USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 722 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 64 LYS NZ :NH3+ -115:sc= 0.987 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.14 K(o=0.85,f=-3.5) USER MOD Single : A 8 MET CE :methyl 167:sc= -13.2! (180deg=-14.8!) USER MOD Single : A 15 GLN : amide:sc= -2.29 K(o=-2.3,f=-7.3!) USER MOD Single : A 17 ASN : amide:sc= -0.455 K(o=-0.45,f=-4.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3.94! C(o=-3.9!,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.0573 (180deg=-0.482) USER MOD Single : A 28 ASN : amide:sc= -0.453 K(o=-0.45,f=-2.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -6.18! C(o=-6.2!,f=-10!) USER MOD Single : A 57 ASN :FLIP amide:sc= -2.29! C(o=-7.4!,f=-2.3!) USER MOD Single : A 61 HIS : no HE2:sc= -7.76! C(o=-7.8!,f=-12!) USER MOD Single : A 62 THR OG1 : rot -60:sc= -1.95! USER MOD Single : A 65 HIS : no HE2:sc= -0.942 X(o=-0.94,f=-0.65) USER MOD Single : A 66 GLN : amide:sc= -1.64 X(o=-1.6,f=-2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0786 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -136:sc= -13.5! (180deg=-16.7!) USER MOD Single : A 86 ASN : amide:sc= -2.27! C(o=-2.3!,f=-3.1!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot -120:sc= -1.84! USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 98.446 0.834 -12.771 1.00 0.00 N ATOM 90 CA ARG A 7 97.137 0.253 -12.360 1.00 0.00 C ATOM 91 C ARG A 7 97.038 0.242 -10.833 1.00 0.00 C ATOM 92 O ARG A 7 98.033 0.280 -10.133 1.00 0.00 O ATOM 93 CB ARG A 7 97.026 -1.179 -12.888 1.00 0.00 C ATOM 94 CG ARG A 7 96.168 -1.190 -14.155 1.00 0.00 C ATOM 95 CD ARG A 7 97.064 -0.995 -15.380 1.00 0.00 C ATOM 96 NE ARG A 7 97.084 -2.249 -16.186 1.00 0.00 N ATOM 97 CZ ARG A 7 97.463 -2.220 -17.437 1.00 0.00 C ATOM 98 NH1 ARG A 7 97.824 -1.093 -17.989 1.00 0.00 N ATOM 99 NH2 ARG A 7 97.481 -3.322 -18.135 1.00 0.00 N ATOM 0 HA ARG A 7 96.328 0.857 -12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 7 98.018 -1.576 -13.104 1.00 0.00 H new ATOM 0 HB3 ARG A 7 96.582 -1.824 -12.130 1.00 0.00 H new ATOM 0 HG2 ARG A 7 95.628 -2.133 -14.233 1.00 0.00 H new ATOM 0 HG3 ARG A 7 95.421 -0.398 -14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 7 96.695 -0.167 -15.985 1.00 0.00 H new ATOM 0 HD3 ARG A 7 98.075 -0.735 -15.067 1.00 0.00 H new ATOM 0 HE ARG A 7 96.801 -3.132 -15.760 1.00 0.00 H new ATOM 0 HH11 ARG A 7 97.811 -0.231 -17.444 1.00 0.00 H new ATOM 0 HH12 ARG A 7 98.119 -1.075 -18.965 1.00 0.00 H new ATOM 0 HH21 ARG A 7 97.200 -4.203 -17.705 1.00 0.00 H new ATOM 0 HH22 ARG A 7 97.776 -3.303 -19.111 1.00 0.00 H new ATOM 113 N MET A 8 95.845 0.185 -10.309 1.00 0.00 N ATOM 114 CA MET A 8 95.679 0.168 -8.830 1.00 0.00 C ATOM 115 C MET A 8 96.245 -1.141 -8.262 1.00 0.00 C ATOM 116 O MET A 8 96.709 -1.191 -7.139 1.00 0.00 O ATOM 117 CB MET A 8 94.193 0.262 -8.481 1.00 0.00 C ATOM 118 CG MET A 8 94.026 0.244 -6.960 1.00 0.00 C ATOM 119 SD MET A 8 92.935 -1.120 -6.484 1.00 0.00 S ATOM 120 CE MET A 8 93.366 -1.168 -4.725 1.00 0.00 C ATOM 0 H MET A 8 94.977 0.149 -10.843 1.00 0.00 H new ATOM 0 HA MET A 8 96.213 1.015 -8.400 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.768 1.177 -8.894 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.650 -0.571 -8.927 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.997 0.131 -6.479 1.00 0.00 H new ATOM 0 HG3 MET A 8 93.610 1.192 -6.619 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.643 -1.784 -4.190 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.363 -1.592 -4.606 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.351 -0.157 -4.319 1.00 0.00 H new ATOM 130 N ARG A 9 96.192 -2.203 -9.022 1.00 0.00 N ATOM 131 CA ARG A 9 96.706 -3.514 -8.523 1.00 0.00 C ATOM 132 C ARG A 9 98.225 -3.455 -8.299 1.00 0.00 C ATOM 133 O ARG A 9 98.691 -3.736 -7.210 1.00 0.00 O ATOM 134 CB ARG A 9 96.356 -4.618 -9.524 1.00 0.00 C ATOM 135 CG ARG A 9 94.897 -5.034 -9.327 1.00 0.00 C ATOM 136 CD ARG A 9 94.818 -6.220 -8.361 1.00 0.00 C ATOM 137 NE ARG A 9 95.401 -5.835 -7.043 1.00 0.00 N ATOM 138 CZ ARG A 9 94.783 -4.978 -6.274 1.00 0.00 C ATOM 139 NH1 ARG A 9 93.650 -4.452 -6.652 1.00 0.00 N ATOM 140 NH2 ARG A 9 95.301 -4.645 -5.124 1.00 0.00 N ATOM 0 H ARG A 9 95.814 -2.220 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 9 96.233 -3.735 -7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 9 96.511 -4.263 -10.543 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.013 -5.476 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.321 -4.196 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.454 -5.305 -10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 9 93.781 -6.530 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 9 95.357 -7.073 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 9 96.286 -6.242 -6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 9 93.243 -4.709 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 9 93.171 -3.784 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 9 96.187 -5.053 -4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 9 94.820 -3.976 -4.522 1.00 0.00 H new ATOM 154 N PRO A 10 98.963 -3.082 -9.316 1.00 0.00 N ATOM 155 CA PRO A 10 100.426 -2.976 -9.211 1.00 0.00 C ATOM 156 C PRO A 10 100.792 -1.811 -8.295 1.00 0.00 C ATOM 157 O PRO A 10 101.812 -1.820 -7.634 1.00 0.00 O ATOM 158 CB PRO A 10 100.887 -2.743 -10.649 1.00 0.00 C ATOM 159 CG PRO A 10 99.661 -2.199 -11.401 1.00 0.00 C ATOM 160 CD PRO A 10 98.428 -2.717 -10.641 1.00 0.00 C ATOM 0 HA PRO A 10 100.900 -3.858 -8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.714 -2.033 -10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 10 101.243 -3.669 -11.100 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.673 -1.109 -11.428 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.654 -2.543 -12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.655 -1.953 -10.564 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.980 -3.575 -11.142 1.00 0.00 H new ATOM 168 N TRP A 11 99.949 -0.819 -8.230 1.00 0.00 N ATOM 169 CA TRP A 11 100.230 0.332 -7.335 1.00 0.00 C ATOM 170 C TRP A 11 100.223 -0.165 -5.888 1.00 0.00 C ATOM 171 O TRP A 11 101.112 0.128 -5.114 1.00 0.00 O ATOM 172 CB TRP A 11 99.148 1.400 -7.517 1.00 0.00 C ATOM 173 CG TRP A 11 99.602 2.684 -6.902 1.00 0.00 C ATOM 174 CD1 TRP A 11 100.403 3.594 -7.504 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.294 3.219 -5.582 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.607 4.652 -6.637 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.945 4.468 -5.442 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.523 2.749 -4.504 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.835 5.223 -4.276 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.411 3.507 -3.327 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.066 4.742 -3.214 1.00 0.00 C ATOM 0 H TRP A 11 99.079 -0.757 -8.758 1.00 0.00 H new ATOM 0 HA TRP A 11 101.200 0.766 -7.577 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.942 1.546 -8.577 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.218 1.072 -7.053 1.00 0.00 H new ATOM 0 HD1 TRP A 11 100.815 3.508 -8.498 1.00 0.00 H new ATOM 0 HE1 TRP A 11 101.178 5.469 -6.855 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.014 1.800 -4.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.341 6.174 -4.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 97.817 3.137 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 11 98.976 5.321 -2.307 1.00 0.00 H new ATOM 192 N LEU A 12 99.229 -0.934 -5.520 1.00 0.00 N ATOM 193 CA LEU A 12 99.171 -1.461 -4.130 1.00 0.00 C ATOM 194 C LEU A 12 100.299 -2.467 -3.934 1.00 0.00 C ATOM 195 O LEU A 12 100.898 -2.543 -2.883 1.00 0.00 O ATOM 196 CB LEU A 12 97.824 -2.148 -3.892 1.00 0.00 C ATOM 197 CG LEU A 12 96.999 -1.320 -2.907 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.051 -0.402 -3.678 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.185 -2.258 -2.012 1.00 0.00 C ATOM 0 H LEU A 12 98.458 -1.217 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 12 99.281 -0.639 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.286 -2.255 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.980 -3.152 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 12 97.666 -0.716 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 12 95.463 0.188 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 12 96.630 0.266 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 12 95.383 -1.004 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.596 -1.669 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.518 -2.861 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.861 -2.912 -1.461 1.00 0.00 H new ATOM 211 N GLU A 13 100.603 -3.235 -4.944 1.00 0.00 N ATOM 212 CA GLU A 13 101.706 -4.225 -4.812 1.00 0.00 C ATOM 213 C GLU A 13 103.015 -3.471 -4.562 1.00 0.00 C ATOM 214 O GLU A 13 103.904 -3.952 -3.886 1.00 0.00 O ATOM 215 CB GLU A 13 101.820 -5.035 -6.107 1.00 0.00 C ATOM 216 CG GLU A 13 102.987 -6.018 -5.999 1.00 0.00 C ATOM 217 CD GLU A 13 104.197 -5.462 -6.753 1.00 0.00 C ATOM 218 OE1 GLU A 13 104.761 -4.485 -6.289 1.00 0.00 O ATOM 219 OE2 GLU A 13 104.539 -6.023 -7.781 1.00 0.00 O ATOM 0 H GLU A 13 100.137 -3.219 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 13 101.504 -4.902 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.892 -5.576 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.973 -4.366 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.242 -6.182 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.701 -6.985 -6.413 1.00 0.00 H new ATOM 226 N GLU A 14 103.135 -2.290 -5.107 1.00 0.00 N ATOM 227 CA GLU A 14 104.380 -1.492 -4.916 1.00 0.00 C ATOM 228 C GLU A 14 104.404 -0.872 -3.516 1.00 0.00 C ATOM 229 O GLU A 14 105.406 -0.905 -2.833 1.00 0.00 O ATOM 230 CB GLU A 14 104.429 -0.376 -5.960 1.00 0.00 C ATOM 231 CG GLU A 14 105.193 -0.863 -7.192 1.00 0.00 C ATOM 232 CD GLU A 14 104.949 0.097 -8.357 1.00 0.00 C ATOM 233 OE1 GLU A 14 103.969 0.822 -8.306 1.00 0.00 O ATOM 234 OE2 GLU A 14 105.746 0.093 -9.280 1.00 0.00 O ATOM 0 H GLU A 14 102.420 -1.842 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 14 105.242 -2.149 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.418 -0.080 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.915 0.506 -5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 14 106.259 -0.921 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.868 -1.868 -7.461 1.00 0.00 H new ATOM 241 N GLN A 15 103.315 -0.297 -3.082 1.00 0.00 N ATOM 242 CA GLN A 15 103.298 0.327 -1.727 1.00 0.00 C ATOM 243 C GLN A 15 103.519 -0.747 -0.664 1.00 0.00 C ATOM 244 O GLN A 15 104.144 -0.513 0.351 1.00 0.00 O ATOM 245 CB GLN A 15 101.944 0.995 -1.487 1.00 0.00 C ATOM 246 CG GLN A 15 101.644 1.965 -2.627 1.00 0.00 C ATOM 247 CD GLN A 15 102.834 2.905 -2.827 1.00 0.00 C ATOM 248 OE1 GLN A 15 103.584 3.160 -1.906 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.038 3.435 -4.002 1.00 0.00 N ATOM 0 H GLN A 15 102.441 -0.232 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 15 104.092 1.072 -1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.161 0.240 -1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.953 1.527 -0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.446 1.413 -3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.747 2.541 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.408 3.220 -4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.828 4.064 -4.148 1.00 0.00 H new ATOM 258 N ILE A 16 103.002 -1.919 -0.886 1.00 0.00 N ATOM 259 CA ILE A 16 103.169 -3.013 0.113 1.00 0.00 C ATOM 260 C ILE A 16 104.586 -3.583 0.028 1.00 0.00 C ATOM 261 O ILE A 16 105.333 -3.551 0.984 1.00 0.00 O ATOM 262 CB ILE A 16 102.158 -4.122 -0.177 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.742 -3.543 -0.144 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.282 -5.218 0.883 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.878 -4.255 -1.185 1.00 0.00 C ATOM 0 H ILE A 16 102.469 -2.170 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 16 103.002 -2.615 1.114 1.00 0.00 H new ATOM 0 HB ILE A 16 102.357 -4.544 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.310 -3.666 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.770 -2.473 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.561 -6.008 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.290 -5.632 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.084 -4.796 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.869 -3.844 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.308 -4.109 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.841 -5.321 -0.959 1.00 0.00 H new ATOM 277 N ASN A 17 104.959 -4.113 -1.105 1.00 0.00 N ATOM 278 CA ASN A 17 106.326 -4.693 -1.237 1.00 0.00 C ATOM 279 C ASN A 17 107.368 -3.690 -0.736 1.00 0.00 C ATOM 280 O ASN A 17 108.223 -4.015 0.062 1.00 0.00 O ATOM 281 CB ASN A 17 106.604 -5.028 -2.705 1.00 0.00 C ATOM 282 CG ASN A 17 106.906 -6.521 -2.840 1.00 0.00 C ATOM 283 OD1 ASN A 17 106.831 -7.258 -1.877 1.00 0.00 O ATOM 284 ND2 ASN A 17 107.248 -7.002 -4.004 1.00 0.00 N ATOM 0 H ASN A 17 104.379 -4.169 -1.942 1.00 0.00 H new ATOM 0 HA ASN A 17 106.386 -5.602 -0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.743 -4.764 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.447 -4.441 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.452 -7.996 -4.105 1.00 0.00 H new ATOM 0 HD22 ASN A 17 107.311 -6.384 -4.813 1.00 0.00 H new ATOM 291 N SER A 18 107.305 -2.476 -1.202 1.00 0.00 N ATOM 292 CA SER A 18 108.296 -1.455 -0.756 1.00 0.00 C ATOM 293 C SER A 18 107.954 -0.986 0.661 1.00 0.00 C ATOM 294 O SER A 18 108.819 -0.586 1.416 1.00 0.00 O ATOM 295 CB SER A 18 108.267 -0.256 -1.706 1.00 0.00 C ATOM 296 OG SER A 18 109.540 -0.116 -2.322 1.00 0.00 O ATOM 0 H SER A 18 106.611 -2.145 -1.872 1.00 0.00 H new ATOM 0 HA SER A 18 109.291 -1.900 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.496 -0.396 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 18 108.013 0.651 -1.158 1.00 0.00 H new ATOM 0 HG SER A 18 109.525 0.650 -2.933 1.00 0.00 H new ATOM 302 N ASN A 19 106.703 -1.029 1.026 1.00 0.00 N ATOM 303 CA ASN A 19 106.312 -0.583 2.392 1.00 0.00 C ATOM 304 C ASN A 19 106.400 0.942 2.471 1.00 0.00 C ATOM 305 O ASN A 19 107.346 1.492 2.998 1.00 0.00 O ATOM 306 CB ASN A 19 107.258 -1.206 3.421 1.00 0.00 C ATOM 307 CG ASN A 19 106.461 -2.089 4.382 1.00 0.00 C ATOM 308 OD1 ASN A 19 105.448 -1.673 4.909 1.00 0.00 O ATOM 309 ND2 ASN A 19 106.877 -3.299 4.635 1.00 0.00 N ATOM 0 H ASN A 19 105.935 -1.353 0.438 1.00 0.00 H new ATOM 0 HA ASN A 19 105.290 -0.899 2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.022 -1.798 2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 19 107.776 -0.423 3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 19 106.352 -3.895 5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 19 107.727 -3.649 4.193 1.00 0.00 H new ATOM 316 N THR A 20 105.421 1.630 1.945 1.00 0.00 N ATOM 317 CA THR A 20 105.451 3.118 1.986 1.00 0.00 C ATOM 318 C THR A 20 104.878 3.607 3.319 1.00 0.00 C ATOM 319 O THR A 20 105.145 4.711 3.751 1.00 0.00 O ATOM 320 CB THR A 20 104.621 3.680 0.825 1.00 0.00 C ATOM 321 OG1 THR A 20 104.955 5.047 0.626 1.00 0.00 O ATOM 322 CG2 THR A 20 103.130 3.560 1.140 1.00 0.00 C ATOM 0 H THR A 20 104.603 1.224 1.490 1.00 0.00 H new ATOM 0 HA THR A 20 106.481 3.463 1.891 1.00 0.00 H new ATOM 0 HB THR A 20 104.840 3.112 -0.079 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.427 5.408 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.549 3.962 0.310 1.00 0.00 H new ATOM 0 HG22 THR A 20 102.873 2.511 1.289 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.903 4.121 2.046 1.00 0.00 H new ATOM 330 N ILE A 21 104.096 2.792 3.975 1.00 0.00 N ATOM 331 CA ILE A 21 103.511 3.214 5.281 1.00 0.00 C ATOM 332 C ILE A 21 103.901 2.201 6.365 1.00 0.00 C ATOM 333 O ILE A 21 103.865 1.006 6.134 1.00 0.00 O ATOM 334 CB ILE A 21 101.985 3.270 5.170 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.582 4.204 4.028 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.397 3.795 6.480 1.00 0.00 C ATOM 337 CD1 ILE A 21 102.213 5.582 4.240 1.00 0.00 C ATOM 0 H ILE A 21 103.838 1.855 3.665 1.00 0.00 H new ATOM 0 HA ILE A 21 103.892 4.201 5.544 1.00 0.00 H new ATOM 0 HB ILE A 21 101.604 2.268 4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 21 101.906 3.788 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.497 4.293 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.311 3.835 6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.677 3.130 7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.783 4.795 6.677 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.923 6.244 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.867 5.999 5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 21 103.299 5.486 4.261 1.00 0.00 H new ATOM 349 N PRO A 22 104.254 2.706 7.523 1.00 0.00 N ATOM 350 CA PRO A 22 104.652 1.862 8.663 1.00 0.00 C ATOM 351 C PRO A 22 103.417 1.210 9.284 1.00 0.00 C ATOM 352 O PRO A 22 102.887 1.668 10.275 1.00 0.00 O ATOM 353 CB PRO A 22 105.312 2.849 9.632 1.00 0.00 C ATOM 354 CG PRO A 22 104.766 4.248 9.263 1.00 0.00 C ATOM 355 CD PRO A 22 104.277 4.156 7.805 1.00 0.00 C ATOM 0 HA PRO A 22 105.321 1.046 8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 22 105.073 2.598 10.665 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.398 2.818 9.539 1.00 0.00 H new ATOM 0 HG2 PRO A 22 103.951 4.534 9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.542 5.007 9.365 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.289 4.601 7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 22 104.947 4.684 7.126 1.00 0.00 H new ATOM 363 N GLY A 23 102.957 0.144 8.694 1.00 0.00 N ATOM 364 CA GLY A 23 101.752 -0.551 9.225 1.00 0.00 C ATOM 365 C GLY A 23 101.077 -1.311 8.084 1.00 0.00 C ATOM 366 O GLY A 23 100.327 -2.241 8.300 1.00 0.00 O ATOM 0 H GLY A 23 103.366 -0.279 7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 23 102.034 -1.239 10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 23 101.060 0.171 9.658 1.00 0.00 H new ATOM 370 N LEU A 24 101.347 -0.924 6.864 1.00 0.00 N ATOM 371 CA LEU A 24 100.732 -1.625 5.705 1.00 0.00 C ATOM 372 C LEU A 24 101.830 -2.412 4.977 1.00 0.00 C ATOM 373 O LEU A 24 102.853 -1.868 4.613 1.00 0.00 O ATOM 374 CB LEU A 24 100.078 -0.581 4.773 1.00 0.00 C ATOM 375 CG LEU A 24 100.496 -0.800 3.313 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.923 -2.127 2.810 1.00 0.00 C ATOM 377 CD2 LEU A 24 99.963 0.345 2.448 1.00 0.00 C ATOM 0 H LEU A 24 101.968 -0.151 6.623 1.00 0.00 H new ATOM 0 HA LEU A 24 99.959 -2.320 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.993 -0.644 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.364 0.422 5.089 1.00 0.00 H new ATOM 0 HG LEU A 24 101.584 -0.826 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.220 -2.282 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.305 -2.944 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.835 -2.102 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.261 0.187 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.875 0.374 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.373 1.291 2.803 1.00 0.00 H new ATOM 389 N LYS A 25 101.630 -3.684 4.762 1.00 0.00 N ATOM 390 CA LYS A 25 102.683 -4.478 4.056 1.00 0.00 C ATOM 391 C LYS A 25 102.222 -5.921 3.821 1.00 0.00 C ATOM 392 O LYS A 25 101.122 -6.302 4.167 1.00 0.00 O ATOM 393 CB LYS A 25 103.969 -4.490 4.884 1.00 0.00 C ATOM 394 CG LYS A 25 103.629 -4.382 6.369 1.00 0.00 C ATOM 395 CD LYS A 25 102.632 -5.479 6.745 1.00 0.00 C ATOM 396 CE LYS A 25 102.918 -5.959 8.169 1.00 0.00 C ATOM 397 NZ LYS A 25 104.198 -6.721 8.185 1.00 0.00 N ATOM 0 H LYS A 25 100.797 -4.204 5.039 1.00 0.00 H new ATOM 0 HA LYS A 25 102.867 -4.008 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.526 -5.408 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.611 -3.661 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.534 -4.478 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 25 103.206 -3.401 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.613 -5.099 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.710 -6.312 6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.980 -5.107 8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 25 102.102 -6.589 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 104.163 -7.443 8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.339 -7.183 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.987 -6.070 8.370 1.00 0.00 H new ATOM 411 N TRP A 26 103.071 -6.722 3.227 1.00 0.00 N ATOM 412 CA TRP A 26 102.714 -8.145 2.949 1.00 0.00 C ATOM 413 C TRP A 26 102.991 -9.010 4.180 1.00 0.00 C ATOM 414 O TRP A 26 104.127 -9.332 4.465 1.00 0.00 O ATOM 415 CB TRP A 26 103.597 -8.684 1.819 1.00 0.00 C ATOM 416 CG TRP A 26 103.153 -8.173 0.488 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.898 -7.388 -0.317 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.905 -8.423 -0.221 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.188 -7.133 -1.474 1.00 0.00 N ATOM 420 CE2 TRP A 26 101.951 -7.744 -1.460 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.750 -9.160 0.090 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.884 -7.795 -2.361 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.675 -9.214 -0.813 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.743 -8.533 -2.035 1.00 0.00 C ATOM 0 H TRP A 26 104.004 -6.447 2.921 1.00 0.00 H new ATOM 0 HA TRP A 26 101.658 -8.183 2.681 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.633 -8.393 1.995 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.567 -9.774 1.820 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.888 -7.019 -0.093 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.536 -6.563 -2.245 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.688 -9.689 1.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.941 -7.268 -3.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.792 -9.783 -0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 26 98.914 -8.578 -2.725 1.00 0.00 H new ATOM 435 N LEU A 27 101.983 -9.436 4.889 1.00 0.00 N ATOM 436 CA LEU A 27 102.258 -10.321 6.052 1.00 0.00 C ATOM 437 C LEU A 27 102.887 -11.596 5.500 1.00 0.00 C ATOM 438 O LEU A 27 103.727 -12.221 6.117 1.00 0.00 O ATOM 439 CB LEU A 27 100.960 -10.680 6.782 1.00 0.00 C ATOM 440 CG LEU A 27 100.088 -9.439 6.998 1.00 0.00 C ATOM 441 CD1 LEU A 27 99.192 -9.678 8.213 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.965 -8.207 7.254 1.00 0.00 C ATOM 0 H LEU A 27 101.002 -9.215 4.719 1.00 0.00 H new ATOM 0 HA LEU A 27 102.916 -9.817 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.407 -11.421 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.194 -11.136 7.744 1.00 0.00 H new ATOM 0 HG LEU A 27 99.486 -9.262 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.564 -8.803 8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.561 -10.548 8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.811 -9.854 9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.330 -7.334 7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.574 -8.372 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.615 -8.038 6.396 1.00 0.00 H new ATOM 454 N ASN A 28 102.474 -11.967 4.320 1.00 0.00 N ATOM 455 CA ASN A 28 103.015 -13.183 3.661 1.00 0.00 C ATOM 456 C ASN A 28 102.733 -13.073 2.161 1.00 0.00 C ATOM 457 O ASN A 28 101.844 -13.716 1.637 1.00 0.00 O ATOM 458 CB ASN A 28 102.326 -14.429 4.226 1.00 0.00 C ATOM 459 CG ASN A 28 103.183 -15.027 5.343 1.00 0.00 C ATOM 460 OD1 ASN A 28 104.393 -14.917 5.323 1.00 0.00 O ATOM 461 ND2 ASN A 28 102.604 -15.662 6.326 1.00 0.00 N ATOM 0 H ASN A 28 101.771 -11.467 3.776 1.00 0.00 H new ATOM 0 HA ASN A 28 104.087 -13.266 3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.340 -14.169 4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.176 -15.164 3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 28 103.167 -16.065 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 28 101.588 -15.756 6.345 1.00 0.00 H new ATOM 468 N LYS A 29 103.469 -12.245 1.468 1.00 0.00 N ATOM 469 CA LYS A 29 103.225 -12.085 0.007 1.00 0.00 C ATOM 470 C LYS A 29 103.380 -13.440 -0.684 1.00 0.00 C ATOM 471 O LYS A 29 102.908 -13.640 -1.785 1.00 0.00 O ATOM 472 CB LYS A 29 104.205 -11.063 -0.583 1.00 0.00 C ATOM 473 CG LYS A 29 105.622 -11.634 -0.621 1.00 0.00 C ATOM 474 CD LYS A 29 106.402 -11.147 0.603 1.00 0.00 C ATOM 475 CE LYS A 29 106.426 -12.243 1.668 1.00 0.00 C ATOM 476 NZ LYS A 29 107.838 -12.574 2.008 1.00 0.00 N ATOM 0 H LYS A 29 104.225 -11.676 1.849 1.00 0.00 H new ATOM 0 HA LYS A 29 102.211 -11.718 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 29 103.891 -10.789 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 29 104.191 -10.151 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 29 105.586 -12.723 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 29 106.127 -11.322 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 29 107.420 -10.883 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 29 105.940 -10.245 1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 29 105.894 -11.910 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 29 105.911 -13.131 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 107.855 -13.320 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 108.331 -12.908 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 108.315 -11.725 2.373 1.00 0.00 H new ATOM 490 N GLU A 30 104.018 -14.383 -0.039 1.00 0.00 N ATOM 491 CA GLU A 30 104.168 -15.724 -0.666 1.00 0.00 C ATOM 492 C GLU A 30 102.771 -16.241 -1.001 1.00 0.00 C ATOM 493 O GLU A 30 102.504 -16.685 -2.099 1.00 0.00 O ATOM 494 CB GLU A 30 104.860 -16.682 0.309 1.00 0.00 C ATOM 495 CG GLU A 30 104.102 -16.700 1.639 1.00 0.00 C ATOM 496 CD GLU A 30 104.971 -17.357 2.714 1.00 0.00 C ATOM 497 OE1 GLU A 30 104.971 -18.575 2.785 1.00 0.00 O ATOM 498 OE2 GLU A 30 105.622 -16.631 3.448 1.00 0.00 O ATOM 0 H GLU A 30 104.437 -14.281 0.886 1.00 0.00 H new ATOM 0 HA GLU A 30 104.775 -15.657 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 30 104.894 -17.686 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.891 -16.369 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 30 103.844 -15.684 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 30 103.166 -17.247 1.529 1.00 0.00 H new ATOM 505 N LYS A 31 101.869 -16.153 -0.060 1.00 0.00 N ATOM 506 CA LYS A 31 100.473 -16.601 -0.316 1.00 0.00 C ATOM 507 C LYS A 31 99.638 -15.385 -0.731 1.00 0.00 C ATOM 508 O LYS A 31 98.486 -15.508 -1.090 1.00 0.00 O ATOM 509 CB LYS A 31 99.888 -17.220 0.954 1.00 0.00 C ATOM 510 CG LYS A 31 99.860 -18.743 0.816 1.00 0.00 C ATOM 511 CD LYS A 31 100.231 -19.383 2.156 1.00 0.00 C ATOM 512 CE LYS A 31 100.262 -20.906 2.004 1.00 0.00 C ATOM 513 NZ LYS A 31 101.603 -21.328 1.509 1.00 0.00 N ATOM 0 H LYS A 31 102.041 -15.789 0.877 1.00 0.00 H new ATOM 0 HA LYS A 31 100.462 -17.349 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.486 -16.934 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 31 98.880 -16.841 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 31 98.869 -19.073 0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 31 100.559 -19.062 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 31 101.204 -19.020 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.508 -19.098 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 31 100.049 -21.382 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 31 99.487 -21.229 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 101.625 -22.363 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 101.788 -20.884 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 102.333 -21.033 2.189 1.00 0.00 H new ATOM 527 N LYS A 32 100.230 -14.213 -0.693 1.00 0.00 N ATOM 528 CA LYS A 32 99.513 -12.963 -1.094 1.00 0.00 C ATOM 529 C LYS A 32 98.678 -12.407 0.065 1.00 0.00 C ATOM 530 O LYS A 32 97.509 -12.118 -0.090 1.00 0.00 O ATOM 531 CB LYS A 32 98.603 -13.233 -2.297 1.00 0.00 C ATOM 532 CG LYS A 32 99.398 -13.955 -3.388 1.00 0.00 C ATOM 533 CD LYS A 32 100.571 -13.077 -3.829 1.00 0.00 C ATOM 534 CE LYS A 32 100.040 -11.763 -4.406 1.00 0.00 C ATOM 535 NZ LYS A 32 100.906 -11.331 -5.540 1.00 0.00 N ATOM 0 H LYS A 32 101.195 -14.070 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 32 100.265 -12.223 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 32 97.750 -13.840 -1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.205 -12.295 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 32 99.766 -14.910 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.753 -14.173 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 32 101.226 -12.875 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 32 101.168 -13.599 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 32 99.013 -11.892 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.024 -10.994 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 100.545 -10.438 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.879 -11.192 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 100.899 -12.062 -6.280 1.00 0.00 H new ATOM 549 N ILE A 33 99.271 -12.220 1.217 1.00 0.00 N ATOM 550 CA ILE A 33 98.495 -11.642 2.357 1.00 0.00 C ATOM 551 C ILE A 33 99.037 -10.252 2.673 1.00 0.00 C ATOM 552 O ILE A 33 100.194 -10.092 3.000 1.00 0.00 O ATOM 553 CB ILE A 33 98.634 -12.499 3.610 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.133 -13.916 3.330 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.799 -11.863 4.725 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.331 -14.857 3.188 1.00 0.00 C ATOM 0 H ILE A 33 100.247 -12.439 1.417 1.00 0.00 H new ATOM 0 HA ILE A 33 97.445 -11.601 2.067 1.00 0.00 H new ATOM 0 HB ILE A 33 99.680 -12.554 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.486 -14.252 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.535 -13.929 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.885 -12.462 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.162 -10.854 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.754 -11.819 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.977 -15.869 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.960 -14.523 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.910 -14.851 4.111 1.00 0.00 H new ATOM 568 N PHE A 34 98.216 -9.244 2.595 1.00 0.00 N ATOM 569 CA PHE A 34 98.714 -7.880 2.909 1.00 0.00 C ATOM 570 C PHE A 34 97.797 -7.222 3.937 1.00 0.00 C ATOM 571 O PHE A 34 96.595 -7.187 3.778 1.00 0.00 O ATOM 572 CB PHE A 34 98.766 -7.032 1.629 1.00 0.00 C ATOM 573 CG PHE A 34 97.384 -6.521 1.274 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.854 -5.410 1.945 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.636 -7.148 0.267 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.583 -4.930 1.613 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.365 -6.665 -0.065 1.00 0.00 C ATOM 578 CZ PHE A 34 94.839 -5.557 0.608 1.00 0.00 C ATOM 0 H PHE A 34 97.233 -9.305 2.330 1.00 0.00 H new ATOM 0 HA PHE A 34 99.720 -7.952 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.446 -6.192 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.162 -7.628 0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.428 -4.924 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.041 -8.004 -0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.176 -4.075 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 34 94.790 -7.148 -0.841 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.858 -5.186 0.351 1.00 0.00 H new ATOM 588 N GLN A 35 98.360 -6.696 4.989 1.00 0.00 N ATOM 589 CA GLN A 35 97.522 -6.035 6.024 1.00 0.00 C ATOM 590 C GLN A 35 97.752 -4.525 5.961 1.00 0.00 C ATOM 591 O GLN A 35 98.845 -4.060 5.708 1.00 0.00 O ATOM 592 CB GLN A 35 97.888 -6.596 7.414 1.00 0.00 C ATOM 593 CG GLN A 35 98.726 -5.589 8.214 1.00 0.00 C ATOM 594 CD GLN A 35 99.187 -6.220 9.530 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.625 -7.198 9.980 1.00 0.00 O ATOM 596 NE2 GLN A 35 100.191 -5.690 10.172 1.00 0.00 N ATOM 0 H GLN A 35 99.363 -6.696 5.175 1.00 0.00 H new ATOM 0 HA GLN A 35 96.466 -6.234 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.978 -6.835 7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.444 -7.526 7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.591 -5.277 7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 35 98.138 -4.694 8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.662 -4.869 9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.505 -6.097 11.053 1.00 0.00 H new ATOM 605 N ILE A 36 96.731 -3.763 6.197 1.00 0.00 N ATOM 606 CA ILE A 36 96.880 -2.285 6.161 1.00 0.00 C ATOM 607 C ILE A 36 96.506 -1.750 7.549 1.00 0.00 C ATOM 608 O ILE A 36 95.753 -2.392 8.248 1.00 0.00 O ATOM 609 CB ILE A 36 95.922 -1.738 5.087 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.569 -1.884 3.712 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.590 -0.260 5.328 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.551 -1.502 2.638 1.00 0.00 C ATOM 0 H ILE A 36 95.793 -4.099 6.415 1.00 0.00 H new ATOM 0 HA ILE A 36 97.897 -1.979 5.917 1.00 0.00 H new ATOM 0 HB ILE A 36 94.996 -2.310 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.449 -1.245 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.907 -2.909 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.912 0.092 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 36 95.115 -0.148 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.508 0.328 5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 36 96.006 -1.604 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.685 -2.160 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 36 95.235 -0.469 2.787 1.00 0.00 H new ATOM 624 N PRO A 37 97.046 -0.607 7.914 1.00 0.00 N ATOM 625 CA PRO A 37 96.763 0.026 9.221 1.00 0.00 C ATOM 626 C PRO A 37 95.447 0.823 9.179 1.00 0.00 C ATOM 627 O PRO A 37 94.681 0.798 10.119 1.00 0.00 O ATOM 628 CB PRO A 37 97.955 0.947 9.434 1.00 0.00 C ATOM 629 CG PRO A 37 98.543 1.241 8.031 1.00 0.00 C ATOM 630 CD PRO A 37 98.010 0.146 7.083 1.00 0.00 C ATOM 0 HA PRO A 37 96.638 -0.699 10.025 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.649 1.870 9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.700 0.475 10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.242 2.230 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.633 1.231 8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.529 0.577 6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.814 -0.496 6.723 1.00 0.00 H new ATOM 638 N TRP A 38 95.155 1.501 8.093 1.00 0.00 N ATOM 639 CA TRP A 38 93.859 2.250 8.010 1.00 0.00 C ATOM 640 C TRP A 38 93.854 3.420 9.000 1.00 0.00 C ATOM 641 O TRP A 38 94.857 4.075 9.206 1.00 0.00 O ATOM 642 CB TRP A 38 92.731 1.278 8.338 1.00 0.00 C ATOM 643 CG TRP A 38 92.950 0.062 7.515 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.765 -0.956 7.839 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.390 -0.258 6.223 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.748 -1.885 6.814 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.904 -1.501 5.798 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.491 0.405 5.393 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.538 -2.062 4.581 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.116 -0.145 4.172 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.638 -1.380 3.759 1.00 0.00 C ATOM 0 H TRP A 38 95.751 1.568 7.268 1.00 0.00 H new ATOM 0 HA TRP A 38 93.726 2.659 7.008 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.732 1.030 9.399 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.761 1.724 8.116 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.339 -1.036 8.750 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.293 -2.747 6.812 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.081 1.356 5.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.945 -3.014 4.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.419 0.382 3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.345 -1.802 2.809 1.00 0.00 H new ATOM 865 N ALA A 52 96.651 9.189 5.441 1.00 0.00 N ATOM 866 CA ALA A 52 96.531 10.438 4.636 1.00 0.00 C ATOM 867 C ALA A 52 97.629 10.577 3.548 1.00 0.00 C ATOM 868 O ALA A 52 97.453 11.367 2.641 1.00 0.00 O ATOM 869 CB ALA A 52 96.606 11.639 5.575 1.00 0.00 C ATOM 0 HA ALA A 52 95.574 10.394 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 52 96.519 12.559 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 52 95.792 11.587 6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 52 97.560 11.630 6.102 1.00 0.00 H new ATOM 875 N PRO A 53 98.734 9.852 3.639 1.00 0.00 N ATOM 876 CA PRO A 53 99.809 9.973 2.634 1.00 0.00 C ATOM 877 C PRO A 53 99.412 9.281 1.325 1.00 0.00 C ATOM 878 O PRO A 53 99.691 9.770 0.249 1.00 0.00 O ATOM 879 CB PRO A 53 101.010 9.288 3.293 1.00 0.00 C ATOM 880 CG PRO A 53 100.435 8.345 4.373 1.00 0.00 C ATOM 881 CD PRO A 53 99.022 8.862 4.701 1.00 0.00 C ATOM 0 HA PRO A 53 100.023 11.007 2.363 1.00 0.00 H new ATOM 0 HB2 PRO A 53 101.590 8.729 2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 53 101.681 10.023 3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 53 100.397 7.318 4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.064 8.346 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 53 98.292 8.052 4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 53 98.986 9.319 5.690 1.00 0.00 H new ATOM 889 N LEU A 54 98.755 8.159 1.404 1.00 0.00 N ATOM 890 CA LEU A 54 98.333 7.455 0.157 1.00 0.00 C ATOM 891 C LEU A 54 97.112 8.162 -0.383 1.00 0.00 C ATOM 892 O LEU A 54 96.952 8.410 -1.562 1.00 0.00 O ATOM 893 CB LEU A 54 97.933 6.030 0.480 1.00 0.00 C ATOM 894 CG LEU A 54 99.147 5.200 0.886 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.312 6.086 1.347 1.00 0.00 C ATOM 896 CD2 LEU A 54 98.717 4.322 2.039 1.00 0.00 C ATOM 0 H LEU A 54 98.491 7.698 2.275 1.00 0.00 H new ATOM 0 HA LEU A 54 99.153 7.456 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.200 6.028 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.453 5.578 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 54 99.492 4.620 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.158 5.458 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 54 100.607 6.751 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.000 6.680 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 54 99.558 3.709 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.384 4.947 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 54 97.899 3.676 1.719 1.00 0.00 H new ATOM 908 N PHE A 55 96.249 8.477 0.517 1.00 0.00 N ATOM 909 CA PHE A 55 94.998 9.169 0.181 1.00 0.00 C ATOM 910 C PHE A 55 95.305 10.413 -0.668 1.00 0.00 C ATOM 911 O PHE A 55 94.453 10.926 -1.363 1.00 0.00 O ATOM 912 CB PHE A 55 94.374 9.567 1.508 1.00 0.00 C ATOM 913 CG PHE A 55 93.204 8.669 1.815 1.00 0.00 C ATOM 914 CD1 PHE A 55 93.431 7.349 2.223 1.00 0.00 C ATOM 915 CD2 PHE A 55 91.896 9.152 1.702 1.00 0.00 C ATOM 916 CE1 PHE A 55 92.351 6.513 2.517 1.00 0.00 C ATOM 917 CE2 PHE A 55 90.814 8.315 1.997 1.00 0.00 C ATOM 918 CZ PHE A 55 91.042 6.994 2.404 1.00 0.00 C ATOM 0 H PHE A 55 96.364 8.275 1.510 1.00 0.00 H new ATOM 0 HA PHE A 55 94.324 8.538 -0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.116 9.497 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.046 10.606 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.441 6.977 2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.721 10.170 1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.527 5.495 2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 55 89.804 8.687 1.911 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.207 6.347 2.631 1.00 0.00 H new ATOM 928 N ARG A 56 96.522 10.897 -0.619 1.00 0.00 N ATOM 929 CA ARG A 56 96.890 12.099 -1.429 1.00 0.00 C ATOM 930 C ARG A 56 97.194 11.660 -2.861 1.00 0.00 C ATOM 931 O ARG A 56 96.620 12.169 -3.804 1.00 0.00 O ATOM 932 CB ARG A 56 98.126 12.769 -0.811 1.00 0.00 C ATOM 933 CG ARG A 56 98.795 13.693 -1.835 1.00 0.00 C ATOM 934 CD ARG A 56 97.875 14.875 -2.141 1.00 0.00 C ATOM 935 NE ARG A 56 98.187 15.998 -1.212 1.00 0.00 N ATOM 936 CZ ARG A 56 99.346 16.598 -1.272 1.00 0.00 C ATOM 937 NH1 ARG A 56 100.239 16.218 -2.147 1.00 0.00 N ATOM 938 NH2 ARG A 56 99.613 17.581 -0.456 1.00 0.00 N ATOM 0 H ARG A 56 97.277 10.511 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 56 96.065 12.812 -1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.836 13.341 0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.833 12.009 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 56 99.748 14.053 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 56 99.011 13.142 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 56 98.008 15.196 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 56 96.832 14.577 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 56 97.494 16.299 -0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 56 100.032 15.450 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.143 16.689 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 56 98.917 17.880 0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 56 100.517 18.050 -0.502 1.00 0.00 H new ATOM 952 N ASN A 57 98.080 10.709 -3.030 1.00 0.00 N ATOM 953 CA ASN A 57 98.408 10.217 -4.405 1.00 0.00 C ATOM 954 C ASN A 57 97.109 10.131 -5.194 1.00 0.00 C ATOM 955 O ASN A 57 97.077 10.325 -6.392 1.00 0.00 O ATOM 956 CB ASN A 57 99.046 8.821 -4.331 1.00 0.00 C ATOM 957 CG ASN A 57 100.186 8.816 -3.318 1.00 0.00 C ATOM 958 OD1 ASN A 57 99.894 8.690 -2.061 1.00 0.00 O flip ATOM 959 ND2 ASN A 57 101.342 8.925 -3.674 1.00 0.00 N flip ATOM 0 H ASN A 57 98.591 10.252 -2.275 1.00 0.00 H new ATOM 0 HA ASN A 57 99.111 10.898 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 57 98.294 8.084 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.421 8.532 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 57 101.563 9.024 -4.665 1.00 0.00 H new ATOM 0 HD22 ASN A 57 102.092 8.918 -2.982 1.00 0.00 H new ATOM 966 N TRP A 58 96.027 9.871 -4.512 1.00 0.00 N ATOM 967 CA TRP A 58 94.713 9.804 -5.204 1.00 0.00 C ATOM 968 C TRP A 58 94.586 11.044 -6.081 1.00 0.00 C ATOM 969 O TRP A 58 95.263 12.028 -5.858 1.00 0.00 O ATOM 970 CB TRP A 58 93.586 9.801 -4.172 1.00 0.00 C ATOM 971 CG TRP A 58 93.191 8.398 -3.841 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.921 7.931 -3.850 1.00 0.00 C ATOM 973 CD2 TRP A 58 94.037 7.276 -3.448 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.932 6.600 -3.483 1.00 0.00 N ATOM 975 CE2 TRP A 58 93.211 6.149 -3.227 1.00 0.00 C ATOM 976 CE3 TRP A 58 95.424 7.122 -3.262 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.739 4.922 -2.834 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.958 5.884 -2.869 1.00 0.00 C ATOM 979 CH2 TRP A 58 95.116 4.787 -2.654 1.00 0.00 C ATOM 0 H TRP A 58 95.998 9.703 -3.506 1.00 0.00 H new ATOM 0 HA TRP A 58 94.646 8.896 -5.803 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.909 10.318 -3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.726 10.346 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 58 91.042 8.506 -4.103 1.00 0.00 H new ATOM 0 HE1 TRP A 58 91.096 6.020 -3.410 1.00 0.00 H new ATOM 0 HE3 TRP A 58 96.083 7.963 -3.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 93.085 4.078 -2.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 97.024 5.778 -2.732 1.00 0.00 H new ATOM 0 HH2 TRP A 58 95.531 3.838 -2.349 1.00 0.00 H new ATOM 990 N ALA A 59 93.738 11.005 -7.076 1.00 0.00 N ATOM 991 CA ALA A 59 93.581 12.185 -7.978 1.00 0.00 C ATOM 992 C ALA A 59 94.668 12.123 -9.055 1.00 0.00 C ATOM 993 O ALA A 59 94.401 12.268 -10.231 1.00 0.00 O ATOM 994 CB ALA A 59 93.715 13.483 -7.177 1.00 0.00 C ATOM 0 H ALA A 59 93.147 10.206 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 59 92.595 12.166 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.599 14.336 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.944 13.517 -6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.698 13.521 -6.707 1.00 0.00 H new ATOM 1000 N ILE A 60 95.890 11.890 -8.658 1.00 0.00 N ATOM 1001 CA ILE A 60 96.996 11.794 -9.646 1.00 0.00 C ATOM 1002 C ILE A 60 97.106 10.340 -10.106 1.00 0.00 C ATOM 1003 O ILE A 60 97.412 10.054 -11.247 1.00 0.00 O ATOM 1004 CB ILE A 60 98.307 12.219 -8.980 1.00 0.00 C ATOM 1005 CG1 ILE A 60 98.055 13.437 -8.090 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.336 12.577 -10.054 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.592 14.612 -8.951 1.00 0.00 C ATOM 0 H ILE A 60 96.168 11.762 -7.685 1.00 0.00 H new ATOM 0 HA ILE A 60 96.799 12.444 -10.499 1.00 0.00 H new ATOM 0 HB ILE A 60 98.688 11.397 -8.374 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.300 13.202 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 60 98.966 13.703 -7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.269 12.879 -9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.517 11.709 -10.688 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.956 13.398 -10.662 1.00 0.00 H new ATOM 0 HD11 ILE A 60 97.413 15.480 -8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 60 98.362 14.852 -9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.670 14.344 -9.468 1.00 0.00 H new ATOM 1019 N HIS A 61 96.844 9.418 -9.217 1.00 0.00 N ATOM 1020 CA HIS A 61 96.918 7.976 -9.579 1.00 0.00 C ATOM 1021 C HIS A 61 95.551 7.512 -10.090 1.00 0.00 C ATOM 1022 O HIS A 61 94.563 8.204 -9.958 1.00 0.00 O ATOM 1023 CB HIS A 61 97.297 7.163 -8.340 1.00 0.00 C ATOM 1024 CG HIS A 61 97.658 5.765 -8.753 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.573 5.508 -9.760 1.00 0.00 N ATOM 1026 CD2 HIS A 61 97.239 4.537 -8.303 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.674 4.173 -9.884 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.882 3.533 -9.019 1.00 0.00 N ATOM 0 H HIS A 61 96.580 9.606 -8.250 1.00 0.00 H new ATOM 0 HA HIS A 61 97.668 7.831 -10.356 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.137 7.631 -7.827 1.00 0.00 H new ATOM 0 HB3 HIS A 61 96.465 7.143 -7.636 1.00 0.00 H new ATOM 0 HD1 HIS A 61 99.078 6.204 -10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.520 4.376 -7.514 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.317 3.678 -10.596 1.00 0.00 H new ATOM 1036 N THR A 62 95.491 6.346 -10.673 1.00 0.00 N ATOM 1037 CA THR A 62 94.190 5.834 -11.195 1.00 0.00 C ATOM 1038 C THR A 62 93.621 6.816 -12.223 1.00 0.00 C ATOM 1039 O THR A 62 92.464 6.745 -12.586 1.00 0.00 O ATOM 1040 CB THR A 62 93.198 5.671 -10.038 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.632 6.933 -9.718 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.923 5.108 -8.814 1.00 0.00 C ATOM 0 H THR A 62 96.288 5.724 -10.811 1.00 0.00 H new ATOM 0 HA THR A 62 94.352 4.867 -11.672 1.00 0.00 H new ATOM 0 HB THR A 62 92.406 4.983 -10.335 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.344 7.553 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 62 93.215 4.993 -7.993 1.00 0.00 H new ATOM 0 HG22 THR A 62 94.353 4.137 -9.061 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.717 5.792 -8.515 1.00 0.00 H new ATOM 1050 N GLY A 63 94.427 7.727 -12.699 1.00 0.00 N ATOM 1051 CA GLY A 63 93.937 8.712 -13.708 1.00 0.00 C ATOM 1052 C GLY A 63 92.536 9.194 -13.327 1.00 0.00 C ATOM 1053 O GLY A 63 91.583 8.994 -14.053 1.00 0.00 O ATOM 0 H GLY A 63 95.406 7.832 -12.432 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.620 9.560 -13.763 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.917 8.254 -14.697 1.00 0.00 H new ATOM 1057 N LYS A 64 92.398 9.822 -12.190 1.00 0.00 N ATOM 1058 CA LYS A 64 91.058 10.305 -11.767 1.00 0.00 C ATOM 1059 C LYS A 64 91.021 11.836 -11.781 1.00 0.00 C ATOM 1060 O LYS A 64 89.968 12.438 -11.713 1.00 0.00 O ATOM 1061 CB LYS A 64 90.768 9.806 -10.353 1.00 0.00 C ATOM 1062 CG LYS A 64 89.547 8.891 -10.383 1.00 0.00 C ATOM 1063 CD LYS A 64 89.999 7.430 -10.356 1.00 0.00 C ATOM 1064 CE LYS A 64 88.909 6.548 -10.967 1.00 0.00 C ATOM 1065 NZ LYS A 64 87.956 6.127 -9.903 1.00 0.00 N ATOM 0 H LYS A 64 93.157 10.020 -11.538 1.00 0.00 H new ATOM 0 HA LYS A 64 90.306 9.925 -12.458 1.00 0.00 H new ATOM 0 HB2 LYS A 64 91.631 9.268 -9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 64 90.589 10.650 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.903 9.099 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 64 88.958 9.083 -11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 64 90.929 7.316 -10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 64 90.201 7.119 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 64 88.380 7.094 -11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 64 89.356 5.672 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 88.009 5.096 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 88.203 6.598 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 86.989 6.393 -10.178 1.00 0.00 H new ATOM 1079 N HIS A 65 92.157 12.475 -11.864 1.00 0.00 N ATOM 1080 CA HIS A 65 92.163 13.966 -11.874 1.00 0.00 C ATOM 1081 C HIS A 65 93.493 14.481 -12.438 1.00 0.00 C ATOM 1082 O HIS A 65 94.532 13.874 -12.271 1.00 0.00 O ATOM 1083 CB HIS A 65 91.968 14.485 -10.440 1.00 0.00 C ATOM 1084 CG HIS A 65 92.458 15.908 -10.335 1.00 0.00 C ATOM 1085 ND1 HIS A 65 91.633 16.996 -10.577 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.690 16.431 -10.033 1.00 0.00 C ATOM 1087 CE1 HIS A 65 92.376 18.108 -10.419 1.00 0.00 C ATOM 1088 NE2 HIS A 65 93.637 17.820 -10.087 1.00 0.00 N ATOM 0 H HIS A 65 93.074 12.033 -11.925 1.00 0.00 H new ATOM 0 HA HIS A 65 91.350 14.326 -12.505 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.914 14.433 -10.166 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.511 13.852 -9.738 1.00 0.00 H new ATOM 0 HD1 HIS A 65 90.645 16.961 -10.828 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.568 15.852 -9.790 1.00 0.00 H new ATOM 0 HE1 HIS A 65 91.998 19.112 -10.546 1.00 0.00 H new ATOM 1096 N GLN A 66 93.460 15.610 -13.095 1.00 0.00 N ATOM 1097 CA GLN A 66 94.709 16.190 -13.661 1.00 0.00 C ATOM 1098 C GLN A 66 94.839 17.641 -13.180 1.00 0.00 C ATOM 1099 O GLN A 66 93.928 18.427 -13.354 1.00 0.00 O ATOM 1100 CB GLN A 66 94.636 16.168 -15.190 1.00 0.00 C ATOM 1101 CG GLN A 66 95.791 15.331 -15.747 1.00 0.00 C ATOM 1102 CD GLN A 66 95.700 15.288 -17.274 1.00 0.00 C ATOM 1103 OE1 GLN A 66 96.656 15.589 -17.960 1.00 0.00 O ATOM 1104 NE2 GLN A 66 94.581 14.924 -17.839 1.00 0.00 N ATOM 0 H GLN A 66 92.616 16.157 -13.264 1.00 0.00 H new ATOM 0 HA GLN A 66 95.570 15.608 -13.333 1.00 0.00 H new ATOM 0 HB2 GLN A 66 93.682 15.750 -15.513 1.00 0.00 H new ATOM 0 HB3 GLN A 66 94.688 17.184 -15.581 1.00 0.00 H new ATOM 0 HG2 GLN A 66 96.745 15.759 -15.441 1.00 0.00 H new ATOM 0 HG3 GLN A 66 95.751 14.320 -15.341 1.00 0.00 H new ATOM 0 HE21 GLN A 66 93.778 14.671 -17.263 1.00 0.00 H new ATOM 0 HE22 GLN A 66 94.510 14.892 -18.856 1.00 0.00 H new ATOM 1113 N PRO A 67 95.958 17.959 -12.579 1.00 0.00 N ATOM 1114 CA PRO A 67 96.214 19.313 -12.056 1.00 0.00 C ATOM 1115 C PRO A 67 96.569 20.271 -13.196 1.00 0.00 C ATOM 1116 O PRO A 67 97.464 20.018 -13.978 1.00 0.00 O ATOM 1117 CB PRO A 67 97.405 19.115 -11.115 1.00 0.00 C ATOM 1118 CG PRO A 67 98.112 17.818 -11.574 1.00 0.00 C ATOM 1119 CD PRO A 67 97.070 17.008 -12.370 1.00 0.00 C ATOM 0 HA PRO A 67 95.350 19.749 -11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 67 98.084 19.966 -11.164 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.073 19.031 -10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 67 98.980 18.048 -12.193 1.00 0.00 H new ATOM 0 HG3 PRO A 67 98.473 17.249 -10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.478 16.657 -13.318 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.743 16.127 -11.818 1.00 0.00 H new ATOM 1127 N GLY A 68 95.874 21.372 -13.294 1.00 0.00 N ATOM 1128 CA GLY A 68 96.171 22.346 -14.381 1.00 0.00 C ATOM 1129 C GLY A 68 95.147 22.185 -15.506 1.00 0.00 C ATOM 1130 O GLY A 68 95.087 22.982 -16.422 1.00 0.00 O ATOM 0 H GLY A 68 95.114 21.638 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 68 96.141 23.363 -13.990 1.00 0.00 H new ATOM 0 HA3 GLY A 68 97.178 22.182 -14.765 1.00 0.00 H new ATOM 1134 N ILE A 69 94.342 21.160 -15.448 1.00 0.00 N ATOM 1135 CA ILE A 69 93.324 20.951 -16.516 1.00 0.00 C ATOM 1136 C ILE A 69 91.930 20.881 -15.891 1.00 0.00 C ATOM 1137 O ILE A 69 90.982 21.444 -16.402 1.00 0.00 O ATOM 1138 CB ILE A 69 93.615 19.640 -17.247 1.00 0.00 C ATOM 1139 CG1 ILE A 69 94.950 19.751 -17.984 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.499 19.363 -18.255 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.435 18.354 -18.378 1.00 0.00 C ATOM 0 H ILE A 69 94.345 20.458 -14.708 1.00 0.00 H new ATOM 0 HA ILE A 69 93.365 21.782 -17.221 1.00 0.00 H new ATOM 0 HB ILE A 69 93.666 18.825 -16.525 1.00 0.00 H new ATOM 0 HG12 ILE A 69 94.836 20.372 -18.873 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.689 20.238 -17.348 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.704 18.429 -18.778 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.547 19.284 -17.731 1.00 0.00 H new ATOM 0 HG23 ILE A 69 92.449 20.179 -18.976 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.387 18.434 -18.903 1.00 0.00 H new ATOM 0 HD12 ILE A 69 95.565 17.748 -17.482 1.00 0.00 H new ATOM 0 HD13 ILE A 69 94.699 17.884 -19.030 1.00 0.00 H new ATOM 1153 N ASP A 70 91.794 20.190 -14.793 1.00 0.00 N ATOM 1154 CA ASP A 70 90.458 20.080 -14.142 1.00 0.00 C ATOM 1155 C ASP A 70 90.544 20.579 -12.698 1.00 0.00 C ATOM 1156 O ASP A 70 91.594 20.970 -12.226 1.00 0.00 O ATOM 1157 CB ASP A 70 90.007 18.619 -14.153 1.00 0.00 C ATOM 1158 CG ASP A 70 89.785 18.164 -15.596 1.00 0.00 C ATOM 1159 OD1 ASP A 70 89.842 19.006 -16.477 1.00 0.00 O ATOM 1160 OD2 ASP A 70 89.562 16.981 -15.797 1.00 0.00 O ATOM 0 H ASP A 70 92.550 19.697 -14.318 1.00 0.00 H new ATOM 0 HA ASP A 70 89.738 20.688 -14.689 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.759 17.992 -13.674 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.087 18.507 -13.580 1.00 0.00 H new ATOM 1165 N LYS A 71 89.444 20.572 -11.994 1.00 0.00 N ATOM 1166 CA LYS A 71 89.455 21.048 -10.581 1.00 0.00 C ATOM 1167 C LYS A 71 89.752 19.876 -9.641 1.00 0.00 C ATOM 1168 O LYS A 71 89.384 18.752 -9.918 1.00 0.00 O ATOM 1169 CB LYS A 71 88.086 21.639 -10.232 1.00 0.00 C ATOM 1170 CG LYS A 71 87.548 22.437 -11.422 1.00 0.00 C ATOM 1171 CD LYS A 71 86.048 22.680 -11.233 1.00 0.00 C ATOM 1172 CE LYS A 71 85.289 21.365 -11.419 1.00 0.00 C ATOM 1173 NZ LYS A 71 84.858 21.235 -12.840 1.00 0.00 N ATOM 0 H LYS A 71 88.537 20.257 -12.337 1.00 0.00 H new ATOM 0 HA LYS A 71 90.226 21.810 -10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 71 87.390 20.841 -9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.170 22.284 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 71 88.074 23.388 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 71 87.726 21.893 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 71 85.857 23.085 -10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 71 85.696 23.420 -11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.925 20.524 -11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 71 84.421 21.338 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 84.342 20.341 -12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.237 22.031 -13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.694 21.242 -13.458 1.00 0.00 H new ATOM 1187 N PRO A 72 90.407 20.180 -8.548 1.00 0.00 N ATOM 1188 CA PRO A 72 90.767 19.175 -7.531 1.00 0.00 C ATOM 1189 C PRO A 72 89.550 18.840 -6.662 1.00 0.00 C ATOM 1190 O PRO A 72 89.012 19.689 -5.978 1.00 0.00 O ATOM 1191 CB PRO A 72 91.853 19.872 -6.707 1.00 0.00 C ATOM 1192 CG PRO A 72 91.654 21.392 -6.920 1.00 0.00 C ATOM 1193 CD PRO A 72 90.850 21.553 -8.224 1.00 0.00 C ATOM 0 HA PRO A 72 91.105 18.231 -7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 72 91.766 19.613 -5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 72 92.846 19.561 -7.031 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.120 21.834 -6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 72 92.615 21.902 -6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 72 90.002 22.224 -8.089 1.00 0.00 H new ATOM 0 HD3 PRO A 72 91.464 21.972 -9.021 1.00 0.00 H new ATOM 1201 N ASP A 73 89.110 17.611 -6.684 1.00 0.00 N ATOM 1202 CA ASP A 73 87.926 17.227 -5.863 1.00 0.00 C ATOM 1203 C ASP A 73 88.289 16.041 -4.960 1.00 0.00 C ATOM 1204 O ASP A 73 88.326 14.913 -5.413 1.00 0.00 O ATOM 1205 CB ASP A 73 86.776 16.827 -6.788 1.00 0.00 C ATOM 1206 CG ASP A 73 85.663 17.873 -6.703 1.00 0.00 C ATOM 1207 OD1 ASP A 73 85.951 19.035 -6.940 1.00 0.00 O ATOM 1208 OD2 ASP A 73 84.543 17.495 -6.403 1.00 0.00 O ATOM 0 H ASP A 73 89.519 16.856 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 73 87.623 18.073 -5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.133 16.744 -7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.391 15.848 -6.504 1.00 0.00 H new ATOM 1213 N PRO A 74 88.544 16.328 -3.709 1.00 0.00 N ATOM 1214 CA PRO A 74 88.905 15.299 -2.718 1.00 0.00 C ATOM 1215 C PRO A 74 87.655 14.542 -2.254 1.00 0.00 C ATOM 1216 O PRO A 74 87.742 13.544 -1.567 1.00 0.00 O ATOM 1217 CB PRO A 74 89.512 16.107 -1.567 1.00 0.00 C ATOM 1218 CG PRO A 74 88.957 17.545 -1.704 1.00 0.00 C ATOM 1219 CD PRO A 74 88.499 17.701 -3.166 1.00 0.00 C ATOM 0 HA PRO A 74 89.588 14.546 -3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 74 89.240 15.676 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 74 90.601 16.104 -1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 74 88.126 17.707 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 74 89.722 18.281 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 74 87.495 18.120 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.157 18.370 -3.720 1.00 0.00 H new ATOM 1227 N LYS A 75 86.495 15.010 -2.625 1.00 0.00 N ATOM 1228 CA LYS A 75 85.245 14.316 -2.205 1.00 0.00 C ATOM 1229 C LYS A 75 85.237 12.895 -2.771 1.00 0.00 C ATOM 1230 O LYS A 75 84.673 11.989 -2.190 1.00 0.00 O ATOM 1231 CB LYS A 75 84.031 15.082 -2.735 1.00 0.00 C ATOM 1232 CG LYS A 75 84.159 15.259 -4.250 1.00 0.00 C ATOM 1233 CD LYS A 75 83.425 14.122 -4.961 1.00 0.00 C ATOM 1234 CE LYS A 75 81.917 14.285 -4.764 1.00 0.00 C ATOM 1235 NZ LYS A 75 81.193 13.605 -5.876 1.00 0.00 N ATOM 0 H LYS A 75 86.359 15.842 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 75 85.201 14.275 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 75 83.115 14.541 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 75 83.962 16.055 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 75 83.741 16.220 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 75 85.210 15.264 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.666 14.128 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 75 83.752 13.160 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 75 81.617 13.859 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 75 81.655 15.343 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 80.168 13.716 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 81.472 14.031 -6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 81.434 12.593 -5.880 1.00 0.00 H new ATOM 1249 N THR A 76 85.855 12.692 -3.903 1.00 0.00 N ATOM 1250 CA THR A 76 85.877 11.329 -4.504 1.00 0.00 C ATOM 1251 C THR A 76 87.162 10.606 -4.096 1.00 0.00 C ATOM 1252 O THR A 76 87.161 9.419 -3.836 1.00 0.00 O ATOM 1253 CB THR A 76 85.823 11.443 -6.029 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.748 12.812 -6.398 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.594 10.702 -6.552 1.00 0.00 C ATOM 0 H THR A 76 86.345 13.410 -4.436 1.00 0.00 H new ATOM 0 HA THR A 76 85.015 10.765 -4.148 1.00 0.00 H new ATOM 0 HB THR A 76 86.721 11.001 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.715 12.886 -7.375 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.555 10.783 -7.638 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.655 9.651 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.694 11.142 -6.123 1.00 0.00 H new ATOM 1263 N TRP A 77 88.259 11.309 -4.042 1.00 0.00 N ATOM 1264 CA TRP A 77 89.543 10.658 -3.658 1.00 0.00 C ATOM 1265 C TRP A 77 89.349 9.841 -2.378 1.00 0.00 C ATOM 1266 O TRP A 77 90.078 8.908 -2.110 1.00 0.00 O ATOM 1267 CB TRP A 77 90.607 11.732 -3.417 1.00 0.00 C ATOM 1268 CG TRP A 77 90.685 12.634 -4.607 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.202 12.343 -5.836 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.273 13.964 -4.702 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.455 13.411 -6.680 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.114 14.434 -6.027 1.00 0.00 C ATOM 1273 CE3 TRP A 77 91.921 14.798 -3.775 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 91.582 15.689 -6.418 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 92.395 16.062 -4.166 1.00 0.00 C ATOM 1276 CH2 TRP A 77 92.225 16.507 -5.484 1.00 0.00 C ATOM 0 H TRP A 77 88.322 12.306 -4.247 1.00 0.00 H new ATOM 0 HA TRP A 77 89.864 9.997 -4.463 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.361 12.309 -2.526 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.576 11.265 -3.237 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.701 11.427 -6.114 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.187 13.439 -7.664 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.056 14.466 -2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 91.448 16.026 -7.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 92.893 16.694 -3.446 1.00 0.00 H new ATOM 0 HH2 TRP A 77 92.590 17.480 -5.778 1.00 0.00 H new ATOM 1287 N LYS A 78 88.375 10.188 -1.580 1.00 0.00 N ATOM 1288 CA LYS A 78 88.147 9.432 -0.315 1.00 0.00 C ATOM 1289 C LYS A 78 87.326 8.170 -0.599 1.00 0.00 C ATOM 1290 O LYS A 78 87.568 7.123 -0.031 1.00 0.00 O ATOM 1291 CB LYS A 78 87.387 10.317 0.676 1.00 0.00 C ATOM 1292 CG LYS A 78 88.235 10.521 1.932 1.00 0.00 C ATOM 1293 CD LYS A 78 87.674 11.691 2.740 1.00 0.00 C ATOM 1294 CE LYS A 78 88.461 12.961 2.411 1.00 0.00 C ATOM 1295 NZ LYS A 78 87.916 14.101 3.200 1.00 0.00 N ATOM 0 H LYS A 78 87.729 10.960 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 78 89.110 9.146 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 78 87.158 11.280 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 78 86.436 9.854 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 78 88.234 9.614 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 78 89.271 10.719 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 78 86.619 11.834 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 78 87.740 11.475 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 78 89.517 12.817 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 78 88.394 13.178 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 88.451 14.965 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 86.914 14.242 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 88.002 13.893 4.215 1.00 0.00 H new ATOM 1309 N ALA A 79 86.356 8.257 -1.467 1.00 0.00 N ATOM 1310 CA ALA A 79 85.522 7.060 -1.776 1.00 0.00 C ATOM 1311 C ALA A 79 86.228 6.194 -2.823 1.00 0.00 C ATOM 1312 O ALA A 79 85.718 5.174 -3.243 1.00 0.00 O ATOM 1313 CB ALA A 79 84.167 7.513 -2.323 1.00 0.00 C ATOM 0 H ALA A 79 86.104 9.105 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 79 85.375 6.478 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.556 6.639 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.661 8.127 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.318 8.096 -3.232 1.00 0.00 H new ATOM 1319 N ASN A 80 87.394 6.592 -3.253 1.00 0.00 N ATOM 1320 CA ASN A 80 88.122 5.790 -4.277 1.00 0.00 C ATOM 1321 C ASN A 80 89.020 4.758 -3.588 1.00 0.00 C ATOM 1322 O ASN A 80 89.419 3.776 -4.181 1.00 0.00 O ATOM 1323 CB ASN A 80 88.980 6.722 -5.136 1.00 0.00 C ATOM 1324 CG ASN A 80 88.129 7.306 -6.264 1.00 0.00 C ATOM 1325 OD1 ASN A 80 88.575 7.406 -7.389 1.00 0.00 O ATOM 1326 ND2 ASN A 80 86.909 7.698 -6.010 1.00 0.00 N ATOM 0 H ASN A 80 87.873 7.436 -2.940 1.00 0.00 H new ATOM 0 HA ASN A 80 87.400 5.271 -4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.389 7.525 -4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.826 6.175 -5.551 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.333 8.087 -6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.533 7.615 -5.066 1.00 0.00 H new ATOM 1333 N PHE A 81 89.345 4.970 -2.341 1.00 0.00 N ATOM 1334 CA PHE A 81 90.221 3.998 -1.627 1.00 0.00 C ATOM 1335 C PHE A 81 89.363 2.940 -0.928 1.00 0.00 C ATOM 1336 O PHE A 81 89.577 1.754 -1.082 1.00 0.00 O ATOM 1337 CB PHE A 81 91.066 4.735 -0.586 1.00 0.00 C ATOM 1338 CG PHE A 81 92.403 4.044 -0.434 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.560 2.715 -0.851 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.487 4.734 0.120 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.797 2.079 -0.714 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.726 4.096 0.259 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.881 2.769 -0.160 1.00 0.00 C ATOM 0 H PHE A 81 89.043 5.772 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 81 90.876 3.511 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 81 91.214 5.771 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.545 4.755 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.724 2.182 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 81 93.368 5.759 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.916 1.055 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.562 4.628 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.837 2.278 -0.056 1.00 0.00 H new ATOM 1353 N ARG A 82 88.396 3.357 -0.158 1.00 0.00 N ATOM 1354 CA ARG A 82 87.533 2.369 0.549 1.00 0.00 C ATOM 1355 C ARG A 82 86.990 1.356 -0.461 1.00 0.00 C ATOM 1356 O ARG A 82 86.868 0.183 -0.170 1.00 0.00 O ATOM 1357 CB ARG A 82 86.366 3.095 1.222 1.00 0.00 C ATOM 1358 CG ARG A 82 85.434 2.067 1.865 1.00 0.00 C ATOM 1359 CD ARG A 82 83.997 2.320 1.406 1.00 0.00 C ATOM 1360 NE ARG A 82 83.254 3.040 2.479 1.00 0.00 N ATOM 1361 CZ ARG A 82 81.948 3.066 2.467 1.00 0.00 C ATOM 1362 NH1 ARG A 82 81.287 2.460 1.518 1.00 0.00 N ATOM 1363 NH2 ARG A 82 81.303 3.699 3.407 1.00 0.00 N ATOM 0 H ARG A 82 88.166 4.336 0.012 1.00 0.00 H new ATOM 0 HA ARG A 82 88.120 1.850 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.740 3.786 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.821 3.689 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 82 85.742 1.059 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.497 2.133 2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 82 83.995 2.909 0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.504 1.375 1.179 1.00 0.00 H new ATOM 0 HE ARG A 82 83.766 3.513 3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 82 81.790 1.964 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 82 80.267 2.483 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 82 81.818 4.172 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 82 80.283 3.721 3.400 1.00 0.00 H new ATOM 1377 N CYS A 83 86.666 1.796 -1.648 1.00 0.00 N ATOM 1378 CA CYS A 83 86.137 0.853 -2.672 1.00 0.00 C ATOM 1379 C CYS A 83 87.190 -0.216 -2.970 1.00 0.00 C ATOM 1380 O CYS A 83 86.899 -1.395 -3.012 1.00 0.00 O ATOM 1381 CB CYS A 83 85.810 1.618 -3.955 1.00 0.00 C ATOM 1382 SG CYS A 83 84.039 1.989 -4.005 1.00 0.00 S ATOM 0 H CYS A 83 86.745 2.767 -1.951 1.00 0.00 H new ATOM 0 HA CYS A 83 85.231 0.378 -2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.387 2.542 -3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 83 86.093 1.026 -4.826 1.00 0.00 H new ATOM 0 HG CYS A 83 83.763 2.641 -5.095 1.00 0.00 H new ATOM 1388 N ALA A 84 88.416 0.186 -3.169 1.00 0.00 N ATOM 1389 CA ALA A 84 89.487 -0.809 -3.455 1.00 0.00 C ATOM 1390 C ALA A 84 89.391 -1.950 -2.445 1.00 0.00 C ATOM 1391 O ALA A 84 89.817 -3.056 -2.702 1.00 0.00 O ATOM 1392 CB ALA A 84 90.855 -0.134 -3.338 1.00 0.00 C ATOM 0 H ALA A 84 88.721 1.159 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 84 89.365 -1.202 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.639 -0.862 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.919 0.685 -4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.983 0.257 -2.329 1.00 0.00 H new ATOM 1398 N MET A 85 88.829 -1.691 -1.299 1.00 0.00 N ATOM 1399 CA MET A 85 88.698 -2.765 -0.279 1.00 0.00 C ATOM 1400 C MET A 85 87.363 -3.475 -0.479 1.00 0.00 C ATOM 1401 O MET A 85 87.252 -4.674 -0.323 1.00 0.00 O ATOM 1402 CB MET A 85 88.749 -2.147 1.117 1.00 0.00 C ATOM 1403 CG MET A 85 89.777 -1.015 1.129 1.00 0.00 C ATOM 1404 SD MET A 85 91.314 -1.576 0.349 1.00 0.00 S ATOM 1405 CE MET A 85 91.937 0.060 -0.093 1.00 0.00 C ATOM 0 H MET A 85 88.455 -0.782 -1.025 1.00 0.00 H new ATOM 0 HA MET A 85 89.514 -3.481 -0.384 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.767 -1.765 1.395 1.00 0.00 H new ATOM 0 HB3 MET A 85 89.016 -2.905 1.854 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.384 -0.148 0.598 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.972 -0.699 2.154 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.329 0.038 -1.110 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.127 0.787 -0.032 1.00 0.00 H new ATOM 0 HE3 MET A 85 92.732 0.345 0.596 1.00 0.00 H new ATOM 1415 N ASN A 86 86.347 -2.741 -0.836 1.00 0.00 N ATOM 1416 CA ASN A 86 85.019 -3.370 -1.060 1.00 0.00 C ATOM 1417 C ASN A 86 84.979 -3.966 -2.469 1.00 0.00 C ATOM 1418 O ASN A 86 83.943 -4.388 -2.944 1.00 0.00 O ATOM 1419 CB ASN A 86 83.917 -2.315 -0.922 1.00 0.00 C ATOM 1420 CG ASN A 86 83.752 -1.935 0.550 1.00 0.00 C ATOM 1421 OD1 ASN A 86 84.120 -2.689 1.430 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.208 -0.789 0.857 1.00 0.00 N ATOM 0 H ASN A 86 86.380 -1.732 -0.982 1.00 0.00 H new ATOM 0 HA ASN A 86 84.858 -4.155 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 86 84.169 -1.432 -1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 86 82.977 -2.702 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 86 83.091 -0.526 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 86 82.899 -0.157 0.118 1.00 0.00 H new ATOM 1429 N SER A 87 86.098 -3.998 -3.143 1.00 0.00 N ATOM 1430 CA SER A 87 86.119 -4.561 -4.519 1.00 0.00 C ATOM 1431 C SER A 87 86.903 -5.864 -4.533 1.00 0.00 C ATOM 1432 O SER A 87 87.036 -6.514 -3.523 1.00 0.00 O ATOM 1433 CB SER A 87 86.765 -3.558 -5.473 1.00 0.00 C ATOM 1434 OG SER A 87 85.961 -3.431 -6.637 1.00 0.00 O ATOM 0 H SER A 87 86.996 -3.658 -2.798 1.00 0.00 H new ATOM 0 HA SER A 87 85.097 -4.758 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 87 86.871 -2.590 -4.983 1.00 0.00 H new ATOM 0 HB3 SER A 87 87.767 -3.890 -5.744 1.00 0.00 H new ATOM 0 HG SER A 87 86.372 -2.787 -7.250 1.00 0.00 H new ATOM 1440 N LEU A 88 87.407 -6.234 -5.685 1.00 0.00 N ATOM 1441 CA LEU A 88 88.186 -7.504 -5.829 1.00 0.00 C ATOM 1442 C LEU A 88 87.672 -8.569 -4.843 1.00 0.00 C ATOM 1443 O LEU A 88 87.962 -8.519 -3.667 1.00 0.00 O ATOM 1444 CB LEU A 88 89.674 -7.243 -5.556 1.00 0.00 C ATOM 1445 CG LEU A 88 89.932 -5.745 -5.361 1.00 0.00 C ATOM 1446 CD1 LEU A 88 89.598 -5.337 -3.920 1.00 0.00 C ATOM 1447 CD2 LEU A 88 91.402 -5.452 -5.645 1.00 0.00 C ATOM 0 H LEU A 88 87.309 -5.699 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 88 88.058 -7.868 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 88 89.988 -7.790 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 88 90.273 -7.615 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 88 89.301 -5.177 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 88 89.785 -4.271 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 88 88.549 -5.549 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.223 -5.901 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 88 91.594 -4.388 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.026 -6.024 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 88 91.638 -5.734 -6.671 1.00 0.00 H new ATOM 1459 N PRO A 89 86.930 -9.518 -5.355 1.00 0.00 N ATOM 1460 CA PRO A 89 86.365 -10.607 -4.533 1.00 0.00 C ATOM 1461 C PRO A 89 87.450 -11.594 -4.079 1.00 0.00 C ATOM 1462 O PRO A 89 87.153 -12.663 -3.583 1.00 0.00 O ATOM 1463 CB PRO A 89 85.348 -11.274 -5.466 1.00 0.00 C ATOM 1464 CG PRO A 89 85.769 -10.901 -6.905 1.00 0.00 C ATOM 1465 CD PRO A 89 86.602 -9.611 -6.794 1.00 0.00 C ATOM 0 HA PRO A 89 85.913 -10.245 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 89 85.346 -12.355 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 89 84.338 -10.924 -5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 89 86.352 -11.702 -7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 89 84.895 -10.746 -7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 89 87.503 -9.664 -7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 89 86.038 -8.742 -7.132 1.00 0.00 H new ATOM 1473 N ASP A 90 88.701 -11.248 -4.230 1.00 0.00 N ATOM 1474 CA ASP A 90 89.785 -12.167 -3.793 1.00 0.00 C ATOM 1475 C ASP A 90 90.451 -11.600 -2.533 1.00 0.00 C ATOM 1476 O ASP A 90 91.320 -12.221 -1.950 1.00 0.00 O ATOM 1477 CB ASP A 90 90.837 -12.314 -4.902 1.00 0.00 C ATOM 1478 CG ASP A 90 90.308 -11.737 -6.220 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.459 -10.545 -6.425 1.00 0.00 O ATOM 1480 OD2 ASP A 90 89.761 -12.500 -7.000 1.00 0.00 O ATOM 0 H ASP A 90 89.016 -10.368 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 90 89.357 -13.146 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 90 91.753 -11.799 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 90 91.091 -13.366 -5.034 1.00 0.00 H new ATOM 1485 N ILE A 91 90.051 -10.427 -2.103 1.00 0.00 N ATOM 1486 CA ILE A 91 90.664 -9.835 -0.877 1.00 0.00 C ATOM 1487 C ILE A 91 89.813 -10.226 0.337 1.00 0.00 C ATOM 1488 O ILE A 91 88.600 -10.148 0.306 1.00 0.00 O ATOM 1489 CB ILE A 91 90.771 -8.287 -1.005 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.892 -7.571 0.046 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.333 -7.829 -2.398 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.646 -6.114 -0.368 1.00 0.00 C ATOM 0 H ILE A 91 89.330 -9.858 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 91 91.675 -10.221 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 91 91.816 -8.025 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.940 -8.092 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 91 90.380 -7.602 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.415 -6.744 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 91 90.973 -8.290 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.299 -8.126 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 91 89.026 -5.623 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.600 -5.593 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.138 -6.091 -1.332 1.00 0.00 H new ATOM 1504 N GLU A 92 90.436 -10.636 1.404 1.00 0.00 N ATOM 1505 CA GLU A 92 89.652 -11.018 2.613 1.00 0.00 C ATOM 1506 C GLU A 92 90.021 -10.092 3.770 1.00 0.00 C ATOM 1507 O GLU A 92 91.066 -10.216 4.375 1.00 0.00 O ATOM 1508 CB GLU A 92 89.954 -12.468 2.989 1.00 0.00 C ATOM 1509 CG GLU A 92 88.706 -13.323 2.763 1.00 0.00 C ATOM 1510 CD GLU A 92 88.792 -13.999 1.393 1.00 0.00 C ATOM 1511 OE1 GLU A 92 88.493 -13.342 0.410 1.00 0.00 O ATOM 1512 OE2 GLU A 92 89.157 -15.163 1.350 1.00 0.00 O ATOM 0 H GLU A 92 91.448 -10.724 1.493 1.00 0.00 H new ATOM 0 HA GLU A 92 88.587 -10.923 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.781 -12.846 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.265 -12.527 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.621 -14.075 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 92 87.812 -12.702 2.819 1.00 0.00 H new ATOM 1519 N GLU A 93 89.168 -9.156 4.074 1.00 0.00 N ATOM 1520 CA GLU A 93 89.466 -8.207 5.180 1.00 0.00 C ATOM 1521 C GLU A 93 89.293 -8.889 6.535 1.00 0.00 C ATOM 1522 O GLU A 93 88.289 -9.516 6.809 1.00 0.00 O ATOM 1523 CB GLU A 93 88.518 -7.012 5.086 1.00 0.00 C ATOM 1524 CG GLU A 93 87.070 -7.506 5.117 1.00 0.00 C ATOM 1525 CD GLU A 93 86.293 -6.758 6.202 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.507 -5.565 6.339 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.496 -7.391 6.874 1.00 0.00 O ATOM 0 H GLU A 93 88.275 -9.007 3.603 1.00 0.00 H new ATOM 0 HA GLU A 93 90.499 -7.872 5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.697 -6.326 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.705 -6.457 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.601 -7.348 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.045 -8.578 5.312 1.00 0.00 H new ATOM 1534 N VAL A 94 90.270 -8.759 7.389 1.00 0.00 N ATOM 1535 CA VAL A 94 90.180 -9.382 8.735 1.00 0.00 C ATOM 1536 C VAL A 94 91.018 -8.564 9.720 1.00 0.00 C ATOM 1537 O VAL A 94 92.235 -8.588 9.688 1.00 0.00 O ATOM 1538 CB VAL A 94 90.712 -10.814 8.668 1.00 0.00 C ATOM 1539 CG1 VAL A 94 90.886 -11.365 10.084 1.00 0.00 C ATOM 1540 CG2 VAL A 94 89.717 -11.687 7.900 1.00 0.00 C ATOM 0 H VAL A 94 91.132 -8.244 7.209 1.00 0.00 H new ATOM 0 HA VAL A 94 89.142 -9.401 9.067 1.00 0.00 H new ATOM 0 HB VAL A 94 91.675 -10.820 8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.265 -12.386 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.593 -10.742 10.632 1.00 0.00 H new ATOM 0 HG13 VAL A 94 89.924 -11.360 10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 94 90.093 -12.709 7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 94 88.755 -11.679 8.412 1.00 0.00 H new ATOM 0 HG23 VAL A 94 89.594 -11.296 6.890 1.00 0.00 H new ATOM 1550 N LYS A 95 90.379 -7.832 10.590 1.00 0.00 N ATOM 1551 CA LYS A 95 91.141 -7.013 11.572 1.00 0.00 C ATOM 1552 C LYS A 95 91.314 -7.804 12.861 1.00 0.00 C ATOM 1553 O LYS A 95 91.526 -7.250 13.923 1.00 0.00 O ATOM 1554 CB LYS A 95 90.378 -5.720 11.862 1.00 0.00 C ATOM 1555 CG LYS A 95 89.154 -6.038 12.727 1.00 0.00 C ATOM 1556 CD LYS A 95 88.269 -4.796 12.842 1.00 0.00 C ATOM 1557 CE LYS A 95 86.892 -5.096 12.246 1.00 0.00 C ATOM 1558 NZ LYS A 95 86.824 -4.555 10.860 1.00 0.00 N ATOM 0 H LYS A 95 89.364 -7.766 10.663 1.00 0.00 H new ATOM 0 HA LYS A 95 92.120 -6.768 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 95 91.026 -5.009 12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 95 90.066 -5.251 10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 95 88.589 -6.860 12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 95 89.471 -6.364 13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 95 88.169 -4.503 13.887 1.00 0.00 H new ATOM 0 HD3 LYS A 95 88.729 -3.958 12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 95 86.714 -6.171 12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 95 86.112 -4.648 12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 85.889 -4.758 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 86.976 -3.526 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 87.560 -5.002 10.276 1.00 0.00 H new ATOM 1727 N PHE A 106 95.158 -3.890 12.653 1.00 0.00 N ATOM 1728 CA PHE A 106 95.030 -3.367 11.263 1.00 0.00 C ATOM 1729 C PHE A 106 94.028 -4.221 10.486 1.00 0.00 C ATOM 1730 O PHE A 106 93.685 -5.319 10.880 1.00 0.00 O ATOM 1731 CB PHE A 106 96.374 -3.428 10.526 1.00 0.00 C ATOM 1732 CG PHE A 106 97.491 -3.797 11.459 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.693 -5.133 11.811 1.00 0.00 C ATOM 1734 CD2 PHE A 106 98.336 -2.802 11.954 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.743 -5.475 12.665 1.00 0.00 C ATOM 1736 CE2 PHE A 106 99.388 -3.141 12.805 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.594 -4.480 13.164 1.00 0.00 C ATOM 0 HA PHE A 106 94.696 -2.331 11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 106 96.316 -4.158 9.718 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.584 -2.462 10.068 1.00 0.00 H new ATOM 0 HD1 PHE A 106 97.039 -5.900 11.424 1.00 0.00 H new ATOM 0 HD2 PHE A 106 98.175 -1.770 11.678 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.899 -6.507 12.941 1.00 0.00 H new ATOM 0 HE2 PHE A 106 100.043 -2.372 13.187 1.00 0.00 H new ATOM 0 HZ PHE A 106 100.407 -4.744 13.824 1.00 0.00 H new ATOM 1747 N ARG A 107 93.593 -3.733 9.362 1.00 0.00 N ATOM 1748 CA ARG A 107 92.651 -4.509 8.512 1.00 0.00 C ATOM 1749 C ARG A 107 93.497 -5.456 7.660 1.00 0.00 C ATOM 1750 O ARG A 107 94.010 -5.084 6.620 1.00 0.00 O ATOM 1751 CB ARG A 107 91.862 -3.543 7.618 1.00 0.00 C ATOM 1752 CG ARG A 107 90.364 -3.802 7.745 1.00 0.00 C ATOM 1753 CD ARG A 107 89.620 -3.036 6.652 1.00 0.00 C ATOM 1754 NE ARG A 107 89.483 -1.610 7.064 1.00 0.00 N ATOM 1755 CZ ARG A 107 88.540 -0.861 6.555 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.706 -1.353 5.679 1.00 0.00 N ATOM 1757 NH2 ARG A 107 88.427 0.384 6.930 1.00 0.00 N ATOM 0 H ARG A 107 93.852 -2.819 8.991 1.00 0.00 H new ATOM 0 HA ARG A 107 91.938 -5.073 9.114 1.00 0.00 H new ATOM 0 HB2 ARG A 107 92.084 -2.514 7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 107 92.171 -3.664 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 107 90.160 -4.869 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 107 90.012 -3.488 8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 107 90.162 -3.105 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 107 88.637 -3.476 6.487 1.00 0.00 H new ATOM 0 HE ARG A 107 90.129 -1.216 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 107 87.788 -2.327 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 107 86.973 -0.763 5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 107 89.073 0.770 7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 107 87.692 0.971 6.535 1.00 0.00 H new ATOM 1771 N VAL A 108 93.690 -6.663 8.120 1.00 0.00 N ATOM 1772 CA VAL A 108 94.542 -7.617 7.363 1.00 0.00 C ATOM 1773 C VAL A 108 93.760 -8.203 6.191 1.00 0.00 C ATOM 1774 O VAL A 108 92.833 -8.970 6.361 1.00 0.00 O ATOM 1775 CB VAL A 108 95.010 -8.734 8.294 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.236 -9.412 7.690 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.392 -8.135 9.647 1.00 0.00 C ATOM 0 H VAL A 108 93.294 -7.027 8.987 1.00 0.00 H new ATOM 0 HA VAL A 108 95.412 -7.089 6.972 1.00 0.00 H new ATOM 0 HB VAL A 108 94.209 -9.462 8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.573 -10.210 8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.978 -9.831 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 108 97.034 -8.680 7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.727 -8.929 10.315 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.196 -7.412 9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.526 -7.636 10.082 1.00 0.00 H new ATOM 1787 N TYR A 109 94.132 -7.837 4.996 1.00 0.00 N ATOM 1788 CA TYR A 109 93.424 -8.354 3.797 1.00 0.00 C ATOM 1789 C TYR A 109 94.168 -9.564 3.235 1.00 0.00 C ATOM 1790 O TYR A 109 95.381 -9.574 3.136 1.00 0.00 O ATOM 1791 CB TYR A 109 93.370 -7.261 2.730 1.00 0.00 C ATOM 1792 CG TYR A 109 92.192 -6.357 2.992 1.00 0.00 C ATOM 1793 CD1 TYR A 109 91.764 -6.126 4.302 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.530 -5.749 1.920 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.671 -5.286 4.543 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.439 -4.907 2.160 1.00 0.00 C ATOM 1797 CZ TYR A 109 90.008 -4.676 3.473 1.00 0.00 C ATOM 1798 OH TYR A 109 88.932 -3.845 3.711 1.00 0.00 O ATOM 0 H TYR A 109 94.902 -7.197 4.800 1.00 0.00 H new ATOM 0 HA TYR A 109 92.413 -8.649 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.294 -6.683 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.285 -7.709 1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.277 -6.596 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 109 91.861 -5.930 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.339 -5.109 5.555 1.00 0.00 H new ATOM 0 HE2 TYR A 109 89.929 -4.435 1.333 1.00 0.00 H new ATOM 0 HH TYR A 109 88.137 -4.202 3.262 1.00 0.00 H new ATOM 1808 N ARG A 110 93.447 -10.579 2.855 1.00 0.00 N ATOM 1809 CA ARG A 110 94.092 -11.787 2.288 1.00 0.00 C ATOM 1810 C ARG A 110 93.712 -11.897 0.811 1.00 0.00 C ATOM 1811 O ARG A 110 92.572 -12.146 0.473 1.00 0.00 O ATOM 1812 CB ARG A 110 93.593 -13.021 3.042 1.00 0.00 C ATOM 1813 CG ARG A 110 94.442 -14.230 2.657 1.00 0.00 C ATOM 1814 CD ARG A 110 93.625 -15.510 2.844 1.00 0.00 C ATOM 1815 NE ARG A 110 93.884 -16.074 4.199 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.241 -17.138 4.599 1.00 0.00 C ATOM 1817 NH1 ARG A 110 92.367 -17.711 3.815 1.00 0.00 N ATOM 1818 NH2 ARG A 110 93.471 -17.631 5.786 1.00 0.00 N ATOM 0 H ARG A 110 92.430 -10.621 2.915 1.00 0.00 H new ATOM 0 HA ARG A 110 95.176 -11.719 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 110 93.649 -12.851 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 110 92.546 -13.208 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 110 94.768 -14.143 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.341 -14.267 3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 110 92.563 -15.296 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 110 93.891 -16.239 2.078 1.00 0.00 H new ATOM 0 HE ARG A 110 94.564 -15.628 4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 110 92.185 -17.327 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 110 91.866 -18.542 4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 110 94.152 -17.185 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 110 92.969 -18.462 6.099 1.00 0.00 H new ATOM 1832 N MET A 111 94.654 -11.704 -0.071 1.00 0.00 N ATOM 1833 CA MET A 111 94.342 -11.795 -1.525 1.00 0.00 C ATOM 1834 C MET A 111 94.621 -13.217 -2.010 1.00 0.00 C ATOM 1835 O MET A 111 95.689 -13.754 -1.802 1.00 0.00 O ATOM 1836 CB MET A 111 95.221 -10.809 -2.299 1.00 0.00 C ATOM 1837 CG MET A 111 94.804 -9.376 -1.963 1.00 0.00 C ATOM 1838 SD MET A 111 94.643 -8.418 -3.491 1.00 0.00 S ATOM 1839 CE MET A 111 96.398 -8.025 -3.697 1.00 0.00 C ATOM 0 H MET A 111 95.625 -11.487 0.152 1.00 0.00 H new ATOM 0 HA MET A 111 93.293 -11.550 -1.691 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.269 -10.963 -2.043 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.125 -10.985 -3.370 1.00 0.00 H new ATOM 0 HG2 MET A 111 93.858 -9.379 -1.422 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.544 -8.915 -1.309 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.533 -7.426 -4.598 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.749 -7.463 -2.831 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.970 -8.949 -3.786 1.00 0.00 H new ATOM 1849 N LEU A 112 93.668 -13.836 -2.650 1.00 0.00 N ATOM 1850 CA LEU A 112 93.889 -15.227 -3.137 1.00 0.00 C ATOM 1851 C LEU A 112 94.955 -15.253 -4.248 1.00 0.00 C ATOM 1852 O LEU A 112 95.825 -16.101 -4.231 1.00 0.00 O ATOM 1853 CB LEU A 112 92.570 -15.811 -3.652 1.00 0.00 C ATOM 1854 CG LEU A 112 91.604 -15.978 -2.479 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.213 -16.330 -3.008 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.103 -17.100 -1.567 1.00 0.00 C ATOM 0 H LEU A 112 92.750 -13.442 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 112 94.249 -15.835 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.136 -15.153 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.747 -16.773 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 112 91.551 -15.047 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.525 -16.449 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.858 -15.531 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.263 -17.262 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.416 -17.221 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 112 92.155 -18.031 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.094 -16.848 -1.189 1.00 0.00 H new ATOM 1868 N PRO A 113 94.868 -14.333 -5.183 1.00 0.00 N ATOM 1869 CA PRO A 113 95.829 -14.256 -6.298 1.00 0.00 C ATOM 1870 C PRO A 113 97.134 -13.598 -5.841 1.00 0.00 C ATOM 1871 O PRO A 113 97.068 -12.730 -4.987 1.00 0.00 O ATOM 1872 CB PRO A 113 95.116 -13.391 -7.334 1.00 0.00 C ATOM 1873 CG PRO A 113 94.067 -12.568 -6.561 1.00 0.00 C ATOM 1874 CD PRO A 113 93.821 -13.296 -5.227 1.00 0.00 C ATOM 1875 OXT PRO A 113 98.175 -13.974 -6.353 1.00 0.00 O ATOM 0 HA PRO A 113 96.106 -15.235 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 113 95.822 -12.738 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 113 94.641 -14.009 -8.096 1.00 0.00 H new ATOM 0 HG2 PRO A 113 94.424 -11.553 -6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 113 93.142 -12.487 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 113 93.900 -12.614 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 113 92.824 -13.735 -5.191 1.00 0.00 H new