 0.387 -12.571 6.245 1.00 0.00 C ATOM 1037 OG1 THR A 71 0.606 -12.687 4.835 1.00 0.00 O ATOM 1038 CG2 THR A 71 0.136 -11.115 6.606 1.00 0.00 C ATOM 0 H THR A 71 1.009 -12.297 8.847 1.00 0.00 H new ATOM 0 HA THR A 71 1.789 -14.149 6.691 1.00 0.00 H new ATOM 0 HB THR A 71 -0.490 -13.155 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.171 -12.334 4.353 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.726 -10.746 6.050 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.059 -11.034 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.013 -10.521 6.351 1.00 0.00 H new ATOM 1046 N ARG A 72 3.956 -12.917 6.472 1.00 0.00 N ATOM 1047 CA ARG A 72 5.193 -12.210 6.164 1.00 0.00 C ATOM 1048 C ARG A 72 5.168 -11.667 4.738 1.00 0.00 C ATOM 1049 O ARG A 72 5.685 -12.295 3.814 1.00 0.00 O ATOM 1050 CB ARG A 72 6.395 -13.140 6.346 1.00 0.00 C ATOM 1051 CG ARG A 72 7.731 -12.415 6.344 1.00 0.00 C ATOM 1052 CD ARG A 72 8.860 -13.330 5.897 1.00 0.00 C ATOM 1053 NE ARG A 72 10.154 -12.897 6.418 1.00 0.00 N ATOM 1054 CZ ARG A 72 10.485 -12.950 7.703 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.621 -13.416 8.594 1.00 0.00 N ATOM 1056 NH2 ARG A 72 11.682 -12.537 8.099 1.00 0.00 N ATOM 0 H ARG A 72 4.044 -13.933 6.492 1.00 0.00 H new ATOM 0 HA ARG A 72 5.284 -11.370 6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.286 -13.681 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.393 -13.883 5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.677 -11.552 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.942 -12.036 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.656 -14.347 6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.897 -13.354 4.808 1.00 0.00 H new ATOM 0 HE ARG A 72 10.842 -12.534 5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.700 -13.735 8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.877 -13.456 9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.349 -12.178 7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.935 -12.578 9.086 1.00 0.00 H new ATOM 1070 N VAL A 73 4.563 -10.496 4.567 1.00 0.00 N ATOM 1071 CA VAL A 73 4.471 -9.867 3.255 1.00 0.00 C ATOM 1072 C VAL A 73 5.645 -8.925 3.013 1.00 0.00 C ATOM 1073 O VAL A 73 5.809 -7.928 3.715 1.00 0.00 O ATOM 1074 CB VAL A 73 3.156 -9.082 3.100 1.00 0.00 C ATOM 1075 CG1 VAL A 73 3.183 -8.240 1.833 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.967 -10.030 3.094 1.00 0.00 C ATOM 0 H VAL A 73 4.129 -9.964 5.321 1.00 0.00 H new ATOM 0 HA VAL A 73 4.495 -10.669 2.517 1.00 0.00 H new ATOM 0 HB VAL A 73 3.052 -8.410 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.245 -7.692 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.012 -7.534 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.311 -8.890 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.046 -9.458 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.062 -10.728 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.939 -10.585 4.032 1.00 0.00 H new ATOM 1086 N GLY A 74 6.461 -9.248 2.014 1.00 0.00 N ATOM 1087 CA GLY A 74 7.609 -8.420 1.697 1.00 0.00 C ATOM 1088 C GLY A 74 7.344 -7.479 0.538 1.00 0.00 C ATOM 1089 O GLY A 74 7.725 -7.759 -0.599 1.00 0.00 O ATOM 0 H GLY A 74 6.347 -10.068 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.888 -7.839 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.458 -9.059 1.455 1.00 0.00 H new ATOM 1093 N VAL A 75 6.686 -6.360 0.825 1.00 0.00 N ATOM 1094 CA VAL A 75 6.369 -5.375 -0.203 1.00 0.00 C ATOM 1095 C VAL A 75 7.574 -4.493 -0.509 1.00 0.00 C ATOM 1096 O VAL A 75 8.296 -4.077 0.397 1.00 0.00 O ATOM 1097 CB VAL A 75 5.188 -4.482 0.221 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.880 -3.455 -0.858 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.962 -5.330 0.527 1.00 0.00 C ATOM 0 H VAL A 75 6.362 -6.113 1.760 1.00 0.00 H new ATOM 0 HA VAL A 75 6.092 -5.930 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 75 5.467 -3.947 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.043 -2.833 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.756 -2.827 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.620 -3.967 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.137 -4.683 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.678 -5.894 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.191 -6.022 1.337 1.00 0.00 H new ATOM 1109 N GLN A 76 7.784 -4.212 -1.791 1.00 0.00 N ATOM 1110 CA GLN A 76 8.903 -3.379 -2.216 1.00 0.00 C ATOM 1111 C GLN A 76 8.430 -2.265 -3.144 1.00 0.00 C ATOM 1112 O GLN A 76 7.728 -2.515 -4.124 1.00 0.00 O ATOM 1113 CB GLN A 76 9.961 -4.230 -2.920 1.00 0.00 C ATOM 1114 CG GLN A 76 11.254 -3.482 -3.203 1.00 0.00 C ATOM 1115 CD GLN A 76 11.940 -3.002 -1.939 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.672 -3.502 -0.846 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.831 -2.029 -2.082 1.00 0.00 N ATOM 0 H GLN A 76 7.195 -4.548 -2.553 1.00 0.00 H new ATOM 0 HA GLN A 76 9.344 -2.925 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.183 -5.102 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.551 -4.599 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.932 -4.133 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.041 -2.626 -3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.022 -1.644 -3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.325 -1.666 -1.267 1.00 0.00 H new ATOM 1126 N VAL A 77 8.818 -1.034 -2.829 1.00 0.00 N ATOM 1127 CA VAL A 77 8.435 0.119 -3.634 1.00 0.00 C ATOM 1128 C VAL A 77 9.576 0.557 -4.546 1.00 0.00 C ATOM 1129 O VAL A 77 10.667 0.884 -4.079 1.00 0.00 O ATOM 1130 CB VAL A 77 8.015 1.308 -2.749 1.00 0.00 C ATOM 1131 CG1 VAL A 77 6.564 1.164 -2.314 1.00 0.00 C ATOM 1132 CG2 VAL A 77 8.933 1.423 -1.542 1.00 0.00 C ATOM 0 H VAL A 77 9.398 -0.809 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 77 7.585 -0.189 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 77 8.105 2.224 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.285 2.013 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.922 1.134 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.444 0.241 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.622 2.268 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.877 0.507 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.958 1.577 -1.878 1.00 0.00 H new ATOM 1142 N LEU A 78 9.316 0.561 -5.849 1.00 0.00 N ATOM 1143 CA LEU A 78 10.321 0.960 -6.828 1.00 0.00 C ATOM 1144 C LEU A 78 9.800 2.084 -7.717 1.00 0.00 C ATOM 1145 O LEU A 78 8.666 2.037 -8.194 1.00 0.00 O ATOM 1146 CB LEU A 78 10.727 -0.239 -7.688 1.00 0.00 C ATOM 1147 CG LEU A 78 11.786 0.031 -8.758 1.00 0.00 C ATOM 1148 CD1 LEU A 78 12.591 -1.228 -9.041 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.136 0.549 -10.032 1.00 0.00 C ATOM 0 H LEU A 78 8.418 0.293 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 78 11.194 1.325 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.097 -1.025 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.835 -0.628 -8.178 1.00 0.00 H new ATOM 0 HG LEU A 78 12.467 0.796 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.340 -1.017 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.087 -1.556 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.924 -2.015 -9.394 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.904 0.736 -10.782 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.433 -0.193 -10.410 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.605 1.476 -9.818 1.00 0.00 H new ATOM 1161 N ASP A 79 10.636 3.093 -7.936 1.00 0.00 N ATOM 1162 CA ASP A 79 10.261 4.229 -8.771 1.00 0.00 C ATOM 1163 C ASP A 79 10.358 3.871 -10.251 1.00 0.00 C ATOM 1164 O ASP A 79 11.453 3.760 -10.802 1.00 0.00 O ATOM 1165 CB ASP A 79 11.156 5.431 -8.465 1.00 0.00 C ATOM 1166 CG ASP A 79 12.601 5.035 -8.239 1.00 0.00 C ATOM 1167 OD1 ASP A 79 13.080 4.114 -8.933 1.00 0.00 O ATOM 1168 OD2 ASP A 79 13.254 5.646 -7.367 1.00 0.00 O ATOM 0 H ASP A 79 11.577 3.148 -7.547 1.00 0.00 H new ATOM 0 HA ASP A 79 9.227 4.489 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.102 6.140 -9.291 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.780 5.944 -7.580 1.00 0.00 H new ATOM 1173 N ARG A 80 9.205 3.691 -10.887 1.00 0.00 N ATOM 1174 CA ARG A 80 9.160 3.343 -12.302 1.00 0.00 C ATOM 1175 C ARG A 80 9.169 4.598 -13.171 1.00 0.00 C ATOM 1176 O ARG A 80 10.012 4.747 -14.057 1.00 0.00 O ATOM 1177 CB ARG A 80 7.913 2.510 -12.605 1.00 0.00 C ATOM 1178 CG ARG A 80 7.949 1.118 -11.996 1.00 0.00 C ATOM 1179 CD ARG A 80 7.039 0.158 -12.746 1.00 0.00 C ATOM 1180 NE ARG A 80 7.602 -0.235 -14.035 1.00 0.00 N ATOM 1181 CZ ARG A 80 8.475 -1.224 -14.185 1.00 0.00 C ATOM 1182 NH1 ARG A 80 8.883 -1.918 -13.131 1.00 0.00 N ATOM 1183 NH2 ARG A 80 8.942 -1.522 -15.391 1.00 0.00 N ATOM 0 H ARG A 80 8.290 3.780 -10.445 1.00 0.00 H new ATOM 0 HA ARG A 80 10.048 2.754 -12.534 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.035 3.038 -12.233 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.799 2.422 -13.685 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.971 0.739 -12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.644 1.169 -10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.870 -0.731 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.067 0.627 -12.902 1.00 0.00 H new ATOM 0 HE ARG A 80 7.308 0.279 -14.866 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.526 -1.692 -12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.554 -2.677 -13.249 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.630 -0.991 -16.204 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.613 -2.282 -15.505 1.00 0.00 H new ATOM 1197 N LYS A 81 8.226 5.498 -12.912 1.00 0.00 N ATOM 1198 CA LYS A 81 8.125 6.740 -13.668 1.00 0.00 C ATOM 1199 C LYS A 81 8.729 7.903 -12.888 1.00 0.00 C ATOM 1200 O LYS A 81 9.109 7.753 -11.727 1.00 0.00 O ATOM 1201 CB LYS A 81 6.662 7.041 -14.001 1.00 0.00 C ATOM 1202 CG LYS A 81 5.973 5.929 -14.774 1.00 0.00 C ATOM 1203 CD LYS A 81 5.458 4.842 -13.846 1.00 0.00 C ATOM 1204 CE LYS A 81 4.227 4.157 -14.419 1.00 0.00 C ATOM 1205 NZ LYS A 81 4.545 3.381 -15.650 1.00 0.00 N ATOM 0 H LYS A 81 7.520 5.390 -12.183 1.00 0.00 H new ATOM 0 HA LYS A 81 8.685 6.618 -14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.117 7.220 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.612 7.961 -14.583 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.143 6.343 -15.347 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.671 5.496 -15.491 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.242 4.103 -13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.216 5.275 -12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.801 3.490 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.468 4.906 -14.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.680 2.930 -16.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.928 4.021 -16.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.250 2.650 -15.427 1.00 0.00 H new ATOM 1219 N ASP A 82 8.813 9.062 -13.532 1.00 0.00 N ATOM 1220 CA ASP A 82 9.369 10.251 -12.897 1.00 0.00 C ATOM 1221 C ASP A 82 8.300 10.990 -12.098 1.00 0.00 C ATOM 1222 O ASP A 82 8.265 12.219 -12.076 1.00 0.00 O ATOM 1223 CB ASP A 82 9.971 11.183 -13.950 1.00 0.00 C ATOM 1224 CG ASP A 82 8.939 12.110 -14.561 1.00 0.00 C ATOM 1225 OD1 ASP A 82 7.950 11.603 -15.131 1.00 0.00 O ATOM 1226 OD2 ASP A 82 9.120 13.343 -14.470 1.00 0.00 O ATOM 0 H ASP A 82 8.503 9.203 -14.493 1.00 0.00 H new ATOM 0 HA ASP A 82 10.155 9.933 -12.212 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.764 11.777 -13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.431 10.587 -14.738 1.00 0.00 H new ATOM 1231 N GLY A 83 7.428 10.230 -11.442 1.00 0.00 N ATOM 1232 CA GLY A 83 6.369 10.830 -10.651 1.00 0.00 C ATOM 1233 C GLY A 83 5.545 9.797 -9.907 1.00 0.00 C ATOM 1234 O GLY A 83 5.150 10.017 -8.762 1.00 0.00 O ATOM 0 H GLY A 83 7.436 9.210 -11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.805 11.527 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.716 11.410 -11.304 1.00 0.00 H new ATOM 1238 N SER A 84 5.284 8.669 -10.559 1.00 0.00 N ATOM 1239 CA SER A 84 4.497 7.601 -9.954 1.00 0.00 C ATOM 1240 C SER A 84 5.398 6.465 -9.478 1.00 0.00 C ATOM 1241 O SER A 84 6.579 6.410 -9.820 1.00 0.00 O ATOM 1242 CB SER A 84 3.469 7.067 -10.953 1.00 0.00 C ATOM 1243 OG SER A 84 2.417 6.389 -10.289 1.00 0.00 O ATOM 0 H SER A 84 5.606 8.471 -11.506 1.00 0.00 H new ATOM 0 HA SER A 84 3.974 8.013 -9.091 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.062 7.892 -11.537 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.957 6.390 -11.654 1.00 0.00 H new ATOM 0 HG SER A 84 1.772 6.059 -10.949 1.00 0.00 H new ATOM 1249 N PHE A 85 4.831 5.561 -8.686 1.00 0.00 N ATOM 1250 CA PHE A 85 5.582 4.427 -8.161 1.00 0.00 C ATOM 1251 C PHE A 85 4.777 3.136 -8.289 1.00 0.00 C ATOM 1252 O PHE A 85 3.558 3.167 -8.456 1.00 0.00 O ATOM 1253 CB PHE A 85 5.952 4.667 -6.696 1.00 0.00 C ATOM 1254 CG PHE A 85 6.925 5.794 -6.501 1.00 0.00 C ATOM 1255 CD1 PHE A 85 6.541 7.106 -6.731 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.223 5.543 -6.087 1.00 0.00 C ATOM 1257 CE1 PHE A 85 7.435 8.145 -6.553 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.121 6.578 -5.907 1.00 0.00 C ATOM 1259 CZ PHE A 85 8.726 7.881 -6.139 1.00 0.00 C ATOM 0 H PHE A 85 3.854 5.592 -8.394 1.00 0.00 H new ATOM 0 HA PHE A 85 6.495 4.325 -8.747 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.045 4.879 -6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.379 3.753 -6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.532 7.319 -7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.537 4.526 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.124 9.163 -6.738 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.130 6.368 -5.585 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.425 8.692 -5.997 1.00 0.00 H new ATOM 1269 N ILE A 86 5.469 2.005 -8.209 1.00 0.00 N ATOM 1270 CA ILE A 86 4.820 0.704 -8.315 1.00 0.00 C ATOM 1271 C ILE A 86 5.001 -0.107 -7.036 1.00 0.00 C ATOM 1272 O ILE A 86 6.086 -0.138 -6.456 1.00 0.00 O ATOM 1273 CB ILE A 86 5.370 -0.105 -9.505 1.00 0.00 C ATOM 1274 CG1 ILE A 86 4.507 -1.344 -9.750 1.00 0.00 C ATOM 1275 CG2 ILE A 86 6.817 -0.502 -9.251 1.00 0.00 C ATOM 1276 CD1 ILE A 86 4.708 -1.959 -11.117 1.00 0.00 C ATOM 0 H ILE A 86 6.479 1.963 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 86 3.759 0.893 -8.475 1.00 0.00 H new ATOM 0 HB ILE A 86 5.336 0.520 -10.397 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.732 -2.090 -8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.457 -1.075 -9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.192 -1.073 -10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.423 0.395 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.874 -1.112 -8.350 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.065 -2.833 -11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.455 -1.229 -11.885 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.749 -2.260 -11.231 1.00 0.00 H new ATOM 1288 N VAL A 87 3.930 -0.764 -6.602 1.00 0.00 N ATOM 1289 CA VAL A 87 3.970 -1.578 -5.393 1.00 0.00 C ATOM 1290 C VAL A 87 3.796 -3.057 -5.720 1.00 0.00 C ATOM 1291 O VAL A 87 2.744 -3.476 -6.204 1.00 0.00 O ATOM 1292 CB VAL A 87 2.879 -1.152 -4.393 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.011 -1.933 -3.094 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.950 0.345 -4.134 1.00 0.00 C ATOM 0 H VAL A 87 3.024 -0.748 -7.070 1.00 0.00 H new ATOM 0 HA VAL A 87 4.949 -1.422 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 87 1.905 -1.377 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.232 -1.619 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.907 -2.999 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.989 -1.742 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.172 0.629 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.927 0.597 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.802 0.884 -5.070 1.00 0.00 H new ATOM 1304 N ARG A 88 4.833 -3.843 -5.453 1.00 0.00 N ATOM 1305 CA ARG A 88 4.795 -5.276 -5.719 1.00 0.00 C ATOM 1306 C ARG A 88 4.927 -6.074 -4.425 1.00 0.00 C ATOM 1307 O ARG A 88 5.591 -5.641 -3.483 1.00 0.00 O ATOM 1308 CB ARG A 88 5.913 -5.666 -6.688 1.00 0.00 C ATOM 1309 CG ARG A 88 7.298 -5.258 -6.215 1.00 0.00 C ATOM 1310 CD ARG A 88 8.384 -5.823 -7.118 1.00 0.00 C ATOM 1311 NE ARG A 88 8.347 -7.282 -7.170 1.00 0.00 N ATOM 1312 CZ ARG A 88 9.308 -8.022 -7.712 1.00 0.00 C ATOM 1313 NH1 ARG A 88 10.374 -7.443 -8.246 1.00 0.00 N ATOM 1314 NH2 ARG A 88 9.202 -9.345 -7.721 1.00 0.00 N ATOM 0 H ARG A 88 5.711 -3.512 -5.052 1.00 0.00 H new ATOM 0 HA ARG A 88 3.832 -5.510 -6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.893 -6.746 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.719 -5.206 -7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.371 -4.171 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.453 -5.608 -5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.265 -5.421 -8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.360 -5.498 -6.759 1.00 0.00 H new ATOM 0 HE ARG A 88 7.540 -7.759 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.458 -6.426 -8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.110 -8.014 -8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.383 -9.794 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.940 -9.913 -8.137 1.00 0.00 H new ATOM 1328 N TYR A 89 4.290 -7.239 -4.387 1.00 0.00 N ATOM 1329 CA TYR A 89 4.334 -8.095 -3.208 1.00 0.00 C ATOM 1330 C TYR A 89 4.161 -9.561 -3.593 1.00 0.00 C ATOM 1331 O TYR A 89 3.555 -9.879 -4.616 1.00 0.00 O ATOM 1332 CB TYR A 89 3.246 -7.686 -2.214 1.00 0.00 C ATOM 1333 CG TYR A 89 1.928 -8.394 -2.434 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.193 -8.190 -3.596 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.416 -9.264 -1.479 1.00 0.00 C ATOM 1336 CE1 TYR A 89 -0.012 -8.834 -3.801 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.213 -9.913 -1.677 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.498 -9.695 -2.839 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.698 -10.338 -3.038 1.00 0.00 O ATOM 0 H TYR A 89 3.737 -7.612 -5.159 1.00 0.00 H new ATOM 0 HA TYR A 89 5.310 -7.974 -2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.595 -7.891 -1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.087 -6.610 -2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.570 -7.517 -4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.968 -9.436 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.571 -8.664 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.169 -10.588 -0.926 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.838 -10.480 -3.998 1.00 0.00 H new ATOM 1349 N ARG A 90 4.700 -10.451 -2.765 1.00 0.00 N ATOM 1350 CA ARG A 90 4.607 -11.884 -3.018 1.00 0.00 C ATOM 1351 C ARG A 90 3.940 -12.600 -1.847 1.00 0.00 C ATOM 1352 O ARG A 90 4.139 -12.234 -0.689 1.00 0.00 O ATOM 1353 CB ARG A 90 5.998 -12.471 -3.264 1.00 0.00 C ATOM 1354 CG ARG A 90 5.973 -13.905 -3.768 1.00 0.00 C ATOM 1355 CD ARG A 90 5.426 -13.988 -5.184 1.00 0.00 C ATOM 1356 NE ARG A 90 5.355 -15.366 -5.663 1.00 0.00 N ATOM 1357 CZ ARG A 90 4.539 -15.766 -6.632 1.00 0.00 C ATOM 1358 NH1 ARG A 90 3.730 -14.898 -7.223 1.00 0.00 N ATOM 1359 NH2 ARG A 90 4.532 -17.037 -7.012 1.00 0.00 N ATOM 0 H ARG A 90 5.205 -10.205 -1.914 1.00 0.00 H new ATOM 0 HA ARG A 90 3.995 -12.032 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.523 -11.849 -3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.569 -12.431 -2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.981 -14.319 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.360 -14.515 -3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.432 -13.542 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.059 -13.404 -5.852 1.00 0.00 H new ATOM 0 HE ARG A 90 5.965 -16.059 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.733 -13.920 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.105 -15.208 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.153 -17.708 -6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.905 -17.343 -7.756 1.00 0.00 H new ATOM 1373 N MET A 91 3.150 -13.622 -2.157 1.00 0.00 N ATOM 1374 CA MET A 91 2.455 -14.390 -1.131 1.00 0.00 C ATOM 1375 C MET A 91 2.271 -15.840 -1.567 1.00 0.00 C ATOM 1376 O MET A 91 1.768 -16.110 -2.658 1.00 0.00 O ATOM 1377 CB MET A 91 1.094 -13.760 -0.826 1.00 0.00 C ATOM 1378 CG MET A 91 0.311 -14.496 0.250 1.00 0.00 C ATOM 1379 SD MET A 91 -0.924 -13.452 1.046 1.00 0.00 S ATOM 1380 CE MET A 91 -1.915 -12.964 -0.365 1.00 0.00 C ATOM 0 H MET A 91 2.975 -13.938 -3.111 1.00 0.00 H new ATOM 0 HA MET A 91 3.065 -14.376 -0.228 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.243 -12.727 -0.513 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.502 -13.733 -1.741 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.181 -15.362 -0.193 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.003 -14.873 1.003 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.960 -12.883 -0.065 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.568 -12.000 -0.737 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.820 -13.712 -1.152 1.00 0.00 H new ATOM 1390 N TYR A 92 2.681 -16.768 -0.710 1.00 0.00 N ATOM 1391 CA TYR A 92 2.564 -18.190 -1.009 1.00 0.00 C ATOM 1392 C TYR A 92 1.568 -18.864 -0.070 1.00 0.00 C ATOM 1393 O TYR A 92 1.838 -19.934 0.475 1.00 0.00 O ATOM 1394 CB TYR A 92 3.929 -18.871 -0.897 1.00 0.00 C ATOM 1395 CG TYR A 92 4.837 -18.604 -2.076 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.663 -17.486 -2.102 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.869 -19.468 -3.163 1.00 0.00 C ATOM 1398 CE1 TYR A 92 6.494 -17.238 -3.177 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.699 -19.228 -4.242 1.00 0.00 C ATOM 1400 CZ TYR A 92 6.509 -18.112 -4.244 1.00 0.00 C ATOM 1401 OH TYR A 92 7.335 -17.869 -5.317 1.00 0.00 O ATOM 0 H TYR A 92 3.098 -16.561 0.198 1.00 0.00 H new ATOM 0 HA TYR A 92 2.198 -18.291 -2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.421 -18.532 0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.782 -19.947 -0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.655 -16.800 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.235 -20.342 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.129 -16.364 -3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.713 -19.911 -5.079 1.00 0.00 H new ATOM 0 HH TYR A 92 7.225 -18.580 -5.982 1.00 0.00 H new ATOM 1411 N ALA A 93 0.415 -18.229 0.114 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.623 -18.767 0.985 1.00 0.00 C ATOM 1413 C ALA A 93 -2.011 -18.364 0.499 1.00 0.00 C ATOM 1414 O ALA A 93 -2.156 -17.425 -0.284 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.406 -18.298 2.416 1.00 0.00 C ATOM 0 H ALA A 93 0.176 -17.342 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.559 -19.855 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.188 -18.707 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.567 -18.641 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.441 -17.209 2.451 1.00 0.00 H new ATOM 1421 N SER A 94 -3.028 -19.079 0.967 1.00 0.00 N ATOM 1422 CA SER A 94 -4.404 -18.799 0.576 1.00 0.00 C ATOM 1423 C SER A 94 -4.734 -17.322 0.771 1.00 0.00 C ATOM 1424 O SER A 94 -4.464 -16.748 1.827 1.00 0.00 O ATOM 1425 CB SER A 94 -5.373 -19.661 1.387 1.00 0.00 C ATOM 1426 OG SER A 94 -5.278 -21.024 1.013 1.00 0.00 O ATOM 0 H SER A 94 -2.925 -19.857 1.618 1.00 0.00 H new ATOM 0 HA SER A 94 -4.512 -19.041 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.156 -19.556 2.450 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.393 -19.309 1.234 1.00 0.00 H new ATOM 0 HG SER A 94 -5.906 -21.554 1.547 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.320 -16.713 -0.253 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.685 -15.302 -0.197 1.00 0.00 C ATOM 1434 C TYR A 95 -7.181 -15.117 -0.433 1.00 0.00 C ATOM 1435 O TYR A 95 -7.651 -15.147 -1.571 1.00 0.00 O ATOM 1436 CB TYR A 95 -4.891 -14.506 -1.234 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.615 -13.279 -1.740 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -6.282 -12.431 -0.864 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -5.635 -12.969 -3.094 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -6.946 -11.310 -1.321 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -6.295 -11.848 -3.560 1.00 0.00 C ATOM 1442 CZ TYR A 95 -6.949 -11.022 -2.670 1.00 0.00 C ATOM 1443 OH TYR A 95 -7.609 -9.906 -3.131 1.00 0.00 O ATOM 0 H TYR A 95 -5.553 -17.174 -1.133 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.444 -14.930 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.940 -14.202 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.660 -15.155 -2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.281 -12.653 0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.126 -13.615 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.460 -10.662 -0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.299 -11.620 -4.616 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.600 -9.212 -2.439 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.925 -14.924 0.651 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.368 -14.732 0.565 1.00 0.00 C ATOM 1455 C LYS A 96 -9.733 -13.264 0.762 1.00 0.00 C ATOM 1456 O LYS A 96 -10.637 -12.747 0.107 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.081 -15.591 1.612 1.00 0.00 C ATOM 1458 CG LYS A 96 -10.355 -17.011 1.148 1.00 0.00 C ATOM 1459 CD LYS A 96 -9.076 -17.828 1.068 1.00 0.00 C ATOM 1460 CE LYS A 96 -9.177 -18.919 0.013 1.00 0.00 C ATOM 1461 NZ LYS A 96 -10.192 -19.947 0.373 1.00 0.00 N ATOM 0 H LYS A 96 -7.552 -14.896 1.600 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.692 -15.039 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.475 -15.624 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.025 -15.116 1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.052 -17.491 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.835 -16.989 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.238 -17.172 0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.869 -18.277 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.437 -18.473 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.205 -19.396 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.218 -20.682 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.940 -20.379 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.128 -19.499 0.449 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.024 -12.599 1.668 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.274 -11.190 1.950 1.00 0.00 C ATOM 1477 C ASN A 97 -8.065 -10.548 2.625 1.00 0.00 C ATOM 1478 O ASN A 97 -7.581 -11.033 3.648 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.509 -11.038 2.839 1.00 0.00 C ATOM 1480 CG ASN A 97 -10.611 -12.136 3.880 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -9.720 -12.302 4.712 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -11.702 -12.892 3.837 1.00 0.00 N ATOM 0 H ASN A 97 -8.272 -13.013 2.219 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.452 -10.681 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.477 -10.070 3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.404 -11.046 2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.827 -13.647 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.415 -12.718 3.129 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.583 -9.453 2.046 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.432 -8.743 2.591 1.00 0.00 C ATOM 1491 C LEU A 98 -6.805 -7.315 2.976 1.00 0.00 C ATOM 1492 O LEU A 98 -7.828 -6.789 2.537 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.289 -8.727 1.574 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.967 -10.064 0.906 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -4.169 -9.845 -0.370 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.207 -10.970 1.864 1.00 0.00 C ATOM 0 H LEU A 98 -7.972 -9.038 1.199 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.104 -9.268 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.532 -8.004 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.390 -8.367 2.074 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.906 -10.552 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.949 -10.808 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.750 -9.235 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.235 -9.335 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.986 -11.917 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.275 -10.488 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.815 -11.155 2.750 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.967 -6.691 3.797 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.206 -5.322 4.239 1.00 0.00 C ATOM 1510 C LYS A 99 -5.055 -4.409 3.828 1.00 0.00 C ATOM 1511 O LYS A 99 -3.949 -4.511 4.359 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.388 -5.280 5.758 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.810 -3.918 6.282 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.770 -3.867 7.800 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.983 -4.552 8.412 1.00 0.00 C ATOM 1516 NZ LYS A 99 -7.846 -4.707 9.887 1.00 0.00 N ATOM 0 H LYS A 99 -5.116 -7.112 4.170 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.118 -4.965 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.136 -6.019 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.452 -5.570 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.152 -3.151 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.818 -3.691 5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.860 -4.348 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.732 -2.829 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.879 -3.972 8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.116 -5.532 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.692 -5.178 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.006 -5.282 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.745 -3.770 10.327 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.323 -3.516 2.881 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.311 -2.583 2.401 1.00 0.00 C ATOM 1532 C VAL A 100 -4.218 -1.360 3.306 1.00 0.00 C ATOM 1533 O VAL A 100 -5.225 -0.717 3.602 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.609 -2.123 0.962 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.532 -1.166 0.474 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.729 -3.322 0.034 1.00 0.00 C ATOM 0 H VAL A 100 -6.233 -3.419 2.431 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.359 -3.114 2.414 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.561 -1.593 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.759 -0.851 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.500 -0.292 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.564 -1.668 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.940 -2.979 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.794 -3.882 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.540 -3.966 0.375 1.00 0.00 H new ATOM 1546 N GLU A 101 -3.003 -1.043 3.742 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.779 0.104 4.614 1.00 0.00 C ATOM 1548 C GLU A 101 -1.617 0.954 4.107 1.00 0.00 C ATOM 1549 O GLU A 101 -0.484 0.481 4.012 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.499 -0.361 6.044 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.757 -0.620 6.857 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.509 -0.556 8.352 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -3.080 -1.580 8.925 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.743 0.515 8.948 1.00 0.00 O ATOM 0 H GLU A 101 -2.159 -1.564 3.506 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.682 0.714 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.904 -1.274 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.898 0.393 6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.517 0.113 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.155 -1.602 6.600 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.908 2.209 3.784 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.888 3.125 3.288 1.00 0.00 C ATOM 1563 C ILE A 102 -0.716 4.316 4.225 1.00 0.00 C ATOM 1564 O ILE A 102 -1.664 5.059 4.483 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.232 3.641 1.878 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.486 2.467 0.931 1.00 0.00 C ATOM 1567 CG2 ILE A 102 -0.111 4.522 1.349 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.930 2.016 0.902 1.00 0.00 C ATOM 0 H ILE A 102 -2.841 2.615 3.857 1.00 0.00 H new ATOM 0 HA ILE A 102 0.045 2.563 3.243 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.141 4.240 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.182 2.751 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.857 1.628 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.369 4.879 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.027 5.374 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.813 3.946 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.036 1.181 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.233 1.701 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.562 2.841 0.575 1.00 0.00 H new ATOM 1580 N LYS A 103 0.500 4.494 4.730 1.00 0.00 N ATOM 1581 CA LYS A 103 0.798 5.597 5.636 1.00 0.00 C ATOM 1582 C LYS A 103 2.074 6.318 5.213 1.00 0.00 C ATOM 1583 O LYS A 103 2.896 5.768 4.480 1.00 0.00 O ATOM 1584 CB LYS A 103 0.943 5.082 7.070 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.295 4.370 7.587 1.00 0.00 C ATOM 1586 CD LYS A 103 0.010 3.558 8.835 1.00 0.00 C ATOM 1587 CE LYS A 103 -1.071 2.521 9.103 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.655 1.544 10.147 1.00 0.00 N ATOM 0 H LYS A 103 1.295 3.888 4.527 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.030 6.304 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.792 4.400 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.171 5.921 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.071 5.102 7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.689 3.713 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.973 3.060 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.096 4.225 9.693 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.986 3.023 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.302 1.990 8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.418 0.854 10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.203 1.047 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.459 2.048 11.036 1.00 0.00 H new ATOM 1602 N PHE A 104 2.234 7.552 5.680 1.00 0.00 N ATOM 1603 CA PHE A 104 3.410 8.348 5.351 1.00 0.00 C ATOM 1604 C PHE A 104 3.871 9.162 6.556 1.00 0.00 C ATOM 1605 O PHE A 104 3.250 10.161 6.917 1.00 0.00 O ATOM 1606 CB PHE A 104 3.108 9.281 4.176 1.00 0.00 C ATOM 1607 CG PHE A 104 4.093 10.407 4.036 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.372 10.170 3.558 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.740 11.701 4.383 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.280 11.204 3.427 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.644 12.738 4.254 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.916 12.489 3.777 1.00 0.00 C ATOM 0 H PHE A 104 1.563 8.022 6.288 1.00 0.00 H new ATOM 0 HA PHE A 104 4.212 7.666 5.068 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.099 8.700 3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.108 9.697 4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.663 9.166 3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.747 11.901 4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.273 11.007 3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.356 13.743 4.526 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.625 13.298 3.678 1.00 0.00 H new ATOM 1622 N GLN A 105 4.964 8.726 7.174 1.00 0.00 N ATOM 1623 CA GLN A 105 5.508 9.414 8.340 1.00 0.00 C ATOM 1624 C GLN A 105 4.448 9.566 9.425 1.00 0.00 C ATOM 1625 O GLN A 105 4.390 10.585 10.112 1.00 0.00 O ATOM 1626 CB GLN A 105 6.048 10.788 7.941 1.00 0.00 C ATOM 1627 CG GLN A 105 7.283 10.724 7.057 1.00 0.00 C ATOM 1628 CD GLN A 105 7.987 12.062 6.940 1.00 0.00 C ATOM 1629 OE1 GLN A 105 7.564 13.053 7.536 1.00 0.00 O ATOM 1630 NE2 GLN A 105 9.067 12.097 6.169 1.00 0.00 N ATOM 0 H GLN A 105 5.490 7.900 6.887 1.00 0.00 H new ATOM 0 HA GLN A 105 6.325 8.812 8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.266 11.339 7.419 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.286 11.351 8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.977 9.987 7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.996 10.380 6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.382 11.251 5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.582 12.970 6.052 1.00 0.00 H new ATOM 1639 N GLY A 106 3.609 8.544 9.574 1.00 0.00 N ATOM 1640 CA GLY A 106 2.562 8.585 10.578 1.00 0.00 C ATOM 1641 C GLY A 106 1.341 9.353 10.111 1.00 0.00 C ATOM 1642 O GLY A 106 0.669 10.006 10.909 1.00 0.00 O ATOM 0 H GLY A 106 3.636 7.690 9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.270 7.567 10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.951 9.045 11.486 1.00 0.00 H new ATOM 1646 N GLN A 107 1.055 9.276 8.816 1.00 0.00 N ATOM 1647 CA GLN A 107 -0.092 9.972 8.245 1.00 0.00 C ATOM 1648 C GLN A 107 -0.709 9.163 7.109 1.00 0.00 C ATOM 1649 O GLN A 107 -0.054 8.884 6.104 1.00 0.00 O ATOM 1650 CB GLN A 107 0.324 11.353 7.735 1.00 0.00 C ATOM 1651 CG GLN A 107 0.880 12.260 8.822 1.00 0.00 C ATOM 1652 CD GLN A 107 1.550 13.499 8.261 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.205 13.968 7.176 1.00 0.00 O ATOM 1654 NE2 GLN A 107 2.513 14.037 9.000 1.00 0.00 N ATOM 0 H GLN A 107 1.601 8.739 8.142 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.839 10.092 9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.075 11.232 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.538 11.836 7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.072 12.559 9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.599 11.703 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.766 13.615 9.893 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.999 14.872 8.674 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.974 8.789 7.274 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.680 8.011 6.262 1.00 0.00 C ATOM 1665 C HIS A 108 -2.789 8.792 4.956 1.00 0.00 C ATOM 1666 O HIS A 108 -3.063 9.992 4.958 1.00 0.00 O ATOM 1667 CB HIS A 108 -4.075 7.633 6.761 1.00 0.00 C ATOM 1668 CG HIS A 108 -4.105 6.359 7.547 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.625 5.181 7.052 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.674 6.081 8.800 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.513 4.235 7.967 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.939 4.755 9.037 1.00 0.00 N ATOM 0 H HIS A 108 -2.531 9.012 8.099 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.110 7.101 6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.462 8.442 7.381 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.745 7.539 5.906 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.208 6.774 9.486 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.836 3.210 7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.727 4.253 9.899 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.570 8.102 3.840 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.643 8.730 2.527 1.00 0.00 C ATOM 1683 C VAL A 109 -4.039 8.592 1.928 1.00 0.00 C ATOM 1684 O VAL A 109 -4.649 9.577 1.516 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.617 8.120 1.554 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.826 8.659 0.148 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.200 8.395 2.035 1.00 0.00 C ATOM 0 H VAL A 109 -2.341 7.108 3.820 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.414 9.786 2.669 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.765 7.040 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.091 8.216 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.830 8.406 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.707 9.742 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.513 7.957 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.038 9.471 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.059 7.954 3.022 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.538 7.361 1.884 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.863 7.093 1.339 1.00 0.00 C ATOM 1699 C ALA A 110 -6.835 6.679 2.437 1.00 0.00 C ATOM 1700 O ALA A 110 -6.495 6.694 3.620 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.784 6.015 0.267 1.00 0.00 C ATOM 0 H ALA A 110 -4.045 6.534 2.219 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.236 8.013 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.780 5.825 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.129 6.349 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.386 5.098 0.702 1.00 0.00 H new ATOM 1707 N LYS A 111 -8.048 6.310 2.039 1.00 0.00 N ATOM 1708 CA LYS A 111 -9.072 5.891 2.990 1.00 0.00 C ATOM 1709 C LYS A 111 -8.797 4.479 3.497 1.00 0.00 C ATOM 1710 O LYS A 111 -9.678 3.620 3.477 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.456 5.950 2.339 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.017 7.358 2.230 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.453 7.890 3.585 1.00 0.00 C ATOM 1714 CE LYS A 111 -12.861 7.433 3.936 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.885 8.072 3.064 1.00 0.00 N ATOM 0 H LYS A 111 -8.346 6.293 1.064 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.047 6.575 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.399 5.513 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.147 5.336 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.263 8.019 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.866 7.361 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.757 7.550 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.414 8.979 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.926 6.349 3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.071 7.672 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.813 8.032 3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.625 9.064 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.933 7.566 2.157 1.00 0.00 H new ATOM 1729 N SER A 112 -7.570 4.247 3.953 1.00 0.00 N ATOM 1730 CA SER A 112 -7.180 2.938 4.464 1.00 0.00 C ATOM 1731 C SER A 112 -7.538 2.802 5.941 1.00 0.00 C ATOM 1732 O SER A 112 -7.754 3.788 6.647 1.00 0.00 O ATOM 1733 CB SER A 112 -5.678 2.719 4.270 1.00 0.00 C ATOM 1734 OG SER A 112 -5.411 2.087 3.030 1.00 0.00 O ATOM 0 H SER A 112 -6.829 4.948 3.979 1.00 0.00 H new ATOM 0 HA SER A 112 -7.727 2.179 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.159 3.677 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.288 2.108 5.084 1.00 0.00 H new ATOM 0 HG SER A 112 -5.319 1.121 3.168 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.604 1.551 6.420 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.350 0.371 5.589 1.00 0.00 C ATOM 1742 C PRO A 113 -8.450 0.139 4.560 1.00 0.00 C ATOM 1743 O PRO A 113 -9.457 0.847 4.542 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.315 -0.776 6.603 1.00 0.00 C ATOM 1745 CG PRO A 113 -8.139 -0.295 7.747 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.932 1.193 7.810 1.00 0.00 C ATOM 0 HA PRO A 113 -6.434 0.472 5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.724 -1.693 6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.294 -0.997 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -9.191 -0.537 7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.831 -0.772 8.678 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.827 1.709 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -7.126 1.458 8.494 1.00 0.00 H new ATOM 1754 N TYR A 114 -8.252 -0.858 3.704 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.228 -1.182 2.670 1.00 0.00 C ATOM 1756 C TYR A 114 -9.743 -2.608 2.835 1.00 0.00 C ATOM 1757 O TYR A 114 -9.014 -3.574 2.604 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.608 -1.009 1.282 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.629 0.418 0.783 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.797 0.983 0.285 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.482 1.201 0.807 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.822 2.286 -0.173 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.497 2.505 0.352 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.669 3.043 -0.137 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.688 4.342 -0.592 1.00 0.00 O ATOM 0 H TYR A 114 -7.425 -1.455 3.706 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.070 -0.497 2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.577 -1.361 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.143 -1.641 0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.701 0.393 0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.562 0.783 1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.738 2.710 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.596 3.100 0.379 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.616 4.645 -0.678 1.00 0.00 H new ATOM 1775 N ILE A 115 -11.004 -2.732 3.235 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.618 -4.040 3.429 1.00 0.00 C ATOM 1777 C ILE A 115 -12.376 -4.482 2.182 1.00 0.00 C ATOM 1778 O ILE A 115 -13.445 -3.954 1.872 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.584 -4.035 4.629 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.882 -3.493 5.875 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -13.120 -5.436 4.883 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.746 -4.368 6.357 1.00 0.00 C ATOM 0 H ILE A 115 -11.620 -1.943 3.431 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.809 -4.743 3.627 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.425 -3.382 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.496 -2.496 5.660 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.613 -3.386 6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.801 -5.416 5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.653 -5.787 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -12.290 -6.110 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.294 -3.922 7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -11.129 -5.358 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.995 -4.455 5.572 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.817 -5.455 1.471 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.440 -5.971 0.257 1.00 0.00 C ATOM 1796 C LEU A 116 -12.849 -7.430 0.433 1.00 0.00 C ATOM 1797 O LEU A 116 -12.024 -8.336 0.317 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.483 -5.837 -0.928 1.00 0.00 C ATOM 1799 CG LEU A 116 -11.023 -4.418 -1.262 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -9.771 -4.063 -0.475 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.772 -4.276 -2.757 1.00 0.00 C ATOM 0 H LEU A 116 -10.933 -5.903 1.714 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.336 -5.383 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.601 -6.446 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.967 -6.257 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.815 -3.725 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.459 -3.049 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.983 -4.124 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.973 -4.761 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.445 -3.259 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.999 -4.980 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.692 -4.487 -3.302 1.00 0.00 H new ATOM 1813 N LYS A 117 -14.129 -7.650 0.713 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.650 -8.999 0.902 1.00 0.00 C ATOM 1815 C LYS A 117 -16.062 -9.121 0.335 1.00 0.00 C ATOM 1816 O LYS A 117 -16.838 -8.167 0.367 1.00 0.00 O ATOM 1817 CB LYS A 117 -14.652 -9.364 2.388 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.663 -8.578 3.206 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.390 -8.700 4.696 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.323 -7.814 5.507 1.00 0.00 C ATOM 1821 NZ LYS A 117 -17.679 -8.413 5.641 1.00 0.00 N ATOM 0 H LYS A 117 -14.825 -6.911 0.814 1.00 0.00 H new ATOM 0 HA LYS A 117 -14.001 -9.691 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.862 -10.429 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -13.656 -9.194 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.631 -7.528 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -16.668 -8.939 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.512 -9.738 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.355 -8.425 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -15.899 -7.651 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.403 -6.837 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.285 -7.779 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.095 -8.546 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.606 -9.333 6.120 1.00 0.00 H new