USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 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 92 GLN : amide:sc= -0.587 K(o=-0.39,f=-2.2) USER MOD Set 1.2: A 104 HIS : no HE2:sc= 0.197 K(o=-0.39,f=-5.1!) USER MOD Set 2.1: A 91 THR OG1 : rot -116:sc= 1.56 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.387 K(o=1.9,f=1.3) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -1.26 K(o=-1.2,f=-3.4!) USER MOD Set 3.2: A 109 SER OG : rot 134:sc= 0.0635 USER MOD Set 4.1: A 19 TYR OH : rot 79:sc= 0.248 USER MOD Set 4.2: A 49 TYR OH : rot 180:sc= 0.237 USER MOD Single : A 10 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.94) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.747) USER MOD Single : A 14 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.75) USER MOD Single : A 16 GLN : amide:sc= 1.18 K(o=1.2,f=-1.6) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 31:sc= 0.41 USER MOD Single : A 43 SER OG : rot -18:sc= 2.17 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 80:sc= -0.0156 USER MOD Single : A 61 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-2.7!) USER MOD Single : A 65 GLN : amide:sc= -1.8! C(o=-1.8!,f=-4.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.46) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.228 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= -0.0329 (180deg=-0.276) USER MOD Single : A 99 SER OG : rot 170:sc= -0.121 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -0.679 10.313 -8.134 1.00 0.00 N ATOM 67 CA GLU A 8 -0.845 10.760 -6.757 1.00 0.00 C ATOM 68 C GLU A 8 0.417 10.704 -5.879 1.00 0.00 C ATOM 69 O GLU A 8 0.321 10.670 -4.656 1.00 0.00 O ATOM 70 CB GLU A 8 -2.011 9.953 -6.154 1.00 0.00 C ATOM 71 CG GLU A 8 -3.364 10.393 -6.724 1.00 0.00 C ATOM 72 CD GLU A 8 -3.799 9.824 -8.078 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.068 9.057 -8.751 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.882 10.248 -8.524 1.00 0.00 O ATOM 0 HA GLU A 8 -1.064 11.828 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.860 8.892 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.016 10.076 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.132 10.138 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.352 11.480 -6.808 1.00 0.00 H new ATOM 81 N VAL A 9 1.613 10.707 -6.454 1.00 0.00 N ATOM 82 CA VAL A 9 2.848 10.499 -5.732 1.00 0.00 C ATOM 83 C VAL A 9 3.100 11.638 -4.744 1.00 0.00 C ATOM 84 O VAL A 9 3.398 11.401 -3.574 1.00 0.00 O ATOM 85 CB VAL A 9 3.991 10.392 -6.755 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.182 9.743 -6.067 1.00 0.00 C ATOM 87 CG2 VAL A 9 3.603 9.593 -8.013 1.00 0.00 C ATOM 0 H VAL A 9 1.747 10.857 -7.454 1.00 0.00 H new ATOM 0 HA VAL A 9 2.788 9.579 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 9 4.234 11.397 -7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.007 9.656 -6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.492 10.356 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.901 8.751 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.452 9.554 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.320 8.580 -7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.762 10.079 -8.508 1.00 0.00 H new ATOM 97 N GLN A 10 3.029 12.881 -5.234 1.00 0.00 N ATOM 98 CA GLN A 10 3.404 14.056 -4.461 1.00 0.00 C ATOM 99 C GLN A 10 2.225 14.564 -3.620 1.00 0.00 C ATOM 100 O GLN A 10 2.367 15.502 -2.832 1.00 0.00 O ATOM 101 CB GLN A 10 3.911 15.177 -5.387 1.00 0.00 C ATOM 102 CG GLN A 10 4.996 14.734 -6.382 1.00 0.00 C ATOM 103 CD GLN A 10 6.211 14.097 -5.702 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.717 14.577 -4.690 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.687 12.973 -6.215 1.00 0.00 N ATOM 0 H GLN A 10 2.709 13.094 -6.179 1.00 0.00 H new ATOM 0 HA GLN A 10 4.209 13.765 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.066 15.581 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.306 15.988 -4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.566 14.021 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.323 15.597 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.265 12.577 -7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.476 12.503 -5.770 1.00 0.00 H new ATOM 114 N LYS A 11 1.034 13.998 -3.828 1.00 0.00 N ATOM 115 CA LYS A 11 -0.174 14.280 -3.060 1.00 0.00 C ATOM 116 C LYS A 11 0.020 13.845 -1.604 1.00 0.00 C ATOM 117 O LYS A 11 0.928 13.059 -1.313 1.00 0.00 O ATOM 118 CB LYS A 11 -1.346 13.542 -3.732 1.00 0.00 C ATOM 119 CG LYS A 11 -1.875 14.308 -4.953 1.00 0.00 C ATOM 120 CD LYS A 11 -2.939 15.309 -4.513 1.00 0.00 C ATOM 121 CE LYS A 11 -3.571 16.065 -5.681 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.592 17.023 -5.206 1.00 0.00 N ATOM 0 H LYS A 11 0.882 13.307 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.390 15.348 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.022 12.548 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.152 13.406 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.056 14.828 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.296 13.611 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.720 14.782 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.492 16.025 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.798 16.598 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.027 15.356 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.883 17.639 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.419 16.502 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.194 17.604 -4.441 1.00 0.00 H new ATOM 136 N PRO A 12 -0.819 14.333 -0.674 1.00 0.00 N ATOM 137 CA PRO A 12 -0.781 13.841 0.686 1.00 0.00 C ATOM 138 C PRO A 12 -1.287 12.403 0.712 1.00 0.00 C ATOM 139 O PRO A 12 -1.952 11.936 -0.216 1.00 0.00 O ATOM 140 CB PRO A 12 -1.673 14.765 1.508 1.00 0.00 C ATOM 141 CG PRO A 12 -2.633 15.372 0.488 1.00 0.00 C ATOM 142 CD PRO A 12 -1.924 15.260 -0.865 1.00 0.00 C ATOM 0 HA PRO A 12 0.229 13.838 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.210 14.215 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.090 15.535 2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.583 14.838 0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.855 16.412 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.607 14.897 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.562 16.233 -1.195 1.00 0.00 H new ATOM 150 N LEU A 13 -1.021 11.708 1.811 1.00 0.00 N ATOM 151 CA LEU A 13 -1.572 10.390 2.074 1.00 0.00 C ATOM 152 C LEU A 13 -3.081 10.484 2.272 1.00 0.00 C ATOM 153 O LEU A 13 -3.804 9.582 1.853 1.00 0.00 O ATOM 154 CB LEU A 13 -0.833 9.801 3.278 1.00 0.00 C ATOM 155 CG LEU A 13 -1.175 8.334 3.619 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.016 7.756 4.383 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.375 8.198 4.557 1.00 0.00 C ATOM 0 H LEU A 13 -0.409 12.050 2.552 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.425 9.718 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.239 9.872 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.048 10.418 4.151 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.402 7.827 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.188 6.717 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.908 7.806 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.179 8.332 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.563 7.143 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.164 8.713 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.254 8.641 4.089 1.00 0.00 H new ATOM 169 N HIS A 14 -3.576 11.577 2.862 1.00 0.00 N ATOM 170 CA HIS A 14 -4.989 11.659 3.220 1.00 0.00 C ATOM 171 C HIS A 14 -5.915 11.823 2.004 1.00 0.00 C ATOM 172 O HIS A 14 -7.128 11.896 2.175 1.00 0.00 O ATOM 173 CB HIS A 14 -5.230 12.770 4.254 1.00 0.00 C ATOM 174 CG HIS A 14 -5.010 14.172 3.739 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.779 14.837 2.805 1.00 0.00 N ATOM 176 CD2 HIS A 14 -4.009 15.017 4.129 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.231 16.050 2.620 1.00 0.00 C ATOM 178 NE2 HIS A 14 -4.143 16.200 3.393 1.00 0.00 N ATOM 0 H HIS A 14 -3.026 12.403 3.097 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.248 10.701 3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.253 12.689 4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.571 12.603 5.106 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.252 14.809 4.871 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.613 16.800 1.943 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.533 17.017 3.435 1.00 0.00 H new ATOM 186 N GLU A 15 -5.400 11.933 0.782 1.00 0.00 N ATOM 187 CA GLU A 15 -6.160 12.144 -0.431 1.00 0.00 C ATOM 188 C GLU A 15 -6.005 10.922 -1.364 1.00 0.00 C ATOM 189 O GLU A 15 -6.516 10.911 -2.482 1.00 0.00 O ATOM 190 CB GLU A 15 -5.621 13.477 -0.965 1.00 0.00 C ATOM 191 CG GLU A 15 -6.092 13.811 -2.365 1.00 0.00 C ATOM 192 CD GLU A 15 -5.867 15.276 -2.749 1.00 0.00 C ATOM 193 OE1 GLU A 15 -4.953 15.939 -2.217 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.512 15.758 -3.710 1.00 0.00 O ATOM 0 H GLU A 15 -4.396 11.874 0.611 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.240 12.219 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.924 14.277 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.531 13.447 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.571 13.172 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.154 13.580 -2.448 1.00 0.00 H new ATOM 201 N GLN A 16 -5.274 9.893 -0.920 1.00 0.00 N ATOM 202 CA GLN A 16 -4.984 8.714 -1.720 1.00 0.00 C ATOM 203 C GLN A 16 -6.238 7.870 -1.929 1.00 0.00 C ATOM 204 O GLN A 16 -7.266 8.037 -1.274 1.00 0.00 O ATOM 205 CB GLN A 16 -3.870 7.891 -1.062 1.00 0.00 C ATOM 206 CG GLN A 16 -2.562 8.679 -0.979 1.00 0.00 C ATOM 207 CD GLN A 16 -1.942 9.007 -2.329 1.00 0.00 C ATOM 208 OE1 GLN A 16 -2.031 8.233 -3.277 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.269 10.139 -2.425 1.00 0.00 N ATOM 0 H GLN A 16 -4.867 9.862 0.015 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.640 9.039 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.180 7.593 -0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.708 6.976 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.745 9.609 -0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.844 8.107 -0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.209 10.766 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.809 10.386 -3.301 1.00 0.00 H new ATOM 218 N LEU A 17 -6.128 6.958 -2.888 1.00 0.00 N ATOM 219 CA LEU A 17 -7.218 6.179 -3.447 1.00 0.00 C ATOM 220 C LEU A 17 -7.236 4.826 -2.761 1.00 0.00 C ATOM 221 O LEU A 17 -8.270 4.406 -2.260 1.00 0.00 O ATOM 222 CB LEU A 17 -7.103 6.043 -4.983 1.00 0.00 C ATOM 223 CG LEU A 17 -5.708 5.805 -5.610 1.00 0.00 C ATOM 224 CD1 LEU A 17 -5.847 5.022 -6.921 1.00 0.00 C ATOM 225 CD2 LEU A 17 -4.960 7.115 -5.906 1.00 0.00 C ATOM 0 H LEU A 17 -5.230 6.733 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.162 6.693 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.747 5.219 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.513 6.951 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.132 5.240 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.860 4.860 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.319 4.060 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.461 5.589 -7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.988 6.888 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.542 7.716 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.819 7.671 -4.979 1.00 0.00 H new ATOM 237 N TRP A 18 -6.071 4.186 -2.689 1.00 0.00 N ATOM 238 CA TRP A 18 -5.836 2.948 -1.969 1.00 0.00 C ATOM 239 C TRP A 18 -5.890 3.129 -0.451 1.00 0.00 C ATOM 240 O TRP A 18 -5.826 2.130 0.269 1.00 0.00 O ATOM 241 CB TRP A 18 -4.482 2.395 -2.438 1.00 0.00 C ATOM 242 CG TRP A 18 -3.368 3.390 -2.617 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.860 3.793 -3.805 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.596 4.107 -1.603 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.836 4.690 -3.594 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.613 4.899 -2.256 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.622 4.173 -0.198 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.688 5.679 -1.554 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.704 4.956 0.527 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.722 5.698 -0.150 1.00 0.00 C ATOM 0 H TRP A 18 -5.232 4.536 -3.153 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.632 2.237 -2.191 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.154 1.644 -1.719 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.635 1.882 -3.387 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.206 3.461 -4.773 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.308 5.143 -4.340 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.368 3.607 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.047 6.263 -2.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.755 4.986 1.605 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.001 6.278 0.404 1.00 0.00 H new ATOM 261 N TYR A 19 -5.938 4.364 0.065 1.00 0.00 N ATOM 262 CA TYR A 19 -5.945 4.577 1.516 1.00 0.00 C ATOM 263 C TYR A 19 -7.359 4.396 2.105 1.00 0.00 C ATOM 264 O TYR A 19 -8.067 5.372 2.335 1.00 0.00 O ATOM 265 CB TYR A 19 -5.331 5.927 1.895 1.00 0.00 C ATOM 266 CG TYR A 19 -5.319 6.160 3.397 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.968 5.124 4.288 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.748 7.398 3.905 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.048 5.322 5.675 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.823 7.602 5.291 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.473 6.568 6.185 1.00 0.00 C ATOM 272 OH TYR A 19 -5.546 6.776 7.527 1.00 0.00 O ATOM 0 H TYR A 19 -5.972 5.218 -0.492 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.312 3.810 1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.311 5.978 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.892 6.726 1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.636 4.172 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.020 8.194 3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.785 4.522 6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.151 8.556 5.676 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.649 6.956 7.879 1.00 0.00 H new ATOM 282 N HIS A 20 -7.800 3.154 2.340 1.00 0.00 N ATOM 283 CA HIS A 20 -9.182 2.919 2.782 1.00 0.00 C ATOM 284 C HIS A 20 -9.405 3.357 4.243 1.00 0.00 C ATOM 285 O HIS A 20 -10.513 3.774 4.580 1.00 0.00 O ATOM 286 CB HIS A 20 -9.620 1.456 2.597 1.00 0.00 C ATOM 287 CG HIS A 20 -10.039 1.040 1.211 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.288 0.572 0.860 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.242 0.966 0.104 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.245 0.243 -0.442 1.00 0.00 C ATOM 291 NE2 HIS A 20 -10.007 0.430 -0.933 1.00 0.00 N ATOM 0 H HIS A 20 -7.234 2.312 2.235 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.806 3.539 2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.797 0.813 2.910 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.451 1.262 3.275 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -12.097 0.491 1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.207 1.268 0.042 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.086 -0.120 -1.014 1.00 0.00 H new ATOM 299 N GLY A 21 -8.394 3.292 5.119 1.00 0.00 N ATOM 300 CA GLY A 21 -8.426 3.715 6.502 1.00 0.00 C ATOM 301 C GLY A 21 -8.295 2.496 7.405 1.00 0.00 C ATOM 302 O GLY A 21 -7.575 1.547 7.113 1.00 0.00 O ATOM 0 H GLY A 21 -7.483 2.919 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.615 4.416 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.358 4.239 6.712 1.00 0.00 H new ATOM 306 N ALA A 22 -8.950 2.529 8.544 1.00 0.00 N ATOM 307 CA ALA A 22 -8.819 1.593 9.672 1.00 0.00 C ATOM 308 C ALA A 22 -9.538 0.246 9.479 1.00 0.00 C ATOM 309 O ALA A 22 -10.146 -0.312 10.396 1.00 0.00 O ATOM 310 CB ALA A 22 -9.276 2.307 10.935 1.00 0.00 C ATOM 0 H ALA A 22 -9.640 3.256 8.734 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.769 1.311 9.748 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.188 1.632 11.786 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.653 3.185 11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.315 2.616 10.823 1.00 0.00 H new ATOM 316 N ILE A 23 -9.475 -0.283 8.269 1.00 0.00 N ATOM 317 CA ILE A 23 -10.182 -1.490 7.835 1.00 0.00 C ATOM 318 C ILE A 23 -9.581 -2.772 8.480 1.00 0.00 C ATOM 319 O ILE A 23 -8.357 -2.874 8.642 1.00 0.00 O ATOM 320 CB ILE A 23 -10.317 -1.538 6.280 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.865 -2.875 5.657 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.654 -0.369 5.527 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.151 -3.032 4.169 1.00 0.00 C ATOM 0 H ILE A 23 -8.909 0.129 7.527 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.206 -1.450 8.208 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.393 -1.436 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.793 -2.987 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.354 -3.689 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.804 -0.495 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.102 0.571 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.586 -0.355 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.795 -4.005 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.225 -2.958 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.639 -2.245 3.615 1.00 0.00 H new ATOM 335 N PRO A 24 -10.404 -3.795 8.787 1.00 0.00 N ATOM 336 CA PRO A 24 -9.968 -5.114 9.258 1.00 0.00 C ATOM 337 C PRO A 24 -9.341 -5.950 8.131 1.00 0.00 C ATOM 338 O PRO A 24 -9.646 -5.763 6.954 1.00 0.00 O ATOM 339 CB PRO A 24 -11.241 -5.801 9.752 1.00 0.00 C ATOM 340 CG PRO A 24 -12.313 -5.205 8.853 1.00 0.00 C ATOM 341 CD PRO A 24 -11.851 -3.772 8.642 1.00 0.00 C ATOM 0 HA PRO A 24 -9.205 -5.015 10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.182 -6.885 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.432 -5.591 10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.389 -5.744 7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.296 -5.244 9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.139 -3.410 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.306 -3.103 9.372 1.00 0.00 H new ATOM 349 N ARG A 25 -8.551 -6.979 8.460 1.00 0.00 N ATOM 350 CA ARG A 25 -7.990 -7.852 7.422 1.00 0.00 C ATOM 351 C ARG A 25 -9.085 -8.564 6.633 1.00 0.00 C ATOM 352 O ARG A 25 -8.882 -8.836 5.459 1.00 0.00 O ATOM 353 CB ARG A 25 -6.965 -8.843 8.010 1.00 0.00 C ATOM 354 CG ARG A 25 -7.603 -10.131 8.543 1.00 0.00 C ATOM 355 CD ARG A 25 -6.587 -11.081 9.179 1.00 0.00 C ATOM 356 NE ARG A 25 -7.214 -12.365 9.539 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.145 -12.566 10.480 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.616 -11.565 11.219 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.643 -13.778 10.679 1.00 0.00 N ATOM 0 H ARG A 25 -8.290 -7.224 9.415 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.453 -7.217 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.235 -9.098 7.242 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.420 -8.355 8.818 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.364 -9.875 9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.110 -10.644 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.765 -11.256 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.160 -10.619 10.069 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.907 -13.186 9.017 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.268 -10.617 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.325 -11.745 11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.317 -14.562 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.352 -13.926 11.397 1.00 0.00 H new ATOM 373 N ALA A 26 -10.209 -8.881 7.278 1.00 0.00 N ATOM 374 CA ALA A 26 -11.269 -9.680 6.688 1.00 0.00 C ATOM 375 C ALA A 26 -11.923 -8.966 5.504 1.00 0.00 C ATOM 376 O ALA A 26 -12.365 -9.628 4.570 1.00 0.00 O ATOM 377 CB ALA A 26 -12.301 -10.004 7.771 1.00 0.00 C ATOM 0 H ALA A 26 -10.405 -8.584 8.234 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.842 -10.604 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.103 -10.604 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.821 -10.562 8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.714 -9.077 8.169 1.00 0.00 H new ATOM 383 N GLU A 27 -11.984 -7.634 5.532 1.00 0.00 N ATOM 384 CA GLU A 27 -12.625 -6.838 4.493 1.00 0.00 C ATOM 385 C GLU A 27 -11.788 -6.808 3.218 1.00 0.00 C ATOM 386 O GLU A 27 -12.338 -6.849 2.131 1.00 0.00 O ATOM 387 CB GLU A 27 -12.854 -5.422 5.038 1.00 0.00 C ATOM 388 CG GLU A 27 -14.155 -5.372 5.845 1.00 0.00 C ATOM 389 CD GLU A 27 -15.382 -5.456 4.944 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.673 -4.476 4.228 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.056 -6.513 4.961 1.00 0.00 O ATOM 0 H GLU A 27 -11.585 -7.075 6.286 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.581 -7.289 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.015 -5.126 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.901 -4.710 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.172 -6.195 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.190 -4.448 6.422 1.00 0.00 H new ATOM 398 N VAL A 28 -10.464 -6.807 3.340 1.00 0.00 N ATOM 399 CA VAL A 28 -9.498 -6.775 2.250 1.00 0.00 C ATOM 400 C VAL A 28 -9.954 -7.636 1.070 1.00 0.00 C ATOM 401 O VAL A 28 -10.110 -7.108 -0.024 1.00 0.00 O ATOM 402 CB VAL A 28 -8.113 -7.192 2.783 1.00 0.00 C ATOM 403 CG1 VAL A 28 -7.066 -7.257 1.674 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.593 -6.232 3.867 1.00 0.00 C ATOM 0 H VAL A 28 -10.012 -6.830 4.254 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.424 -5.758 1.866 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.259 -8.184 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.106 -7.555 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.374 -7.986 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.969 -6.277 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.615 -6.567 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.507 -5.228 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.288 -6.220 4.706 1.00 0.00 H new ATOM 414 N ALA A 29 -10.145 -8.943 1.258 1.00 0.00 N ATOM 415 CA ALA A 29 -10.376 -9.853 0.130 1.00 0.00 C ATOM 416 C ALA A 29 -11.684 -9.613 -0.638 1.00 0.00 C ATOM 417 O ALA A 29 -11.899 -10.228 -1.681 1.00 0.00 O ATOM 418 CB ALA A 29 -10.413 -11.288 0.618 1.00 0.00 C ATOM 0 H ALA A 29 -10.145 -9.394 2.173 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.547 -9.657 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.585 -11.955 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.462 -11.537 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.219 -11.405 1.343 1.00 0.00 H new ATOM 424 N GLU A 30 -12.610 -8.832 -0.091 1.00 0.00 N ATOM 425 CA GLU A 30 -13.786 -8.356 -0.806 1.00 0.00 C ATOM 426 C GLU A 30 -13.390 -7.270 -1.813 1.00 0.00 C ATOM 427 O GLU A 30 -13.961 -7.187 -2.896 1.00 0.00 O ATOM 428 CB GLU A 30 -14.801 -7.847 0.236 1.00 0.00 C ATOM 429 CG GLU A 30 -15.939 -6.996 -0.328 1.00 0.00 C ATOM 430 CD GLU A 30 -16.787 -7.734 -1.363 1.00 0.00 C ATOM 431 OE1 GLU A 30 -16.800 -8.989 -1.368 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.472 -7.040 -2.149 1.00 0.00 O ATOM 0 H GLU A 30 -12.563 -8.508 0.875 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.246 -9.159 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.231 -8.706 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.267 -7.262 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.580 -6.669 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.521 -6.098 -0.784 1.00 0.00 H new ATOM 439 N LEU A 31 -12.444 -6.417 -1.424 1.00 0.00 N ATOM 440 CA LEU A 31 -12.063 -5.206 -2.127 1.00 0.00 C ATOM 441 C LEU A 31 -11.078 -5.548 -3.237 1.00 0.00 C ATOM 442 O LEU A 31 -11.144 -4.973 -4.326 1.00 0.00 O ATOM 443 CB LEU A 31 -11.401 -4.238 -1.128 1.00 0.00 C ATOM 444 CG LEU A 31 -12.273 -3.935 0.111 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.455 -3.211 1.170 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.445 -3.024 -0.239 1.00 0.00 C ATOM 0 H LEU A 31 -11.902 -6.563 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.945 -4.739 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.452 -4.662 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.173 -3.302 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.638 -4.894 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.083 -3.004 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.615 -3.837 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.080 -2.272 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.037 -2.832 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.067 -2.081 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.070 -3.507 -0.990 1.00 0.00 H new ATOM 458 N LEU A 32 -10.131 -6.442 -2.938 1.00 0.00 N ATOM 459 CA LEU A 32 -9.119 -6.894 -3.877 1.00 0.00 C ATOM 460 C LEU A 32 -9.710 -8.059 -4.659 1.00 0.00 C ATOM 461 O LEU A 32 -10.208 -9.007 -4.049 1.00 0.00 O ATOM 462 CB LEU A 32 -7.835 -7.376 -3.173 1.00 0.00 C ATOM 463 CG LEU A 32 -7.389 -6.657 -1.889 1.00 0.00 C ATOM 464 CD1 LEU A 32 -6.053 -7.227 -1.444 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.268 -5.140 -2.006 1.00 0.00 C ATOM 0 H LEU A 32 -10.051 -6.875 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.844 -6.058 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.964 -8.432 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.018 -7.309 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.178 -6.835 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.728 -6.723 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.159 -8.294 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.312 -7.073 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.948 -4.726 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.534 -4.892 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.235 -4.718 -2.279 1.00 0.00 H new ATOM 477 N VAL A 33 -9.602 -8.047 -5.983 1.00 0.00 N ATOM 478 CA VAL A 33 -10.249 -9.034 -6.844 1.00 0.00 C ATOM 479 C VAL A 33 -9.257 -9.621 -7.846 1.00 0.00 C ATOM 480 O VAL A 33 -9.321 -10.819 -8.153 1.00 0.00 O ATOM 481 CB VAL A 33 -11.460 -8.322 -7.494 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.143 -9.088 -8.630 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.504 -8.000 -6.411 1.00 0.00 C ATOM 0 H VAL A 33 -9.061 -7.349 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.606 -9.898 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.050 -7.422 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.977 -8.501 -9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.426 -9.267 -9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.513 -10.042 -8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.358 -7.498 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.836 -8.925 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.059 -7.348 -5.659 1.00 0.00 H new ATOM 493 N HIS A 34 -8.324 -8.814 -8.341 1.00 0.00 N ATOM 494 CA HIS A 34 -7.327 -9.222 -9.317 1.00 0.00 C ATOM 495 C HIS A 34 -5.990 -9.364 -8.598 1.00 0.00 C ATOM 496 O HIS A 34 -5.780 -8.702 -7.584 1.00 0.00 O ATOM 497 CB HIS A 34 -7.266 -8.146 -10.403 1.00 0.00 C ATOM 498 CG HIS A 34 -8.608 -7.812 -11.005 1.00 0.00 C ATOM 499 ND1 HIS A 34 -9.254 -8.528 -11.989 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.402 -6.745 -10.673 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.413 -7.902 -12.253 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.524 -6.795 -11.503 1.00 0.00 N ATOM 0 H HIS A 34 -8.241 -7.835 -8.066 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.574 -10.177 -9.781 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.832 -7.240 -9.980 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.596 -8.480 -11.195 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.198 -6.005 -9.913 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.150 -8.241 -12.966 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.285 -6.117 -11.533 1.00 0.00 H new ATOM 510 N SER A 35 -5.059 -10.183 -9.099 1.00 0.00 N ATOM 511 CA SER A 35 -3.712 -10.204 -8.540 1.00 0.00 C ATOM 512 C SER A 35 -3.082 -8.837 -8.787 1.00 0.00 C ATOM 513 O SER A 35 -2.793 -8.484 -9.931 1.00 0.00 O ATOM 514 CB SER A 35 -2.852 -11.308 -9.164 1.00 0.00 C ATOM 515 OG SER A 35 -2.814 -11.237 -10.582 1.00 0.00 O ATOM 0 H SER A 35 -5.213 -10.827 -9.875 1.00 0.00 H new ATOM 0 HA SER A 35 -3.769 -10.417 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.837 -11.237 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.242 -12.280 -8.863 1.00 0.00 H new ATOM 0 HG SER A 35 -2.892 -10.302 -10.865 1.00 0.00 H new ATOM 521 N GLY A 36 -2.835 -8.083 -7.731 1.00 0.00 N ATOM 522 CA GLY A 36 -2.124 -6.829 -7.747 1.00 0.00 C ATOM 523 C GLY A 36 -2.866 -5.654 -7.134 1.00 0.00 C ATOM 524 O GLY A 36 -2.188 -4.671 -6.842 1.00 0.00 O ATOM 0 H GLY A 36 -3.143 -8.347 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.181 -6.958 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.878 -6.583 -8.780 1.00 0.00 H new ATOM 528 N ASP A 37 -4.192 -5.742 -6.972 1.00 0.00 N ATOM 529 CA ASP A 37 -5.046 -4.872 -6.160 1.00 0.00 C ATOM 530 C ASP A 37 -4.447 -4.764 -4.762 1.00 0.00 C ATOM 531 O ASP A 37 -4.458 -5.740 -4.011 1.00 0.00 O ATOM 532 CB ASP A 37 -6.469 -5.458 -6.031 1.00 0.00 C ATOM 533 CG ASP A 37 -7.407 -5.147 -7.191 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.388 -3.996 -7.685 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.210 -6.041 -7.538 1.00 0.00 O ATOM 0 H ASP A 37 -4.731 -6.473 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.105 -3.896 -6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.391 -6.540 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.917 -5.082 -5.111 1.00 0.00 H new ATOM 540 N PHE A 38 -3.917 -3.611 -4.377 1.00 0.00 N ATOM 541 CA PHE A 38 -3.500 -3.346 -3.009 1.00 0.00 C ATOM 542 C PHE A 38 -4.350 -2.224 -2.430 1.00 0.00 C ATOM 543 O PHE A 38 -4.917 -1.395 -3.146 1.00 0.00 O ATOM 544 CB PHE A 38 -1.978 -3.091 -2.922 1.00 0.00 C ATOM 545 CG PHE A 38 -1.525 -1.796 -3.565 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.547 -0.576 -2.862 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.149 -1.814 -4.917 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.260 0.625 -3.538 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.918 -0.616 -5.600 1.00 0.00 C ATOM 550 CZ PHE A 38 -0.986 0.608 -4.917 1.00 0.00 C ATOM 0 H PHE A 38 -3.764 -2.827 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.671 -4.228 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.682 -3.085 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.455 -3.921 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.783 -0.562 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.038 -2.757 -5.432 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.250 1.560 -2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.687 -0.633 -6.655 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.828 1.534 -5.449 1.00 0.00 H new ATOM 560 N LEU A 39 -4.417 -2.206 -1.102 1.00 0.00 N ATOM 561 CA LEU A 39 -4.943 -1.117 -0.308 1.00 0.00 C ATOM 562 C LEU A 39 -4.001 -0.936 0.868 1.00 0.00 C ATOM 563 O LEU A 39 -3.216 -1.829 1.214 1.00 0.00 O ATOM 564 CB LEU A 39 -6.404 -1.360 0.115 1.00 0.00 C ATOM 565 CG LEU A 39 -6.667 -2.380 1.243 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.664 -1.767 2.634 1.00 0.00 C ATOM 567 CD2 LEU A 39 -8.039 -3.015 1.036 1.00 0.00 C ATOM 0 H LEU A 39 -4.090 -2.987 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.985 -0.197 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.827 -0.404 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.958 -1.685 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.854 -3.105 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.855 -2.544 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.693 -1.311 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.441 -1.006 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.230 -3.737 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.805 -2.240 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.063 -3.522 0.072 1.00 0.00 H new ATOM 579 N VAL A 40 -4.084 0.228 1.486 1.00 0.00 N ATOM 580 CA VAL A 40 -3.394 0.549 2.713 1.00 0.00 C ATOM 581 C VAL A 40 -4.476 0.740 3.765 1.00 0.00 C ATOM 582 O VAL A 40 -5.519 1.347 3.499 1.00 0.00 O ATOM 583 CB VAL A 40 -2.538 1.797 2.499 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.897 2.243 3.800 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.419 1.535 1.475 1.00 0.00 C ATOM 0 H VAL A 40 -4.653 0.998 1.133 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.709 -0.234 3.038 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.201 2.577 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.293 3.133 3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.674 2.472 4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.262 1.445 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.827 2.441 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.777 0.731 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.859 1.248 0.520 1.00 0.00 H new ATOM 595 N ARG A 41 -4.239 0.137 4.926 1.00 0.00 N ATOM 596 CA ARG A 41 -5.169 0.110 6.034 1.00 0.00 C ATOM 597 C ARG A 41 -4.436 0.498 7.314 1.00 0.00 C ATOM 598 O ARG A 41 -3.205 0.524 7.312 1.00 0.00 O ATOM 599 CB ARG A 41 -5.828 -1.275 6.119 1.00 0.00 C ATOM 600 CG ARG A 41 -4.869 -2.331 6.670 1.00 0.00 C ATOM 601 CD ARG A 41 -5.496 -3.716 6.582 1.00 0.00 C ATOM 602 NE ARG A 41 -4.847 -4.637 7.525 1.00 0.00 N ATOM 603 CZ ARG A 41 -4.683 -5.954 7.396 1.00 0.00 C ATOM 604 NH1 ARG A 41 -4.852 -6.551 6.223 1.00 0.00 N ATOM 605 NH2 ARG A 41 -4.309 -6.685 8.439 1.00 0.00 N ATOM 0 H ARG A 41 -3.369 -0.358 5.121 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.970 0.835 5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.710 -1.218 6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.169 -1.576 5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.935 -2.311 6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.622 -2.102 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.562 -3.653 6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.402 -4.100 5.566 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.478 -4.220 8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.111 -6.001 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.723 -7.559 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.146 -6.239 9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.184 -7.692 8.337 1.00 0.00 H new ATOM 619 N GLU A 42 -5.142 0.699 8.422 1.00 0.00 N ATOM 620 CA GLU A 42 -4.545 1.051 9.710 1.00 0.00 C ATOM 621 C GLU A 42 -4.735 -0.067 10.739 1.00 0.00 C ATOM 622 O GLU A 42 -5.532 -0.987 10.540 1.00 0.00 O ATOM 623 CB GLU A 42 -5.070 2.424 10.163 1.00 0.00 C ATOM 624 CG GLU A 42 -4.140 3.113 11.174 1.00 0.00 C ATOM 625 CD GLU A 42 -4.729 3.151 12.580 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.740 3.852 12.794 1.00 0.00 O ATOM 627 OE2 GLU A 42 -4.135 2.512 13.486 1.00 0.00 O ATOM 0 H GLU A 42 -6.159 0.621 8.453 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.465 1.148 9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.192 3.067 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.057 2.301 10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.184 2.590 11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.938 4.131 10.841 1.00 0.00 H new ATOM 634 N SER A 43 -3.957 -0.017 11.819 1.00 0.00 N ATOM 635 CA SER A 43 -3.891 -0.989 12.901 1.00 0.00 C ATOM 636 C SER A 43 -5.173 -1.072 13.732 1.00 0.00 C ATOM 637 O SER A 43 -6.134 -0.327 13.526 1.00 0.00 O ATOM 638 CB SER A 43 -2.685 -0.649 13.790 1.00 0.00 C ATOM 639 OG SER A 43 -2.854 0.573 14.493 1.00 0.00 O ATOM 0 H SER A 43 -3.312 0.759 11.968 1.00 0.00 H new ATOM 0 HA SER A 43 -3.775 -1.976 12.453 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.526 -1.456 14.505 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.789 -0.588 13.173 1.00 0.00 H new ATOM 0 HG SER A 43 -3.559 1.102 14.064 1.00 0.00 H new ATOM 645 N GLN A 44 -5.163 -1.957 14.735 1.00 0.00 N ATOM 646 CA GLN A 44 -6.201 -2.025 15.755 1.00 0.00 C ATOM 647 C GLN A 44 -6.179 -0.813 16.702 1.00 0.00 C ATOM 648 O GLN A 44 -7.045 -0.727 17.574 1.00 0.00 O ATOM 649 CB GLN A 44 -6.097 -3.345 16.545 1.00 0.00 C ATOM 650 CG GLN A 44 -4.852 -3.431 17.443 1.00 0.00 C ATOM 651 CD GLN A 44 -4.859 -4.671 18.334 1.00 0.00 C ATOM 652 OE1 GLN A 44 -4.176 -5.653 18.044 1.00 0.00 O ATOM 653 NE2 GLN A 44 -5.589 -4.665 19.437 1.00 0.00 N ATOM 0 H GLN A 44 -4.425 -2.650 14.858 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.160 -1.999 15.238 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.988 -3.460 17.162 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.086 -4.179 15.843 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.958 -3.441 16.819 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.796 -2.539 18.067 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.153 -3.848 19.671 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.588 -5.478 20.053 1.00 0.00 H new ATOM 662 N GLY A 45 -5.178 0.067 16.603 1.00 0.00 N ATOM 663 CA GLY A 45 -4.928 1.148 17.543 1.00 0.00 C ATOM 664 C GLY A 45 -3.515 1.025 18.101 1.00 0.00 C ATOM 665 O GLY A 45 -3.332 0.755 19.291 1.00 0.00 O ATOM 0 H GLY A 45 -4.502 0.040 15.840 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.051 2.111 17.047 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.655 1.113 18.355 1.00 0.00 H new ATOM 669 N LYS A 46 -2.526 1.188 17.223 1.00 0.00 N ATOM 670 CA LYS A 46 -1.080 1.154 17.471 1.00 0.00 C ATOM 671 C LYS A 46 -0.360 2.329 16.824 1.00 0.00 C ATOM 672 O LYS A 46 0.862 2.423 16.938 1.00 0.00 O ATOM 673 CB LYS A 46 -0.490 -0.152 16.915 1.00 0.00 C ATOM 674 CG LYS A 46 -0.758 -1.332 17.838 1.00 0.00 C ATOM 675 CD LYS A 46 0.266 -1.353 18.975 1.00 0.00 C ATOM 676 CE LYS A 46 0.099 -2.594 19.845 1.00 0.00 C ATOM 677 NZ LYS A 46 -1.003 -2.465 20.809 1.00 0.00 N ATOM 0 H LYS A 46 -2.729 1.362 16.239 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.935 1.216 18.550 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.917 -0.355 15.933 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.585 -0.035 16.777 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.766 -1.262 18.247 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.707 -2.264 17.274 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.274 -1.329 18.561 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.152 -0.458 19.587 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.081 -3.459 19.207 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.028 -2.783 20.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.073 -3.335 21.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.821 -1.657 21.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.895 -2.312 20.298 1.00 0.00 H new ATOM 691 N GLN A 47 -1.112 3.188 16.141 1.00 0.00 N ATOM 692 CA GLN A 47 -0.621 4.248 15.280 1.00 0.00 C ATOM 693 C GLN A 47 0.272 3.670 14.165 1.00 0.00 C ATOM 694 O GLN A 47 1.322 4.240 13.866 1.00 0.00 O ATOM 695 CB GLN A 47 0.034 5.366 16.112 1.00 0.00 C ATOM 696 CG GLN A 47 -0.964 6.019 17.075 1.00 0.00 C ATOM 697 CD GLN A 47 -1.806 7.107 16.420 1.00 0.00 C ATOM 698 OE1 GLN A 47 -1.314 8.192 16.126 1.00 0.00 O ATOM 699 NE2 GLN A 47 -3.097 6.889 16.245 1.00 0.00 N ATOM 0 H GLN A 47 -2.131 3.158 16.178 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.456 4.724 14.766 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.870 4.955 16.678 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.443 6.124 15.444 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.624 5.252 17.479 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.420 6.447 17.917 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.500 5.985 16.491 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.691 7.625 15.863 1.00 0.00 H new ATOM 708 N GLU A 48 -0.117 2.527 13.577 1.00 0.00 N ATOM 709 CA GLU A 48 0.669 1.845 12.554 1.00 0.00 C ATOM 710 C GLU A 48 -0.214 1.469 11.354 1.00 0.00 C ATOM 711 O GLU A 48 -1.361 1.067 11.543 1.00 0.00 O ATOM 712 CB GLU A 48 1.316 0.603 13.186 1.00 0.00 C ATOM 713 CG GLU A 48 2.186 -0.193 12.205 1.00 0.00 C ATOM 714 CD GLU A 48 3.485 0.533 11.840 1.00 0.00 C ATOM 715 OE1 GLU A 48 3.426 1.518 11.069 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.543 0.110 12.375 1.00 0.00 O ATOM 0 H GLU A 48 -0.991 2.053 13.804 1.00 0.00 H new ATOM 0 HA GLU A 48 1.451 2.506 12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.927 0.912 14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.533 -0.047 13.577 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.427 -1.161 12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.616 -0.388 11.296 1.00 0.00 H new ATOM 723 N TYR A 49 0.314 1.535 10.129 1.00 0.00 N ATOM 724 CA TYR A 49 -0.392 1.145 8.911 1.00 0.00 C ATOM 725 C TYR A 49 0.030 -0.252 8.430 1.00 0.00 C ATOM 726 O TYR A 49 1.105 -0.755 8.764 1.00 0.00 O ATOM 727 CB TYR A 49 -0.170 2.189 7.817 1.00 0.00 C ATOM 728 CG TYR A 49 -0.800 3.548 8.056 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.193 3.657 8.221 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.016 4.717 8.023 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.801 4.917 8.357 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.620 5.978 8.144 1.00 0.00 C ATOM 733 CZ TYR A 49 -2.021 6.091 8.300 1.00 0.00 C ATOM 734 OH TYR A 49 -2.604 7.317 8.345 1.00 0.00 O ATOM 0 H TYR A 49 1.262 1.868 9.955 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.456 1.097 9.141 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.903 2.326 7.686 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.557 1.791 6.879 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.801 2.764 8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.055 4.643 7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.868 4.986 8.506 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.010 6.869 8.118 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.913 8.010 8.295 1.00 0.00 H new ATOM 744 N VAL A 50 -0.788 -0.869 7.578 1.00 0.00 N ATOM 745 CA VAL A 50 -0.572 -2.176 6.976 1.00 0.00 C ATOM 746 C VAL A 50 -0.878 -2.045 5.481 1.00 0.00 C ATOM 747 O VAL A 50 -1.863 -1.422 5.086 1.00 0.00 O ATOM 748 CB VAL A 50 -1.506 -3.211 7.635 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.408 -4.601 6.980 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.309 -3.407 9.136 1.00 0.00 C ATOM 0 H VAL A 50 -1.665 -0.444 7.276 1.00 0.00 H new ATOM 0 HA VAL A 50 0.455 -2.512 7.121 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.489 -2.768 7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.087 -5.289 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.681 -4.527 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.387 -4.972 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.014 -4.154 9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.290 -3.744 9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.482 -2.463 9.652 1.00 0.00 H new ATOM 760 N LEU A 51 -0.056 -2.658 4.639 1.00 0.00 N ATOM 761 CA LEU A 51 -0.264 -2.822 3.211 1.00 0.00 C ATOM 762 C LEU A 51 -0.927 -4.174 2.987 1.00 0.00 C ATOM 763 O LEU A 51 -0.475 -5.171 3.553 1.00 0.00 O ATOM 764 CB LEU A 51 1.128 -2.838 2.556 1.00 0.00 C ATOM 765 CG LEU A 51 1.147 -2.732 1.028 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.636 -1.373 0.542 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.595 -2.929 0.568 1.00 0.00 C ATOM 0 H LEU A 51 0.820 -3.076 4.954 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.884 -2.027 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.711 -2.013 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.634 -3.760 2.844 1.00 0.00 H new ATOM 0 HG LEU A 51 0.487 -3.492 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.667 -1.341 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.390 -1.228 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.267 -0.581 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.644 -2.859 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.225 -2.157 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.947 -3.911 0.885 1.00 0.00 H new ATOM 779 N SER A 52 -1.978 -4.254 2.177 1.00 0.00 N ATOM 780 CA SER A 52 -2.706 -5.497 1.925 1.00 0.00 C ATOM 781 C SER A 52 -2.879 -5.680 0.422 1.00 0.00 C ATOM 782 O SER A 52 -3.453 -4.795 -0.203 1.00 0.00 O ATOM 783 CB SER A 52 -4.053 -5.457 2.640 1.00 0.00 C ATOM 784 OG SER A 52 -3.881 -5.083 3.994 1.00 0.00 O ATOM 0 H SER A 52 -2.353 -3.451 1.671 1.00 0.00 H new ATOM 0 HA SER A 52 -2.145 -6.347 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.716 -4.749 2.142 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.531 -6.435 2.584 1.00 0.00 H new ATOM 0 HG SER A 52 -3.777 -4.110 4.054 1.00 0.00 H new ATOM 790 N VAL A 53 -2.407 -6.790 -0.152 1.00 0.00 N ATOM 791 CA VAL A 53 -2.559 -7.115 -1.576 1.00 0.00 C ATOM 792 C VAL A 53 -2.996 -8.578 -1.726 1.00 0.00 C ATOM 793 O VAL A 53 -2.564 -9.428 -0.951 1.00 0.00 O ATOM 794 CB VAL A 53 -1.248 -6.844 -2.316 1.00 0.00 C ATOM 795 CG1 VAL A 53 -0.181 -7.858 -1.925 1.00 0.00 C ATOM 796 CG2 VAL A 53 -1.350 -6.868 -3.851 1.00 0.00 C ATOM 0 H VAL A 53 -1.898 -7.504 0.369 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.329 -6.483 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.985 -5.831 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.741 -7.643 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.004 -7.796 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.523 -8.862 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.370 -6.665 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.695 -7.849 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.057 -6.107 -4.181 1.00 0.00 H new ATOM 806 N LEU A 54 -3.794 -8.891 -2.741 1.00 0.00 N ATOM 807 CA LEU A 54 -4.167 -10.233 -3.174 1.00 0.00 C ATOM 808 C LEU A 54 -3.024 -10.744 -4.038 1.00 0.00 C ATOM 809 O LEU A 54 -2.684 -10.114 -5.036 1.00 0.00 O ATOM 810 CB LEU A 54 -5.487 -10.149 -3.969 1.00 0.00 C ATOM 811 CG LEU A 54 -6.379 -11.387 -4.045 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.855 -11.831 -2.670 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.546 -11.087 -4.972 1.00 0.00 C ATOM 0 H LEU A 54 -4.224 -8.169 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.328 -10.913 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.080 -9.341 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.240 -9.857 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.801 -12.220 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.486 -12.714 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.994 -12.070 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.427 -11.027 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.193 -11.962 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.114 -10.244 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.168 -10.840 -5.964 1.00 0.00 H new ATOM 825 N TRP A 55 -2.393 -11.839 -3.657 1.00 0.00 N ATOM 826 CA TRP A 55 -1.325 -12.454 -4.411 1.00 0.00 C ATOM 827 C TRP A 55 -1.705 -13.922 -4.486 1.00 0.00 C ATOM 828 O TRP A 55 -1.790 -14.580 -3.453 1.00 0.00 O ATOM 829 CB TRP A 55 0.026 -12.140 -3.745 1.00 0.00 C ATOM 830 CG TRP A 55 1.181 -12.016 -4.688 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.333 -12.717 -4.621 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.328 -11.109 -5.825 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.165 -12.330 -5.650 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.623 -11.300 -6.390 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.511 -10.119 -6.412 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.111 -10.501 -7.438 1.00 0.00 C ATOM 837 CZ3 TRP A 55 0.966 -9.356 -7.503 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.262 -9.548 -8.015 1.00 0.00 C ATOM 0 H TRP A 55 -2.617 -12.334 -2.794 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.200 -12.076 -5.426 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.069 -11.209 -3.186 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.249 -12.925 -3.022 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.566 -13.464 -3.877 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.073 -12.755 -5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.479 -9.944 -6.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.124 -10.620 -7.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.316 -8.618 -7.950 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.603 -8.960 -8.854 1.00 0.00 H new ATOM 849 N ASP A 56 -2.059 -14.387 -5.684 1.00 0.00 N ATOM 850 CA ASP A 56 -2.561 -15.732 -5.968 1.00 0.00 C ATOM 851 C ASP A 56 -3.834 -16.041 -5.167 1.00 0.00 C ATOM 852 O ASP A 56 -3.979 -17.101 -4.557 1.00 0.00 O ATOM 853 CB ASP A 56 -1.423 -16.736 -5.761 1.00 0.00 C ATOM 854 CG ASP A 56 -1.590 -18.028 -6.553 1.00 0.00 C ATOM 855 OD1 ASP A 56 -2.643 -18.704 -6.512 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.601 -18.416 -7.223 1.00 0.00 O ATOM 0 H ASP A 56 -2.001 -13.809 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.875 -15.808 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.481 -16.267 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.353 -16.978 -4.700 1.00 0.00 H new ATOM 861 N GLY A 57 -4.764 -15.080 -5.125 1.00 0.00 N ATOM 862 CA GLY A 57 -6.028 -15.202 -4.405 1.00 0.00 C ATOM 863 C GLY A 57 -5.866 -15.151 -2.886 1.00 0.00 C ATOM 864 O GLY A 57 -6.816 -15.412 -2.146 1.00 0.00 O ATOM 0 H GLY A 57 -4.654 -14.184 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.696 -14.400 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.506 -16.142 -4.681 1.00 0.00 H new ATOM 868 N LEU A 58 -4.673 -14.819 -2.394 1.00 0.00 N ATOM 869 CA LEU A 58 -4.351 -14.762 -0.980 1.00 0.00 C ATOM 870 C LEU A 58 -4.083 -13.305 -0.636 1.00 0.00 C ATOM 871 O LEU A 58 -3.052 -12.777 -1.050 1.00 0.00 O ATOM 872 CB LEU A 58 -3.169 -15.681 -0.669 1.00 0.00 C ATOM 873 CG LEU A 58 -2.924 -15.933 0.826 1.00 0.00 C ATOM 874 CD1 LEU A 58 -1.830 -16.995 0.940 1.00 0.00 C ATOM 875 CD2 LEU A 58 -2.491 -14.677 1.587 1.00 0.00 C ATOM 0 H LEU A 58 -3.884 -14.576 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.175 -15.122 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.332 -16.639 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.267 -15.249 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.862 -16.257 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.630 -17.199 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.159 -17.911 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.920 -16.633 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.334 -14.924 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.563 -14.296 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.267 -13.916 1.505 1.00 0.00 H new ATOM 887 N PRO A 59 -4.983 -12.638 0.100 1.00 0.00 N ATOM 888 CA PRO A 59 -4.758 -11.296 0.594 1.00 0.00 C ATOM 889 C PRO A 59 -3.637 -11.356 1.628 1.00 0.00 C ATOM 890 O PRO A 59 -3.873 -11.646 2.801 1.00 0.00 O ATOM 891 CB PRO A 59 -6.095 -10.830 1.165 1.00 0.00 C ATOM 892 CG PRO A 59 -6.741 -12.138 1.600 1.00 0.00 C ATOM 893 CD PRO A 59 -6.231 -13.168 0.617 1.00 0.00 C ATOM 0 HA PRO A 59 -4.439 -10.586 -0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.962 -10.145 2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.695 -10.309 0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.463 -12.395 2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.829 -12.070 1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.075 -14.130 1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.949 -13.331 -0.187 1.00 0.00 H new ATOM 901 N ARG A 60 -2.397 -11.140 1.199 1.00 0.00 N ATOM 902 CA ARG A 60 -1.286 -10.938 2.104 1.00 0.00 C ATOM 903 C ARG A 60 -1.556 -9.658 2.882 1.00 0.00 C ATOM 904 O ARG A 60 -2.407 -8.828 2.532 1.00 0.00 O ATOM 905 CB ARG A 60 0.014 -10.819 1.285 1.00 0.00 C ATOM 906 CG ARG A 60 0.333 -11.986 0.327 1.00 0.00 C ATOM 907 CD ARG A 60 0.931 -13.196 1.059 1.00 0.00 C ATOM 908 NE ARG A 60 1.228 -14.317 0.141 1.00 0.00 N ATOM 909 CZ ARG A 60 2.109 -15.305 0.370 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.816 -15.338 1.498 1.00 0.00 N ATOM 911 NH2 ARG A 60 2.306 -16.259 -0.537 1.00 0.00 N ATOM 0 H ARG A 60 -2.141 -11.101 0.212 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.177 -11.773 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.034 -9.901 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.847 -10.711 1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.579 -12.290 -0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.032 -11.645 -0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.846 -12.894 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.235 -13.533 1.827 1.00 0.00 H new ATOM 0 HE ARG A 60 0.720 -14.342 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.692 -14.608 2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.482 -16.093 1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.786 -16.244 -1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.977 -17.005 -0.355 1.00 0.00 H new ATOM 925 N HIS A 61 -0.801 -9.489 3.957 1.00 0.00 N ATOM 926 CA HIS A 61 -0.747 -8.242 4.684 1.00 0.00 C ATOM 927 C HIS A 61 0.689 -8.115 5.168 1.00 0.00 C ATOM 928 O HIS A 61 1.201 -9.046 5.801 1.00 0.00 O ATOM 929 CB HIS A 61 -1.778 -8.191 5.828 1.00 0.00 C ATOM 930 CG HIS A 61 -2.852 -9.256 5.809 1.00 0.00 C ATOM 931 ND1 HIS A 61 -4.018 -9.257 5.070 1.00 0.00 N ATOM 932 CD2 HIS A 61 -2.756 -10.470 6.423 1.00 0.00 C ATOM 933 CE1 HIS A 61 -4.649 -10.423 5.312 1.00 0.00 C ATOM 934 NE2 HIS A 61 -3.923 -11.183 6.153 1.00 0.00 N ATOM 0 H HIS A 61 -0.207 -10.221 4.347 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.017 -7.396 4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.243 -8.262 6.775 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.263 -7.215 5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.922 -10.818 7.015 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.602 -10.707 4.891 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -4.177 -12.100 6.520 1.00 0.00 H new ATOM 942 N PHE A 62 1.345 -7.004 4.866 1.00 0.00 N ATOM 943 CA PHE A 62 2.676 -6.668 5.348 1.00 0.00 C ATOM 944 C PHE A 62 2.529 -5.336 6.072 1.00 0.00 C ATOM 945 O PHE A 62 1.831 -4.453 5.582 1.00 0.00 O ATOM 946 CB PHE A 62 3.681 -6.604 4.182 1.00 0.00 C ATOM 947 CG PHE A 62 3.702 -7.843 3.297 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.444 -8.985 3.650 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.958 -7.853 2.104 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.456 -10.106 2.798 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.920 -8.995 1.287 1.00 0.00 C ATOM 952 CZ PHE A 62 3.692 -10.122 1.619 1.00 0.00 C ATOM 0 H PHE A 62 0.951 -6.287 4.257 1.00 0.00 H new ATOM 0 HA PHE A 62 3.073 -7.425 6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.447 -5.736 3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.680 -6.446 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.004 -9.002 4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.408 -6.971 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.060 -10.964 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.298 -9.007 0.404 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.698 -10.989 0.976 1.00 0.00 H new ATOM 962 N ILE A 63 3.086 -5.196 7.273 1.00 0.00 N ATOM 963 CA ILE A 63 3.059 -3.924 7.989 1.00 0.00 C ATOM 964 C ILE A 63 3.824 -2.899 7.140 1.00 0.00 C ATOM 965 O ILE A 63 4.827 -3.237 6.496 1.00 0.00 O ATOM 966 CB ILE A 63 3.598 -4.129 9.423 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.500 -4.765 10.311 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.130 -2.847 10.069 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.483 -3.771 10.896 1.00 0.00 C ATOM 0 H ILE A 63 3.562 -5.949 7.771 1.00 0.00 H new ATOM 0 HA ILE A 63 2.051 -3.532 8.124 1.00 0.00 H new ATOM 0 HB ILE A 63 4.452 -4.802 9.342 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.962 -5.508 9.722 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.980 -5.296 11.133 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.491 -3.068 11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.948 -2.450 9.469 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.330 -2.109 10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.755 -4.310 11.502 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.003 -3.041 11.517 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.969 -3.256 10.084 1.00 0.00 H new ATOM 981 N ILE A 64 3.318 -1.666 7.085 1.00 0.00 N ATOM 982 CA ILE A 64 4.002 -0.571 6.431 1.00 0.00 C ATOM 983 C ILE A 64 5.314 -0.312 7.166 1.00 0.00 C ATOM 984 O ILE A 64 5.434 -0.438 8.381 1.00 0.00 O ATOM 985 CB ILE A 64 3.087 0.668 6.327 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.847 0.331 5.472 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.814 1.917 5.800 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.060 0.385 3.966 1.00 0.00 C ATOM 0 H ILE A 64 2.421 -1.408 7.496 1.00 0.00 H new ATOM 0 HA ILE A 64 4.247 -0.828 5.400 1.00 0.00 H new ATOM 0 HB ILE A 64 2.768 0.923 7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.504 -0.669 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.047 1.023 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.115 2.752 5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.635 2.170 6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.208 1.715 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.129 0.132 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.370 1.390 3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.834 -0.328 3.682 1.00 0.00 H new ATOM 1000 N GLN A 65 6.297 0.032 6.354 1.00 0.00 N ATOM 1001 CA GLN A 65 7.671 0.342 6.689 1.00 0.00 C ATOM 1002 C GLN A 65 7.737 1.476 7.701 1.00 0.00 C ATOM 1003 O GLN A 65 6.775 2.226 7.833 1.00 0.00 O ATOM 1004 CB GLN A 65 8.392 0.751 5.390 1.00 0.00 C ATOM 1005 CG GLN A 65 7.990 -0.068 4.136 1.00 0.00 C ATOM 1006 CD GLN A 65 6.734 0.419 3.416 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.669 -0.185 3.535 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.814 1.509 2.670 1.00 0.00 N ATOM 0 H GLN A 65 6.136 0.108 5.350 1.00 0.00 H new ATOM 0 HA GLN A 65 8.150 -0.529 7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.193 1.805 5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.467 0.652 5.541 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.821 -0.055 3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.840 -1.106 4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.703 2.001 2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.987 1.857 2.186 1.00 0.00 H new ATOM 1017 N SER A 66 8.891 1.657 8.336 1.00 0.00 N ATOM 1018 CA SER A 66 9.259 2.795 9.162 1.00 0.00 C ATOM 1019 C SER A 66 10.658 2.491 9.687 1.00 0.00 C ATOM 1020 O SER A 66 10.925 1.351 10.079 1.00 0.00 O ATOM 1021 CB SER A 66 8.290 2.959 10.331 1.00 0.00 C ATOM 1022 OG SER A 66 8.423 4.234 10.927 1.00 0.00 O ATOM 0 H SER A 66 9.640 0.967 8.282 1.00 0.00 H new ATOM 0 HA SER A 66 9.227 3.721 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.267 2.823 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.478 2.185 11.075 1.00 0.00 H new ATOM 0 HG SER A 66 7.791 4.315 11.671 1.00 0.00 H new ATOM 1028 N LEU A 67 11.554 3.472 9.661 1.00 0.00 N ATOM 1029 CA LEU A 67 12.968 3.281 9.975 1.00 0.00 C ATOM 1030 C LEU A 67 13.561 4.410 10.797 1.00 0.00 C ATOM 1031 O LEU A 67 14.410 4.142 11.645 1.00 0.00 O ATOM 1032 CB LEU A 67 13.820 3.076 8.710 1.00 0.00 C ATOM 1033 CG LEU A 67 13.592 4.080 7.556 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.852 4.120 6.684 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.385 3.660 6.703 1.00 0.00 C ATOM 0 H LEU A 67 11.317 4.434 9.419 1.00 0.00 H new ATOM 0 HA LEU A 67 12.997 2.375 10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.871 3.117 8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.632 2.072 8.331 1.00 0.00 H new ATOM 0 HG LEU A 67 13.390 5.067 7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.706 4.825 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.702 4.437 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.045 3.127 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.241 4.379 5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.565 2.672 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.491 3.631 7.326 1.00 0.00 H new ATOM 1047 N ASP A 68 13.176 5.660 10.554 1.00 0.00 N ATOM 1048 CA ASP A 68 13.605 6.761 11.407 1.00 0.00 C ATOM 1049 C ASP A 68 12.685 7.948 11.209 1.00 0.00 C ATOM 1050 O ASP A 68 12.098 8.455 12.159 1.00 0.00 O ATOM 1051 CB ASP A 68 15.057 7.152 11.086 1.00 0.00 C ATOM 1052 CG ASP A 68 15.967 6.795 12.251 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.721 7.286 13.378 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.962 6.065 12.031 1.00 0.00 O ATOM 0 H ASP A 68 12.572 5.933 9.779 1.00 0.00 H new ATOM 0 HA ASP A 68 13.557 6.443 12.448 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.389 6.637 10.185 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.117 8.221 10.883 1.00 0.00 H new ATOM 1059 N ASN A 69 12.563 8.390 9.959 1.00 0.00 N ATOM 1060 CA ASN A 69 11.693 9.480 9.542 1.00 0.00 C ATOM 1061 C ASN A 69 11.292 9.279 8.076 1.00 0.00 C ATOM 1062 O ASN A 69 11.215 10.240 7.311 1.00 0.00 O ATOM 1063 CB ASN A 69 12.437 10.808 9.744 1.00 0.00 C ATOM 1064 CG ASN A 69 11.499 11.992 9.599 1.00 0.00 C ATOM 1065 OD1 ASN A 69 10.426 12.044 10.203 1.00 0.00 O ATOM 1066 ND2 ASN A 69 11.882 12.967 8.804 1.00 0.00 N ATOM 0 H ASN A 69 13.087 7.983 9.184 1.00 0.00 H new ATOM 0 HA ASN A 69 10.782 9.497 10.140 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.896 10.824 10.733 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.244 10.890 9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.287 13.786 8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.774 12.904 8.313 1.00 0.00 H new ATOM 1073 N LEU A 70 11.239 8.021 7.628 1.00 0.00 N ATOM 1074 CA LEU A 70 11.005 7.618 6.248 1.00 0.00 C ATOM 1075 C LEU A 70 10.144 6.354 6.254 1.00 0.00 C ATOM 1076 O LEU A 70 9.828 5.813 7.316 1.00 0.00 O ATOM 1077 CB LEU A 70 12.345 7.302 5.556 1.00 0.00 C ATOM 1078 CG LEU A 70 13.432 8.389 5.647 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.802 7.721 5.744 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.298 9.362 4.478 1.00 0.00 C ATOM 0 H LEU A 70 11.365 7.223 8.251 1.00 0.00 H new ATOM 0 HA LEU A 70 10.506 8.425 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.743 6.383 5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.148 7.103 4.503 1.00 0.00 H new ATOM 0 HG LEU A 70 13.309 8.989 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.576 8.486 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.838 7.092 6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.971 7.108 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.071 10.127 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.411 8.820 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.316 9.834 4.508 1.00 0.00 H new ATOM 1092 N TYR A 71 9.891 5.787 5.078 1.00 0.00 N ATOM 1093 CA TYR A 71 9.310 4.464 4.889 1.00 0.00 C ATOM 1094 C TYR A 71 10.099 3.822 3.759 1.00 0.00 C ATOM 1095 O TYR A 71 10.263 4.481 2.738 1.00 0.00 O ATOM 1096 CB TYR A 71 7.836 4.632 4.467 1.00 0.00 C ATOM 1097 CG TYR A 71 7.034 5.634 5.271 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.381 5.226 6.441 1.00 0.00 C ATOM 1099 CD2 TYR A 71 6.949 6.977 4.859 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.637 6.136 7.203 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.209 7.901 5.613 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.548 7.487 6.794 1.00 0.00 C ATOM 1103 OH TYR A 71 4.842 8.389 7.534 1.00 0.00 O ATOM 0 H TYR A 71 10.094 6.257 4.196 1.00 0.00 H new ATOM 0 HA TYR A 71 9.349 3.858 5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.809 4.930 3.419 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.344 3.662 4.536 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.452 4.197 6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.455 7.298 3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.133 5.807 8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.144 8.930 5.291 1.00 0.00 H new ATOM 0 HH TYR A 71 4.888 9.270 7.107 1.00 0.00 H new ATOM 1113 N ARG A 72 10.594 2.587 3.902 1.00 0.00 N ATOM 1114 CA ARG A 72 11.382 1.888 2.879 1.00 0.00 C ATOM 1115 C ARG A 72 11.161 0.390 2.961 1.00 0.00 C ATOM 1116 O ARG A 72 11.059 -0.110 4.076 1.00 0.00 O ATOM 1117 CB ARG A 72 12.865 2.187 3.093 1.00 0.00 C ATOM 1118 CG ARG A 72 13.579 1.461 4.239 1.00 0.00 C ATOM 1119 CD ARG A 72 14.049 0.036 3.879 1.00 0.00 C ATOM 1120 NE ARG A 72 15.389 -0.251 4.402 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.536 0.273 3.959 1.00 0.00 C ATOM 1122 NH1 ARG A 72 16.570 0.994 2.846 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.650 0.107 4.656 1.00 0.00 N ATOM 0 H ARG A 72 10.456 2.035 4.748 1.00 0.00 H new ATOM 0 HA ARG A 72 11.064 2.237 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.391 1.953 2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.971 3.259 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.442 2.051 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.907 1.406 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.341 -0.690 4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.050 -0.082 2.795 1.00 0.00 H new ATOM 0 HE ARG A 72 15.451 -0.912 5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.713 1.155 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.453 1.388 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.632 -0.420 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.526 0.506 4.320 1.00 0.00 H new ATOM 1137 N LEU A 73 11.068 -0.333 1.847 1.00 0.00 N ATOM 1138 CA LEU A 73 10.741 -1.758 1.893 1.00 0.00 C ATOM 1139 C LEU A 73 11.893 -2.574 1.333 1.00 0.00 C ATOM 1140 O LEU A 73 12.560 -3.269 2.104 1.00 0.00 O ATOM 1141 CB LEU A 73 9.379 -2.030 1.231 1.00 0.00 C ATOM 1142 CG LEU A 73 8.832 -3.445 1.459 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.996 -4.023 2.873 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.345 -3.398 1.129 1.00 0.00 C ATOM 0 H LEU A 73 11.213 0.040 0.909 1.00 0.00 H new ATOM 0 HA LEU A 73 10.620 -2.082 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.655 -1.309 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.470 -1.858 0.159 1.00 0.00 H new ATOM 0 HG LEU A 73 9.420 -4.107 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.571 -5.026 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.055 -4.069 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.478 -3.385 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.908 -4.386 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.850 -2.681 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.212 -3.094 0.091 1.00 0.00 H new ATOM 1156 N GLU A 74 12.138 -2.455 0.029 1.00 0.00 N ATOM 1157 CA GLU A 74 13.211 -3.155 -0.674 1.00 0.00 C ATOM 1158 C GLU A 74 14.348 -2.191 -1.027 1.00 0.00 C ATOM 1159 O GLU A 74 15.486 -2.606 -1.250 1.00 0.00 O ATOM 1160 CB GLU A 74 12.633 -3.792 -1.949 1.00 0.00 C ATOM 1161 CG GLU A 74 13.565 -4.753 -2.722 1.00 0.00 C ATOM 1162 CD GLU A 74 14.130 -5.949 -1.936 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.782 -6.181 -0.755 1.00 0.00 O ATOM 1164 OE2 GLU A 74 15.004 -6.670 -2.472 1.00 0.00 O ATOM 0 H GLU A 74 11.583 -1.855 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 74 13.622 -3.931 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.729 -4.337 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.332 -2.991 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.018 -5.139 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.403 -4.175 -3.111 1.00 0.00 H new ATOM 1171 N GLY A 75 14.029 -0.902 -1.117 1.00 0.00 N ATOM 1172 CA GLY A 75 14.863 0.155 -1.654 1.00 0.00 C ATOM 1173 C GLY A 75 15.110 1.229 -0.595 1.00 0.00 C ATOM 1174 O GLY A 75 14.938 0.967 0.601 1.00 0.00 O ATOM 0 H GLY A 75 13.126 -0.553 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.814 -0.259 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.382 0.599 -2.526 1.00 0.00 H new ATOM 1178 N GLU A 76 15.534 2.426 -1.005 1.00 0.00 N ATOM 1179 CA GLU A 76 15.687 3.572 -0.110 1.00 0.00 C ATOM 1180 C GLU A 76 14.326 4.054 0.401 1.00 0.00 C ATOM 1181 O GLU A 76 13.282 3.621 -0.096 1.00 0.00 O ATOM 1182 CB GLU A 76 16.443 4.711 -0.803 1.00 0.00 C ATOM 1183 CG GLU A 76 15.617 5.460 -1.867 1.00 0.00 C ATOM 1184 CD GLU A 76 16.411 6.583 -2.533 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.220 7.250 -1.838 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.231 6.788 -3.754 1.00 0.00 O ATOM 0 H GLU A 76 15.782 2.628 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 76 16.275 3.250 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.775 5.424 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.338 4.305 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.283 4.754 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.723 5.876 -1.403 1.00 0.00 H new ATOM 1193 N GLY A 77 14.331 4.959 1.380 1.00 0.00 N ATOM 1194 CA GLY A 77 13.114 5.486 1.968 1.00 0.00 C ATOM 1195 C GLY A 77 12.666 6.804 1.364 1.00 0.00 C ATOM 1196 O GLY A 77 13.426 7.477 0.671 1.00 0.00 O ATOM 0 H GLY A 77 15.185 5.344 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.317 4.752 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.267 5.620 3.039 1.00 0.00 H new ATOM 1200 N PHE A 78 11.429 7.190 1.678 1.00 0.00 N ATOM 1201 CA PHE A 78 10.815 8.450 1.268 1.00 0.00 C ATOM 1202 C PHE A 78 10.050 9.065 2.453 1.00 0.00 C ATOM 1203 O PHE A 78 9.725 8.329 3.385 1.00 0.00 O ATOM 1204 CB PHE A 78 9.896 8.187 0.062 1.00 0.00 C ATOM 1205 CG PHE A 78 10.620 8.233 -1.273 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.221 7.076 -1.806 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.715 9.448 -1.980 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.897 7.133 -3.037 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.376 9.499 -3.219 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.969 8.342 -3.748 1.00 0.00 C ATOM 0 H PHE A 78 10.807 6.613 2.244 1.00 0.00 H new ATOM 0 HA PHE A 78 11.578 9.168 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.427 7.210 0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.095 8.926 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.162 6.142 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.277 10.345 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.362 6.244 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.428 10.429 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.479 8.381 -4.699 1.00 0.00 H new ATOM 1220 N PRO A 79 9.753 10.382 2.423 1.00 0.00 N ATOM 1221 CA PRO A 79 9.112 11.151 3.503 1.00 0.00 C ATOM 1222 C PRO A 79 7.577 10.993 3.545 1.00 0.00 C ATOM 1223 O PRO A 79 6.891 11.662 4.328 1.00 0.00 O ATOM 1224 CB PRO A 79 9.458 12.614 3.183 1.00 0.00 C ATOM 1225 CG PRO A 79 9.468 12.627 1.667 1.00 0.00 C ATOM 1226 CD PRO A 79 10.110 11.285 1.338 1.00 0.00 C ATOM 0 HA PRO A 79 9.466 10.804 4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.718 13.304 3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.424 12.902 3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.463 12.710 1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.045 13.463 1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.749 10.906 0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.192 11.382 1.254 1.00 0.00 H new ATOM 1234 N SER A 80 7.016 10.182 2.651 1.00 0.00 N ATOM 1235 CA SER A 80 5.595 9.888 2.536 1.00 0.00 C ATOM 1236 C SER A 80 5.488 8.425 2.136 1.00 0.00 C ATOM 1237 O SER A 80 6.370 7.892 1.458 1.00 0.00 O ATOM 1238 CB SER A 80 4.925 10.795 1.490 1.00 0.00 C ATOM 1239 OG SER A 80 5.255 12.159 1.642 1.00 0.00 O ATOM 0 H SER A 80 7.572 9.688 1.953 1.00 0.00 H new ATOM 0 HA SER A 80 5.082 10.074 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.218 10.466 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.843 10.680 1.559 1.00 0.00 H new ATOM 0 HG SER A 80 4.802 12.684 0.950 1.00 0.00 H new ATOM 1245 N ILE A 81 4.406 7.774 2.549 1.00 0.00 N ATOM 1246 CA ILE A 81 4.052 6.460 2.047 1.00 0.00 C ATOM 1247 C ILE A 81 3.731 6.585 0.550 1.00 0.00 C ATOM 1248 O ILE A 81 4.302 5.811 -0.211 1.00 0.00 O ATOM 1249 CB ILE A 81 2.939 5.831 2.919 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.539 5.457 4.300 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.332 4.579 2.261 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.619 5.627 5.518 1.00 0.00 C ATOM 0 H ILE A 81 3.754 8.145 3.240 1.00 0.00 H new ATOM 0 HA ILE A 81 4.881 5.756 2.126 1.00 0.00 H new ATOM 0 HB ILE A 81 2.138 6.561 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.863 4.417 4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.431 6.063 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.555 4.169 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.899 4.848 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.112 3.832 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.153 5.333 6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.313 6.670 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.737 4.998 5.398 1.00 0.00 H new ATOM 1264 N PRO A 82 2.901 7.540 0.078 1.00 0.00 N ATOM 1265 CA PRO A 82 2.499 7.581 -1.329 1.00 0.00 C ATOM 1266 C PRO A 82 3.681 7.828 -2.282 1.00 0.00 C ATOM 1267 O PRO A 82 3.672 7.361 -3.422 1.00 0.00 O ATOM 1268 CB PRO A 82 1.423 8.665 -1.432 1.00 0.00 C ATOM 1269 CG PRO A 82 1.639 9.530 -0.199 1.00 0.00 C ATOM 1270 CD PRO A 82 2.154 8.540 0.828 1.00 0.00 C ATOM 0 HA PRO A 82 2.108 6.614 -1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.530 9.245 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.423 8.232 -1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.358 10.327 -0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.714 10.005 0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.791 9.034 1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.331 8.082 1.377 1.00 0.00 H new ATOM 1278 N LEU A 83 4.739 8.486 -1.800 1.00 0.00 N ATOM 1279 CA LEU A 83 5.998 8.627 -2.520 1.00 0.00 C ATOM 1280 C LEU A 83 6.669 7.276 -2.736 1.00 0.00 C ATOM 1281 O LEU A 83 7.166 6.987 -3.822 1.00 0.00 O ATOM 1282 CB LEU A 83 6.933 9.575 -1.754 1.00 0.00 C ATOM 1283 CG LEU A 83 6.776 11.031 -2.214 1.00 0.00 C ATOM 1284 CD1 LEU A 83 7.295 12.008 -1.162 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.568 11.279 -3.490 1.00 0.00 C ATOM 0 H LEU A 83 4.741 8.940 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 83 5.785 9.049 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.723 9.507 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.966 9.259 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 83 5.711 11.192 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.169 13.030 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.736 11.876 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.352 11.816 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.444 12.317 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.624 11.079 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.204 10.619 -4.278 1.00 0.00 H new ATOM 1297 N LEU A 84 6.720 6.458 -1.686 1.00 0.00 N ATOM 1298 CA LEU A 84 7.359 5.150 -1.739 1.00 0.00 C ATOM 1299 C LEU A 84 6.555 4.215 -2.632 1.00 0.00 C ATOM 1300 O LEU A 84 7.140 3.409 -3.354 1.00 0.00 O ATOM 1301 CB LEU A 84 7.449 4.593 -0.311 1.00 0.00 C ATOM 1302 CG LEU A 84 8.544 3.554 -0.009 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.393 2.233 -0.754 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.948 4.078 -0.287 1.00 0.00 C ATOM 0 H LEU A 84 6.319 6.686 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 84 8.361 5.237 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.591 5.434 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.486 4.144 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 84 8.408 3.367 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.209 1.565 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.441 1.773 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.421 2.416 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.678 3.302 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.032 4.354 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.139 4.953 0.334 1.00 0.00 H new ATOM 1316 N ILE A 85 5.223 4.349 -2.606 1.00 0.00 N ATOM 1317 CA ILE A 85 4.342 3.608 -3.486 1.00 0.00 C ATOM 1318 C ILE A 85 4.830 3.773 -4.924 1.00 0.00 C ATOM 1319 O ILE A 85 4.936 2.753 -5.581 1.00 0.00 O ATOM 1320 CB ILE A 85 2.853 3.977 -3.256 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.341 3.560 -1.855 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.913 3.399 -4.325 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.468 2.077 -1.487 1.00 0.00 C ATOM 0 H ILE A 85 4.735 4.979 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 85 4.382 2.543 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 85 2.831 5.064 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.881 4.143 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.290 3.840 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.887 3.694 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.198 3.781 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.986 2.311 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.075 1.916 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.902 1.476 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.517 1.783 -1.517 1.00 0.00 H new ATOM 1335 N ASP A 86 5.173 4.965 -5.427 1.00 0.00 N ATOM 1336 CA ASP A 86 5.571 5.101 -6.840 1.00 0.00 C ATOM 1337 C ASP A 86 6.852 4.340 -7.140 1.00 0.00 C ATOM 1338 O ASP A 86 6.928 3.617 -8.134 1.00 0.00 O ATOM 1339 CB ASP A 86 5.794 6.564 -7.226 1.00 0.00 C ATOM 1340 CG ASP A 86 6.307 6.710 -8.664 1.00 0.00 C ATOM 1341 OD1 ASP A 86 5.534 6.415 -9.599 1.00 0.00 O ATOM 1342 OD2 ASP A 86 7.456 7.172 -8.854 1.00 0.00 O ATOM 0 H ASP A 86 5.185 5.834 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 86 4.749 4.685 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.859 7.114 -7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.510 7.015 -6.539 1.00 0.00 H new ATOM 1347 N HIS A 87 7.849 4.457 -6.264 1.00 0.00 N ATOM 1348 CA HIS A 87 9.118 3.762 -6.434 1.00 0.00 C ATOM 1349 C HIS A 87 8.966 2.244 -6.286 1.00 0.00 C ATOM 1350 O HIS A 87 9.905 1.517 -6.604 1.00 0.00 O ATOM 1351 CB HIS A 87 10.184 4.309 -5.479 1.00 0.00 C ATOM 1352 CG HIS A 87 11.122 5.305 -6.115 1.00 0.00 C ATOM 1353 ND1 HIS A 87 12.479 5.126 -6.268 1.00 0.00 N ATOM 1354 CD2 HIS A 87 10.799 6.519 -6.665 1.00 0.00 C ATOM 1355 CE1 HIS A 87 12.978 6.215 -6.872 1.00 0.00 C ATOM 1356 NE2 HIS A 87 11.987 7.073 -7.169 1.00 0.00 N ATOM 0 H HIS A 87 7.798 5.032 -5.423 1.00 0.00 H new ATOM 0 HA HIS A 87 9.453 3.953 -7.454 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.689 4.781 -4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.767 3.476 -5.085 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.816 6.965 -6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 87 14.023 6.378 -7.088 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.080 7.959 -7.666 1.00 0.00 H new ATOM 1364 N LEU A 88 7.798 1.727 -5.898 1.00 0.00 N ATOM 1365 CA LEU A 88 7.437 0.326 -6.048 1.00 0.00 C ATOM 1366 C LEU A 88 6.487 0.074 -7.222 1.00 0.00 C ATOM 1367 O LEU A 88 6.556 -0.979 -7.852 1.00 0.00 O ATOM 1368 CB LEU A 88 6.770 -0.122 -4.751 1.00 0.00 C ATOM 1369 CG LEU A 88 7.732 -0.295 -3.568 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.231 -1.517 -2.809 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.219 -0.560 -3.848 1.00 0.00 C ATOM 0 H LEU A 88 7.065 2.287 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 88 8.345 -0.240 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.007 0.607 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.258 -1.068 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 88 7.718 0.669 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.874 -1.700 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.211 -1.341 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.249 -2.386 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.755 -0.657 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.323 -1.482 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.635 0.270 -4.418 1.00 0.00 H new ATOM 1383 N LEU A 89 5.563 0.984 -7.510 1.00 0.00 N ATOM 1384 CA LEU A 89 4.459 0.774 -8.446 1.00 0.00 C ATOM 1385 C LEU A 89 4.918 0.973 -9.870 1.00 0.00 C ATOM 1386 O LEU A 89 4.438 0.298 -10.772 1.00 0.00 O ATOM 1387 CB LEU A 89 3.295 1.726 -8.126 1.00 0.00 C ATOM 1388 CG LEU A 89 1.940 1.071 -8.402 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.921 1.583 -7.395 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.377 1.256 -9.798 1.00 0.00 C ATOM 0 H LEU A 89 5.559 1.913 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 89 4.112 -0.254 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.348 2.027 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.390 2.632 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 89 2.128 0.001 -8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.046 1.119 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.249 1.332 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.829 2.665 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.416 0.748 -9.873 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.242 2.319 -9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.068 0.834 -10.528 1.00 0.00 H new ATOM 1402 N SER A 90 5.873 1.867 -10.072 1.00 0.00 N ATOM 1403 CA SER A 90 6.426 2.153 -11.374 1.00 0.00 C ATOM 1404 C SER A 90 7.693 1.318 -11.614 1.00 0.00 C ATOM 1405 O SER A 90 8.354 1.469 -12.643 1.00 0.00 O ATOM 1406 CB SER A 90 6.676 3.661 -11.458 1.00 0.00 C ATOM 1407 OG SER A 90 6.457 4.140 -12.770 1.00 0.00 O ATOM 0 H SER A 90 6.288 2.419 -9.321 1.00 0.00 H new ATOM 0 HA SER A 90 5.732 1.874 -12.167 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.017 4.181 -10.763 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.699 3.881 -11.153 1.00 0.00 H new ATOM 0 HG SER A 90 6.622 5.106 -12.797 1.00 0.00 H new ATOM 1413 N THR A 91 8.057 0.448 -10.665 1.00 0.00 N ATOM 1414 CA THR A 91 9.262 -0.372 -10.716 1.00 0.00 C ATOM 1415 C THR A 91 8.892 -1.860 -10.660 1.00 0.00 C ATOM 1416 O THR A 91 9.571 -2.683 -11.276 1.00 0.00 O ATOM 1417 CB THR A 91 10.249 0.074 -9.620 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.821 -0.393 -8.359 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.397 1.602 -9.523 1.00 0.00 C ATOM 0 H THR A 91 7.505 0.295 -9.821 1.00 0.00 H new ATOM 0 HA THR A 91 9.779 -0.229 -11.665 1.00 0.00 H new ATOM 0 HB THR A 91 11.213 -0.350 -9.899 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.615 0.370 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.106 1.849 -8.733 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.761 1.993 -10.473 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.429 2.048 -9.295 1.00 0.00 H new ATOM 1427 N GLN A 92 7.745 -2.197 -10.050 1.00 0.00 N ATOM 1428 CA GLN A 92 7.236 -3.564 -9.919 1.00 0.00 C ATOM 1429 C GLN A 92 8.200 -4.389 -9.056 1.00 0.00 C ATOM 1430 O GLN A 92 8.387 -5.587 -9.270 1.00 0.00 O ATOM 1431 CB GLN A 92 6.918 -4.197 -11.299 1.00 0.00 C ATOM 1432 CG GLN A 92 6.167 -3.308 -12.318 1.00 0.00 C ATOM 1433 CD GLN A 92 4.701 -3.141 -11.943 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.807 -3.631 -12.621 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.422 -2.517 -10.816 1.00 0.00 N ATOM 0 H GLN A 92 7.131 -1.503 -9.623 1.00 0.00 H new ATOM 0 HA GLN A 92 6.277 -3.549 -9.401 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.857 -4.514 -11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.326 -5.097 -11.132 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.644 -2.329 -12.369 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.241 -3.750 -13.311 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.173 -2.112 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.455 -2.439 -10.502 1.00 0.00 H new ATOM 1444 N GLN A 93 8.861 -3.714 -8.112 1.00 0.00 N ATOM 1445 CA GLN A 93 9.843 -4.320 -7.222 1.00 0.00 C ATOM 1446 C GLN A 93 9.157 -5.318 -6.281 1.00 0.00 C ATOM 1447 O GLN A 93 8.017 -5.079 -5.868 1.00 0.00 O ATOM 1448 CB GLN A 93 10.563 -3.238 -6.396 1.00 0.00 C ATOM 1449 CG GLN A 93 11.962 -2.927 -6.935 1.00 0.00 C ATOM 1450 CD GLN A 93 12.607 -1.777 -6.177 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.415 -1.953 -5.267 1.00 0.00 O ATOM 1452 NE2 GLN A 93 12.279 -0.562 -6.578 1.00 0.00 N ATOM 0 H GLN A 93 8.724 -2.717 -7.946 1.00 0.00 H new ATOM 0 HA GLN A 93 10.579 -4.847 -7.829 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.965 -2.326 -6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.641 -3.567 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.590 -3.815 -6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.898 -2.676 -7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.606 -0.439 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.698 0.253 -6.131 1.00 0.00 H new ATOM 1461 N PRO A 94 9.862 -6.391 -5.884 1.00 0.00 N ATOM 1462 CA PRO A 94 9.359 -7.336 -4.910 1.00 0.00 C ATOM 1463 C PRO A 94 9.363 -6.708 -3.513 1.00 0.00 C ATOM 1464 O PRO A 94 10.337 -6.083 -3.099 1.00 0.00 O ATOM 1465 CB PRO A 94 10.277 -8.557 -4.990 1.00 0.00 C ATOM 1466 CG PRO A 94 11.605 -7.965 -5.469 1.00 0.00 C ATOM 1467 CD PRO A 94 11.202 -6.755 -6.316 1.00 0.00 C ATOM 0 HA PRO A 94 8.327 -7.623 -5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.380 -9.047 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.894 -9.304 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.234 -7.670 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.174 -8.688 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.897 -5.928 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.216 -7.000 -7.378 1.00 0.00 H new ATOM 1475 N LEU A 95 8.290 -6.937 -2.762 1.00 0.00 N ATOM 1476 CA LEU A 95 8.073 -6.406 -1.420 1.00 0.00 C ATOM 1477 C LEU A 95 8.976 -7.096 -0.400 1.00 0.00 C ATOM 1478 O LEU A 95 9.512 -6.471 0.507 1.00 0.00 O ATOM 1479 CB LEU A 95 6.604 -6.601 -1.013 1.00 0.00 C ATOM 1480 CG LEU A 95 5.577 -5.856 -1.883 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.261 -5.765 -1.118 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.970 -4.451 -2.331 1.00 0.00 C ATOM 0 H LEU A 95 7.518 -7.520 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 95 8.316 -5.344 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.375 -7.666 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.484 -6.276 0.020 1.00 0.00 H new ATOM 0 HG LEU A 95 5.504 -6.443 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.524 -5.239 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.899 -6.769 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.419 -5.222 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.170 -4.025 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.135 -3.823 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.885 -4.500 -2.921 1.00 0.00 H new ATOM 1494 N THR A 96 9.125 -8.411 -0.523 1.00 0.00 N ATOM 1495 CA THR A 96 9.939 -9.208 0.372 1.00 0.00 C ATOM 1496 C THR A 96 10.387 -10.424 -0.424 1.00 0.00 C ATOM 1497 O THR A 96 9.598 -10.998 -1.187 1.00 0.00 O ATOM 1498 CB THR A 96 9.123 -9.566 1.636 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.800 -10.533 2.414 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.711 -10.111 1.366 1.00 0.00 C ATOM 0 H THR A 96 8.675 -8.955 -1.259 1.00 0.00 H new ATOM 0 HA THR A 96 10.820 -8.675 0.731 1.00 0.00 H new ATOM 0 HB THR A 96 9.019 -8.615 2.158 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.268 -10.744 3.209 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.219 -10.332 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.131 -9.366 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.780 -11.022 0.771 1.00 0.00 H new ATOM 1508 N LYS A 97 11.625 -10.879 -0.225 1.00 0.00 N ATOM 1509 CA LYS A 97 12.095 -12.127 -0.820 1.00 0.00 C ATOM 1510 C LYS A 97 11.290 -13.320 -0.315 1.00 0.00 C ATOM 1511 O LYS A 97 11.290 -14.351 -0.983 1.00 0.00 O ATOM 1512 CB LYS A 97 13.613 -12.306 -0.590 1.00 0.00 C ATOM 1513 CG LYS A 97 14.393 -12.550 -1.892 1.00 0.00 C ATOM 1514 CD LYS A 97 14.364 -11.350 -2.849 1.00 0.00 C ATOM 1515 CE LYS A 97 15.008 -11.733 -4.183 1.00 0.00 C ATOM 1516 NZ LYS A 97 14.521 -10.872 -5.275 1.00 0.00 N ATOM 0 H LYS A 97 12.321 -10.399 0.346 1.00 0.00 H new ATOM 0 HA LYS A 97 11.934 -12.074 -1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.008 -11.417 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.776 -13.144 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.429 -12.787 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.977 -13.421 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.335 -11.028 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.896 -10.508 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.092 -11.648 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.786 -12.775 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.974 -11.154 -6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.490 -10.973 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.755 -9.880 -5.066 1.00 0.00 H new ATOM 1530 N LYS A 98 10.562 -13.193 0.804 1.00 0.00 N ATOM 1531 CA LYS A 98 9.699 -14.260 1.300 1.00 0.00 C ATOM 1532 C LYS A 98 8.503 -14.551 0.431 1.00 0.00 C ATOM 1533 O LYS A 98 7.903 -15.617 0.603 1.00 0.00 O ATOM 1534 CB LYS A 98 9.168 -13.938 2.707 1.00 0.00 C ATOM 1535 CG LYS A 98 10.256 -14.017 3.771 1.00 0.00 C ATOM 1536 CD LYS A 98 10.972 -15.376 3.726 1.00 0.00 C ATOM 1537 CE LYS A 98 12.353 -15.302 3.052 1.00 0.00 C ATOM 1538 NZ LYS A 98 13.314 -14.426 3.753 1.00 0.00 N ATOM 0 H LYS A 98 10.558 -12.353 1.382 1.00 0.00 H new ATOM 0 HA LYS A 98 10.343 -15.139 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.734 -12.938 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.367 -14.633 2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.979 -13.216 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.817 -13.866 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.089 -15.754 4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.349 -16.092 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.771 -16.307 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.229 -14.945 2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.283 -14.685 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.134 -13.435 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.202 -14.540 4.781 1.00 0.00 H new ATOM 1552 N SER A 99 8.090 -13.630 -0.437 1.00 0.00 N ATOM 1553 CA SER A 99 6.901 -13.886 -1.229 1.00 0.00 C ATOM 1554 C SER A 99 6.938 -13.248 -2.626 1.00 0.00 C ATOM 1555 O SER A 99 6.091 -13.566 -3.450 1.00 0.00 O ATOM 1556 CB SER A 99 5.656 -13.441 -0.446 1.00 0.00 C ATOM 1557 OG SER A 99 5.578 -14.053 0.826 1.00 0.00 O ATOM 0 H SER A 99 8.545 -12.732 -0.603 1.00 0.00 H new ATOM 0 HA SER A 99 6.861 -14.961 -1.407 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.673 -12.358 -0.326 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.762 -13.684 -1.020 1.00 0.00 H new ATOM 0 HG SER A 99 4.869 -13.627 1.351 1.00 0.00 H new ATOM 1563 N GLY A 100 7.891 -12.358 -2.926 1.00 0.00 N ATOM 1564 CA GLY A 100 8.089 -11.733 -4.236 1.00 0.00 C ATOM 1565 C GLY A 100 6.938 -10.851 -4.731 1.00 0.00 C ATOM 1566 O GLY A 100 6.991 -10.418 -5.879 1.00 0.00 O ATOM 0 H GLY A 100 8.571 -12.042 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.995 -11.128 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.262 -12.519 -4.971 1.00 0.00 H new ATOM 1570 N VAL A 101 5.947 -10.563 -3.883 1.00 0.00 N ATOM 1571 CA VAL A 101 4.807 -9.684 -4.125 1.00 0.00 C ATOM 1572 C VAL A 101 5.242 -8.372 -4.770 1.00 0.00 C ATOM 1573 O VAL A 101 6.306 -7.892 -4.410 1.00 0.00 O ATOM 1574 CB VAL A 101 4.165 -9.403 -2.758 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.837 -8.687 -2.865 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.972 -10.650 -1.889 1.00 0.00 C ATOM 0 H VAL A 101 5.921 -10.967 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 101 4.106 -10.161 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 101 4.892 -8.754 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.434 -8.517 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.979 -7.730 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.140 -9.297 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.514 -10.366 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.325 -11.358 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.940 -11.114 -1.699 1.00 0.00 H new ATOM 1586 N VAL A 102 4.422 -7.736 -5.606 1.00 0.00 N ATOM 1587 CA VAL A 102 4.673 -6.396 -6.148 1.00 0.00 C ATOM 1588 C VAL A 102 3.414 -5.523 -5.949 1.00 0.00 C ATOM 1589 O VAL A 102 2.380 -6.029 -5.494 1.00 0.00 O ATOM 1590 CB VAL A 102 5.162 -6.510 -7.617 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.189 -7.634 -7.845 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.027 -6.621 -8.637 1.00 0.00 C ATOM 0 H VAL A 102 3.546 -8.144 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 102 5.476 -5.891 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 102 5.669 -5.561 -7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.483 -7.651 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.068 -7.455 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.745 -8.593 -7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.446 -6.697 -9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.432 -7.509 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.394 -5.736 -8.574 1.00 0.00 H new ATOM 1602 N LEU A 103 3.458 -4.221 -6.263 1.00 0.00 N ATOM 1603 CA LEU A 103 2.264 -3.386 -6.432 1.00 0.00 C ATOM 1604 C LEU A 103 1.865 -3.411 -7.908 1.00 0.00 C ATOM 1605 O LEU A 103 2.752 -3.322 -8.750 1.00 0.00 O ATOM 1606 CB LEU A 103 2.555 -1.927 -6.054 1.00 0.00 C ATOM 1607 CG LEU A 103 3.128 -1.685 -4.653 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.107 -0.194 -4.354 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.398 -2.439 -3.547 1.00 0.00 C ATOM 0 H LEU A 103 4.332 -3.715 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 103 1.474 -3.774 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.254 -1.518 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.629 -1.359 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 103 4.147 -2.071 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.514 -0.017 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.711 0.334 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.081 0.171 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.863 -2.216 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.353 -2.130 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.456 -3.511 -3.738 1.00 0.00 H new ATOM 1621 N HIS A 104 0.573 -3.486 -8.241 1.00 0.00 N ATOM 1622 CA HIS A 104 0.135 -3.634 -9.638 1.00 0.00 C ATOM 1623 C HIS A 104 -1.194 -2.922 -9.937 1.00 0.00 C ATOM 1624 O HIS A 104 -1.398 -2.479 -11.070 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.027 -5.134 -9.943 1.00 0.00 C ATOM 1626 CG HIS A 104 1.088 -5.861 -10.646 1.00 0.00 C ATOM 1627 ND1 HIS A 104 2.024 -5.367 -11.526 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.276 -7.213 -10.583 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.770 -6.397 -11.954 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.357 -7.547 -11.399 1.00 0.00 N ATOM 0 H HIS A 104 -0.190 -3.447 -7.565 1.00 0.00 H new ATOM 0 HA HIS A 104 0.895 -3.170 -10.267 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.207 -5.644 -8.997 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -0.928 -5.252 -10.545 1.00 0.00 H new ATOM 0 HD1 HIS A 104 2.131 -4.391 -11.803 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.687 -7.906 -10.000 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.591 -6.312 -12.650 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.120 -2.816 -8.981 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.407 -2.139 -9.126 1.00 0.00 C ATOM 1640 C ARG A 105 -3.777 -1.586 -7.757 1.00 0.00 C ATOM 1641 O ARG A 105 -3.394 -2.164 -6.748 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.454 -3.149 -9.630 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.811 -2.548 -10.011 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.751 -1.732 -11.308 1.00 0.00 C ATOM 1645 NE ARG A 105 -7.081 -1.240 -11.690 1.00 0.00 N ATOM 1646 CZ ARG A 105 -8.077 -1.930 -12.257 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -7.933 -3.211 -12.585 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -9.228 -1.319 -12.501 1.00 0.00 N ATOM 0 H ARG A 105 -1.987 -3.214 -8.051 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.361 -1.325 -9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.047 -3.666 -10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.612 -3.901 -8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.541 -3.350 -10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.162 -1.910 -9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -5.072 -0.889 -11.179 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.345 -2.349 -12.110 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.267 -0.255 -11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.049 -3.687 -12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -8.706 -3.717 -13.016 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.345 -0.336 -12.257 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.996 -1.832 -12.933 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.538 -0.505 -7.695 1.00 0.00 N ATOM 1663 CA ALA A 106 -5.011 0.065 -6.442 1.00 0.00 C ATOM 1664 C ALA A 106 -6.534 -0.001 -6.422 1.00 0.00 C ATOM 1665 O ALA A 106 -7.173 0.169 -7.465 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.495 1.499 -6.333 1.00 0.00 C ATOM 0 H ALA A 106 -4.848 0.007 -8.521 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.639 -0.493 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.841 1.940 -5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.405 1.496 -6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.870 2.085 -7.172 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.119 -0.235 -5.249 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.561 -0.133 -5.047 1.00 0.00 C ATOM 1674 C VAL A 107 -8.877 1.338 -4.752 1.00 0.00 C ATOM 1675 O VAL A 107 -8.323 1.877 -3.798 1.00 0.00 O ATOM 1676 CB VAL A 107 -9.019 -1.044 -3.896 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.551 -1.130 -3.890 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.450 -2.465 -4.012 1.00 0.00 C ATOM 0 H VAL A 107 -6.604 -0.501 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.098 -0.462 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.647 -0.605 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.876 -1.776 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.971 -0.133 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.896 -1.542 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.803 -3.068 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.781 -2.914 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.361 -2.423 -3.995 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.717 2.015 -5.549 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.101 3.395 -5.319 1.00 0.00 C ATOM 1690 C PRO A 108 -11.251 3.534 -4.315 1.00 0.00 C ATOM 1691 O PRO A 108 -12.395 3.204 -4.625 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.483 3.915 -6.699 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.040 2.675 -7.416 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.399 1.487 -6.714 1.00 0.00 C ATOM 0 HA PRO A 108 -9.290 3.967 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.227 4.709 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.621 4.327 -7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.127 2.634 -7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.790 2.688 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.153 0.755 -6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.698 0.977 -7.376 1.00 0.00 H new ATOM 1702 N SER A 109 -10.971 4.117 -3.152 1.00 0.00 N ATOM 1703 CA SER A 109 -11.940 4.333 -2.077 1.00 0.00 C ATOM 1704 C SER A 109 -12.366 5.813 -1.958 1.00 0.00 C ATOM 1705 O SER A 109 -13.347 6.125 -1.284 1.00 0.00 O ATOM 1706 CB SER A 109 -11.314 3.769 -0.800 1.00 0.00 C ATOM 1707 OG SER A 109 -12.233 3.694 0.273 1.00 0.00 O ATOM 0 H SER A 109 -10.039 4.462 -2.924 1.00 0.00 H new ATOM 0 HA SER A 109 -12.875 3.814 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.918 2.774 -1.004 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.471 4.394 -0.507 1.00 0.00 H new ATOM 0 HG SER A 109 -12.161 2.817 0.705 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.689 6.732 -2.655 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.032 8.154 -2.696 1.00 0.00 C ATOM 1715 C GLY A 110 -11.334 8.961 -1.595 1.00 0.00 C ATOM 1716 O GLY A 110 -10.745 8.384 -0.685 1.00 0.00 O ATOM 0 H GLY A 110 -10.870 6.501 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.759 8.562 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.111 8.267 -2.595 1.00 0.00 H new