USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 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 41 THR OG1 : rot -91:sc= 0.33 USER MOD Set 1.2: A 48 GLN :FLIP amide:sc= -1.17! F(o=-2.4,f=-0.84!) USER MOD Set 2.1: A 17 GLN : amide:sc= 1.04 K(o=2,f=-4.8!) USER MOD Set 2.2: A 19 TYR OH : rot -67:sc= 0.923 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 40:sc= 0.259 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0785 F(o=-1.6,f=-0.078) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 0.49 (180deg=0.432) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -114:sc= -0.399 (180deg=-2.01!) USER MOD Single : A 62 ASN : amide:sc= -1.12! C(o=-1.1!,f=-12!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -5.28! C(o=-5.3!,f=-8!) USER MOD Single : A 75 THR OG1 : rot 6:sc= -3.19 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -158:sc= -3.44 (180deg=-5!) USER MOD Single : A 80 MET CE :methyl -148:sc= -0.0795 (180deg=-0.657) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0688 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 8.241 9.754 -3.322 1.00 0.00 N ATOM 67 CA LEU A 8 7.761 9.431 -1.989 1.00 0.00 C ATOM 68 C LEU A 8 7.888 7.925 -1.756 1.00 0.00 C ATOM 69 O LEU A 8 7.200 7.134 -2.401 1.00 0.00 O ATOM 70 CB LEU A 8 6.343 9.968 -1.785 1.00 0.00 C ATOM 71 CG LEU A 8 6.077 10.673 -0.454 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.551 12.127 -0.499 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.603 10.563 -0.060 1.00 0.00 C ATOM 0 HA LEU A 8 8.375 9.923 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.120 10.665 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.644 9.137 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 8 6.656 10.169 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.350 12.605 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.622 12.155 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.019 12.659 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.441 11.073 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.985 11.026 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.331 9.512 0.041 1.00 0.00 H new ATOM 85 N PRO A 9 8.794 7.563 -0.810 1.00 0.00 N ATOM 86 CA PRO A 9 9.020 6.165 -0.484 1.00 0.00 C ATOM 87 C PRO A 9 7.869 5.605 0.355 1.00 0.00 C ATOM 88 O PRO A 9 7.332 6.297 1.218 1.00 0.00 O ATOM 89 CB PRO A 9 10.353 6.141 0.245 1.00 0.00 C ATOM 90 CG PRO A 9 10.600 7.567 0.710 1.00 0.00 C ATOM 91 CD PRO A 9 9.626 8.472 -0.027 1.00 0.00 C ATOM 0 HA PRO A 9 9.053 5.527 -1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.323 5.454 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.152 5.801 -0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.456 7.648 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.628 7.864 0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.026 9.058 0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.151 9.180 -0.668 1.00 0.00 H new ATOM 99 N ILE A 10 7.525 4.357 0.071 1.00 0.00 N ATOM 100 CA ILE A 10 6.449 3.696 0.789 1.00 0.00 C ATOM 101 C ILE A 10 6.823 2.232 1.026 1.00 0.00 C ATOM 102 O ILE A 10 6.933 1.454 0.079 1.00 0.00 O ATOM 103 CB ILE A 10 5.121 3.880 0.050 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.708 5.353 0.022 1.00 0.00 C ATOM 105 CG2 ILE A 10 4.031 2.991 0.652 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.541 5.577 -0.941 1.00 0.00 C ATOM 0 H ILE A 10 7.973 3.787 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 10 6.309 4.151 1.769 1.00 0.00 H new ATOM 0 HB ILE A 10 5.259 3.565 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.424 5.674 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.557 5.967 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.098 3.141 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.331 1.946 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.886 3.252 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.267 6.632 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.837 5.278 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.686 4.981 -0.622 1.00 0.00 H new ATOM 118 N ILE A 11 7.009 1.900 2.295 1.00 0.00 N ATOM 119 CA ILE A 11 7.369 0.543 2.668 1.00 0.00 C ATOM 120 C ILE A 11 6.101 -0.236 3.028 1.00 0.00 C ATOM 121 O ILE A 11 5.201 0.300 3.672 1.00 0.00 O ATOM 122 CB ILE A 11 8.420 0.554 3.780 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.652 1.359 3.362 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.783 -0.870 4.205 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.595 1.573 4.548 1.00 0.00 C ATOM 0 H ILE A 11 6.917 2.547 3.078 1.00 0.00 H new ATOM 0 HA ILE A 11 7.833 0.027 1.827 1.00 0.00 H new ATOM 0 HB ILE A 11 7.991 1.050 4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.179 0.836 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.342 2.324 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.532 -0.834 4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.891 -1.379 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.185 -1.414 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.463 2.148 4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.072 2.117 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.923 0.607 4.931 1.00 0.00 H new ATOM 137 N VAL A 12 6.072 -1.488 2.595 1.00 0.00 N ATOM 138 CA VAL A 12 4.930 -2.345 2.863 1.00 0.00 C ATOM 139 C VAL A 12 5.391 -3.566 3.662 1.00 0.00 C ATOM 140 O VAL A 12 6.546 -3.978 3.562 1.00 0.00 O ATOM 141 CB VAL A 12 4.235 -2.716 1.552 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.813 -3.221 1.808 1.00 0.00 C ATOM 143 CG2 VAL A 12 4.230 -1.534 0.581 1.00 0.00 C ATOM 0 H VAL A 12 6.821 -1.929 2.061 1.00 0.00 H new ATOM 0 HA VAL A 12 4.192 -1.820 3.469 1.00 0.00 H new ATOM 0 HB VAL A 12 4.800 -3.526 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.342 -3.478 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.850 -4.104 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.233 -2.441 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.730 -1.824 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.700 -0.695 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.256 -1.239 0.361 1.00 0.00 H new ATOM 153 N LYS A 13 4.464 -4.111 4.436 1.00 0.00 N ATOM 154 CA LYS A 13 4.761 -5.277 5.252 1.00 0.00 C ATOM 155 C LYS A 13 3.653 -6.316 5.069 1.00 0.00 C ATOM 156 O LYS A 13 2.505 -6.076 5.438 1.00 0.00 O ATOM 157 CB LYS A 13 4.987 -4.868 6.708 1.00 0.00 C ATOM 158 CG LYS A 13 6.314 -4.124 6.870 1.00 0.00 C ATOM 159 CD LYS A 13 6.788 -4.156 8.324 1.00 0.00 C ATOM 160 CE LYS A 13 7.234 -5.563 8.725 1.00 0.00 C ATOM 161 NZ LYS A 13 6.455 -6.042 9.889 1.00 0.00 N ATOM 0 H LYS A 13 3.507 -3.767 4.516 1.00 0.00 H new ATOM 0 HA LYS A 13 5.692 -5.743 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.167 -4.233 7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.983 -5.754 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.069 -4.577 6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.197 -3.090 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.614 -3.457 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.983 -3.825 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.102 -6.246 7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.297 -5.559 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.771 -6.999 10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.602 -5.399 10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.444 -6.065 9.645 1.00 0.00 H new ATOM 175 N TRP A 14 4.037 -7.450 4.500 1.00 0.00 N ATOM 176 CA TRP A 14 3.091 -8.527 4.265 1.00 0.00 C ATOM 177 C TRP A 14 3.515 -9.724 5.119 1.00 0.00 C ATOM 178 O TRP A 14 4.520 -10.371 4.831 1.00 0.00 O ATOM 179 CB TRP A 14 2.999 -8.859 2.774 1.00 0.00 C ATOM 180 CG TRP A 14 1.963 -9.934 2.439 1.00 0.00 C ATOM 181 CD1 TRP A 14 0.824 -10.213 3.088 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.018 -10.868 1.340 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.144 -11.255 2.491 1.00 0.00 N ATOM 184 CE2 TRP A 14 0.892 -11.666 1.394 1.00 0.00 C ATOM 185 CE3 TRP A 14 2.986 -11.034 0.335 1.00 0.00 C ATOM 186 CZ2 TRP A 14 0.630 -12.684 0.470 1.00 0.00 C ATOM 187 CZ3 TRP A 14 2.708 -12.056 -0.581 1.00 0.00 C ATOM 188 CH2 TRP A 14 1.580 -12.867 -0.541 1.00 0.00 C ATOM 0 H TRP A 14 4.990 -7.646 4.195 1.00 0.00 H new ATOM 0 HA TRP A 14 2.085 -8.228 4.560 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.755 -7.950 2.224 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.977 -9.190 2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.481 -9.688 3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.744 -11.651 2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 14 3.874 -10.422 0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.258 -13.296 0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.420 -12.226 -1.375 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.437 -13.635 -1.287 1.00 0.00 H new ATOM 199 N GLY A 15 2.727 -9.981 6.152 1.00 0.00 N ATOM 200 CA GLY A 15 3.008 -11.088 7.050 1.00 0.00 C ATOM 201 C GLY A 15 4.396 -10.947 7.677 1.00 0.00 C ATOM 202 O GLY A 15 4.539 -10.368 8.753 1.00 0.00 O ATOM 0 H GLY A 15 1.894 -9.442 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.253 -11.125 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.946 -12.029 6.503 1.00 0.00 H new ATOM 206 N GLY A 16 5.384 -11.485 6.978 1.00 0.00 N ATOM 207 CA GLY A 16 6.756 -11.427 7.452 1.00 0.00 C ATOM 208 C GLY A 16 7.702 -10.973 6.339 1.00 0.00 C ATOM 209 O GLY A 16 8.886 -11.307 6.351 1.00 0.00 O ATOM 0 H GLY A 16 5.261 -11.964 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.824 -10.740 8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.061 -12.408 7.815 1.00 0.00 H new ATOM 213 N GLN A 17 7.145 -10.219 5.403 1.00 0.00 N ATOM 214 CA GLN A 17 7.925 -9.717 4.285 1.00 0.00 C ATOM 215 C GLN A 17 7.815 -8.193 4.203 1.00 0.00 C ATOM 216 O GLN A 17 6.748 -7.630 4.445 1.00 0.00 O ATOM 217 CB GLN A 17 7.485 -10.369 2.972 1.00 0.00 C ATOM 218 CG GLN A 17 8.207 -11.700 2.753 1.00 0.00 C ATOM 219 CD GLN A 17 7.810 -12.325 1.414 1.00 0.00 C ATOM 220 OE1 GLN A 17 7.419 -11.649 0.476 1.00 0.00 O ATOM 221 NE2 GLN A 17 7.931 -13.649 1.377 1.00 0.00 N ATOM 0 H GLN A 17 6.163 -9.944 5.396 1.00 0.00 H new ATOM 0 HA GLN A 17 8.970 -9.979 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.408 -10.534 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.694 -9.697 2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.285 -11.542 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.966 -12.386 3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.265 -14.154 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.690 -14.160 0.527 1.00 0.00 H new ATOM 230 N GLU A 18 8.932 -7.568 3.862 1.00 0.00 N ATOM 231 CA GLU A 18 8.975 -6.120 3.746 1.00 0.00 C ATOM 232 C GLU A 18 9.261 -5.712 2.299 1.00 0.00 C ATOM 233 O GLU A 18 10.105 -6.314 1.636 1.00 0.00 O ATOM 234 CB GLU A 18 10.012 -5.524 4.699 1.00 0.00 C ATOM 235 CG GLU A 18 9.693 -5.884 6.151 1.00 0.00 C ATOM 236 CD GLU A 18 10.946 -5.798 7.026 1.00 0.00 C ATOM 237 OE1 GLU A 18 11.783 -6.719 6.911 1.00 0.00 O ATOM 238 OE2 GLU A 18 11.038 -4.813 7.789 1.00 0.00 O ATOM 0 H GLU A 18 9.815 -8.038 3.662 1.00 0.00 H new ATOM 0 HA GLU A 18 8.000 -5.723 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.004 -5.892 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.035 -4.440 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.929 -5.210 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.281 -6.892 6.197 1.00 0.00 H new ATOM 245 N TYR A 19 8.543 -4.693 1.852 1.00 0.00 N ATOM 246 CA TYR A 19 8.709 -4.197 0.496 1.00 0.00 C ATOM 247 C TYR A 19 8.960 -2.688 0.491 1.00 0.00 C ATOM 248 O TYR A 19 8.436 -1.965 1.337 1.00 0.00 O ATOM 249 CB TYR A 19 7.390 -4.485 -0.223 1.00 0.00 C ATOM 250 CG TYR A 19 7.078 -5.975 -0.378 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.558 -6.686 0.684 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.317 -6.608 -1.581 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.265 -8.088 0.538 1.00 0.00 C ATOM 254 CE2 TYR A 19 7.024 -8.011 -1.728 1.00 0.00 C ATOM 255 CZ TYR A 19 6.512 -8.681 -0.661 1.00 0.00 C ATOM 256 OH TYR A 19 6.236 -10.006 -0.799 1.00 0.00 O ATOM 0 H TYR A 19 7.844 -4.197 2.405 1.00 0.00 H new ATOM 0 HA TYR A 19 9.561 -4.676 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.577 -4.009 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.419 -4.026 -1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.371 -6.191 1.625 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.724 -6.051 -2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.858 -8.656 1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.207 -8.519 -2.664 1.00 0.00 H new ATOM 0 HH TYR A 19 6.847 -10.528 -0.238 1.00 0.00 H new ATOM 266 N SER A 20 9.761 -2.257 -0.472 1.00 0.00 N ATOM 267 CA SER A 20 10.088 -0.847 -0.599 1.00 0.00 C ATOM 268 C SER A 20 9.567 -0.307 -1.932 1.00 0.00 C ATOM 269 O SER A 20 9.978 -0.767 -2.996 1.00 0.00 O ATOM 270 CB SER A 20 11.596 -0.619 -0.487 1.00 0.00 C ATOM 271 OG SER A 20 12.327 -1.420 -1.411 1.00 0.00 O ATOM 0 H SER A 20 10.193 -2.860 -1.172 1.00 0.00 H new ATOM 0 HA SER A 20 9.605 -0.309 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.818 0.433 -0.665 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.923 -0.847 0.528 1.00 0.00 H new ATOM 0 HG SER A 20 11.856 -1.441 -2.270 1.00 0.00 H new ATOM 277 N VAL A 21 8.669 0.663 -1.831 1.00 0.00 N ATOM 278 CA VAL A 21 8.088 1.270 -3.016 1.00 0.00 C ATOM 279 C VAL A 21 8.641 2.687 -3.181 1.00 0.00 C ATOM 280 O VAL A 21 8.344 3.571 -2.379 1.00 0.00 O ATOM 281 CB VAL A 21 6.561 1.232 -2.928 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.924 1.812 -4.192 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.062 -0.191 -2.667 1.00 0.00 C ATOM 0 H VAL A 21 8.330 1.043 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 21 8.364 0.707 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 21 6.259 1.853 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.838 1.773 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.241 2.847 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.238 1.229 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.974 -0.190 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.381 -0.843 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.475 -0.555 -1.726 1.00 0.00 H new ATOM 293 N THR A 22 9.437 2.859 -4.226 1.00 0.00 N ATOM 294 CA THR A 22 10.035 4.153 -4.507 1.00 0.00 C ATOM 295 C THR A 22 10.082 4.403 -6.016 1.00 0.00 C ATOM 296 O THR A 22 11.035 4.994 -6.521 1.00 0.00 O ATOM 297 CB THR A 22 11.412 4.192 -3.841 1.00 0.00 C ATOM 298 OG1 THR A 22 12.084 3.051 -4.367 1.00 0.00 O ATOM 299 CG2 THR A 22 11.342 3.924 -2.337 1.00 0.00 C ATOM 0 H THR A 22 9.682 2.123 -4.889 1.00 0.00 H new ATOM 0 HA THR A 22 9.435 4.964 -4.094 1.00 0.00 H new ATOM 0 HB THR A 22 11.872 5.165 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.987 3.000 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.346 3.963 -1.913 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.718 4.680 -1.861 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.913 2.937 -2.163 1.00 0.00 H new ATOM 307 N THR A 23 9.041 3.941 -6.693 1.00 0.00 N ATOM 308 CA THR A 23 8.951 4.108 -8.133 1.00 0.00 C ATOM 309 C THR A 23 7.903 5.166 -8.484 1.00 0.00 C ATOM 310 O THR A 23 8.100 5.959 -9.404 1.00 0.00 O ATOM 311 CB THR A 23 8.662 2.738 -8.750 1.00 0.00 C ATOM 312 OG1 THR A 23 9.875 2.012 -8.570 1.00 0.00 O ATOM 313 CG2 THR A 23 8.488 2.804 -10.269 1.00 0.00 C ATOM 0 H THR A 23 8.253 3.451 -6.270 1.00 0.00 H new ATOM 0 HA THR A 23 9.889 4.476 -8.548 1.00 0.00 H new ATOM 0 HB THR A 23 7.761 2.321 -8.300 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.775 1.110 -8.941 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.285 1.805 -10.656 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.655 3.463 -10.511 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.400 3.190 -10.723 1.00 0.00 H new ATOM 321 N LEU A 24 6.812 5.144 -7.733 1.00 0.00 N ATOM 322 CA LEU A 24 5.733 6.092 -7.953 1.00 0.00 C ATOM 323 C LEU A 24 5.912 7.288 -7.017 1.00 0.00 C ATOM 324 O LEU A 24 6.661 7.213 -6.044 1.00 0.00 O ATOM 325 CB LEU A 24 4.376 5.400 -7.814 1.00 0.00 C ATOM 326 CG LEU A 24 4.255 4.382 -6.678 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.855 4.411 -6.062 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.643 2.980 -7.154 1.00 0.00 C ATOM 0 H LEU A 24 6.652 4.485 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 24 5.766 6.477 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.613 6.165 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.150 4.895 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 24 4.958 4.662 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.796 3.678 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.654 5.405 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.116 4.170 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.548 2.276 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.983 2.676 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.674 2.988 -7.507 1.00 0.00 H new ATOM 340 N SER A 25 5.212 8.365 -7.343 1.00 0.00 N ATOM 341 CA SER A 25 5.284 9.576 -6.543 1.00 0.00 C ATOM 342 C SER A 25 3.875 10.102 -6.263 1.00 0.00 C ATOM 343 O SER A 25 2.890 9.524 -6.720 1.00 0.00 O ATOM 344 CB SER A 25 6.122 10.648 -7.242 1.00 0.00 C ATOM 345 OG SER A 25 5.579 11.007 -8.510 1.00 0.00 O ATOM 0 H SER A 25 4.592 8.424 -8.151 1.00 0.00 H new ATOM 0 HA SER A 25 5.769 9.334 -5.597 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.180 11.533 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.141 10.283 -7.374 1.00 0.00 H new ATOM 0 HG SER A 25 6.141 11.695 -8.924 1.00 0.00 H new ATOM 351 N GLU A 26 3.824 11.193 -5.512 1.00 0.00 N ATOM 352 CA GLU A 26 2.552 11.804 -5.165 1.00 0.00 C ATOM 353 C GLU A 26 1.647 11.882 -6.396 1.00 0.00 C ATOM 354 O GLU A 26 0.449 11.618 -6.308 1.00 0.00 O ATOM 355 CB GLU A 26 2.759 13.188 -4.548 1.00 0.00 C ATOM 356 CG GLU A 26 3.559 13.095 -3.247 1.00 0.00 C ATOM 357 CD GLU A 26 3.504 14.414 -2.474 1.00 0.00 C ATOM 358 OE1 GLU A 26 2.377 14.810 -2.105 1.00 0.00 O ATOM 359 OE2 GLU A 26 4.591 14.998 -2.270 1.00 0.00 O ATOM 0 H GLU A 26 4.643 11.669 -5.134 1.00 0.00 H new ATOM 0 HA GLU A 26 2.063 11.179 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.282 13.831 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.792 13.651 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.162 12.290 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.596 12.843 -3.471 1.00 0.00 H new ATOM 366 N ASP A 27 2.256 12.245 -7.516 1.00 0.00 N ATOM 367 CA ASP A 27 1.520 12.361 -8.764 1.00 0.00 C ATOM 368 C ASP A 27 0.675 11.102 -8.971 1.00 0.00 C ATOM 369 O ASP A 27 -0.525 11.192 -9.231 1.00 0.00 O ATOM 370 CB ASP A 27 2.471 12.493 -9.954 1.00 0.00 C ATOM 371 CG ASP A 27 3.487 13.632 -9.848 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.277 14.498 -8.971 1.00 0.00 O ATOM 373 OD2 ASP A 27 4.449 13.612 -10.645 1.00 0.00 O ATOM 0 H ASP A 27 3.250 12.462 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 27 0.892 13.250 -8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.012 11.554 -10.073 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.879 12.637 -10.858 1.00 0.00 H new ATOM 378 N ASP A 28 1.333 9.959 -8.849 1.00 0.00 N ATOM 379 CA ASP A 28 0.657 8.684 -9.020 1.00 0.00 C ATOM 380 C ASP A 28 -0.528 8.607 -8.056 1.00 0.00 C ATOM 381 O ASP A 28 -0.545 9.288 -7.031 1.00 0.00 O ATOM 382 CB ASP A 28 1.596 7.517 -8.710 1.00 0.00 C ATOM 383 CG ASP A 28 2.572 7.156 -9.832 1.00 0.00 C ATOM 384 OD1 ASP A 28 3.553 7.913 -9.996 1.00 0.00 O ATOM 385 OD2 ASP A 28 2.314 6.131 -10.499 1.00 0.00 O ATOM 0 H ASP A 28 2.328 9.889 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 28 0.325 8.614 -10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.169 7.759 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.994 6.639 -8.476 1.00 0.00 H new ATOM 390 N THR A 29 -1.491 7.772 -8.417 1.00 0.00 N ATOM 391 CA THR A 29 -2.677 7.596 -7.597 1.00 0.00 C ATOM 392 C THR A 29 -2.591 6.289 -6.807 1.00 0.00 C ATOM 393 O THR A 29 -1.842 5.385 -7.176 1.00 0.00 O ATOM 394 CB THR A 29 -3.901 7.674 -8.512 1.00 0.00 C ATOM 395 OG1 THR A 29 -3.797 8.958 -9.122 1.00 0.00 O ATOM 396 CG2 THR A 29 -5.214 7.739 -7.729 1.00 0.00 C ATOM 0 H THR A 29 -1.474 7.209 -9.268 1.00 0.00 H new ATOM 0 HA THR A 29 -2.761 8.385 -6.850 1.00 0.00 H new ATOM 0 HB THR A 29 -3.915 6.808 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.551 9.092 -9.734 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.051 7.793 -8.426 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.314 6.847 -7.111 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.214 8.624 -7.092 1.00 0.00 H new ATOM 404 N VAL A 30 -3.368 6.230 -5.736 1.00 0.00 N ATOM 405 CA VAL A 30 -3.389 5.048 -4.891 1.00 0.00 C ATOM 406 C VAL A 30 -3.433 3.797 -5.772 1.00 0.00 C ATOM 407 O VAL A 30 -2.809 2.787 -5.453 1.00 0.00 O ATOM 408 CB VAL A 30 -4.558 5.128 -3.907 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.696 3.829 -3.111 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.407 6.330 -2.973 1.00 0.00 C ATOM 0 H VAL A 30 -3.988 6.982 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.481 4.991 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.472 5.265 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.534 3.913 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.873 3.000 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.779 3.647 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.251 6.364 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.480 6.237 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.382 7.247 -3.561 1.00 0.00 H new ATOM 420 N LEU A 31 -4.177 3.907 -6.862 1.00 0.00 N ATOM 421 CA LEU A 31 -4.311 2.798 -7.791 1.00 0.00 C ATOM 422 C LEU A 31 -2.920 2.298 -8.186 1.00 0.00 C ATOM 423 O LEU A 31 -2.587 1.135 -7.958 1.00 0.00 O ATOM 424 CB LEU A 31 -5.181 3.200 -8.984 1.00 0.00 C ATOM 425 CG LEU A 31 -5.479 2.095 -10.000 1.00 0.00 C ATOM 426 CD1 LEU A 31 -6.635 1.212 -9.527 1.00 0.00 C ATOM 427 CD2 LEU A 31 -5.738 2.683 -11.389 1.00 0.00 C ATOM 0 H LEU A 31 -4.693 4.747 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.827 1.964 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.129 3.582 -8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.691 4.023 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.599 1.457 -10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.826 0.435 -10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.374 0.750 -8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.530 1.821 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.947 1.877 -12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.593 3.357 -11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.858 3.234 -11.721 1.00 0.00 H new ATOM 439 N ASP A 32 -2.145 3.200 -8.769 1.00 0.00 N ATOM 440 CA ASP A 32 -0.798 2.864 -9.197 1.00 0.00 C ATOM 441 C ASP A 32 -0.127 2.002 -8.126 1.00 0.00 C ATOM 442 O ASP A 32 0.399 0.931 -8.426 1.00 0.00 O ATOM 443 CB ASP A 32 0.049 4.124 -9.389 1.00 0.00 C ATOM 444 CG ASP A 32 -0.298 4.954 -10.627 1.00 0.00 C ATOM 445 OD1 ASP A 32 -1.238 5.770 -10.519 1.00 0.00 O ATOM 446 OD2 ASP A 32 0.386 4.753 -11.654 1.00 0.00 O ATOM 0 H ASP A 32 -2.424 4.163 -8.955 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.869 2.329 -10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.058 4.754 -8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.098 3.833 -9.447 1.00 0.00 H new ATOM 451 N LEU A 33 -0.167 2.502 -6.900 1.00 0.00 N ATOM 452 CA LEU A 33 0.431 1.791 -5.782 1.00 0.00 C ATOM 453 C LEU A 33 -0.178 0.390 -5.690 1.00 0.00 C ATOM 454 O LEU A 33 0.528 -0.608 -5.830 1.00 0.00 O ATOM 455 CB LEU A 33 0.295 2.606 -4.494 1.00 0.00 C ATOM 456 CG LEU A 33 1.169 2.156 -3.321 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.577 2.744 -3.429 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.507 2.494 -1.984 1.00 0.00 C ATOM 0 H LEU A 33 -0.604 3.391 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 33 1.502 1.664 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.531 3.646 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.747 2.577 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 33 1.270 1.072 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.177 2.409 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.040 2.411 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.518 3.832 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.148 2.164 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.356 3.571 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.456 1.988 -1.917 1.00 0.00 H new ATOM 470 N LYS A 34 -1.482 0.360 -5.456 1.00 0.00 N ATOM 471 CA LYS A 34 -2.193 -0.901 -5.344 1.00 0.00 C ATOM 472 C LYS A 34 -1.803 -1.808 -6.513 1.00 0.00 C ATOM 473 O LYS A 34 -1.248 -2.886 -6.309 1.00 0.00 O ATOM 474 CB LYS A 34 -3.700 -0.659 -5.229 1.00 0.00 C ATOM 475 CG LYS A 34 -4.030 0.158 -3.978 1.00 0.00 C ATOM 476 CD LYS A 34 -5.482 0.639 -4.005 1.00 0.00 C ATOM 477 CE LYS A 34 -6.087 0.635 -2.600 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.523 0.280 -2.655 1.00 0.00 N ATOM 0 H LYS A 34 -2.064 1.190 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.906 -1.419 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.056 -0.134 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.224 -1.614 -5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.860 -0.448 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.360 1.015 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.528 1.645 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.070 -0.004 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.554 -0.077 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.966 1.617 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.918 0.282 -1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.030 0.975 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.631 -0.667 -3.072 1.00 0.00 H new ATOM 492 N GLN A 35 -2.110 -1.336 -7.713 1.00 0.00 N ATOM 493 CA GLN A 35 -1.798 -2.091 -8.915 1.00 0.00 C ATOM 494 C GLN A 35 -0.377 -2.654 -8.835 1.00 0.00 C ATOM 495 O GLN A 35 -0.145 -3.813 -9.175 1.00 0.00 O ATOM 496 CB GLN A 35 -1.976 -1.227 -10.166 1.00 0.00 C ATOM 497 CG GLN A 35 -3.430 -1.247 -10.642 1.00 0.00 C ATOM 498 CD GLN A 35 -3.511 -1.081 -12.161 1.00 0.00 C ATOM 499 OE1 GLN A 35 -4.256 -0.052 -12.554 1.00 0.00 O flip ATOM 500 NE2 GLN A 35 -2.936 -1.838 -12.926 1.00 0.00 N flip ATOM 0 H GLN A 35 -2.571 -0.441 -7.878 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.495 -2.926 -8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.674 -0.202 -9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.324 -1.591 -10.960 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.899 -2.186 -10.350 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.987 -0.447 -10.155 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.379 -2.609 -12.558 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.012 -1.699 -13.934 1.00 0.00 H new ATOM 509 N PHE A 36 0.536 -1.806 -8.385 1.00 0.00 N ATOM 510 CA PHE A 36 1.928 -2.205 -8.257 1.00 0.00 C ATOM 511 C PHE A 36 2.116 -3.168 -7.083 1.00 0.00 C ATOM 512 O PHE A 36 3.029 -3.992 -7.092 1.00 0.00 O ATOM 513 CB PHE A 36 2.734 -0.932 -7.991 1.00 0.00 C ATOM 514 CG PHE A 36 4.226 -1.065 -8.303 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.630 -1.444 -9.545 1.00 0.00 C ATOM 516 CD2 PHE A 36 5.149 -0.804 -7.338 1.00 0.00 C ATOM 517 CE1 PHE A 36 6.015 -1.567 -9.834 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.533 -0.927 -7.627 1.00 0.00 C ATOM 519 CZ PHE A 36 6.937 -1.306 -8.869 1.00 0.00 C ATOM 0 H PHE A 36 0.340 -0.845 -8.105 1.00 0.00 H new ATOM 0 HA PHE A 36 2.255 -2.712 -9.164 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.319 -0.120 -8.588 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.616 -0.651 -6.945 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.898 -1.651 -10.311 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.828 -0.503 -6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.336 -1.868 -10.820 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.265 -0.720 -6.861 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.990 -1.400 -9.089 1.00 0.00 H new ATOM 529 N LEU A 37 1.237 -3.032 -6.100 1.00 0.00 N ATOM 530 CA LEU A 37 1.295 -3.880 -4.922 1.00 0.00 C ATOM 531 C LEU A 37 0.732 -5.261 -5.264 1.00 0.00 C ATOM 532 O LEU A 37 1.012 -6.238 -4.572 1.00 0.00 O ATOM 533 CB LEU A 37 0.594 -3.205 -3.741 1.00 0.00 C ATOM 534 CG LEU A 37 1.286 -1.966 -3.170 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.263 -0.974 -2.614 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.333 -2.355 -2.124 1.00 0.00 C ATOM 0 H LEU A 37 0.481 -2.347 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 37 2.329 -4.026 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.412 -2.924 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.486 -3.938 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 37 1.813 -1.465 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.781 -0.102 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.411 -0.661 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.311 -1.451 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.810 -1.456 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.850 -2.892 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.086 -2.995 -2.584 1.00 0.00 H new ATOM 548 N LYS A 38 -0.052 -5.297 -6.332 1.00 0.00 N ATOM 549 CA LYS A 38 -0.657 -6.541 -6.774 1.00 0.00 C ATOM 550 C LYS A 38 0.413 -7.422 -7.422 1.00 0.00 C ATOM 551 O LYS A 38 0.330 -8.648 -7.368 1.00 0.00 O ATOM 552 CB LYS A 38 -1.855 -6.261 -7.683 1.00 0.00 C ATOM 553 CG LYS A 38 -2.276 -7.522 -8.441 1.00 0.00 C ATOM 554 CD LYS A 38 -3.650 -7.339 -9.090 1.00 0.00 C ATOM 555 CE LYS A 38 -3.652 -7.865 -10.527 1.00 0.00 C ATOM 556 NZ LYS A 38 -5.025 -7.858 -11.079 1.00 0.00 N ATOM 0 H LYS A 38 -0.282 -4.484 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.054 -7.094 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.691 -5.895 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.601 -5.474 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.536 -7.754 -9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.303 -8.370 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.405 -7.865 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.921 -6.283 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.001 -7.249 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.249 -8.878 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.009 -8.218 -12.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.637 -8.465 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.396 -6.886 -11.074 1.00 0.00 H new ATOM 570 N THR A 39 1.394 -6.762 -8.021 1.00 0.00 N ATOM 571 CA THR A 39 2.480 -7.470 -8.678 1.00 0.00 C ATOM 572 C THR A 39 3.638 -7.692 -7.704 1.00 0.00 C ATOM 573 O THR A 39 4.380 -8.666 -7.828 1.00 0.00 O ATOM 574 CB THR A 39 2.877 -6.674 -9.923 1.00 0.00 C ATOM 575 OG1 THR A 39 3.797 -7.526 -10.601 1.00 0.00 O ATOM 576 CG2 THR A 39 3.701 -5.430 -9.585 1.00 0.00 C ATOM 0 H THR A 39 1.459 -5.745 -8.065 1.00 0.00 H new ATOM 0 HA THR A 39 2.169 -8.465 -8.996 1.00 0.00 H new ATOM 0 HB THR A 39 1.979 -6.378 -10.466 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.104 -7.088 -11.422 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.956 -4.902 -10.504 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.119 -4.773 -8.938 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.615 -5.728 -9.072 1.00 0.00 H new ATOM 584 N LEU A 40 3.758 -6.774 -6.756 1.00 0.00 N ATOM 585 CA LEU A 40 4.813 -6.858 -5.762 1.00 0.00 C ATOM 586 C LEU A 40 4.617 -8.121 -4.921 1.00 0.00 C ATOM 587 O LEU A 40 5.549 -8.905 -4.745 1.00 0.00 O ATOM 588 CB LEU A 40 4.874 -5.572 -4.934 1.00 0.00 C ATOM 589 CG LEU A 40 5.547 -4.374 -5.606 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.205 -3.073 -4.876 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.057 -4.587 -5.721 1.00 0.00 C ATOM 0 H LEU A 40 3.141 -5.968 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 40 5.786 -6.945 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.857 -5.288 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.402 -5.786 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 40 5.156 -4.287 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.696 -2.237 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.126 -2.921 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.549 -3.134 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.511 -3.721 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.483 -4.714 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.254 -5.478 -6.317 1.00 0.00 H new ATOM 603 N THR A 41 3.399 -8.280 -4.425 1.00 0.00 N ATOM 604 CA THR A 41 3.069 -9.435 -3.607 1.00 0.00 C ATOM 605 C THR A 41 2.470 -10.546 -4.471 1.00 0.00 C ATOM 606 O THR A 41 2.924 -11.689 -4.422 1.00 0.00 O ATOM 607 CB THR A 41 2.138 -8.969 -2.485 1.00 0.00 C ATOM 608 OG1 THR A 41 1.170 -8.162 -3.150 1.00 0.00 O ATOM 609 CG2 THR A 41 2.826 -8.005 -1.516 1.00 0.00 C ATOM 0 H THR A 41 2.628 -7.628 -4.574 1.00 0.00 H new ATOM 0 HA THR A 41 3.961 -9.865 -3.151 1.00 0.00 H new ATOM 0 HB THR A 41 1.770 -9.835 -1.935 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.468 -7.229 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.122 -7.705 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.683 -8.499 -1.058 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.164 -7.123 -2.059 1.00 0.00 H new ATOM 617 N GLY A 42 1.460 -10.173 -5.243 1.00 0.00 N ATOM 618 CA GLY A 42 0.795 -11.124 -6.117 1.00 0.00 C ATOM 619 C GLY A 42 -0.659 -11.337 -5.690 1.00 0.00 C ATOM 620 O GLY A 42 -1.267 -12.351 -6.030 1.00 0.00 O ATOM 0 H GLY A 42 1.086 -9.225 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.827 -10.763 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.327 -12.075 -6.097 1.00 0.00 H new ATOM 624 N VAL A 43 -1.174 -10.365 -4.952 1.00 0.00 N ATOM 625 CA VAL A 43 -2.545 -10.433 -4.475 1.00 0.00 C ATOM 626 C VAL A 43 -3.358 -9.305 -5.112 1.00 0.00 C ATOM 627 O VAL A 43 -2.793 -8.334 -5.613 1.00 0.00 O ATOM 628 CB VAL A 43 -2.569 -10.398 -2.945 1.00 0.00 C ATOM 629 CG1 VAL A 43 -4.003 -10.295 -2.422 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.856 -11.618 -2.358 1.00 0.00 C ATOM 0 H VAL A 43 -0.666 -9.526 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.007 -11.374 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.030 -9.508 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.992 -10.272 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.463 -9.382 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.577 -11.158 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.887 -11.569 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.354 -12.527 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.818 -11.628 -2.691 1.00 0.00 H new ATOM 640 N LEU A 44 -4.672 -9.470 -5.071 1.00 0.00 N ATOM 641 CA LEU A 44 -5.569 -8.477 -5.638 1.00 0.00 C ATOM 642 C LEU A 44 -5.503 -7.198 -4.800 1.00 0.00 C ATOM 643 O LEU A 44 -5.199 -7.247 -3.609 1.00 0.00 O ATOM 644 CB LEU A 44 -6.982 -9.048 -5.776 1.00 0.00 C ATOM 645 CG LEU A 44 -7.090 -10.407 -6.472 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.524 -10.938 -6.416 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.563 -10.332 -7.906 1.00 0.00 C ATOM 0 H LEU A 44 -5.137 -10.276 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.255 -8.214 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.416 -9.136 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.591 -8.330 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.461 -11.117 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.574 -11.905 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.829 -11.053 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.192 -10.236 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.651 -11.311 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.145 -9.603 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.516 -10.028 -7.894 1.00 0.00 H new ATOM 659 N PRO A 45 -5.800 -6.054 -5.473 1.00 0.00 N ATOM 660 CA PRO A 45 -5.776 -4.765 -4.804 1.00 0.00 C ATOM 661 C PRO A 45 -7.001 -4.593 -3.902 1.00 0.00 C ATOM 662 O PRO A 45 -6.890 -4.079 -2.790 1.00 0.00 O ATOM 663 CB PRO A 45 -5.716 -3.741 -5.925 1.00 0.00 C ATOM 664 CG PRO A 45 -6.176 -4.468 -7.179 1.00 0.00 C ATOM 665 CD PRO A 45 -6.164 -5.959 -6.883 1.00 0.00 C ATOM 0 HA PRO A 45 -4.923 -4.654 -4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.360 -2.888 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.704 -3.354 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.177 -4.143 -7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.517 -4.240 -8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.139 -6.408 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.445 -6.482 -7.514 1.00 0.00 H new ATOM 673 N GLU A 46 -8.140 -5.033 -4.415 1.00 0.00 N ATOM 674 CA GLU A 46 -9.384 -4.935 -3.670 1.00 0.00 C ATOM 675 C GLU A 46 -9.281 -5.719 -2.360 1.00 0.00 C ATOM 676 O GLU A 46 -9.756 -5.264 -1.321 1.00 0.00 O ATOM 677 CB GLU A 46 -10.566 -5.422 -4.510 1.00 0.00 C ATOM 678 CG GLU A 46 -10.487 -6.931 -4.744 1.00 0.00 C ATOM 679 CD GLU A 46 -11.579 -7.394 -5.712 1.00 0.00 C ATOM 680 OE1 GLU A 46 -11.408 -7.141 -6.924 1.00 0.00 O ATOM 681 OE2 GLU A 46 -12.560 -7.989 -5.217 1.00 0.00 O ATOM 0 H GLU A 46 -8.228 -5.458 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.560 -3.886 -3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.501 -5.177 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.575 -4.902 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.507 -7.190 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.591 -7.456 -3.794 1.00 0.00 H new ATOM 688 N ARG A 47 -8.660 -6.885 -2.453 1.00 0.00 N ATOM 689 CA ARG A 47 -8.489 -7.738 -1.289 1.00 0.00 C ATOM 690 C ARG A 47 -7.385 -7.186 -0.385 1.00 0.00 C ATOM 691 O ARG A 47 -7.524 -7.180 0.838 1.00 0.00 O ATOM 692 CB ARG A 47 -8.135 -9.168 -1.700 1.00 0.00 C ATOM 693 CG ARG A 47 -9.367 -9.909 -2.224 1.00 0.00 C ATOM 694 CD ARG A 47 -9.567 -11.233 -1.484 1.00 0.00 C ATOM 695 NE ARG A 47 -10.782 -11.163 -0.642 1.00 0.00 N ATOM 696 CZ ARG A 47 -12.032 -11.205 -1.123 1.00 0.00 C ATOM 697 NH1 ARG A 47 -12.239 -11.315 -2.443 1.00 0.00 N ATOM 698 NH2 ARG A 47 -13.076 -11.135 -0.285 1.00 0.00 N ATOM 0 H ARG A 47 -8.269 -7.260 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.435 -7.752 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.363 -9.148 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.720 -9.703 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.251 -9.283 -2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.255 -10.098 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.657 -12.050 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.697 -11.448 -0.864 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.660 -11.077 0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.445 -11.367 -3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.191 -11.347 -2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.919 -11.050 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.027 -11.167 -0.652 1.00 0.00 H new ATOM 712 N GLN A 48 -6.313 -6.737 -1.020 1.00 0.00 N ATOM 713 CA GLN A 48 -5.186 -6.184 -0.288 1.00 0.00 C ATOM 714 C GLN A 48 -5.671 -5.160 0.740 1.00 0.00 C ATOM 715 O GLN A 48 -6.206 -4.114 0.374 1.00 0.00 O ATOM 716 CB GLN A 48 -4.164 -5.562 -1.242 1.00 0.00 C ATOM 717 CG GLN A 48 -3.060 -6.563 -1.592 1.00 0.00 C ATOM 718 CD GLN A 48 -1.870 -5.859 -2.246 1.00 0.00 C ATOM 719 OE1 GLN A 48 -2.176 -5.201 -3.361 1.00 0.00 O flip ATOM 720 NE2 GLN A 48 -0.747 -5.909 -1.770 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.201 -6.745 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.690 -6.996 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.664 -5.234 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.725 -4.676 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.731 -7.078 -0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.454 -7.323 -2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.580 -6.432 -0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.025 -5.427 -2.232 1.00 0.00 H new ATOM 729 N LYS A 49 -5.466 -5.496 2.005 1.00 0.00 N ATOM 730 CA LYS A 49 -5.876 -4.619 3.088 1.00 0.00 C ATOM 731 C LYS A 49 -4.656 -3.858 3.611 1.00 0.00 C ATOM 732 O LYS A 49 -3.683 -4.466 4.053 1.00 0.00 O ATOM 733 CB LYS A 49 -6.616 -5.410 4.168 1.00 0.00 C ATOM 734 CG LYS A 49 -7.901 -4.694 4.589 1.00 0.00 C ATOM 735 CD LYS A 49 -7.725 -4.005 5.944 1.00 0.00 C ATOM 736 CE LYS A 49 -6.857 -2.752 5.814 1.00 0.00 C ATOM 737 NZ LYS A 49 -7.503 -1.602 6.486 1.00 0.00 N ATOM 0 H LYS A 49 -5.021 -6.364 2.304 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.587 -3.875 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.856 -6.406 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.969 -5.542 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.175 -3.956 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.720 -5.411 4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.701 -3.735 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.267 -4.697 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.877 -2.934 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.696 -2.522 4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.817 -0.826 6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.313 -1.279 5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.833 -1.892 7.429 1.00 0.00 H new ATOM 751 N LEU A 50 -4.749 -2.538 3.543 1.00 0.00 N ATOM 752 CA LEU A 50 -3.665 -1.687 4.005 1.00 0.00 C ATOM 753 C LEU A 50 -3.921 -1.285 5.458 1.00 0.00 C ATOM 754 O LEU A 50 -4.985 -0.761 5.783 1.00 0.00 O ATOM 755 CB LEU A 50 -3.479 -0.497 3.061 1.00 0.00 C ATOM 756 CG LEU A 50 -3.189 -0.839 1.598 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.579 0.357 0.866 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.310 -2.087 1.491 1.00 0.00 C ATOM 0 H LEU A 50 -5.558 -2.037 3.175 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.720 -2.230 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.380 0.115 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.661 0.116 3.439 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.134 -1.068 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.383 0.087 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.274 1.196 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.645 0.642 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.119 -2.308 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.364 -1.911 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.820 -2.932 1.953 1.00 0.00 H new ATOM 770 N LEU A 51 -2.927 -1.546 6.295 1.00 0.00 N ATOM 771 CA LEU A 51 -3.031 -1.218 7.707 1.00 0.00 C ATOM 772 C LEU A 51 -1.992 -0.150 8.056 1.00 0.00 C ATOM 773 O LEU A 51 -0.792 -0.420 8.046 1.00 0.00 O ATOM 774 CB LEU A 51 -2.924 -2.483 8.560 1.00 0.00 C ATOM 775 CG LEU A 51 -3.905 -2.589 9.729 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.346 -2.701 9.228 1.00 0.00 C ATOM 777 CD2 LEU A 51 -3.529 -3.745 10.657 1.00 0.00 C ATOM 0 H LEU A 51 -2.046 -1.981 6.022 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.010 -0.794 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.067 -3.347 7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.910 -2.546 8.956 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.839 -1.672 10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.023 -2.775 10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.597 -1.817 8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.447 -3.590 8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.242 -3.798 11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.549 -4.681 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.528 -3.581 11.055 1.00 0.00 H new ATOM 789 N GLY A 52 -2.492 1.040 8.356 1.00 0.00 N ATOM 790 CA GLY A 52 -1.622 2.149 8.707 1.00 0.00 C ATOM 791 C GLY A 52 -2.328 3.489 8.494 1.00 0.00 C ATOM 792 O GLY A 52 -2.405 4.308 9.409 1.00 0.00 O ATOM 0 H GLY A 52 -3.488 1.260 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.313 2.058 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.716 2.111 8.102 1.00 0.00 H new ATOM 796 N LEU A 53 -2.827 3.672 7.280 1.00 0.00 N ATOM 797 CA LEU A 53 -3.525 4.899 6.935 1.00 0.00 C ATOM 798 C LEU A 53 -5.011 4.596 6.736 1.00 0.00 C ATOM 799 O LEU A 53 -5.368 3.652 6.032 1.00 0.00 O ATOM 800 CB LEU A 53 -2.867 5.568 5.726 1.00 0.00 C ATOM 801 CG LEU A 53 -2.610 4.666 4.517 1.00 0.00 C ATOM 802 CD1 LEU A 53 -3.156 5.298 3.236 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.125 4.319 4.398 1.00 0.00 C ATOM 0 H LEU A 53 -2.762 2.991 6.523 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.452 5.621 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.498 6.398 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.916 5.994 6.045 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.148 3.730 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.960 4.637 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.231 5.451 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.667 6.257 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.970 3.677 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.546 5.235 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.800 3.797 5.298 1.00 0.00 H new ATOM 815 N LYS A 54 -5.839 5.415 7.368 1.00 0.00 N ATOM 816 CA LYS A 54 -7.279 5.247 7.270 1.00 0.00 C ATOM 817 C LYS A 54 -7.926 6.600 6.965 1.00 0.00 C ATOM 818 O LYS A 54 -7.270 7.637 7.039 1.00 0.00 O ATOM 819 CB LYS A 54 -7.827 4.572 8.529 1.00 0.00 C ATOM 820 CG LYS A 54 -7.603 3.060 8.482 1.00 0.00 C ATOM 821 CD LYS A 54 -7.282 2.509 9.873 1.00 0.00 C ATOM 822 CE LYS A 54 -8.550 2.393 10.722 1.00 0.00 C ATOM 823 NZ LYS A 54 -9.196 1.079 10.511 1.00 0.00 N ATOM 0 H LYS A 54 -5.540 6.197 7.950 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.530 4.580 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.339 4.988 9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.892 4.783 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.493 2.569 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.785 2.831 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.811 1.530 9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.565 3.162 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.302 2.518 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.244 3.192 10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.055 1.017 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.450 0.974 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.538 0.321 10.782 1.00 0.00 H new ATOM 837 N VAL A 55 -9.207 6.544 6.629 1.00 0.00 N ATOM 838 CA VAL A 55 -9.950 7.752 6.313 1.00 0.00 C ATOM 839 C VAL A 55 -11.311 7.706 7.013 1.00 0.00 C ATOM 840 O VAL A 55 -12.235 7.049 6.537 1.00 0.00 O ATOM 841 CB VAL A 55 -10.063 7.915 4.796 1.00 0.00 C ATOM 842 CG1 VAL A 55 -10.978 9.088 4.438 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.683 8.082 4.159 1.00 0.00 C ATOM 0 H VAL A 55 -9.748 5.682 6.569 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.424 8.632 6.682 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.510 7.006 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.041 9.182 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.973 8.911 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.572 10.008 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.792 8.196 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.197 8.967 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.075 7.202 4.372 1.00 0.00 H new ATOM 853 N LYS A 56 -11.390 8.412 8.131 1.00 0.00 N ATOM 854 CA LYS A 56 -12.621 8.460 8.900 1.00 0.00 C ATOM 855 C LYS A 56 -13.260 7.069 8.920 1.00 0.00 C ATOM 856 O LYS A 56 -14.443 6.922 8.618 1.00 0.00 O ATOM 857 CB LYS A 56 -13.546 9.554 8.364 1.00 0.00 C ATOM 858 CG LYS A 56 -13.793 9.377 6.864 1.00 0.00 C ATOM 859 CD LYS A 56 -14.898 10.315 6.375 1.00 0.00 C ATOM 860 CE LYS A 56 -14.389 11.225 5.255 1.00 0.00 C ATOM 861 NZ LYS A 56 -14.482 10.538 3.947 1.00 0.00 N ATOM 0 H LYS A 56 -10.621 8.956 8.523 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.413 8.730 9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.496 9.526 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.104 10.533 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.873 9.576 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.071 8.343 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.745 9.730 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.259 10.922 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.973 12.145 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.355 11.509 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.133 11.169 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.905 9.673 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.473 10.289 3.755 1.00 0.00 H new ATOM 875 N GLY A 57 -12.448 6.085 9.278 1.00 0.00 N ATOM 876 CA GLY A 57 -12.919 4.712 9.340 1.00 0.00 C ATOM 877 C GLY A 57 -12.206 3.840 8.304 1.00 0.00 C ATOM 878 O GLY A 57 -11.224 3.171 8.622 1.00 0.00 O ATOM 0 H GLY A 57 -11.467 6.211 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.748 4.310 10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.995 4.685 9.165 1.00 0.00 H new ATOM 882 N LYS A 58 -12.728 3.877 7.087 1.00 0.00 N ATOM 883 CA LYS A 58 -12.154 3.098 6.003 1.00 0.00 C ATOM 884 C LYS A 58 -10.985 3.872 5.389 1.00 0.00 C ATOM 885 O LYS A 58 -10.954 5.100 5.440 1.00 0.00 O ATOM 886 CB LYS A 58 -13.234 2.711 4.991 1.00 0.00 C ATOM 887 CG LYS A 58 -14.147 1.619 5.555 1.00 0.00 C ATOM 888 CD LYS A 58 -15.443 1.518 4.748 1.00 0.00 C ATOM 889 CE LYS A 58 -16.435 2.604 5.166 1.00 0.00 C ATOM 890 NZ LYS A 58 -16.298 3.794 4.296 1.00 0.00 N ATOM 0 H LYS A 58 -13.542 4.434 6.828 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.752 2.158 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.827 3.588 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.767 2.360 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.628 0.661 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.379 1.837 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.222 1.612 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.891 0.535 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.453 2.218 5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.261 2.884 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.947 4.596 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.627 3.588 3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.224 4.035 3.890 1.00 0.00 H new ATOM 904 N PRO A 59 -10.027 3.100 4.808 1.00 0.00 N ATOM 905 CA PRO A 59 -8.860 3.700 4.185 1.00 0.00 C ATOM 906 C PRO A 59 -9.219 4.329 2.838 1.00 0.00 C ATOM 907 O PRO A 59 -10.274 4.039 2.275 1.00 0.00 O ATOM 908 CB PRO A 59 -7.854 2.567 4.062 1.00 0.00 C ATOM 909 CG PRO A 59 -8.656 1.282 4.191 1.00 0.00 C ATOM 910 CD PRO A 59 -10.031 1.642 4.730 1.00 0.00 C ATOM 0 HA PRO A 59 -8.446 4.521 4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.334 2.609 3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.094 2.633 4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.743 0.788 3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.154 0.584 4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.821 1.283 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.203 1.193 5.708 1.00 0.00 H new ATOM 918 N ALA A 60 -8.322 5.178 2.359 1.00 0.00 N ATOM 919 CA ALA A 60 -8.532 5.850 1.088 1.00 0.00 C ATOM 920 C ALA A 60 -8.889 4.814 0.020 1.00 0.00 C ATOM 921 O ALA A 60 -8.902 3.615 0.294 1.00 0.00 O ATOM 922 CB ALA A 60 -7.282 6.655 0.724 1.00 0.00 C ATOM 0 H ALA A 60 -7.448 5.416 2.828 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.364 6.551 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.439 7.159 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.088 7.396 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.427 5.983 0.643 1.00 0.00 H new ATOM 928 N GLU A 61 -9.170 5.314 -1.174 1.00 0.00 N ATOM 929 CA GLU A 61 -9.527 4.446 -2.284 1.00 0.00 C ATOM 930 C GLU A 61 -8.503 4.582 -3.413 1.00 0.00 C ATOM 931 O GLU A 61 -7.548 5.348 -3.301 1.00 0.00 O ATOM 932 CB GLU A 61 -10.940 4.750 -2.785 1.00 0.00 C ATOM 933 CG GLU A 61 -11.989 4.348 -1.746 1.00 0.00 C ATOM 934 CD GLU A 61 -13.153 3.602 -2.403 1.00 0.00 C ATOM 935 OE1 GLU A 61 -13.765 4.197 -3.316 1.00 0.00 O ATOM 936 OE2 GLU A 61 -13.403 2.454 -1.977 1.00 0.00 O ATOM 0 H GLU A 61 -9.158 6.309 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.517 3.414 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.030 5.814 -3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.122 4.215 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.530 3.716 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.362 5.237 -1.238 1.00 0.00 H new ATOM 943 N ASN A 62 -8.738 3.825 -4.475 1.00 0.00 N ATOM 944 CA ASN A 62 -7.849 3.851 -5.624 1.00 0.00 C ATOM 945 C ASN A 62 -8.041 5.165 -6.382 1.00 0.00 C ATOM 946 O ASN A 62 -7.078 5.740 -6.888 1.00 0.00 O ATOM 947 CB ASN A 62 -8.157 2.701 -6.585 1.00 0.00 C ATOM 948 CG ASN A 62 -9.666 2.549 -6.792 1.00 0.00 C ATOM 949 OD1 ASN A 62 -10.458 3.401 -6.425 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.017 1.419 -7.398 1.00 0.00 N ATOM 0 H ASN A 62 -9.531 3.190 -4.564 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.826 3.753 -5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.671 2.883 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.745 1.772 -6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.001 1.223 -7.582 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.302 0.748 -7.679 1.00 0.00 H new ATOM 957 N ASP A 63 -9.290 5.603 -6.438 1.00 0.00 N ATOM 958 CA ASP A 63 -9.620 6.839 -7.126 1.00 0.00 C ATOM 959 C ASP A 63 -8.997 8.018 -6.376 1.00 0.00 C ATOM 960 O ASP A 63 -8.961 9.135 -6.888 1.00 0.00 O ATOM 961 CB ASP A 63 -11.134 7.056 -7.174 1.00 0.00 C ATOM 962 CG ASP A 63 -11.631 7.890 -8.356 1.00 0.00 C ATOM 963 OD1 ASP A 63 -11.233 9.073 -8.423 1.00 0.00 O ATOM 964 OD2 ASP A 63 -12.397 7.325 -9.166 1.00 0.00 O ATOM 0 H ASP A 63 -10.086 5.123 -6.018 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.233 6.772 -8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.624 6.083 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.446 7.542 -6.249 1.00 0.00 H new ATOM 969 N VAL A 64 -8.521 7.728 -5.174 1.00 0.00 N ATOM 970 CA VAL A 64 -7.901 8.750 -4.347 1.00 0.00 C ATOM 971 C VAL A 64 -6.410 8.831 -4.678 1.00 0.00 C ATOM 972 O VAL A 64 -5.802 7.837 -5.072 1.00 0.00 O ATOM 973 CB VAL A 64 -8.171 8.462 -2.869 1.00 0.00 C ATOM 974 CG1 VAL A 64 -7.074 9.059 -1.985 1.00 0.00 C ATOM 975 CG2 VAL A 64 -9.551 8.977 -2.453 1.00 0.00 C ATOM 0 H VAL A 64 -8.552 6.800 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.335 9.728 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.161 7.381 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.290 8.840 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.112 8.624 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.038 10.139 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.718 8.759 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.601 10.054 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.318 8.485 -3.051 1.00 0.00 H new ATOM 985 N LYS A 65 -5.862 10.025 -4.506 1.00 0.00 N ATOM 986 CA LYS A 65 -4.453 10.249 -4.781 1.00 0.00 C ATOM 987 C LYS A 65 -3.632 9.886 -3.542 1.00 0.00 C ATOM 988 O LYS A 65 -4.187 9.679 -2.464 1.00 0.00 O ATOM 989 CB LYS A 65 -4.224 11.680 -5.272 1.00 0.00 C ATOM 990 CG LYS A 65 -3.907 11.702 -6.769 1.00 0.00 C ATOM 991 CD LYS A 65 -2.435 12.039 -7.013 1.00 0.00 C ATOM 992 CE LYS A 65 -2.296 13.240 -7.951 1.00 0.00 C ATOM 993 NZ LYS A 65 -2.118 14.487 -7.175 1.00 0.00 N ATOM 0 H LYS A 65 -6.369 10.848 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.115 9.601 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.111 12.282 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.403 12.132 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.139 10.732 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.539 12.437 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.946 12.256 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.927 11.176 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.444 13.093 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.181 13.321 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.025 15.292 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.943 14.634 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.260 14.414 -6.592 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.323 9.818 -3.738 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.420 9.483 -2.650 1.00 0.00 C ATOM 1009 C LEU A 66 -0.944 10.770 -1.973 1.00 0.00 C ATOM 1010 O LEU A 66 -0.725 10.794 -0.763 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.280 8.595 -3.155 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.664 7.165 -3.539 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.323 6.587 -4.556 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.792 6.279 -2.298 1.00 0.00 C ATOM 0 H LEU A 66 -1.866 9.989 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.938 8.897 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.170 9.075 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.488 8.549 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.643 7.191 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.027 5.570 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.321 7.203 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.324 6.576 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.066 5.268 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.161 6.254 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.562 6.683 -1.641 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.799 11.808 -2.784 1.00 0.00 N ATOM 1027 CA GLY A 67 -0.353 13.095 -2.278 1.00 0.00 C ATOM 1028 C GLY A 67 -1.440 13.757 -1.429 1.00 0.00 C ATOM 1029 O GLY A 67 -1.149 14.345 -0.389 1.00 0.00 O ATOM 0 H GLY A 67 -0.982 11.784 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.549 12.962 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.091 13.746 -3.112 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.671 13.639 -1.904 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.804 14.219 -1.202 1.00 0.00 C ATOM 1035 C ALA A 68 -3.796 13.741 0.251 1.00 0.00 C ATOM 1036 O ALA A 68 -4.172 14.485 1.155 1.00 0.00 O ATOM 1037 CB ALA A 68 -5.098 13.851 -1.930 1.00 0.00 C ATOM 0 H ALA A 68 -2.909 13.150 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.734 15.307 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.948 14.286 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.065 14.238 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.204 12.767 -1.957 1.00 0.00 H new ATOM 1043 N LEU A 69 -3.363 12.502 0.431 1.00 0.00 N ATOM 1044 CA LEU A 69 -3.301 11.916 1.759 1.00 0.00 C ATOM 1045 C LEU A 69 -2.120 12.518 2.523 1.00 0.00 C ATOM 1046 O LEU A 69 -2.140 12.587 3.751 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.262 10.389 1.670 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.619 9.686 1.606 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.535 10.159 2.737 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.266 9.865 0.231 1.00 0.00 C ATOM 0 H LEU A 69 -3.052 11.887 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.202 12.156 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.689 10.111 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.718 10.008 2.535 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.457 8.618 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.493 9.644 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.071 9.937 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.694 11.234 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.229 9.355 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.413 10.927 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.617 9.440 -0.535 1.00 0.00 H new ATOM 1062 N LYS A 70 -1.118 12.937 1.764 1.00 0.00 N ATOM 1063 CA LYS A 70 0.070 13.531 2.354 1.00 0.00 C ATOM 1064 C LYS A 70 0.503 12.700 3.564 1.00 0.00 C ATOM 1065 O LYS A 70 0.481 13.184 4.694 1.00 0.00 O ATOM 1066 CB LYS A 70 -0.173 15.007 2.677 1.00 0.00 C ATOM 1067 CG LYS A 70 0.556 15.913 1.683 1.00 0.00 C ATOM 1068 CD LYS A 70 2.072 15.825 1.871 1.00 0.00 C ATOM 1069 CE LYS A 70 2.768 17.059 1.293 1.00 0.00 C ATOM 1070 NZ LYS A 70 4.239 16.899 1.350 1.00 0.00 N ATOM 0 H LYS A 70 -1.104 12.877 0.746 1.00 0.00 H new ATOM 0 HA LYS A 70 0.897 13.516 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.242 15.218 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.169 15.222 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.295 15.626 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.229 16.944 1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.306 15.734 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.451 14.927 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.453 17.212 0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.471 17.947 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.696 17.745 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.537 16.776 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.519 16.064 0.797 1.00 0.00 H new ATOM 1084 N LEU A 71 0.887 11.463 3.285 1.00 0.00 N ATOM 1085 CA LEU A 71 1.325 10.560 4.336 1.00 0.00 C ATOM 1086 C LEU A 71 2.793 10.840 4.664 1.00 0.00 C ATOM 1087 O LEU A 71 3.417 11.702 4.048 1.00 0.00 O ATOM 1088 CB LEU A 71 1.048 9.107 3.944 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.387 8.788 3.523 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.409 7.910 2.270 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -1.170 8.159 4.677 1.00 0.00 C ATOM 0 H LEU A 71 0.904 11.065 2.346 1.00 0.00 H new ATOM 0 HA LEU A 71 0.756 10.733 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.714 8.840 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.309 8.468 4.788 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.884 9.724 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.442 7.698 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.087 8.432 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.112 6.974 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.187 7.942 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.683 7.234 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.199 8.852 5.518 1.00 0.00 H new ATOM 1103 N LYS A 72 3.302 10.094 5.634 1.00 0.00 N ATOM 1104 CA LYS A 72 4.685 10.251 6.051 1.00 0.00 C ATOM 1105 C LYS A 72 5.592 9.465 5.102 1.00 0.00 C ATOM 1106 O LYS A 72 5.141 8.536 4.434 1.00 0.00 O ATOM 1107 CB LYS A 72 4.848 9.861 7.521 1.00 0.00 C ATOM 1108 CG LYS A 72 4.021 10.776 8.427 1.00 0.00 C ATOM 1109 CD LYS A 72 4.650 12.168 8.521 1.00 0.00 C ATOM 1110 CE LYS A 72 3.575 13.256 8.518 1.00 0.00 C ATOM 1111 NZ LYS A 72 3.571 13.984 9.806 1.00 0.00 N ATOM 0 H LYS A 72 2.781 9.380 6.143 1.00 0.00 H new ATOM 0 HA LYS A 72 4.986 11.297 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.537 8.826 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.900 9.919 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.006 10.857 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.947 10.338 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.245 12.242 9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.330 12.321 7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.757 13.953 7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.597 12.808 8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.835 14.719 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.375 13.318 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.500 14.427 9.957 1.00 0.00 H new ATOM 1125 N PRO A 73 6.887 9.878 5.071 1.00 0.00 N ATOM 1126 CA PRO A 73 7.862 9.223 4.215 1.00 0.00 C ATOM 1127 C PRO A 73 8.271 7.866 4.789 1.00 0.00 C ATOM 1128 O PRO A 73 8.184 7.646 5.996 1.00 0.00 O ATOM 1129 CB PRO A 73 9.021 10.202 4.118 1.00 0.00 C ATOM 1130 CG PRO A 73 8.858 11.158 5.288 1.00 0.00 C ATOM 1131 CD PRO A 73 7.457 10.975 5.848 1.00 0.00 C ATOM 0 HA PRO A 73 7.467 8.995 3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.977 9.681 4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.001 10.739 3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.605 10.954 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.008 12.188 4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.484 10.735 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.866 11.885 5.741 1.00 0.00 H new ATOM 1139 N ASN A 74 8.711 6.990 3.897 1.00 0.00 N ATOM 1140 CA ASN A 74 9.134 5.660 4.300 1.00 0.00 C ATOM 1141 C ASN A 74 8.151 5.108 5.334 1.00 0.00 C ATOM 1142 O ASN A 74 8.553 4.424 6.275 1.00 0.00 O ATOM 1143 CB ASN A 74 10.524 5.695 4.939 1.00 0.00 C ATOM 1144 CG ASN A 74 10.681 6.919 5.843 1.00 0.00 C ATOM 1145 OD1 ASN A 74 10.869 8.036 5.391 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.594 6.647 7.142 1.00 0.00 N ATOM 0 H ASN A 74 8.784 7.176 2.897 1.00 0.00 H new ATOM 0 HA ASN A 74 9.162 5.031 3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.684 4.787 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.286 5.714 4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.686 7.397 7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.435 5.689 7.453 1.00 0.00 H new ATOM 1153 N THR A 75 6.882 5.424 5.125 1.00 0.00 N ATOM 1154 CA THR A 75 5.839 4.968 6.028 1.00 0.00 C ATOM 1155 C THR A 75 5.620 3.462 5.873 1.00 0.00 C ATOM 1156 O THR A 75 5.000 3.017 4.909 1.00 0.00 O ATOM 1157 CB THR A 75 4.581 5.796 5.753 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.874 7.070 6.320 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.371 5.304 6.550 1.00 0.00 C ATOM 0 H THR A 75 6.552 5.990 4.343 1.00 0.00 H new ATOM 0 HA THR A 75 6.124 5.118 7.069 1.00 0.00 H new ATOM 0 HB THR A 75 4.352 5.765 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.804 7.084 6.629 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.506 5.925 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.156 4.269 6.284 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.588 5.367 7.616 1.00 0.00 H new ATOM 1167 N LYS A 76 6.142 2.719 6.837 1.00 0.00 N ATOM 1168 CA LYS A 76 6.013 1.272 6.821 1.00 0.00 C ATOM 1169 C LYS A 76 4.567 0.890 7.144 1.00 0.00 C ATOM 1170 O LYS A 76 4.174 0.861 8.309 1.00 0.00 O ATOM 1171 CB LYS A 76 7.041 0.630 7.754 1.00 0.00 C ATOM 1172 CG LYS A 76 8.451 1.143 7.453 1.00 0.00 C ATOM 1173 CD LYS A 76 9.310 1.163 8.718 1.00 0.00 C ATOM 1174 CE LYS A 76 10.054 -0.162 8.896 1.00 0.00 C ATOM 1175 NZ LYS A 76 10.953 -0.098 10.070 1.00 0.00 N ATOM 0 H LYS A 76 6.656 3.092 7.635 1.00 0.00 H new ATOM 0 HA LYS A 76 6.233 0.882 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.784 0.850 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.013 -0.454 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.920 0.508 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.394 2.147 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.027 1.982 8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.679 1.350 9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.338 -0.974 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.632 -0.384 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.450 -1.005 10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.648 0.664 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.393 0.093 10.926 1.00 0.00 H new ATOM 1189 N ILE A 77 3.814 0.607 6.091 1.00 0.00 N ATOM 1190 CA ILE A 77 2.420 0.228 6.248 1.00 0.00 C ATOM 1191 C ILE A 77 2.318 -1.295 6.349 1.00 0.00 C ATOM 1192 O ILE A 77 3.300 -2.002 6.130 1.00 0.00 O ATOM 1193 CB ILE A 77 1.572 0.828 5.124 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.884 0.157 3.785 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.743 2.347 5.059 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.702 -0.688 3.306 1.00 0.00 C ATOM 0 H ILE A 77 4.143 0.633 5.126 1.00 0.00 H new ATOM 0 HA ILE A 77 2.016 0.637 7.174 1.00 0.00 H new ATOM 0 HB ILE A 77 0.523 0.632 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.118 0.917 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.768 -0.473 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.130 2.748 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.432 2.789 6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.790 2.588 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.950 -1.154 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.486 -1.462 4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.174 -0.051 3.182 1.00 0.00 H new ATOM 1208 N MET A 78 1.120 -1.755 6.681 1.00 0.00 N ATOM 1209 CA MET A 78 0.877 -3.182 6.814 1.00 0.00 C ATOM 1210 C MET A 78 -0.060 -3.683 5.715 1.00 0.00 C ATOM 1211 O MET A 78 -0.843 -2.912 5.162 1.00 0.00 O ATOM 1212 CB MET A 78 0.258 -3.468 8.184 1.00 0.00 C ATOM 1213 CG MET A 78 1.176 -4.357 9.025 1.00 0.00 C ATOM 1214 SD MET A 78 0.900 -4.049 10.762 1.00 0.00 S ATOM 1215 CE MET A 78 0.744 -5.726 11.353 1.00 0.00 C ATOM 0 H MET A 78 0.308 -1.165 6.862 1.00 0.00 H new ATOM 0 HA MET A 78 1.829 -3.705 6.719 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.075 -2.530 8.708 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.709 -3.955 8.056 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.987 -5.406 8.799 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.218 -4.159 8.773 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.567 -5.718 12.428 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.092 -6.212 10.851 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.662 -6.273 11.141 1.00 0.00 H new ATOM 1225 N MET A 79 0.049 -4.972 5.430 1.00 0.00 N ATOM 1226 CA MET A 79 -0.779 -5.586 4.406 1.00 0.00 C ATOM 1227 C MET A 79 -1.473 -6.841 4.941 1.00 0.00 C ATOM 1228 O MET A 79 -0.835 -7.689 5.562 1.00 0.00 O ATOM 1229 CB MET A 79 0.088 -5.956 3.201 1.00 0.00 C ATOM 1230 CG MET A 79 -0.747 -6.009 1.920 1.00 0.00 C ATOM 1231 SD MET A 79 0.098 -6.976 0.680 1.00 0.00 S ATOM 1232 CE MET A 79 -0.714 -8.549 0.908 1.00 0.00 C ATOM 0 H MET A 79 0.699 -5.609 5.891 1.00 0.00 H new ATOM 0 HA MET A 79 -1.544 -4.870 4.107 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.889 -5.226 3.087 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.560 -6.923 3.372 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.723 -6.445 2.130 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.923 -4.999 1.548 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.079 -9.346 0.521 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.896 -8.714 1.970 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.664 -8.549 0.373 1.00 0.00 H new ATOM 1242 N MET A 80 -2.769 -6.918 4.680 1.00 0.00 N ATOM 1243 CA MET A 80 -3.556 -8.055 5.127 1.00 0.00 C ATOM 1244 C MET A 80 -4.426 -8.600 3.993 1.00 0.00 C ATOM 1245 O MET A 80 -5.100 -7.837 3.302 1.00 0.00 O ATOM 1246 CB MET A 80 -4.448 -7.630 6.296 1.00 0.00 C ATOM 1247 CG MET A 80 -3.793 -7.971 7.637 1.00 0.00 C ATOM 1248 SD MET A 80 -4.805 -9.138 8.531 1.00 0.00 S ATOM 1249 CE MET A 80 -6.269 -8.148 8.786 1.00 0.00 C ATOM 0 H MET A 80 -3.294 -6.212 4.165 1.00 0.00 H new ATOM 0 HA MET A 80 -2.873 -8.843 5.446 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.638 -6.558 6.242 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.414 -8.129 6.221 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.801 -8.390 7.470 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.661 -7.064 8.228 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.738 -8.428 9.729 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.995 -7.094 8.816 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.970 -8.318 7.969 1.00 0.00 H new ATOM 1259 N GLY A 81 -4.383 -9.915 3.836 1.00 0.00 N ATOM 1260 CA GLY A 81 -5.159 -10.570 2.798 1.00 0.00 C ATOM 1261 C GLY A 81 -4.593 -11.957 2.483 1.00 0.00 C ATOM 1262 O GLY A 81 -3.916 -12.558 3.316 1.00 0.00 O ATOM 0 H GLY A 81 -3.823 -10.544 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.197 -10.661 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.156 -9.958 1.896 1.00 0.00 H new ATOM 1266 N THR A 82 -4.892 -12.423 1.280 1.00 0.00 N ATOM 1267 CA THR A 82 -4.421 -13.727 0.845 1.00 0.00 C ATOM 1268 C THR A 82 -4.376 -13.796 -0.683 1.00 0.00 C ATOM 1269 O THR A 82 -5.076 -13.047 -1.363 1.00 0.00 O ATOM 1270 CB THR A 82 -5.324 -14.790 1.474 1.00 0.00 C ATOM 1271 OG1 THR A 82 -4.795 -16.023 0.996 1.00 0.00 O ATOM 1272 CG2 THR A 82 -6.748 -14.754 0.914 1.00 0.00 C ATOM 0 H THR A 82 -5.454 -11.921 0.593 1.00 0.00 H new ATOM 0 HA THR A 82 -3.399 -13.909 1.178 1.00 0.00 H new ATOM 0 HB THR A 82 -5.354 -14.647 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.321 -16.767 1.357 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.347 -15.528 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.192 -13.778 1.110 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.721 -14.930 -0.161 1.00 0.00 H new ATOM 1280 N ARG A 83 -3.544 -14.701 -1.178 1.00 0.00 N ATOM 1281 CA ARG A 83 -3.398 -14.877 -2.613 1.00 0.00 C ATOM 1282 C ARG A 83 -4.202 -16.091 -3.084 1.00 0.00 C ATOM 1283 O ARG A 83 -4.436 -17.021 -2.314 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.930 -15.066 -2.998 1.00 0.00 C ATOM 1285 CG ARG A 83 -1.432 -16.456 -2.598 1.00 0.00 C ATOM 1286 CD ARG A 83 0.005 -16.682 -3.070 1.00 0.00 C ATOM 1287 NE ARG A 83 0.956 -16.260 -2.017 1.00 0.00 N ATOM 1288 CZ ARG A 83 2.287 -16.376 -2.117 1.00 0.00 C ATOM 1289 NH1 ARG A 83 2.833 -16.900 -3.222 1.00 0.00 N ATOM 1290 NH2 ARG A 83 3.073 -15.967 -1.111 1.00 0.00 N ATOM 0 H ARG A 83 -2.964 -15.320 -0.611 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.776 -13.977 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.812 -14.929 -4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.322 -14.304 -2.511 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.484 -16.567 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.083 -17.217 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.157 -17.735 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.189 -16.119 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 83 0.574 -15.856 -1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.235 -17.211 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.846 -16.988 -3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.658 -15.567 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.086 -16.055 -1.187 1.00 0.00 H new