USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 786 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 98 ASN : amide:sc= -0.0108 X(o=-1.3,f=-1.7) USER MOD Set 1.2: A 102 SER OG : rot 17:sc= -1.34 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0838 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -9.18! C(o=-10!,f=-9.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.31 K(o=-4.3,f=-5.1!) USER MOD Single : A 38 LYS NZ :NH3+ -142:sc= -0.383 (180deg=-2.28!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot -110:sc= -1.51 USER MOD Single : A 50 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-0.65) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.721 F(o=-5!,f=-0.72) USER MOD Single : A 61 SER OG : rot 27:sc= 0.251 USER MOD Single : A 63 THR OG1 : rot 162:sc= -2.58 USER MOD Single : A 74 HIS : no HD1:sc= -15.9! C(o=-16!,f=-16!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.0971 K(o=0.097,f=-1.5!) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= 0.0438 (180deg=0.0162) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 94 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.19) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -23.8! C(o=-24!,f=-25!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -29.223 18.556 20.496 1.00 0.00 N ATOM 54 CA LEU A 5 -28.566 18.007 19.322 1.00 0.00 C ATOM 55 C LEU A 5 -29.584 17.222 18.492 1.00 0.00 C ATOM 56 O LEU A 5 -29.209 16.453 17.609 1.00 0.00 O ATOM 57 CB LEU A 5 -27.341 17.186 19.730 1.00 0.00 C ATOM 58 CG LEU A 5 -26.718 17.536 21.083 1.00 0.00 C ATOM 59 CD1 LEU A 5 -26.789 16.347 22.043 1.00 0.00 C ATOM 60 CD2 LEU A 5 -25.287 18.050 20.911 1.00 0.00 C ATOM 0 HA LEU A 5 -28.188 18.808 18.687 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -27.622 16.133 19.744 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -26.578 17.302 18.960 1.00 0.00 H new ATOM 0 HG LEU A 5 -27.299 18.344 21.528 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -26.339 16.622 22.997 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -27.831 16.068 22.200 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -26.247 15.503 21.617 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -24.867 18.292 21.888 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -24.679 17.281 20.435 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -25.294 18.944 20.288 1.00 0.00 H new ATOM 72 N VAL A 6 -30.852 17.444 18.806 1.00 0.00 N ATOM 73 CA VAL A 6 -31.927 16.767 18.100 1.00 0.00 C ATOM 74 C VAL A 6 -32.492 17.699 17.027 1.00 0.00 C ATOM 75 O VAL A 6 -33.042 17.240 16.027 1.00 0.00 O ATOM 76 CB VAL A 6 -32.986 16.289 19.095 1.00 0.00 C ATOM 77 CG1 VAL A 6 -34.246 15.814 18.368 1.00 0.00 C ATOM 78 CG2 VAL A 6 -32.429 15.190 20.002 1.00 0.00 C ATOM 0 H VAL A 6 -31.159 18.083 19.539 1.00 0.00 H new ATOM 0 HA VAL A 6 -31.552 15.878 17.593 1.00 0.00 H new ATOM 0 HB VAL A 6 -33.261 17.135 19.724 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -34.983 15.479 19.098 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -34.661 16.636 17.784 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -33.993 14.988 17.703 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -33.202 14.868 20.700 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -32.113 14.342 19.394 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -31.575 15.576 20.559 1.00 0.00 H new ATOM 88 N LYS A 7 -32.338 18.993 17.271 1.00 0.00 N ATOM 89 CA LYS A 7 -32.827 19.994 16.338 1.00 0.00 C ATOM 90 C LYS A 7 -31.875 20.078 15.143 1.00 0.00 C ATOM 91 O LYS A 7 -31.886 21.062 14.404 1.00 0.00 O ATOM 92 CB LYS A 7 -33.041 21.331 17.050 1.00 0.00 C ATOM 93 CG LYS A 7 -33.793 21.136 18.368 1.00 0.00 C ATOM 94 CD LYS A 7 -35.240 20.708 18.115 1.00 0.00 C ATOM 95 CE LYS A 7 -36.189 21.905 18.202 1.00 0.00 C ATOM 96 NZ LYS A 7 -37.469 21.602 17.523 1.00 0.00 N ATOM 0 H LYS A 7 -31.882 19.371 18.101 1.00 0.00 H new ATOM 0 HA LYS A 7 -33.804 19.708 15.948 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -32.077 21.802 17.243 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -33.602 22.006 16.403 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -33.287 20.382 18.971 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -33.779 22.064 18.940 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -35.320 20.247 17.131 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -35.533 19.953 18.845 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -36.375 22.154 19.247 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -35.725 22.778 17.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -38.101 22.425 17.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -37.288 21.386 16.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -37.918 20.782 17.978 1.00 0.00 H new ATOM 110 N GLY A 8 -31.074 19.034 14.990 1.00 0.00 N ATOM 111 CA GLY A 8 -30.118 18.978 13.897 1.00 0.00 C ATOM 112 C GLY A 8 -29.110 17.847 14.108 1.00 0.00 C ATOM 113 O GLY A 8 -27.941 18.098 14.397 1.00 0.00 O ATOM 0 H GLY A 8 -31.067 18.220 15.605 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -30.646 18.829 12.955 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -29.592 19.929 13.820 1.00 0.00 H new ATOM 117 N PRO A 9 -29.613 16.593 13.952 1.00 0.00 N ATOM 118 CA PRO A 9 -28.769 15.422 14.122 1.00 0.00 C ATOM 119 C PRO A 9 -27.840 15.236 12.921 1.00 0.00 C ATOM 120 O PRO A 9 -28.303 15.084 11.792 1.00 0.00 O ATOM 121 CB PRO A 9 -29.736 14.264 14.310 1.00 0.00 C ATOM 122 CG PRO A 9 -31.075 14.749 13.776 1.00 0.00 C ATOM 123 CD PRO A 9 -30.992 16.257 13.611 1.00 0.00 C ATOM 0 HA PRO A 9 -28.099 15.507 14.978 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -29.397 13.380 13.770 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -29.812 13.985 15.361 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -31.301 14.272 12.822 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -31.879 14.484 14.463 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -31.232 16.557 12.591 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -31.697 16.766 14.268 1.00 0.00 H new ATOM 131 N TRP A 10 -26.546 15.255 13.206 1.00 0.00 N ATOM 132 CA TRP A 10 -25.548 15.090 12.163 1.00 0.00 C ATOM 133 C TRP A 10 -25.441 13.598 11.842 1.00 0.00 C ATOM 134 O TRP A 10 -26.019 12.767 12.539 1.00 0.00 O ATOM 135 CB TRP A 10 -24.212 15.709 12.580 1.00 0.00 C ATOM 136 CG TRP A 10 -24.297 17.197 12.926 1.00 0.00 C ATOM 137 CD1 TRP A 10 -25.168 17.806 13.742 1.00 0.00 C ATOM 138 CD2 TRP A 10 -23.438 18.246 12.430 1.00 0.00 C ATOM 139 NE1 TRP A 10 -24.935 19.165 13.808 1.00 0.00 N ATOM 140 CE2 TRP A 10 -23.849 19.440 12.985 1.00 0.00 C ATOM 141 CE3 TRP A 10 -22.350 18.186 11.542 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -23.228 20.666 12.714 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -21.740 19.419 11.281 1.00 0.00 C ATOM 144 CH2 TRP A 10 -22.142 20.631 11.832 1.00 0.00 C ATOM 0 H TRP A 10 -26.166 15.382 14.144 1.00 0.00 H new ATOM 0 HA TRP A 10 -25.845 15.620 11.258 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -23.826 15.167 13.443 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -23.493 15.575 11.772 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -25.954 17.297 14.281 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -25.462 19.842 14.359 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -22.011 17.262 11.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -23.569 21.588 13.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -20.898 19.430 10.604 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -21.618 21.541 11.580 1.00 0.00 H new ATOM 155 N THR A 11 -24.697 13.305 10.786 1.00 0.00 N ATOM 156 CA THR A 11 -24.507 11.928 10.363 1.00 0.00 C ATOM 157 C THR A 11 -23.165 11.770 9.645 1.00 0.00 C ATOM 158 O THR A 11 -22.290 12.626 9.763 1.00 0.00 O ATOM 159 CB THR A 11 -25.707 11.527 9.504 1.00 0.00 C ATOM 160 OG1 THR A 11 -25.491 12.203 8.268 1.00 0.00 O ATOM 161 CG2 THR A 11 -27.022 12.112 10.024 1.00 0.00 C ATOM 0 H THR A 11 -24.218 13.998 10.210 1.00 0.00 H new ATOM 0 HA THR A 11 -24.463 11.254 11.219 1.00 0.00 H new ATOM 0 HB THR A 11 -25.782 10.440 9.471 1.00 0.00 H new ATOM 0 HG1 THR A 11 -26.223 11.997 7.650 1.00 0.00 H new ATOM 0 HG21 THR A 11 -27.841 11.796 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 11 -27.202 11.757 11.039 1.00 0.00 H new ATOM 0 HG23 THR A 11 -26.960 13.200 10.026 1.00 0.00 H new ATOM 169 N LYS A 12 -23.046 10.671 8.916 1.00 0.00 N ATOM 170 CA LYS A 12 -21.826 10.390 8.178 1.00 0.00 C ATOM 171 C LYS A 12 -21.630 11.459 7.101 1.00 0.00 C ATOM 172 O LYS A 12 -20.502 11.732 6.691 1.00 0.00 O ATOM 173 CB LYS A 12 -21.848 8.962 7.630 1.00 0.00 C ATOM 174 CG LYS A 12 -20.597 8.676 6.796 1.00 0.00 C ATOM 175 CD LYS A 12 -20.971 8.266 5.370 1.00 0.00 C ATOM 176 CE LYS A 12 -19.731 7.853 4.575 1.00 0.00 C ATOM 177 NZ LYS A 12 -19.826 8.333 3.179 1.00 0.00 N ATOM 0 H LYS A 12 -23.775 9.964 8.820 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.961 10.439 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -21.909 8.253 8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -22.738 8.817 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -19.963 9.562 6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -20.016 7.883 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.680 7.439 5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.469 9.095 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.837 8.262 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.629 6.768 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.976 8.044 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.668 7.923 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.900 9.370 3.173 1.00 0.00 H new ATOM 191 N GLU A 13 -22.744 12.035 6.674 1.00 0.00 N ATOM 192 CA GLU A 13 -22.708 13.068 5.653 1.00 0.00 C ATOM 193 C GLU A 13 -21.790 14.213 6.087 1.00 0.00 C ATOM 194 O GLU A 13 -20.704 14.386 5.536 1.00 0.00 O ATOM 195 CB GLU A 13 -24.115 13.582 5.343 1.00 0.00 C ATOM 196 CG GLU A 13 -24.292 13.824 3.842 1.00 0.00 C ATOM 197 CD GLU A 13 -24.569 15.301 3.554 1.00 0.00 C ATOM 198 OE1 GLU A 13 -23.739 16.129 3.989 1.00 0.00 O ATOM 199 OE2 GLU A 13 -25.603 15.569 2.906 1.00 0.00 O ATOM 0 H GLU A 13 -23.677 11.806 7.016 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.306 12.632 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -24.854 12.859 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -24.296 14.508 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -23.394 13.508 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -25.115 13.216 3.466 1.00 0.00 H new ATOM 206 N GLU A 14 -22.260 14.964 7.072 1.00 0.00 N ATOM 207 CA GLU A 14 -21.495 16.087 7.587 1.00 0.00 C ATOM 208 C GLU A 14 -20.068 15.649 7.921 1.00 0.00 C ATOM 209 O GLU A 14 -19.113 16.379 7.661 1.00 0.00 O ATOM 210 CB GLU A 14 -22.179 16.703 8.809 1.00 0.00 C ATOM 211 CG GLU A 14 -23.598 17.164 8.468 1.00 0.00 C ATOM 212 CD GLU A 14 -23.589 18.144 7.294 1.00 0.00 C ATOM 213 OE1 GLU A 14 -22.591 18.889 7.184 1.00 0.00 O ATOM 214 OE2 GLU A 14 -24.580 18.126 6.532 1.00 0.00 O ATOM 0 H GLU A 14 -23.161 14.817 7.527 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.448 16.853 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -22.214 15.973 9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.594 17.549 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -24.215 16.300 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -24.049 17.639 9.339 1.00 0.00 H new ATOM 221 N ASP A 15 -19.967 14.457 8.492 1.00 0.00 N ATOM 222 CA ASP A 15 -18.673 13.913 8.864 1.00 0.00 C ATOM 223 C ASP A 15 -17.836 13.690 7.603 1.00 0.00 C ATOM 224 O ASP A 15 -16.624 13.898 7.613 1.00 0.00 O ATOM 225 CB ASP A 15 -18.825 12.566 9.574 1.00 0.00 C ATOM 226 CG ASP A 15 -19.038 12.653 11.087 1.00 0.00 C ATOM 227 OD1 ASP A 15 -18.039 12.933 11.785 1.00 0.00 O ATOM 228 OD2 ASP A 15 -20.194 12.438 11.511 1.00 0.00 O ATOM 0 H ASP A 15 -20.761 13.853 8.706 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.190 14.623 9.536 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.668 12.033 9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.934 11.968 9.381 1.00 0.00 H new ATOM 233 N GLN A 16 -18.517 13.269 6.547 1.00 0.00 N ATOM 234 CA GLN A 16 -17.851 13.015 5.280 1.00 0.00 C ATOM 235 C GLN A 16 -17.180 14.291 4.768 1.00 0.00 C ATOM 236 O GLN A 16 -16.224 14.228 3.998 1.00 0.00 O ATOM 237 CB GLN A 16 -18.833 12.460 4.247 1.00 0.00 C ATOM 238 CG GLN A 16 -19.490 13.590 3.451 1.00 0.00 C ATOM 239 CD GLN A 16 -18.976 13.617 2.011 1.00 0.00 C ATOM 240 OE1 GLN A 16 -18.621 12.603 1.432 1.00 0.00 O ATOM 241 NE2 GLN A 16 -18.956 14.830 1.466 1.00 0.00 N ATOM 0 H GLN A 16 -19.522 13.097 6.543 1.00 0.00 H new ATOM 0 HA GLN A 16 -17.080 12.262 5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -18.309 11.788 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.600 11.871 4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.572 13.459 3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -19.284 14.546 3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.267 15.637 2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.630 14.953 0.508 1.00 0.00 H new ATOM 250 N LYS A 17 -17.708 15.420 5.218 1.00 0.00 N ATOM 251 CA LYS A 17 -17.172 16.710 4.815 1.00 0.00 C ATOM 252 C LYS A 17 -15.796 16.907 5.454 1.00 0.00 C ATOM 253 O LYS A 17 -14.818 17.173 4.758 1.00 0.00 O ATOM 254 CB LYS A 17 -18.166 17.827 5.137 1.00 0.00 C ATOM 255 CG LYS A 17 -18.066 18.961 4.115 1.00 0.00 C ATOM 256 CD LYS A 17 -18.247 20.324 4.787 1.00 0.00 C ATOM 257 CE LYS A 17 -19.219 21.201 3.996 1.00 0.00 C ATOM 258 NZ LYS A 17 -18.485 22.038 3.020 1.00 0.00 N ATOM 0 H LYS A 17 -18.501 15.469 5.858 1.00 0.00 H new ATOM 0 HA LYS A 17 -17.030 16.744 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -19.180 17.426 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.971 18.215 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.097 18.923 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -18.825 18.828 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.620 20.186 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.282 20.825 4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.942 20.574 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.782 21.837 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -19.160 22.627 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.812 22.650 3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.967 21.426 2.358 1.00 0.00 H new ATOM 272 N VAL A 18 -15.766 16.769 6.771 1.00 0.00 N ATOM 273 CA VAL A 18 -14.526 16.929 7.512 1.00 0.00 C ATOM 274 C VAL A 18 -13.422 16.118 6.831 1.00 0.00 C ATOM 275 O VAL A 18 -12.332 16.631 6.583 1.00 0.00 O ATOM 276 CB VAL A 18 -14.737 16.541 8.976 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.423 16.095 9.620 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.372 17.690 9.762 1.00 0.00 C ATOM 0 H VAL A 18 -16.580 16.548 7.344 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.211 17.973 7.509 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.426 15.697 9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.601 15.825 10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.029 15.232 9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.701 16.910 9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.511 17.388 10.800 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.719 18.562 9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.338 17.940 9.324 1.00 0.00 H new ATOM 288 N ILE A 19 -13.743 14.864 6.548 1.00 0.00 N ATOM 289 CA ILE A 19 -12.792 13.976 5.901 1.00 0.00 C ATOM 290 C ILE A 19 -12.329 14.603 4.584 1.00 0.00 C ATOM 291 O ILE A 19 -11.155 14.517 4.230 1.00 0.00 O ATOM 292 CB ILE A 19 -13.389 12.577 5.739 1.00 0.00 C ATOM 293 CG1 ILE A 19 -13.403 11.829 7.073 1.00 0.00 C ATOM 294 CG2 ILE A 19 -12.658 11.791 4.649 1.00 0.00 C ATOM 295 CD1 ILE A 19 -13.649 12.790 8.238 1.00 0.00 C ATOM 0 H ILE A 19 -14.648 14.442 6.755 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.906 13.849 6.523 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.425 12.684 5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -14.180 11.065 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.453 11.315 7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.103 10.800 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.744 12.319 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.606 11.693 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.654 12.233 9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.857 13.539 8.266 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.611 13.284 8.105 1.00 0.00 H new ATOM 307 N GLU A 20 -13.278 15.220 3.894 1.00 0.00 N ATOM 308 CA GLU A 20 -12.983 15.862 2.624 1.00 0.00 C ATOM 309 C GLU A 20 -12.187 17.149 2.852 1.00 0.00 C ATOM 310 O GLU A 20 -11.585 17.683 1.922 1.00 0.00 O ATOM 311 CB GLU A 20 -14.266 16.142 1.840 1.00 0.00 C ATOM 312 CG GLU A 20 -13.949 16.597 0.414 1.00 0.00 C ATOM 313 CD GLU A 20 -14.399 15.550 -0.608 1.00 0.00 C ATOM 314 OE1 GLU A 20 -15.628 15.349 -0.711 1.00 0.00 O ATOM 315 OE2 GLU A 20 -13.503 14.975 -1.263 1.00 0.00 O ATOM 0 H GLU A 20 -14.251 15.289 4.191 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.374 15.182 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.882 15.243 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.848 16.910 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.447 17.545 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.878 16.772 0.314 1.00 0.00 H new ATOM 322 N LEU A 21 -12.212 17.610 4.094 1.00 0.00 N ATOM 323 CA LEU A 21 -11.501 18.824 4.456 1.00 0.00 C ATOM 324 C LEU A 21 -10.049 18.479 4.793 1.00 0.00 C ATOM 325 O LEU A 21 -9.130 18.874 4.077 1.00 0.00 O ATOM 326 CB LEU A 21 -12.234 19.560 5.579 1.00 0.00 C ATOM 327 CG LEU A 21 -13.314 20.551 5.138 1.00 0.00 C ATOM 328 CD1 LEU A 21 -14.567 20.417 6.004 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.773 21.982 5.129 1.00 0.00 C ATOM 0 H LEU A 21 -12.714 17.164 4.862 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.478 19.516 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.694 18.819 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.497 20.098 6.176 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.603 20.310 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.319 21.132 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.964 19.406 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.313 20.617 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.560 22.666 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.440 22.251 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.933 22.049 4.437 1.00 0.00 H new ATOM 341 N VAL A 22 -9.887 17.744 5.884 1.00 0.00 N ATOM 342 CA VAL A 22 -8.562 17.341 6.325 1.00 0.00 C ATOM 343 C VAL A 22 -7.787 16.767 5.137 1.00 0.00 C ATOM 344 O VAL A 22 -6.558 16.800 5.120 1.00 0.00 O ATOM 345 CB VAL A 22 -8.676 16.362 7.495 1.00 0.00 C ATOM 346 CG1 VAL A 22 -7.294 15.884 7.946 1.00 0.00 C ATOM 347 CG2 VAL A 22 -9.447 16.986 8.659 1.00 0.00 C ATOM 0 H VAL A 22 -10.651 17.417 6.475 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.003 18.201 6.692 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.236 15.492 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.403 15.189 8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.794 15.382 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.699 16.740 8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.514 16.269 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.927 17.881 9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.451 17.254 8.329 1.00 0.00 H new ATOM 357 N LYS A 23 -8.538 16.254 4.174 1.00 0.00 N ATOM 358 CA LYS A 23 -7.937 15.673 2.986 1.00 0.00 C ATOM 359 C LYS A 23 -7.396 16.792 2.094 1.00 0.00 C ATOM 360 O LYS A 23 -6.203 16.833 1.798 1.00 0.00 O ATOM 361 CB LYS A 23 -8.931 14.750 2.279 1.00 0.00 C ATOM 362 CG LYS A 23 -8.738 13.297 2.718 1.00 0.00 C ATOM 363 CD LYS A 23 -8.585 12.373 1.508 1.00 0.00 C ATOM 364 CE LYS A 23 -9.721 12.589 0.506 1.00 0.00 C ATOM 365 NZ LYS A 23 -10.244 11.289 0.029 1.00 0.00 N ATOM 0 H LYS A 23 -9.558 16.229 4.192 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.090 15.043 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.950 15.068 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.801 14.828 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.855 13.220 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.591 12.978 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.627 12.559 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.579 11.334 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.523 13.161 0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.362 13.176 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.014 11.453 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.480 10.757 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.605 10.743 0.837 1.00 0.00 H new ATOM 379 N LYS A 24 -8.300 17.673 1.691 1.00 0.00 N ATOM 380 CA LYS A 24 -7.928 18.790 0.839 1.00 0.00 C ATOM 381 C LYS A 24 -7.039 19.753 1.627 1.00 0.00 C ATOM 382 O LYS A 24 -6.434 20.657 1.052 1.00 0.00 O ATOM 383 CB LYS A 24 -9.175 19.450 0.246 1.00 0.00 C ATOM 384 CG LYS A 24 -8.876 20.053 -1.128 1.00 0.00 C ATOM 385 CD LYS A 24 -8.854 21.581 -1.063 1.00 0.00 C ATOM 386 CE LYS A 24 -10.271 22.145 -0.935 1.00 0.00 C ATOM 387 NZ LYS A 24 -10.908 22.251 -2.267 1.00 0.00 N ATOM 0 H LYS A 24 -9.289 17.636 1.939 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.344 18.441 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.973 18.713 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.533 20.229 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.915 19.687 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.630 19.727 -1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.252 21.904 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.380 21.980 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.868 21.501 -0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.237 23.127 -0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.869 22.635 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.346 22.884 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.958 21.309 -2.704 1.00 0.00 H new ATOM 401 N TYR A 25 -6.987 19.527 2.932 1.00 0.00 N ATOM 402 CA TYR A 25 -6.181 20.364 3.805 1.00 0.00 C ATOM 403 C TYR A 25 -4.806 19.739 4.046 1.00 0.00 C ATOM 404 O TYR A 25 -3.781 20.368 3.789 1.00 0.00 O ATOM 405 CB TYR A 25 -6.936 20.436 5.133 1.00 0.00 C ATOM 406 CG TYR A 25 -7.980 21.553 5.196 1.00 0.00 C ATOM 407 CD1 TYR A 25 -8.659 21.928 4.054 1.00 0.00 C ATOM 408 CD2 TYR A 25 -8.244 22.185 6.394 1.00 0.00 C ATOM 409 CE1 TYR A 25 -9.642 22.978 4.113 1.00 0.00 C ATOM 410 CE2 TYR A 25 -9.226 23.236 6.453 1.00 0.00 C ATOM 411 CZ TYR A 25 -9.877 23.581 5.309 1.00 0.00 C ATOM 412 OH TYR A 25 -10.805 24.573 5.365 1.00 0.00 O ATOM 0 H TYR A 25 -7.490 18.777 3.406 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.025 21.346 3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.430 19.481 5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.218 20.578 5.940 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.453 21.434 3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.714 21.891 7.288 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.181 23.280 3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.441 23.739 7.384 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.868 24.911 6.283 1.00 0.00 H new ATOM 422 N GLY A 26 -4.828 18.509 4.538 1.00 0.00 N ATOM 423 CA GLY A 26 -3.595 17.792 4.818 1.00 0.00 C ATOM 424 C GLY A 26 -2.646 18.643 5.664 1.00 0.00 C ATOM 425 O GLY A 26 -1.930 19.492 5.136 1.00 0.00 O ATOM 0 H GLY A 26 -5.680 17.990 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.821 16.863 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.108 17.519 3.882 1.00 0.00 H new ATOM 429 N THR A 27 -2.672 18.386 6.964 1.00 0.00 N ATOM 430 CA THR A 27 -1.823 19.118 7.888 1.00 0.00 C ATOM 431 C THR A 27 -2.286 18.893 9.329 1.00 0.00 C ATOM 432 O THR A 27 -1.535 18.372 10.152 1.00 0.00 O ATOM 433 CB THR A 27 -1.828 20.590 7.471 1.00 0.00 C ATOM 434 OG1 THR A 27 -1.541 21.293 8.677 1.00 0.00 O ATOM 435 CG2 THR A 27 -3.222 21.082 7.075 1.00 0.00 C ATOM 0 H THR A 27 -3.268 17.681 7.399 1.00 0.00 H new ATOM 0 HA THR A 27 -0.795 18.759 7.850 1.00 0.00 H new ATOM 0 HB THR A 27 -1.142 20.733 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.523 22.256 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.169 22.132 6.788 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.590 20.494 6.234 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.901 20.971 7.920 1.00 0.00 H new ATOM 443 N LYS A 28 -3.521 19.297 9.590 1.00 0.00 N ATOM 444 CA LYS A 28 -4.093 19.147 10.917 1.00 0.00 C ATOM 445 C LYS A 28 -5.502 19.743 10.932 1.00 0.00 C ATOM 446 O LYS A 28 -6.488 19.017 10.815 1.00 0.00 O ATOM 447 CB LYS A 28 -3.161 19.745 11.973 1.00 0.00 C ATOM 448 CG LYS A 28 -3.930 20.090 13.251 1.00 0.00 C ATOM 449 CD LYS A 28 -4.032 21.605 13.436 1.00 0.00 C ATOM 450 CE LYS A 28 -3.784 21.997 14.895 1.00 0.00 C ATOM 451 NZ LYS A 28 -2.334 22.012 15.188 1.00 0.00 N ATOM 0 H LYS A 28 -4.141 19.728 8.905 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.191 18.092 11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.365 19.037 12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.685 20.642 11.577 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.929 19.657 13.207 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.429 19.648 14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.306 22.103 12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.020 21.947 13.126 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.211 22.981 15.091 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.288 21.293 15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.183 22.280 16.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.936 21.066 15.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.862 22.701 14.568 1.00 0.00 H new ATOM 465 N GLN A 29 -5.551 21.059 11.076 1.00 0.00 N ATOM 466 CA GLN A 29 -6.823 21.761 11.107 1.00 0.00 C ATOM 467 C GLN A 29 -7.850 20.964 11.913 1.00 0.00 C ATOM 468 O GLN A 29 -8.945 20.686 11.428 1.00 0.00 O ATOM 469 CB GLN A 29 -7.332 22.036 9.690 1.00 0.00 C ATOM 470 CG GLN A 29 -6.378 22.964 8.935 1.00 0.00 C ATOM 471 CD GLN A 29 -7.146 24.090 8.239 1.00 0.00 C ATOM 472 OE1 GLN A 29 -6.738 24.335 6.997 1.00 0.00 O flip ATOM 473 NE2 GLN A 29 -8.048 24.697 8.793 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.731 21.658 11.172 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.673 22.723 11.597 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.435 21.096 9.148 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.323 22.487 9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.652 23.388 9.629 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.816 22.392 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.312 24.458 9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.538 25.443 8.300 1.00 0.00 H new ATOM 482 N TRP A 30 -7.459 20.619 13.131 1.00 0.00 N ATOM 483 CA TRP A 30 -8.332 19.859 14.010 1.00 0.00 C ATOM 484 C TRP A 30 -9.535 20.738 14.356 1.00 0.00 C ATOM 485 O TRP A 30 -10.603 20.230 14.694 1.00 0.00 O ATOM 486 CB TRP A 30 -7.574 19.369 15.246 1.00 0.00 C ATOM 487 CG TRP A 30 -6.936 17.989 15.078 1.00 0.00 C ATOM 488 CD1 TRP A 30 -5.645 17.697 14.867 1.00 0.00 C ATOM 489 CD2 TRP A 30 -7.616 16.716 15.115 1.00 0.00 C ATOM 490 NE1 TRP A 30 -5.445 16.335 14.766 1.00 0.00 N ATOM 491 CE2 TRP A 30 -6.681 15.720 14.922 1.00 0.00 C ATOM 492 CE3 TRP A 30 -8.977 16.418 15.306 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -7.006 14.358 14.901 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -9.285 15.052 15.282 1.00 0.00 C ATOM 495 CH2 TRP A 30 -8.355 14.037 15.089 1.00 0.00 C ATOM 0 H TRP A 30 -6.550 20.852 13.530 1.00 0.00 H new ATOM 0 HA TRP A 30 -8.691 18.958 13.513 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -6.795 20.091 15.492 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -8.260 19.340 16.093 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.860 18.434 14.786 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.553 15.866 14.606 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -9.725 17.182 15.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -6.256 13.596 14.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -10.317 14.767 15.423 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -8.672 13.005 15.084 1.00 0.00 H new ATOM 506 N THR A 31 -9.322 22.042 14.260 1.00 0.00 N ATOM 507 CA THR A 31 -10.376 22.997 14.559 1.00 0.00 C ATOM 508 C THR A 31 -11.490 22.906 13.514 1.00 0.00 C ATOM 509 O THR A 31 -12.671 22.945 13.856 1.00 0.00 O ATOM 510 CB THR A 31 -9.743 24.386 14.653 1.00 0.00 C ATOM 511 OG1 THR A 31 -9.830 24.715 16.037 1.00 0.00 O ATOM 512 CG2 THR A 31 -10.584 25.461 13.961 1.00 0.00 C ATOM 0 H THR A 31 -8.435 22.460 13.979 1.00 0.00 H new ATOM 0 HA THR A 31 -10.851 22.776 15.515 1.00 0.00 H new ATOM 0 HB THR A 31 -8.748 24.362 14.209 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.440 25.601 16.188 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.090 26.428 14.057 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.694 25.213 12.905 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.568 25.509 14.427 1.00 0.00 H new ATOM 520 N LEU A 32 -11.074 22.786 12.262 1.00 0.00 N ATOM 521 CA LEU A 32 -12.022 22.689 11.165 1.00 0.00 C ATOM 522 C LEU A 32 -12.997 21.542 11.439 1.00 0.00 C ATOM 523 O LEU A 32 -14.211 21.736 11.418 1.00 0.00 O ATOM 524 CB LEU A 32 -11.286 22.564 9.830 1.00 0.00 C ATOM 525 CG LEU A 32 -11.304 21.179 9.180 1.00 0.00 C ATOM 526 CD1 LEU A 32 -12.728 20.774 8.792 1.00 0.00 C ATOM 527 CD2 LEU A 32 -10.346 21.119 7.989 1.00 0.00 C ATOM 0 H LEU A 32 -10.093 22.754 11.983 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.614 23.601 11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.721 23.277 9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.248 22.859 9.982 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.951 20.453 9.913 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.713 19.786 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.355 20.750 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.132 21.498 8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.379 20.124 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.644 21.858 7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.332 21.333 8.327 1.00 0.00 H new ATOM 539 N ILE A 33 -12.429 20.372 11.690 1.00 0.00 N ATOM 540 CA ILE A 33 -13.232 19.193 11.968 1.00 0.00 C ATOM 541 C ILE A 33 -14.310 19.547 12.994 1.00 0.00 C ATOM 542 O ILE A 33 -15.461 19.786 12.634 1.00 0.00 O ATOM 543 CB ILE A 33 -12.340 18.024 12.390 1.00 0.00 C ATOM 544 CG1 ILE A 33 -11.412 17.602 11.249 1.00 0.00 C ATOM 545 CG2 ILE A 33 -13.179 16.854 12.908 1.00 0.00 C ATOM 546 CD1 ILE A 33 -10.077 18.346 11.325 1.00 0.00 C ATOM 0 H ILE A 33 -11.421 20.215 11.707 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.746 18.861 11.066 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.708 18.357 13.213 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.237 16.527 11.296 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.892 17.805 10.291 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.521 16.036 13.201 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -13.762 17.178 13.770 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.853 16.513 12.122 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.436 18.028 10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -10.254 19.419 11.253 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.589 18.122 12.273 1.00 0.00 H new ATOM 558 N ALA A 34 -13.898 19.568 14.254 1.00 0.00 N ATOM 559 CA ALA A 34 -14.814 19.889 15.335 1.00 0.00 C ATOM 560 C ALA A 34 -15.696 21.067 14.918 1.00 0.00 C ATOM 561 O ALA A 34 -16.918 21.011 15.052 1.00 0.00 O ATOM 562 CB ALA A 34 -14.018 20.178 16.609 1.00 0.00 C ATOM 0 H ALA A 34 -12.942 19.368 14.550 1.00 0.00 H new ATOM 0 HA ALA A 34 -15.471 19.045 15.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.705 20.419 17.420 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.432 19.300 16.879 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.350 21.022 16.437 1.00 0.00 H new ATOM 568 N LYS A 35 -15.043 22.107 14.422 1.00 0.00 N ATOM 569 CA LYS A 35 -15.753 23.297 13.984 1.00 0.00 C ATOM 570 C LYS A 35 -16.732 22.922 12.870 1.00 0.00 C ATOM 571 O LYS A 35 -17.843 23.445 12.813 1.00 0.00 O ATOM 572 CB LYS A 35 -14.764 24.396 13.590 1.00 0.00 C ATOM 573 CG LYS A 35 -15.494 25.706 13.285 1.00 0.00 C ATOM 574 CD LYS A 35 -14.877 26.408 12.073 1.00 0.00 C ATOM 575 CE LYS A 35 -13.798 27.402 12.505 1.00 0.00 C ATOM 576 NZ LYS A 35 -14.105 28.756 11.993 1.00 0.00 N ATOM 0 H LYS A 35 -14.030 22.151 14.314 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.344 23.710 14.801 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.049 24.553 14.397 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.194 24.081 12.716 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.548 25.503 13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.447 26.363 14.153 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.445 25.667 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.655 26.930 11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.731 27.425 13.593 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.826 27.078 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.362 29.418 12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.146 28.733 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.023 29.070 12.369 1.00 0.00 H new ATOM 590 N HIS A 36 -16.283 22.017 12.012 1.00 0.00 N ATOM 591 CA HIS A 36 -17.105 21.565 10.903 1.00 0.00 C ATOM 592 C HIS A 36 -18.039 20.450 11.377 1.00 0.00 C ATOM 593 O HIS A 36 -18.808 19.902 10.589 1.00 0.00 O ATOM 594 CB HIS A 36 -16.235 21.145 9.717 1.00 0.00 C ATOM 595 CG HIS A 36 -15.655 22.303 8.940 1.00 0.00 C ATOM 596 ND1 HIS A 36 -15.878 22.484 7.586 1.00 0.00 N ATOM 597 CD2 HIS A 36 -14.861 23.337 9.341 1.00 0.00 C ATOM 598 CE1 HIS A 36 -15.241 23.580 7.200 1.00 0.00 C ATOM 599 NE2 HIS A 36 -14.611 24.107 8.289 1.00 0.00 N ATOM 0 H HIS A 36 -15.360 21.585 12.063 1.00 0.00 H new ATOM 0 HA HIS A 36 -17.727 22.387 10.549 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -15.419 20.520 10.081 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.831 20.530 9.042 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.497 23.501 10.345 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.224 23.985 6.199 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.042 24.953 8.294 1.00 0.00 H new ATOM 607 N LEU A 37 -17.941 20.146 12.663 1.00 0.00 N ATOM 608 CA LEU A 37 -18.767 19.106 13.252 1.00 0.00 C ATOM 609 C LEU A 37 -18.923 19.372 14.751 1.00 0.00 C ATOM 610 O LEU A 37 -18.086 18.954 15.549 1.00 0.00 O ATOM 611 CB LEU A 37 -18.198 17.723 12.928 1.00 0.00 C ATOM 612 CG LEU A 37 -18.013 17.405 11.443 1.00 0.00 C ATOM 613 CD1 LEU A 37 -17.220 16.110 11.255 1.00 0.00 C ATOM 614 CD2 LEU A 37 -19.360 17.362 10.720 1.00 0.00 C ATOM 0 H LEU A 37 -17.302 20.602 13.314 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.767 19.123 12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.232 17.624 13.423 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -18.857 16.970 13.361 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.431 18.208 10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.102 15.907 10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.237 16.215 11.715 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.754 15.285 11.725 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.200 17.134 9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.988 16.591 11.167 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -19.853 18.330 10.811 1.00 0.00 H new ATOM 626 N LYS A 38 -20.000 20.066 15.087 1.00 0.00 N ATOM 627 CA LYS A 38 -20.277 20.392 16.476 1.00 0.00 C ATOM 628 C LYS A 38 -21.232 19.350 17.060 1.00 0.00 C ATOM 629 O LYS A 38 -21.527 18.343 16.417 1.00 0.00 O ATOM 630 CB LYS A 38 -20.786 21.830 16.597 1.00 0.00 C ATOM 631 CG LYS A 38 -19.876 22.659 17.504 1.00 0.00 C ATOM 632 CD LYS A 38 -18.662 23.181 16.734 1.00 0.00 C ATOM 633 CE LYS A 38 -17.715 23.951 17.657 1.00 0.00 C ATOM 634 NZ LYS A 38 -16.308 23.590 17.374 1.00 0.00 N ATOM 0 H LYS A 38 -20.691 20.412 14.422 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.362 20.351 17.067 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.834 22.287 15.609 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.800 21.828 16.997 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.436 23.497 17.918 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.543 22.051 18.345 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.131 22.346 16.277 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.993 23.830 15.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.856 25.023 17.520 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.951 23.729 18.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.775 23.545 18.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.275 22.663 16.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.884 24.308 16.753 1.00 0.00 H new ATOM 648 N GLY A 39 -21.689 19.626 18.272 1.00 0.00 N ATOM 649 CA GLY A 39 -22.605 18.725 18.950 1.00 0.00 C ATOM 650 C GLY A 39 -21.852 17.557 19.590 1.00 0.00 C ATOM 651 O GLY A 39 -22.437 16.767 20.329 1.00 0.00 O ATOM 0 H GLY A 39 -21.442 20.461 18.803 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -23.157 19.270 19.716 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -23.338 18.344 18.239 1.00 0.00 H new ATOM 655 N ARG A 40 -20.565 17.484 19.282 1.00 0.00 N ATOM 656 CA ARG A 40 -19.726 16.426 19.818 1.00 0.00 C ATOM 657 C ARG A 40 -18.248 16.791 19.662 1.00 0.00 C ATOM 658 O ARG A 40 -17.917 17.933 19.348 1.00 0.00 O ATOM 659 CB ARG A 40 -19.994 15.098 19.108 1.00 0.00 C ATOM 660 CG ARG A 40 -20.549 14.057 20.082 1.00 0.00 C ATOM 661 CD ARG A 40 -19.636 12.832 20.154 1.00 0.00 C ATOM 662 NE ARG A 40 -20.308 11.664 19.542 1.00 0.00 N ATOM 663 CZ ARG A 40 -19.738 10.460 19.397 1.00 0.00 C ATOM 664 NH1 ARG A 40 -18.483 10.258 19.820 1.00 0.00 N ATOM 665 NH2 ARG A 40 -20.423 9.458 18.830 1.00 0.00 N ATOM 0 H ARG A 40 -20.083 18.141 18.668 1.00 0.00 H new ATOM 0 HA ARG A 40 -19.967 16.315 20.875 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.702 15.253 18.294 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.071 14.728 18.661 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.650 14.499 21.073 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -21.547 13.753 19.766 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.699 13.036 19.636 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.386 12.615 21.192 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.265 11.783 19.210 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.962 11.021 20.252 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.049 9.342 19.710 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.379 9.611 18.508 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.989 8.542 18.720 1.00 0.00 H new ATOM 679 N LEU A 41 -17.400 15.799 19.889 1.00 0.00 N ATOM 680 CA LEU A 41 -15.965 16.000 19.778 1.00 0.00 C ATOM 681 C LEU A 41 -15.538 15.804 18.322 1.00 0.00 C ATOM 682 O LEU A 41 -16.015 14.891 17.649 1.00 0.00 O ATOM 683 CB LEU A 41 -15.220 15.100 20.764 1.00 0.00 C ATOM 684 CG LEU A 41 -14.923 15.709 22.136 1.00 0.00 C ATOM 685 CD1 LEU A 41 -13.769 16.710 22.053 1.00 0.00 C ATOM 686 CD2 LEU A 41 -16.181 16.332 22.743 1.00 0.00 C ATOM 0 H LEU A 41 -17.679 14.853 20.149 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.701 17.021 20.053 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.806 14.192 20.911 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.276 14.800 20.310 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.606 14.908 22.804 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.578 17.128 23.041 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.873 16.203 21.694 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.032 17.513 21.364 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.942 16.758 23.718 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.552 17.118 22.085 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.947 15.565 22.860 1.00 0.00 H new ATOM 698 N GLY A 42 -14.645 16.676 17.878 1.00 0.00 N ATOM 699 CA GLY A 42 -14.148 16.610 16.514 1.00 0.00 C ATOM 700 C GLY A 42 -13.037 15.566 16.385 1.00 0.00 C ATOM 701 O GLY A 42 -12.393 15.466 15.342 1.00 0.00 O ATOM 0 H GLY A 42 -14.253 17.432 18.439 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.965 16.362 15.837 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.770 17.587 16.213 1.00 0.00 H new ATOM 705 N LYS A 43 -12.846 14.816 17.460 1.00 0.00 N ATOM 706 CA LYS A 43 -11.824 13.784 17.481 1.00 0.00 C ATOM 707 C LYS A 43 -12.144 12.734 16.415 1.00 0.00 C ATOM 708 O LYS A 43 -12.529 13.075 15.298 1.00 0.00 O ATOM 709 CB LYS A 43 -11.675 13.205 18.889 1.00 0.00 C ATOM 710 CG LYS A 43 -10.278 12.615 19.094 1.00 0.00 C ATOM 711 CD LYS A 43 -9.284 13.695 19.525 1.00 0.00 C ATOM 712 CE LYS A 43 -9.242 13.825 21.049 1.00 0.00 C ATOM 713 NZ LYS A 43 -8.896 15.210 21.441 1.00 0.00 N ATOM 0 H LYS A 43 -13.382 14.903 18.323 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.851 14.207 17.231 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.856 13.985 19.628 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.427 12.433 19.050 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.318 11.830 19.850 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.937 12.150 18.169 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.290 13.450 19.150 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.565 14.651 19.083 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.210 13.552 21.470 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.509 13.131 21.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.872 15.281 22.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.962 15.457 21.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.611 15.866 21.066 1.00 0.00 H new ATOM 727 N GLN A 44 -11.973 11.477 16.798 1.00 0.00 N ATOM 728 CA GLN A 44 -12.239 10.375 15.889 1.00 0.00 C ATOM 729 C GLN A 44 -11.858 10.762 14.459 1.00 0.00 C ATOM 730 O GLN A 44 -12.511 10.344 13.504 1.00 0.00 O ATOM 731 CB GLN A 44 -13.704 9.941 15.968 1.00 0.00 C ATOM 732 CG GLN A 44 -14.630 11.037 15.437 1.00 0.00 C ATOM 733 CD GLN A 44 -16.065 10.524 15.301 1.00 0.00 C ATOM 734 OE1 GLN A 44 -16.841 10.517 16.243 1.00 0.00 O ATOM 735 NE2 GLN A 44 -16.374 10.097 14.080 1.00 0.00 N ATOM 0 H GLN A 44 -11.654 11.197 17.725 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.626 9.526 16.190 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.848 9.027 15.391 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -13.963 9.710 17.001 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.609 11.894 16.110 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.271 11.384 14.468 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -15.677 10.131 13.336 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -17.308 9.736 13.887 1.00 0.00 H new ATOM 744 N CYS A 45 -10.803 11.557 14.356 1.00 0.00 N ATOM 745 CA CYS A 45 -10.328 12.006 13.059 1.00 0.00 C ATOM 746 C CYS A 45 -8.893 11.507 12.874 1.00 0.00 C ATOM 747 O CYS A 45 -8.396 10.724 13.681 1.00 0.00 O ATOM 748 CB CYS A 45 -10.426 13.526 12.915 1.00 0.00 C ATOM 749 SG CYS A 45 -11.205 13.954 11.315 1.00 0.00 S ATOM 0 H CYS A 45 -10.264 11.902 15.150 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.961 11.591 12.274 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.011 13.940 13.736 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.432 13.970 12.976 1.00 0.00 H new ATOM 0 HG CYS A 45 -10.317 14.484 10.528 1.00 0.00 H new ATOM 755 N ARG A 46 -8.268 11.982 11.806 1.00 0.00 N ATOM 756 CA ARG A 46 -6.901 11.594 11.505 1.00 0.00 C ATOM 757 C ARG A 46 -6.672 10.127 11.875 1.00 0.00 C ATOM 758 O ARG A 46 -6.004 9.829 12.864 1.00 0.00 O ATOM 759 CB ARG A 46 -5.901 12.466 12.266 1.00 0.00 C ATOM 760 CG ARG A 46 -6.143 13.950 11.985 1.00 0.00 C ATOM 761 CD ARG A 46 -4.893 14.778 12.290 1.00 0.00 C ATOM 762 NE ARG A 46 -3.909 14.632 11.194 1.00 0.00 N ATOM 763 CZ ARG A 46 -2.592 14.834 11.334 1.00 0.00 C ATOM 764 NH1 ARG A 46 -2.092 15.192 12.525 1.00 0.00 N ATOM 765 NH2 ARG A 46 -1.775 14.678 10.284 1.00 0.00 N ATOM 0 H ARG A 46 -8.684 12.632 11.139 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.745 11.731 10.435 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.988 12.276 13.336 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.885 12.198 11.976 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.427 14.084 10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.976 14.307 12.590 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.162 15.827 12.411 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.452 14.452 13.232 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.256 14.360 10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.714 15.311 13.325 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.089 15.346 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.156 14.405 9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.772 14.832 10.391 1.00 0.00 H new ATOM 779 N GLU A 47 -7.239 9.249 11.061 1.00 0.00 N ATOM 780 CA GLU A 47 -7.105 7.820 11.290 1.00 0.00 C ATOM 781 C GLU A 47 -7.082 7.069 9.957 1.00 0.00 C ATOM 782 O GLU A 47 -6.255 6.180 9.756 1.00 0.00 O ATOM 783 CB GLU A 47 -8.228 7.302 12.192 1.00 0.00 C ATOM 784 CG GLU A 47 -8.259 5.772 12.203 1.00 0.00 C ATOM 785 CD GLU A 47 -9.489 5.255 12.954 1.00 0.00 C ATOM 786 OE1 GLU A 47 -10.580 5.288 12.345 1.00 0.00 O ATOM 787 OE2 GLU A 47 -9.309 4.838 14.118 1.00 0.00 O ATOM 0 H GLU A 47 -7.792 9.499 10.242 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.160 7.640 11.802 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.086 7.674 13.207 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.186 7.686 11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.269 5.397 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.353 5.389 12.674 1.00 0.00 H new ATOM 794 N ARG A 48 -7.998 7.453 9.081 1.00 0.00 N ATOM 795 CA ARG A 48 -8.093 6.827 7.774 1.00 0.00 C ATOM 796 C ARG A 48 -6.891 7.216 6.911 1.00 0.00 C ATOM 797 O ARG A 48 -6.430 6.425 6.089 1.00 0.00 O ATOM 798 CB ARG A 48 -9.381 7.239 7.058 1.00 0.00 C ATOM 799 CG ARG A 48 -10.086 6.022 6.455 1.00 0.00 C ATOM 800 CD ARG A 48 -9.114 5.179 5.627 1.00 0.00 C ATOM 801 NE ARG A 48 -9.851 4.117 4.906 1.00 0.00 N ATOM 802 CZ ARG A 48 -9.393 3.495 3.812 1.00 0.00 C ATOM 803 NH1 ARG A 48 -8.197 3.824 3.305 1.00 0.00 N ATOM 804 NH2 ARG A 48 -10.131 2.543 3.224 1.00 0.00 N ATOM 0 H ARG A 48 -8.682 8.191 9.251 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.104 5.747 7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.048 7.739 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.150 7.957 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.513 5.413 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -10.914 6.351 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.585 5.813 4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.361 4.733 6.277 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.765 3.842 5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.635 4.548 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.848 3.350 2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.041 2.292 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.782 2.069 2.391 1.00 0.00 H new ATOM 818 N TRP A 49 -6.417 8.434 7.127 1.00 0.00 N ATOM 819 CA TRP A 49 -5.278 8.937 6.379 1.00 0.00 C ATOM 820 C TRP A 49 -4.073 8.974 7.321 1.00 0.00 C ATOM 821 O TRP A 49 -2.929 8.889 6.876 1.00 0.00 O ATOM 822 CB TRP A 49 -5.589 10.299 5.755 1.00 0.00 C ATOM 823 CG TRP A 49 -6.256 11.286 6.715 1.00 0.00 C ATOM 824 CD1 TRP A 49 -5.668 12.098 7.604 1.00 0.00 C ATOM 825 CD2 TRP A 49 -7.672 11.533 6.848 1.00 0.00 C ATOM 826 NE1 TRP A 49 -6.596 12.848 8.297 1.00 0.00 N ATOM 827 CE2 TRP A 49 -7.854 12.493 7.822 1.00 0.00 C ATOM 828 CE3 TRP A 49 -8.763 10.965 6.167 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -9.114 12.969 8.204 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -10.015 11.451 6.560 1.00 0.00 C ATOM 831 CH2 TRP A 49 -10.215 12.417 7.539 1.00 0.00 C ATOM 0 H TRP A 49 -6.801 9.087 7.810 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.047 8.279 5.542 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -4.662 10.738 5.385 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.239 10.152 4.892 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.601 12.158 7.759 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.396 13.536 9.023 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.644 10.213 5.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.230 13.721 8.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.887 11.047 6.068 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.216 12.740 7.786 1.00 0.00 H new ATOM 842 N HIS A 50 -4.370 9.100 8.606 1.00 0.00 N ATOM 843 CA HIS A 50 -3.326 9.149 9.615 1.00 0.00 C ATOM 844 C HIS A 50 -2.858 7.729 9.939 1.00 0.00 C ATOM 845 O HIS A 50 -1.664 7.437 9.886 1.00 0.00 O ATOM 846 CB HIS A 50 -3.800 9.913 10.852 1.00 0.00 C ATOM 847 CG HIS A 50 -2.682 10.372 11.758 1.00 0.00 C ATOM 848 ND1 HIS A 50 -1.355 10.047 11.534 1.00 0.00 N ATOM 849 CD2 HIS A 50 -2.707 11.133 12.889 1.00 0.00 C ATOM 850 CE1 HIS A 50 -0.624 10.593 12.494 1.00 0.00 C ATOM 851 NE2 HIS A 50 -1.463 11.265 13.333 1.00 0.00 N ATOM 0 H HIS A 50 -5.320 9.170 8.972 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.468 9.698 9.228 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.374 10.782 10.531 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.477 9.277 11.422 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.589 11.557 13.346 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.449 10.519 12.595 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.181 11.784 14.165 1.00 0.00 H new ATOM 859 N ASN A 51 -3.824 6.882 10.266 1.00 0.00 N ATOM 860 CA ASN A 51 -3.526 5.499 10.598 1.00 0.00 C ATOM 861 C ASN A 51 -3.823 4.613 9.387 1.00 0.00 C ATOM 862 O ASN A 51 -4.921 4.072 9.264 1.00 0.00 O ATOM 863 CB ASN A 51 -4.391 5.014 11.762 1.00 0.00 C ATOM 864 CG ASN A 51 -4.052 5.769 13.049 1.00 0.00 C ATOM 865 OD1 ASN A 51 -3.930 7.084 12.889 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -3.911 5.196 14.117 1.00 0.00 N flip ATOM 0 H ASN A 51 -4.813 7.127 10.308 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.475 5.439 10.880 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.444 5.155 11.520 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.239 3.945 11.912 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.019 4.183 14.170 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.686 5.730 14.956 1.00 0.00 H new ATOM 1023 N SER A 61 11.894 3.315 -10.080 1.00 0.00 N ATOM 1024 CA SER A 61 12.793 2.176 -10.157 1.00 0.00 C ATOM 1025 C SER A 61 12.008 0.875 -9.979 1.00 0.00 C ATOM 1026 O SER A 61 10.857 0.778 -10.403 1.00 0.00 O ATOM 1027 CB SER A 61 13.900 2.277 -9.105 1.00 0.00 C ATOM 1028 OG SER A 61 14.436 3.594 -9.018 1.00 0.00 O ATOM 0 HA SER A 61 13.262 2.177 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.504 1.982 -8.133 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.698 1.576 -9.350 1.00 0.00 H new ATOM 0 HG SER A 61 13.756 4.243 -9.295 1.00 0.00 H new ATOM 1034 N TRP A 62 12.660 -0.091 -9.350 1.00 0.00 N ATOM 1035 CA TRP A 62 12.037 -1.382 -9.110 1.00 0.00 C ATOM 1036 C TRP A 62 10.814 -1.158 -8.219 1.00 0.00 C ATOM 1037 O TRP A 62 10.473 -0.020 -7.901 1.00 0.00 O ATOM 1038 CB TRP A 62 13.039 -2.371 -8.512 1.00 0.00 C ATOM 1039 CG TRP A 62 14.368 -2.445 -9.268 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.493 -1.760 -9.025 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.665 -3.282 -10.405 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.490 -2.092 -9.920 1.00 0.00 N ATOM 1043 CE2 TRP A 62 15.971 -3.048 -10.785 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.857 -4.207 -11.089 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.584 -3.699 -11.862 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.485 -4.850 -12.163 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.799 -4.625 -12.559 1.00 0.00 C ATOM 0 H TRP A 62 13.614 -0.006 -8.999 1.00 0.00 H new ATOM 0 HA TRP A 62 11.708 -1.832 -10.047 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.237 -2.091 -7.477 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.588 -3.363 -8.493 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.606 -1.039 -8.229 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.434 -1.707 -9.942 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.833 -4.406 -10.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.608 -3.498 -12.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.908 -5.571 -12.723 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.212 -5.162 -13.400 1.00 0.00 H new ATOM 1058 N THR A 63 10.186 -2.262 -7.842 1.00 0.00 N ATOM 1059 CA THR A 63 9.008 -2.201 -6.994 1.00 0.00 C ATOM 1060 C THR A 63 8.984 -3.386 -6.027 1.00 0.00 C ATOM 1061 O THR A 63 10.028 -3.958 -5.715 1.00 0.00 O ATOM 1062 CB THR A 63 7.777 -2.131 -7.900 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.573 -3.480 -8.313 1.00 0.00 O ATOM 1064 CG2 THR A 63 8.051 -1.380 -9.204 1.00 0.00 C ATOM 0 H THR A 63 10.471 -3.204 -8.108 1.00 0.00 H new ATOM 0 HA THR A 63 9.019 -1.310 -6.366 1.00 0.00 H new ATOM 0 HB THR A 63 6.961 -1.644 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.660 -3.584 -8.653 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.145 -1.360 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.359 -0.359 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.844 -1.885 -9.755 1.00 0.00 H new ATOM 1072 N GLU A 64 7.783 -3.720 -5.579 1.00 0.00 N ATOM 1073 CA GLU A 64 7.610 -4.826 -4.654 1.00 0.00 C ATOM 1074 C GLU A 64 7.639 -6.158 -5.407 1.00 0.00 C ATOM 1075 O GLU A 64 8.671 -6.824 -5.458 1.00 0.00 O ATOM 1076 CB GLU A 64 6.313 -4.676 -3.856 1.00 0.00 C ATOM 1077 CG GLU A 64 6.550 -3.883 -2.569 1.00 0.00 C ATOM 1078 CD GLU A 64 5.965 -4.614 -1.359 1.00 0.00 C ATOM 1079 OE1 GLU A 64 6.644 -5.544 -0.874 1.00 0.00 O ATOM 1080 OE2 GLU A 64 4.850 -4.226 -0.946 1.00 0.00 O ATOM 0 H GLU A 64 6.920 -3.243 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 64 8.438 -4.813 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.563 -4.172 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.916 -5.661 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.619 -3.730 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.096 -2.896 -2.657 1.00 0.00 H new ATOM 1087 N GLU A 65 6.492 -6.506 -5.974 1.00 0.00 N ATOM 1088 CA GLU A 65 6.373 -7.745 -6.722 1.00 0.00 C ATOM 1089 C GLU A 65 7.555 -7.902 -7.681 1.00 0.00 C ATOM 1090 O GLU A 65 7.941 -9.020 -8.020 1.00 0.00 O ATOM 1091 CB GLU A 65 5.044 -7.805 -7.477 1.00 0.00 C ATOM 1092 CG GLU A 65 4.587 -6.405 -7.894 1.00 0.00 C ATOM 1093 CD GLU A 65 4.018 -6.415 -9.314 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.180 -7.302 -9.584 1.00 0.00 O ATOM 1095 OE2 GLU A 65 4.435 -5.535 -10.098 1.00 0.00 O ATOM 0 H GLU A 65 5.638 -5.951 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 65 6.390 -8.575 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.151 -8.435 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.284 -8.267 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.831 -6.043 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.427 -5.713 -7.840 1.00 0.00 H new ATOM 1102 N GLU A 66 8.098 -6.765 -8.091 1.00 0.00 N ATOM 1103 CA GLU A 66 9.229 -6.762 -9.004 1.00 0.00 C ATOM 1104 C GLU A 66 10.492 -7.243 -8.287 1.00 0.00 C ATOM 1105 O GLU A 66 11.328 -7.921 -8.882 1.00 0.00 O ATOM 1106 CB GLU A 66 9.438 -5.374 -9.613 1.00 0.00 C ATOM 1107 CG GLU A 66 8.396 -5.086 -10.694 1.00 0.00 C ATOM 1108 CD GLU A 66 9.054 -4.518 -11.953 1.00 0.00 C ATOM 1109 OE1 GLU A 66 9.551 -3.375 -11.867 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.045 -5.240 -12.974 1.00 0.00 O ATOM 0 H GLU A 66 7.776 -5.840 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 66 9.014 -7.452 -9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.375 -4.617 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.438 -5.308 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.861 -6.003 -10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.659 -4.379 -10.314 1.00 0.00 H new ATOM 1117 N ASP A 67 10.590 -6.873 -7.019 1.00 0.00 N ATOM 1118 CA ASP A 67 11.737 -7.259 -6.214 1.00 0.00 C ATOM 1119 C ASP A 67 11.730 -8.776 -6.017 1.00 0.00 C ATOM 1120 O ASP A 67 12.725 -9.446 -6.292 1.00 0.00 O ATOM 1121 CB ASP A 67 11.686 -6.603 -4.833 1.00 0.00 C ATOM 1122 CG ASP A 67 13.050 -6.278 -4.220 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.622 -7.194 -3.590 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.490 -5.121 -4.396 1.00 0.00 O ATOM 0 H ASP A 67 9.895 -6.310 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 67 12.638 -6.935 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.109 -5.681 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.147 -7.263 -4.153 1.00 0.00 H new ATOM 1129 N ARG A 68 10.598 -9.274 -5.543 1.00 0.00 N ATOM 1130 CA ARG A 68 10.449 -10.700 -5.306 1.00 0.00 C ATOM 1131 C ARG A 68 10.756 -11.485 -6.583 1.00 0.00 C ATOM 1132 O ARG A 68 11.692 -12.282 -6.616 1.00 0.00 O ATOM 1133 CB ARG A 68 9.031 -11.035 -4.838 1.00 0.00 C ATOM 1134 CG ARG A 68 8.736 -10.393 -3.481 1.00 0.00 C ATOM 1135 CD ARG A 68 9.096 -11.341 -2.335 1.00 0.00 C ATOM 1136 NE ARG A 68 8.323 -12.597 -2.456 1.00 0.00 N ATOM 1137 CZ ARG A 68 7.006 -12.693 -2.231 1.00 0.00 C ATOM 1138 NH1 ARG A 68 6.307 -11.608 -1.872 1.00 0.00 N ATOM 1139 NH2 ARG A 68 6.387 -13.875 -2.365 1.00 0.00 N ATOM 0 H ARG A 68 9.775 -8.716 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 68 11.154 -10.982 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.309 -10.684 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.914 -12.116 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.302 -9.467 -3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.680 -10.129 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.164 -11.558 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.884 -10.865 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 68 8.824 -13.443 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.778 -10.709 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.304 -11.681 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.919 -14.701 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.384 -13.948 -2.194 1.00 0.00 H new ATOM 1153 N ILE A 69 9.949 -11.232 -7.603 1.00 0.00 N ATOM 1154 CA ILE A 69 10.123 -11.905 -8.879 1.00 0.00 C ATOM 1155 C ILE A 69 11.615 -12.113 -9.142 1.00 0.00 C ATOM 1156 O ILE A 69 12.046 -13.223 -9.449 1.00 0.00 O ATOM 1157 CB ILE A 69 9.403 -11.139 -9.991 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.891 -11.131 -9.762 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.772 -11.696 -11.368 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.231 -9.959 -10.492 1.00 0.00 C ATOM 0 H ILE A 69 9.173 -10.570 -7.572 1.00 0.00 H new ATOM 0 HA ILE A 69 9.663 -12.893 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 69 9.737 -10.102 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.462 -12.070 -10.112 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.682 -11.063 -8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.247 -11.134 -12.140 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.847 -11.605 -11.521 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.485 -12.746 -11.425 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.156 -9.977 -10.312 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.645 -9.021 -10.123 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.421 -10.043 -11.562 1.00 0.00 H new ATOM 1172 N ILE A 70 12.364 -11.027 -9.011 1.00 0.00 N ATOM 1173 CA ILE A 70 13.799 -11.077 -9.231 1.00 0.00 C ATOM 1174 C ILE A 70 14.407 -12.176 -8.356 1.00 0.00 C ATOM 1175 O ILE A 70 14.937 -13.160 -8.869 1.00 0.00 O ATOM 1176 CB ILE A 70 14.424 -9.698 -9.008 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.695 -8.628 -9.824 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.925 -9.722 -9.303 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.529 -8.199 -11.033 1.00 0.00 C ATOM 0 H ILE A 70 12.003 -10.108 -8.755 1.00 0.00 H new ATOM 0 HA ILE A 70 14.016 -11.336 -10.267 1.00 0.00 H new ATOM 0 HB ILE A 70 14.308 -9.435 -7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.733 -9.014 -10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.489 -7.763 -9.194 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.344 -8.730 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.414 -10.438 -8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.087 -10.015 -10.340 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.989 -7.438 -11.596 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.481 -7.791 -10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.713 -9.062 -11.673 1.00 0.00 H new ATOM 1191 N PHE A 71 14.309 -11.971 -7.051 1.00 0.00 N ATOM 1192 CA PHE A 71 14.843 -12.931 -6.101 1.00 0.00 C ATOM 1193 C PHE A 71 14.190 -14.303 -6.283 1.00 0.00 C ATOM 1194 O PHE A 71 14.688 -15.304 -5.770 1.00 0.00 O ATOM 1195 CB PHE A 71 14.515 -12.406 -4.702 1.00 0.00 C ATOM 1196 CG PHE A 71 14.613 -13.464 -3.601 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.637 -14.402 -3.471 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.675 -13.465 -2.752 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.728 -15.384 -2.449 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.766 -14.447 -1.730 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.791 -15.386 -1.600 1.00 0.00 C ATOM 0 H PHE A 71 13.868 -11.154 -6.629 1.00 0.00 H new ATOM 0 HA PHE A 71 15.916 -13.046 -6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.193 -11.586 -4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.506 -11.994 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.793 -14.400 -4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.449 -12.719 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.953 -16.129 -2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.610 -14.448 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.861 -16.133 -0.823 1.00 0.00 H new ATOM 1211 N GLU A 72 13.085 -14.305 -7.015 1.00 0.00 N ATOM 1212 CA GLU A 72 12.360 -15.537 -7.271 1.00 0.00 C ATOM 1213 C GLU A 72 12.962 -16.268 -8.473 1.00 0.00 C ATOM 1214 O GLU A 72 12.977 -17.497 -8.513 1.00 0.00 O ATOM 1215 CB GLU A 72 10.870 -15.262 -7.487 1.00 0.00 C ATOM 1216 CG GLU A 72 10.360 -15.963 -8.747 1.00 0.00 C ATOM 1217 CD GLU A 72 8.840 -15.840 -8.866 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.396 -14.821 -9.439 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.155 -16.767 -8.382 1.00 0.00 O ATOM 0 H GLU A 72 12.675 -13.473 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 72 12.454 -16.179 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.304 -15.605 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.703 -14.188 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.834 -15.527 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.642 -17.015 -8.721 1.00 0.00 H new ATOM 1226 N ALA A 73 13.444 -15.480 -9.423 1.00 0.00 N ATOM 1227 CA ALA A 73 14.046 -16.037 -10.622 1.00 0.00 C ATOM 1228 C ALA A 73 15.520 -16.346 -10.352 1.00 0.00 C ATOM 1229 O ALA A 73 16.086 -17.261 -10.948 1.00 0.00 O ATOM 1230 CB ALA A 73 13.859 -15.062 -11.787 1.00 0.00 C ATOM 0 H ALA A 73 13.430 -14.461 -9.387 1.00 0.00 H new ATOM 0 HA ALA A 73 13.558 -16.972 -10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.311 -15.479 -12.687 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.795 -14.898 -11.957 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.338 -14.113 -11.548 1.00 0.00 H new ATOM 1236 N HIS A 74 16.100 -15.565 -9.452 1.00 0.00 N ATOM 1237 CA HIS A 74 17.497 -15.744 -9.095 1.00 0.00 C ATOM 1238 C HIS A 74 17.681 -17.097 -8.403 1.00 0.00 C ATOM 1239 O HIS A 74 18.805 -17.571 -8.248 1.00 0.00 O ATOM 1240 CB HIS A 74 17.995 -14.572 -8.247 1.00 0.00 C ATOM 1241 CG HIS A 74 19.494 -14.387 -8.275 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.323 -14.824 -7.257 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.303 -13.809 -9.209 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.572 -14.517 -7.574 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.558 -13.888 -8.784 1.00 0.00 N ATOM 0 H HIS A 74 15.628 -14.807 -8.960 1.00 0.00 H new ATOM 0 HA HIS A 74 18.109 -15.750 -9.997 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.519 -13.656 -8.597 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.677 -14.722 -7.215 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.977 -13.363 -10.137 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.448 -14.728 -6.979 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.377 -13.536 -9.280 1.00 0.00 H new ATOM 1253 N LYS A 75 16.559 -17.680 -8.006 1.00 0.00 N ATOM 1254 CA LYS A 75 16.582 -18.968 -7.335 1.00 0.00 C ATOM 1255 C LYS A 75 16.151 -20.058 -8.317 1.00 0.00 C ATOM 1256 O LYS A 75 15.829 -21.174 -7.911 1.00 0.00 O ATOM 1257 CB LYS A 75 15.740 -18.922 -6.058 1.00 0.00 C ATOM 1258 CG LYS A 75 14.326 -18.418 -6.352 1.00 0.00 C ATOM 1259 CD LYS A 75 13.428 -18.555 -5.121 1.00 0.00 C ATOM 1260 CE LYS A 75 12.797 -19.947 -5.054 1.00 0.00 C ATOM 1261 NZ LYS A 75 11.607 -20.019 -5.931 1.00 0.00 N ATOM 0 H LYS A 75 15.628 -17.284 -8.136 1.00 0.00 H new ATOM 0 HA LYS A 75 17.594 -19.212 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.691 -19.917 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.218 -18.270 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.366 -17.374 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.900 -18.982 -7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.012 -18.373 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.644 -17.798 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.526 -20.698 -5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.513 -20.175 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.191 -20.970 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.906 -19.315 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.887 -19.822 -6.913 1.00 0.00 H new ATOM 1275 N VAL A 76 16.157 -19.697 -9.592 1.00 0.00 N ATOM 1276 CA VAL A 76 15.770 -20.631 -10.636 1.00 0.00 C ATOM 1277 C VAL A 76 16.946 -20.836 -11.593 1.00 0.00 C ATOM 1278 O VAL A 76 17.169 -21.943 -12.081 1.00 0.00 O ATOM 1279 CB VAL A 76 14.506 -20.134 -11.341 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.717 -21.300 -11.940 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.634 -19.313 -10.388 1.00 0.00 C ATOM 0 H VAL A 76 16.424 -18.771 -9.926 1.00 0.00 H new ATOM 0 HA VAL A 76 15.526 -21.603 -10.207 1.00 0.00 H new ATOM 0 HB VAL A 76 14.813 -19.483 -12.159 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.824 -20.919 -12.435 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.338 -21.825 -12.666 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.426 -21.988 -11.146 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.742 -18.972 -10.914 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.341 -19.931 -9.539 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.197 -18.451 -10.031 1.00 0.00 H new ATOM 1291 N LEU A 77 17.669 -19.751 -11.832 1.00 0.00 N ATOM 1292 CA LEU A 77 18.817 -19.798 -12.722 1.00 0.00 C ATOM 1293 C LEU A 77 20.069 -19.367 -11.955 1.00 0.00 C ATOM 1294 O LEU A 77 20.942 -20.187 -11.675 1.00 0.00 O ATOM 1295 CB LEU A 77 18.552 -18.971 -13.982 1.00 0.00 C ATOM 1296 CG LEU A 77 17.088 -18.849 -14.409 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.506 -17.498 -13.988 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.932 -19.098 -15.910 1.00 0.00 C ATOM 0 H LEU A 77 17.482 -18.835 -11.425 1.00 0.00 H new ATOM 0 HA LEU A 77 18.990 -20.817 -13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.948 -17.968 -13.824 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.115 -19.410 -14.806 1.00 0.00 H new ATOM 0 HG LEU A 77 16.516 -19.621 -13.894 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.464 -17.436 -14.303 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.564 -17.399 -12.904 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.075 -16.695 -14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.882 -19.005 -16.187 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.519 -18.365 -16.463 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.283 -20.101 -16.151 1.00 0.00 H new ATOM 1310 N GLY A 78 20.116 -18.082 -11.637 1.00 0.00 N ATOM 1311 CA GLY A 78 21.246 -17.532 -10.908 1.00 0.00 C ATOM 1312 C GLY A 78 21.508 -16.081 -11.316 1.00 0.00 C ATOM 1313 O GLY A 78 20.664 -15.211 -11.105 1.00 0.00 O ATOM 0 H GLY A 78 19.389 -17.405 -11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.052 -17.583 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.135 -18.134 -11.100 1.00 0.00 H new ATOM 1317 N ASN A 79 22.681 -15.865 -11.892 1.00 0.00 N ATOM 1318 CA ASN A 79 23.065 -14.534 -12.331 1.00 0.00 C ATOM 1319 C ASN A 79 22.595 -14.321 -13.771 1.00 0.00 C ATOM 1320 O ASN A 79 23.104 -13.448 -14.472 1.00 0.00 O ATOM 1321 CB ASN A 79 24.585 -14.360 -12.300 1.00 0.00 C ATOM 1322 CG ASN A 79 25.286 -15.704 -12.091 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.158 -16.629 -12.876 1.00 0.00 O ATOM 1324 ND2 ASN A 79 26.032 -15.760 -10.991 1.00 0.00 N ATOM 0 H ASN A 79 23.378 -16.589 -12.065 1.00 0.00 H new ATOM 0 HA ASN A 79 22.605 -13.812 -11.656 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.922 -13.911 -13.234 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.860 -13.674 -11.499 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.540 -16.614 -10.762 1.00 0.00 H new ATOM 0 HD22 ASN A 79 26.096 -14.949 -10.376 1.00 0.00 H new ATOM 1331 N ARG A 80 21.628 -15.134 -14.170 1.00 0.00 N ATOM 1332 CA ARG A 80 21.082 -15.046 -15.514 1.00 0.00 C ATOM 1333 C ARG A 80 20.215 -13.793 -15.654 1.00 0.00 C ATOM 1334 O ARG A 80 19.049 -13.881 -16.035 1.00 0.00 O ATOM 1335 CB ARG A 80 20.242 -16.280 -15.850 1.00 0.00 C ATOM 1336 CG ARG A 80 20.701 -16.914 -17.164 1.00 0.00 C ATOM 1337 CD ARG A 80 19.514 -17.488 -17.940 1.00 0.00 C ATOM 1338 NE ARG A 80 19.904 -18.755 -18.598 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.633 -18.825 -19.720 1.00 0.00 C ATOM 1340 NH1 ARG A 80 21.056 -17.701 -20.315 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.940 -20.018 -20.247 1.00 0.00 N ATOM 0 H ARG A 80 21.208 -15.857 -13.586 1.00 0.00 H new ATOM 0 HA ARG A 80 21.920 -14.991 -16.209 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.321 -17.009 -15.043 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.191 -16.000 -15.925 1.00 0.00 H new ATOM 0 HG2 ARG A 80 21.212 -16.168 -17.773 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.422 -17.705 -16.958 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.677 -17.663 -17.264 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.176 -16.770 -18.687 1.00 0.00 H new ATOM 0 HE ARG A 80 19.599 -19.629 -18.171 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.823 -16.793 -19.914 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.611 -17.754 -21.169 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.619 -20.874 -19.794 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.495 -20.071 -21.101 1.00 0.00 H new ATOM 1355 N TRP A 81 20.818 -12.656 -15.338 1.00 0.00 N ATOM 1356 CA TRP A 81 20.116 -11.387 -15.424 1.00 0.00 C ATOM 1357 C TRP A 81 19.492 -11.285 -16.817 1.00 0.00 C ATOM 1358 O TRP A 81 18.386 -10.770 -16.970 1.00 0.00 O ATOM 1359 CB TRP A 81 21.050 -10.220 -15.099 1.00 0.00 C ATOM 1360 CG TRP A 81 22.082 -10.532 -14.014 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.416 -10.588 -14.135 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.809 -10.830 -12.629 1.00 0.00 C ATOM 1363 NE1 TRP A 81 24.020 -10.900 -12.934 1.00 0.00 N ATOM 1364 CE2 TRP A 81 23.012 -11.051 -11.989 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.587 -10.911 -11.939 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.110 -11.367 -10.628 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.702 -11.227 -10.580 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.905 -11.453 -9.921 1.00 0.00 C ATOM 0 H TRP A 81 21.785 -12.587 -15.022 1.00 0.00 H new ATOM 0 HA TRP A 81 19.319 -11.336 -14.682 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.573 -9.922 -16.008 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.451 -9.366 -14.782 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.951 -10.411 -15.057 1.00 0.00 H new ATOM 0 HE1 TRP A 81 25.022 -11.001 -12.770 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.634 -10.743 -12.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 24.064 -11.535 -10.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.792 -11.300 -10.003 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.910 -11.694 -8.868 1.00 0.00 H new ATOM 1379 N ALA A 82 20.230 -11.784 -17.798 1.00 0.00 N ATOM 1380 CA ALA A 82 19.764 -11.756 -19.174 1.00 0.00 C ATOM 1381 C ALA A 82 18.384 -12.412 -19.254 1.00 0.00 C ATOM 1382 O ALA A 82 17.603 -12.116 -20.158 1.00 0.00 O ATOM 1383 CB ALA A 82 20.790 -12.445 -20.076 1.00 0.00 C ATOM 0 H ALA A 82 21.147 -12.210 -17.667 1.00 0.00 H new ATOM 0 HA ALA A 82 19.662 -10.728 -19.523 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.440 -12.424 -21.108 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.745 -11.923 -20.006 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.918 -13.480 -19.758 1.00 0.00 H new ATOM 1389 N GLU A 83 18.125 -13.289 -18.296 1.00 0.00 N ATOM 1390 CA GLU A 83 16.852 -13.990 -18.247 1.00 0.00 C ATOM 1391 C GLU A 83 15.926 -13.336 -17.219 1.00 0.00 C ATOM 1392 O GLU A 83 14.731 -13.181 -17.465 1.00 0.00 O ATOM 1393 CB GLU A 83 17.055 -15.474 -17.937 1.00 0.00 C ATOM 1394 CG GLU A 83 16.907 -16.324 -19.200 1.00 0.00 C ATOM 1395 CD GLU A 83 15.444 -16.399 -19.642 1.00 0.00 C ATOM 1396 OE1 GLU A 83 15.030 -15.489 -20.392 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.773 -17.366 -19.219 1.00 0.00 O ATOM 0 H GLU A 83 18.774 -13.531 -17.547 1.00 0.00 H new ATOM 0 HA GLU A 83 16.382 -13.919 -19.228 1.00 0.00 H new ATOM 0 HB2 GLU A 83 18.044 -15.627 -17.506 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.329 -15.796 -17.191 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.511 -15.899 -20.001 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.286 -17.329 -19.013 1.00 0.00 H new ATOM 1404 N ILE A 84 16.514 -12.971 -16.089 1.00 0.00 N ATOM 1405 CA ILE A 84 15.756 -12.338 -15.023 1.00 0.00 C ATOM 1406 C ILE A 84 14.888 -11.224 -15.611 1.00 0.00 C ATOM 1407 O ILE A 84 13.712 -11.104 -15.272 1.00 0.00 O ATOM 1408 CB ILE A 84 16.692 -11.864 -13.909 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.487 -13.034 -13.326 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.919 -11.103 -12.830 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.707 -13.724 -12.205 1.00 0.00 C ATOM 0 H ILE A 84 17.506 -13.101 -15.889 1.00 0.00 H new ATOM 0 HA ILE A 84 15.081 -13.056 -14.558 1.00 0.00 H new ATOM 0 HB ILE A 84 17.412 -11.169 -14.341 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.712 -13.753 -14.113 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.441 -12.674 -12.941 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.608 -10.777 -12.050 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.436 -10.233 -13.274 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.162 -11.756 -12.396 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.295 -14.552 -11.809 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.505 -13.008 -11.408 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.764 -14.104 -12.598 1.00 0.00 H new ATOM 1423 N ALA A 85 15.501 -10.439 -16.484 1.00 0.00 N ATOM 1424 CA ALA A 85 14.799 -9.339 -17.124 1.00 0.00 C ATOM 1425 C ALA A 85 13.748 -9.900 -18.084 1.00 0.00 C ATOM 1426 O ALA A 85 12.666 -9.333 -18.225 1.00 0.00 O ATOM 1427 CB ALA A 85 15.808 -8.431 -17.830 1.00 0.00 C ATOM 0 H ALA A 85 16.476 -10.543 -16.764 1.00 0.00 H new ATOM 0 HA ALA A 85 14.278 -8.733 -16.383 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.282 -7.606 -18.310 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.514 -8.035 -17.100 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.348 -9.004 -18.584 1.00 0.00 H new ATOM 1433 N LYS A 86 14.104 -11.007 -18.718 1.00 0.00 N ATOM 1434 CA LYS A 86 13.205 -11.651 -19.661 1.00 0.00 C ATOM 1435 C LYS A 86 11.911 -12.039 -18.942 1.00 0.00 C ATOM 1436 O LYS A 86 10.885 -12.266 -19.581 1.00 0.00 O ATOM 1437 CB LYS A 86 13.902 -12.827 -20.348 1.00 0.00 C ATOM 1438 CG LYS A 86 14.718 -12.352 -21.552 1.00 0.00 C ATOM 1439 CD LYS A 86 14.939 -13.492 -22.548 1.00 0.00 C ATOM 1440 CE LYS A 86 16.342 -14.085 -22.401 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.404 -15.430 -23.016 1.00 0.00 N ATOM 0 H LYS A 86 15.002 -11.475 -18.598 1.00 0.00 H new ATOM 0 HA LYS A 86 12.933 -10.961 -20.459 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.556 -13.333 -19.637 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.159 -13.556 -20.672 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.201 -11.529 -22.045 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.680 -11.967 -21.215 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.193 -14.270 -22.387 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.801 -13.123 -23.564 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.072 -13.428 -22.874 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.607 -14.149 -21.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.398 -15.704 -23.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.938 -16.119 -22.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.920 -15.414 -23.936 1.00 0.00 H new ATOM 1455 N LEU A 87 12.001 -12.101 -17.621 1.00 0.00 N ATOM 1456 CA LEU A 87 10.851 -12.457 -16.808 1.00 0.00 C ATOM 1457 C LEU A 87 10.136 -11.182 -16.357 1.00 0.00 C ATOM 1458 O LEU A 87 8.988 -11.231 -15.920 1.00 0.00 O ATOM 1459 CB LEU A 87 11.272 -13.367 -15.653 1.00 0.00 C ATOM 1460 CG LEU A 87 11.562 -14.825 -16.018 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.800 -15.339 -15.280 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.338 -15.707 -15.767 1.00 0.00 C ATOM 0 H LEU A 87 12.853 -11.911 -17.094 1.00 0.00 H new ATOM 0 HA LEU A 87 10.135 -13.034 -17.393 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.164 -12.945 -15.191 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.485 -13.352 -14.899 1.00 0.00 H new ATOM 0 HG LEU A 87 11.780 -14.873 -17.085 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.984 -16.377 -15.557 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.664 -14.732 -15.552 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.635 -15.274 -14.204 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.571 -16.738 -16.035 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.065 -15.659 -14.713 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.505 -15.354 -16.374 1.00 0.00 H new ATOM 1474 N LEU A 88 10.846 -10.069 -16.480 1.00 0.00 N ATOM 1475 CA LEU A 88 10.294 -8.783 -16.090 1.00 0.00 C ATOM 1476 C LEU A 88 10.492 -7.782 -17.230 1.00 0.00 C ATOM 1477 O LEU A 88 11.586 -7.248 -17.409 1.00 0.00 O ATOM 1478 CB LEU A 88 10.891 -8.325 -14.758 1.00 0.00 C ATOM 1479 CG LEU A 88 10.814 -9.330 -13.608 1.00 0.00 C ATOM 1480 CD1 LEU A 88 12.214 -9.747 -13.150 1.00 0.00 C ATOM 1481 CD2 LEU A 88 9.974 -8.780 -12.454 1.00 0.00 C ATOM 0 H LEU A 88 11.798 -10.032 -16.844 1.00 0.00 H new ATOM 0 HA LEU A 88 9.221 -8.865 -15.920 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.938 -8.069 -14.921 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.383 -7.411 -14.450 1.00 0.00 H new ATOM 0 HG LEU A 88 10.313 -10.227 -13.971 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.131 -10.462 -12.331 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.747 -10.208 -13.982 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.762 -8.868 -12.810 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.936 -9.515 -11.650 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.424 -7.859 -12.083 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.963 -8.574 -12.806 1.00 0.00 H new ATOM 1493 N PRO A 89 9.389 -7.550 -17.991 1.00 0.00 N ATOM 1494 CA PRO A 89 9.431 -6.623 -19.108 1.00 0.00 C ATOM 1495 C PRO A 89 9.439 -5.173 -18.617 1.00 0.00 C ATOM 1496 O PRO A 89 8.419 -4.666 -18.153 1.00 0.00 O ATOM 1497 CB PRO A 89 8.208 -6.959 -19.945 1.00 0.00 C ATOM 1498 CG PRO A 89 7.279 -7.742 -19.031 1.00 0.00 C ATOM 1499 CD PRO A 89 8.077 -8.164 -17.808 1.00 0.00 C ATOM 0 HA PRO A 89 10.341 -6.719 -19.700 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.724 -6.053 -20.310 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.483 -7.548 -20.820 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.426 -7.130 -18.738 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.882 -8.616 -19.548 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.604 -7.820 -16.888 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.154 -9.249 -17.740 1.00 0.00 H new ATOM 1507 N GLY A 90 10.601 -4.548 -18.737 1.00 0.00 N ATOM 1508 CA GLY A 90 10.755 -3.167 -18.312 1.00 0.00 C ATOM 1509 C GLY A 90 12.213 -2.860 -17.963 1.00 0.00 C ATOM 1510 O GLY A 90 12.637 -1.707 -18.014 1.00 0.00 O ATOM 0 H GLY A 90 11.445 -4.972 -19.122 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.419 -2.499 -19.105 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.122 -2.977 -17.445 1.00 0.00 H new ATOM 1514 N ARG A 91 12.939 -3.913 -17.617 1.00 0.00 N ATOM 1515 CA ARG A 91 14.340 -3.770 -17.261 1.00 0.00 C ATOM 1516 C ARG A 91 15.203 -4.705 -18.112 1.00 0.00 C ATOM 1517 O ARG A 91 14.705 -5.687 -18.659 1.00 0.00 O ATOM 1518 CB ARG A 91 14.567 -4.086 -15.781 1.00 0.00 C ATOM 1519 CG ARG A 91 14.034 -2.960 -14.893 1.00 0.00 C ATOM 1520 CD ARG A 91 14.939 -1.729 -14.965 1.00 0.00 C ATOM 1521 NE ARG A 91 14.325 -0.604 -14.225 1.00 0.00 N ATOM 1522 CZ ARG A 91 14.648 0.683 -14.411 1.00 0.00 C ATOM 1523 NH1 ARG A 91 15.580 1.017 -15.313 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.038 1.637 -13.694 1.00 0.00 N ATOM 0 H ARG A 91 12.583 -4.868 -17.576 1.00 0.00 H new ATOM 0 HA ARG A 91 14.625 -2.735 -17.449 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.071 -5.022 -15.525 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.632 -4.228 -15.595 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.025 -2.692 -15.206 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.967 -3.306 -13.862 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.917 -1.961 -14.543 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.099 -1.446 -16.005 1.00 0.00 H new ATOM 0 HE ARG A 91 13.611 -0.822 -13.530 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.044 0.291 -15.859 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.825 1.997 -15.454 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.328 1.383 -13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.284 2.617 -13.835 1.00 0.00 H new ATOM 1538 N THR A 92 16.480 -4.365 -18.197 1.00 0.00 N ATOM 1539 CA THR A 92 17.416 -5.161 -18.973 1.00 0.00 C ATOM 1540 C THR A 92 18.220 -6.084 -18.054 1.00 0.00 C ATOM 1541 O THR A 92 17.845 -6.300 -16.903 1.00 0.00 O ATOM 1542 CB THR A 92 18.289 -4.205 -19.788 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.834 -3.318 -18.814 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.465 -3.295 -20.701 1.00 0.00 C ATOM 0 H THR A 92 16.889 -3.549 -17.741 1.00 0.00 H new ATOM 0 HA THR A 92 16.894 -5.819 -19.668 1.00 0.00 H new ATOM 0 HB THR A 92 18.994 -4.779 -20.389 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.415 -2.664 -19.256 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.133 -2.637 -21.257 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.891 -3.904 -21.400 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.783 -2.695 -20.098 1.00 0.00 H new ATOM 1552 N ASP A 93 19.310 -6.604 -18.599 1.00 0.00 N ATOM 1553 CA ASP A 93 20.170 -7.499 -17.843 1.00 0.00 C ATOM 1554 C ASP A 93 21.017 -6.681 -16.866 1.00 0.00 C ATOM 1555 O ASP A 93 21.072 -6.990 -15.677 1.00 0.00 O ATOM 1556 CB ASP A 93 21.120 -8.262 -18.768 1.00 0.00 C ATOM 1557 CG ASP A 93 20.619 -8.442 -20.202 1.00 0.00 C ATOM 1558 OD1 ASP A 93 19.381 -8.444 -20.376 1.00 0.00 O ATOM 1559 OD2 ASP A 93 21.486 -8.574 -21.093 1.00 0.00 O ATOM 0 H ASP A 93 19.617 -6.423 -19.555 1.00 0.00 H new ATOM 0 HA ASP A 93 19.535 -8.209 -17.313 1.00 0.00 H new ATOM 0 HB2 ASP A 93 22.075 -7.738 -18.796 1.00 0.00 H new ATOM 0 HB3 ASP A 93 21.309 -9.246 -18.339 1.00 0.00 H new ATOM 1564 N ASN A 94 21.657 -5.653 -17.405 1.00 0.00 N ATOM 1565 CA ASN A 94 22.499 -4.789 -16.596 1.00 0.00 C ATOM 1566 C ASN A 94 21.644 -4.106 -15.527 1.00 0.00 C ATOM 1567 O ASN A 94 22.173 -3.539 -14.572 1.00 0.00 O ATOM 1568 CB ASN A 94 23.149 -3.697 -17.449 1.00 0.00 C ATOM 1569 CG ASN A 94 24.669 -3.863 -17.487 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.326 -4.036 -16.474 1.00 0.00 O ATOM 1571 ND2 ASN A 94 25.190 -3.800 -18.709 1.00 0.00 N ATOM 0 H ASN A 94 21.609 -5.400 -18.392 1.00 0.00 H new ATOM 0 HA ASN A 94 23.277 -5.404 -16.143 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.750 -3.736 -18.463 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.897 -2.717 -17.045 1.00 0.00 H new ATOM 0 HD21 ASN A 94 26.197 -3.899 -18.840 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.583 -3.653 -19.515 1.00 0.00 H new ATOM 1578 N ALA A 95 20.336 -4.184 -15.723 1.00 0.00 N ATOM 1579 CA ALA A 95 19.402 -3.581 -14.787 1.00 0.00 C ATOM 1580 C ALA A 95 19.313 -4.450 -13.531 1.00 0.00 C ATOM 1581 O ALA A 95 19.738 -4.036 -12.454 1.00 0.00 O ATOM 1582 CB ALA A 95 18.044 -3.398 -15.467 1.00 0.00 C ATOM 0 H ALA A 95 19.901 -4.655 -16.516 1.00 0.00 H new ATOM 0 HA ALA A 95 19.749 -2.594 -14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.344 -2.946 -14.765 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.157 -2.749 -16.336 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.663 -4.368 -15.786 1.00 0.00 H new ATOM 1588 N VAL A 96 18.757 -5.639 -13.711 1.00 0.00 N ATOM 1589 CA VAL A 96 18.606 -6.570 -12.606 1.00 0.00 C ATOM 1590 C VAL A 96 19.973 -6.821 -11.966 1.00 0.00 C ATOM 1591 O VAL A 96 20.137 -6.657 -10.758 1.00 0.00 O ATOM 1592 CB VAL A 96 17.929 -7.853 -13.091 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.796 -8.867 -11.953 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.566 -7.550 -13.717 1.00 0.00 C ATOM 0 H VAL A 96 18.405 -5.979 -14.606 1.00 0.00 H new ATOM 0 HA VAL A 96 17.959 -6.148 -11.837 1.00 0.00 H new ATOM 0 HB VAL A 96 18.561 -8.295 -13.861 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.311 -9.770 -12.325 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.786 -9.117 -11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.196 -8.437 -11.151 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.106 -8.479 -14.054 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.923 -7.074 -12.976 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.697 -6.881 -14.567 1.00 0.00 H new ATOM 1604 N LYS A 97 20.920 -7.214 -12.805 1.00 0.00 N ATOM 1605 CA LYS A 97 22.268 -7.489 -12.337 1.00 0.00 C ATOM 1606 C LYS A 97 22.661 -6.447 -11.287 1.00 0.00 C ATOM 1607 O LYS A 97 22.921 -6.789 -10.135 1.00 0.00 O ATOM 1608 CB LYS A 97 23.239 -7.571 -13.516 1.00 0.00 C ATOM 1609 CG LYS A 97 24.657 -7.890 -13.038 1.00 0.00 C ATOM 1610 CD LYS A 97 25.590 -8.146 -14.223 1.00 0.00 C ATOM 1611 CE LYS A 97 25.924 -6.841 -14.949 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.367 -6.535 -14.827 1.00 0.00 N ATOM 0 H LYS A 97 20.781 -7.349 -13.806 1.00 0.00 H new ATOM 0 HA LYS A 97 22.311 -8.464 -11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.905 -8.339 -14.214 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.238 -6.626 -14.059 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.039 -7.061 -12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.638 -8.766 -12.390 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.508 -8.617 -13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.120 -8.843 -14.917 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.651 -6.923 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.336 -6.024 -14.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.577 -5.646 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.617 -6.436 -13.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.922 -7.307 -15.248 1.00 0.00 H new ATOM 1626 N ASN A 98 22.692 -5.197 -11.724 1.00 0.00 N ATOM 1627 CA ASN A 98 23.049 -4.103 -10.837 1.00 0.00 C ATOM 1628 C ASN A 98 22.102 -4.097 -9.635 1.00 0.00 C ATOM 1629 O ASN A 98 22.534 -3.895 -8.501 1.00 0.00 O ATOM 1630 CB ASN A 98 22.920 -2.754 -11.547 1.00 0.00 C ATOM 1631 CG ASN A 98 23.857 -1.716 -10.925 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.659 -1.249 -9.816 1.00 0.00 O ATOM 1633 ND2 ASN A 98 24.885 -1.382 -11.700 1.00 0.00 N ATOM 0 H ASN A 98 22.476 -4.917 -12.681 1.00 0.00 H new ATOM 0 HA ASN A 98 24.082 -4.248 -10.522 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.153 -2.872 -12.605 1.00 0.00 H new ATOM 0 HB3 ASN A 98 21.890 -2.403 -11.485 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.567 -0.696 -11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.992 -1.812 -12.619 1.00 0.00 H new ATOM 1640 N HIS A 99 20.829 -4.321 -9.924 1.00 0.00 N ATOM 1641 CA HIS A 99 19.817 -4.343 -8.882 1.00 0.00 C ATOM 1642 C HIS A 99 20.235 -5.323 -7.783 1.00 0.00 C ATOM 1643 O HIS A 99 19.748 -5.241 -6.656 1.00 0.00 O ATOM 1644 CB HIS A 99 18.440 -4.662 -9.467 1.00 0.00 C ATOM 1645 CG HIS A 99 17.297 -4.436 -8.507 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.442 -3.740 -7.319 1.00 0.00 N ATOM 1647 CD2 HIS A 99 15.990 -4.820 -8.571 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.269 -3.713 -6.704 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.370 -4.384 -7.481 1.00 0.00 N ATOM 0 H HIS A 99 20.475 -4.489 -10.866 1.00 0.00 H new ATOM 0 HA HIS A 99 19.735 -3.355 -8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.283 -4.048 -10.354 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.427 -5.702 -9.793 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.536 -5.383 -9.373 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.061 -3.243 -5.754 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.384 -4.527 -7.261 1.00 0.00 H new ATOM 1657 N TRP A 100 21.131 -6.227 -8.150 1.00 0.00 N ATOM 1658 CA TRP A 100 21.620 -7.221 -7.210 1.00 0.00 C ATOM 1659 C TRP A 100 22.570 -6.522 -6.234 1.00 0.00 C ATOM 1660 O TRP A 100 22.510 -6.757 -5.028 1.00 0.00 O ATOM 1661 CB TRP A 100 22.273 -8.394 -7.942 1.00 0.00 C ATOM 1662 CG TRP A 100 21.974 -9.760 -7.320 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.841 -10.737 -7.021 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.679 -10.263 -6.931 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.201 -11.829 -6.470 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.845 -11.531 -6.414 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.409 -9.665 -7.014 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.783 -12.310 -5.938 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.358 -10.457 -6.535 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.508 -11.736 -6.011 1.00 0.00 C ATOM 0 H TRP A 100 21.531 -6.292 -9.086 1.00 0.00 H new ATOM 0 HA TRP A 100 20.795 -7.654 -6.644 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.935 -8.396 -8.978 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.352 -8.243 -7.959 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.906 -10.678 -7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.642 -12.695 -6.161 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.256 -8.674 -7.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.939 -13.300 -5.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.360 -10.045 -6.576 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.645 -12.284 -5.662 1.00 0.00 H new ATOM 1681 N ASN A 101 23.424 -5.678 -6.792 1.00 0.00 N ATOM 1682 CA ASN A 101 24.385 -4.943 -5.987 1.00 0.00 C ATOM 1683 C ASN A 101 23.801 -3.577 -5.622 1.00 0.00 C ATOM 1684 O ASN A 101 24.440 -2.790 -4.927 1.00 0.00 O ATOM 1685 CB ASN A 101 25.686 -4.711 -6.757 1.00 0.00 C ATOM 1686 CG ASN A 101 26.543 -5.978 -6.782 1.00 0.00 C ATOM 1687 OD1 ASN A 101 27.215 -6.323 -5.823 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.482 -6.650 -7.928 1.00 0.00 N ATOM 0 H ASN A 101 23.471 -5.486 -7.793 1.00 0.00 H new ATOM 0 HA ASN A 101 24.595 -5.531 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.459 -4.402 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.246 -3.898 -6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.018 -7.510 -8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.899 -6.305 -8.691 1.00 0.00 H new ATOM 1695 N SER A 102 22.592 -3.337 -6.109 1.00 0.00 N ATOM 1696 CA SER A 102 21.914 -2.080 -5.844 1.00 0.00 C ATOM 1697 C SER A 102 21.342 -2.083 -4.425 1.00 0.00 C ATOM 1698 O SER A 102 21.878 -1.425 -3.534 1.00 0.00 O ATOM 1699 CB SER A 102 20.802 -1.828 -6.864 1.00 0.00 C ATOM 1700 OG SER A 102 21.290 -1.850 -8.202 1.00 0.00 O ATOM 0 H SER A 102 22.065 -3.992 -6.686 1.00 0.00 H new ATOM 0 HA SER A 102 22.642 -1.274 -5.934 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.026 -2.585 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.338 -0.862 -6.663 1.00 0.00 H new ATOM 0 HG SER A 102 22.171 -2.278 -8.222 1.00 0.00 H new ATOM 1706 N THR A 103 20.262 -2.832 -4.258 1.00 0.00 N ATOM 1707 CA THR A 103 19.612 -2.930 -2.962 1.00 0.00 C ATOM 1708 C THR A 103 19.341 -4.394 -2.610 1.00 0.00 C ATOM 1709 O THR A 103 18.910 -4.700 -1.500 1.00 0.00 O ATOM 1710 CB THR A 103 18.347 -2.070 -3.002 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.784 -0.789 -2.558 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.316 -2.496 -1.954 1.00 0.00 C ATOM 0 H THR A 103 19.821 -3.377 -4.999 1.00 0.00 H new ATOM 0 HA THR A 103 20.255 -2.552 -2.167 1.00 0.00 H new ATOM 0 HB THR A 103 17.901 -2.127 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.026 -0.168 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.438 -1.854 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.024 -3.531 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.751 -2.407 -0.959 1.00 0.00 H new ATOM 1720 N ILE A 104 19.605 -5.260 -3.578 1.00 0.00 N ATOM 1721 CA ILE A 104 19.395 -6.685 -3.384 1.00 0.00 C ATOM 1722 C ILE A 104 20.750 -7.382 -3.250 1.00 0.00 C ATOM 1723 O ILE A 104 20.968 -8.440 -3.838 1.00 0.00 O ATOM 1724 CB ILE A 104 18.518 -7.254 -4.501 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.209 -6.472 -4.623 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.275 -8.751 -4.299 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.661 -6.539 -6.050 1.00 0.00 C ATOM 0 H ILE A 104 19.962 -5.003 -4.498 1.00 0.00 H new ATOM 0 HA ILE A 104 18.850 -6.867 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 104 19.051 -7.139 -5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.473 -6.877 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.375 -5.432 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.649 -9.130 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.229 -9.278 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.774 -8.913 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.730 -5.975 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 104 17.389 -6.111 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.473 -7.578 -6.319 1.00 0.00 H new ATOM 1739 N LYS A 105 21.626 -6.760 -2.474 1.00 0.00 N ATOM 1740 CA LYS A 105 22.953 -7.308 -2.255 1.00 0.00 C ATOM 1741 C LYS A 105 23.058 -7.822 -0.818 1.00 0.00 C ATOM 1742 O LYS A 105 24.113 -7.718 -0.193 1.00 0.00 O ATOM 1743 CB LYS A 105 24.024 -6.278 -2.619 1.00 0.00 C ATOM 1744 CG LYS A 105 23.391 -4.935 -2.989 1.00 0.00 C ATOM 1745 CD LYS A 105 22.804 -4.248 -1.754 1.00 0.00 C ATOM 1746 CE LYS A 105 23.659 -3.052 -1.334 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.580 -2.846 0.130 1.00 0.00 N ATOM 0 H LYS A 105 21.442 -5.882 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 105 23.126 -8.160 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.705 -6.144 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.618 -6.646 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.140 -4.289 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.607 -5.090 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.788 -3.916 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.741 -4.961 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.695 -3.217 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 105 23.320 -2.155 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.166 -2.030 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.592 -2.667 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.926 -3.696 0.619 1.00 0.00 H new