USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 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 :FLIP amide:sc= 0.85 F(o=-2.9,f=-1.6) USER MOD Set 1.2: A 102 SER OG : rot -159:sc= -2.48! USER MOD Set 2.1: A 92 THR OG1 : rot 144:sc= -0.0846 USER MOD Set 2.2: A 94 ASN : amide:sc= -0.296 K(o=-0.38,f=-5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.37! C(o=-2.4!,f=-2.7!) 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+ 143:sc= 1.04 (180deg=-1.42) 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 : amide:sc= -6.32! C(o=-6.3!,f=-9.1!) 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 :FLIP no HD1:sc= -14.3! C(o=-18!,f=-14!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -103:sc= 0.952 (180deg=-1.44!) USER MOD Single : A 44 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.4) USER MOD Single : A 45 CYS SG : rot 180:sc= -3.98 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.357 F(o=-3.2,f=-0.36) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 140:sc= -2.57 USER MOD Single : A 74 HIS : no HD1:sc= -21.9! C(o=-22!,f=-23!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -21.8! C(o=-22!,f=-21!) USER MOD Single : A 101 ASN : amide:sc=-0.00212 X(o=-0.0021,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -117:sc= 0.695 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -19.395 19.318 24.066 1.00 0.00 N ATOM 54 CA LEU A 5 -19.241 18.168 23.192 1.00 0.00 C ATOM 55 C LEU A 5 -19.608 16.896 23.959 1.00 0.00 C ATOM 56 O LEU A 5 -19.328 15.789 23.502 1.00 0.00 O ATOM 57 CB LEU A 5 -17.835 18.138 22.589 1.00 0.00 C ATOM 58 CG LEU A 5 -17.118 19.486 22.490 1.00 0.00 C ATOM 59 CD1 LEU A 5 -15.824 19.481 23.305 1.00 0.00 C ATOM 60 CD2 LEU A 5 -16.874 19.871 21.029 1.00 0.00 C ATOM 0 HA LEU A 5 -19.925 18.239 22.346 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.220 17.465 23.186 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.899 17.709 21.589 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.766 20.249 22.921 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.335 20.451 23.217 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.054 19.284 24.352 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.159 18.704 22.928 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.363 20.833 20.987 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.256 19.111 20.551 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.828 19.944 20.508 1.00 0.00 H new ATOM 72 N VAL A 6 -20.230 17.098 25.111 1.00 0.00 N ATOM 73 CA VAL A 6 -20.639 15.981 25.946 1.00 0.00 C ATOM 74 C VAL A 6 -22.132 15.716 25.741 1.00 0.00 C ATOM 75 O VAL A 6 -22.589 14.583 25.880 1.00 0.00 O ATOM 76 CB VAL A 6 -20.276 16.259 27.406 1.00 0.00 C ATOM 77 CG1 VAL A 6 -20.972 15.269 28.342 1.00 0.00 C ATOM 78 CG2 VAL A 6 -18.760 16.233 27.609 1.00 0.00 C ATOM 0 H VAL A 6 -20.461 18.018 25.486 1.00 0.00 H new ATOM 0 HA VAL A 6 -20.106 15.075 25.659 1.00 0.00 H new ATOM 0 HB VAL A 6 -20.630 17.260 27.654 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -20.697 15.489 29.374 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -22.052 15.358 28.228 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -20.663 14.254 28.093 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -18.530 16.434 28.655 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -18.373 15.252 27.334 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -18.296 16.995 26.983 1.00 0.00 H new ATOM 88 N LYS A 7 -22.849 16.781 25.414 1.00 0.00 N ATOM 89 CA LYS A 7 -24.281 16.677 25.188 1.00 0.00 C ATOM 90 C LYS A 7 -24.533 15.987 23.846 1.00 0.00 C ATOM 91 O LYS A 7 -25.586 16.172 23.237 1.00 0.00 O ATOM 92 CB LYS A 7 -24.943 18.052 25.307 1.00 0.00 C ATOM 93 CG LYS A 7 -25.802 18.139 26.570 1.00 0.00 C ATOM 94 CD LYS A 7 -24.928 18.257 27.820 1.00 0.00 C ATOM 95 CE LYS A 7 -24.520 19.711 28.069 1.00 0.00 C ATOM 96 NZ LYS A 7 -23.162 19.775 28.653 1.00 0.00 N ATOM 0 H LYS A 7 -22.466 17.719 25.300 1.00 0.00 H new ATOM 0 HA LYS A 7 -24.744 16.058 25.956 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.177 18.828 25.329 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.561 18.239 24.429 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.466 19.001 26.504 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.434 17.254 26.646 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -25.470 17.875 28.685 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -24.037 17.640 27.704 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -24.546 20.268 27.132 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -25.234 20.185 28.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -22.901 20.768 28.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.148 19.261 29.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -22.481 19.341 27.997 1.00 0.00 H new ATOM 110 N GLY A 8 -23.549 15.207 23.424 1.00 0.00 N ATOM 111 CA GLY A 8 -23.650 14.488 22.165 1.00 0.00 C ATOM 112 C GLY A 8 -22.270 14.049 21.671 1.00 0.00 C ATOM 113 O GLY A 8 -21.741 14.614 20.715 1.00 0.00 O ATOM 0 H GLY A 8 -22.677 15.057 23.932 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -24.290 13.614 22.291 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -24.123 15.124 21.416 1.00 0.00 H new ATOM 117 N PRO A 9 -21.713 13.020 22.364 1.00 0.00 N ATOM 118 CA PRO A 9 -20.405 12.499 22.005 1.00 0.00 C ATOM 119 C PRO A 9 -20.482 11.649 20.736 1.00 0.00 C ATOM 120 O PRO A 9 -21.194 10.647 20.698 1.00 0.00 O ATOM 121 CB PRO A 9 -19.949 11.710 23.222 1.00 0.00 C ATOM 122 CG PRO A 9 -21.204 11.430 24.032 1.00 0.00 C ATOM 123 CD PRO A 9 -22.311 12.328 23.502 1.00 0.00 C ATOM 0 HA PRO A 9 -19.690 13.286 21.766 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.461 10.782 22.925 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.225 12.278 23.807 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -21.489 10.381 23.945 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -21.027 11.626 25.090 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -23.182 11.747 23.199 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -22.647 13.033 24.262 1.00 0.00 H new ATOM 131 N TRP A 10 -19.739 12.080 19.727 1.00 0.00 N ATOM 132 CA TRP A 10 -19.715 11.371 18.459 1.00 0.00 C ATOM 133 C TRP A 10 -18.820 10.141 18.623 1.00 0.00 C ATOM 134 O TRP A 10 -18.197 9.956 19.667 1.00 0.00 O ATOM 135 CB TRP A 10 -19.263 12.292 17.324 1.00 0.00 C ATOM 136 CG TRP A 10 -20.147 13.527 17.136 1.00 0.00 C ATOM 137 CD1 TRP A 10 -20.586 14.378 18.073 1.00 0.00 C ATOM 138 CD2 TRP A 10 -20.684 14.017 15.889 1.00 0.00 C ATOM 139 NE1 TRP A 10 -21.364 15.377 17.524 1.00 0.00 N ATOM 140 CE2 TRP A 10 -21.426 15.150 16.154 1.00 0.00 C ATOM 141 CE3 TRP A 10 -20.548 13.520 14.581 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -22.089 15.882 15.162 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -21.218 14.262 13.601 1.00 0.00 C ATOM 144 CH2 TRP A 10 -21.968 15.405 13.851 1.00 0.00 C ATOM 0 H TRP A 10 -19.149 12.911 19.762 1.00 0.00 H new ATOM 0 HA TRP A 10 -20.716 11.040 18.183 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -18.240 12.616 17.518 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -19.247 11.724 16.394 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -20.360 14.293 19.126 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -21.811 16.141 18.030 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -19.972 12.636 14.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -22.663 16.767 15.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -21.147 13.922 12.578 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -22.455 15.923 13.038 1.00 0.00 H new ATOM 155 N THR A 11 -18.784 9.331 17.574 1.00 0.00 N ATOM 156 CA THR A 11 -17.975 8.124 17.588 1.00 0.00 C ATOM 157 C THR A 11 -17.544 7.754 16.168 1.00 0.00 C ATOM 158 O THR A 11 -17.608 8.582 15.260 1.00 0.00 O ATOM 159 CB THR A 11 -18.779 7.025 18.285 1.00 0.00 C ATOM 160 OG1 THR A 11 -19.802 6.696 17.350 1.00 0.00 O ATOM 161 CG2 THR A 11 -19.543 7.542 19.506 1.00 0.00 C ATOM 0 H THR A 11 -19.302 9.487 16.709 1.00 0.00 H new ATOM 0 HA THR A 11 -17.050 8.274 18.145 1.00 0.00 H new ATOM 0 HB THR A 11 -18.107 6.223 18.590 1.00 0.00 H new ATOM 0 HG1 THR A 11 -20.369 5.989 17.721 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.097 6.722 19.963 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.838 7.952 20.230 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.239 8.321 19.196 1.00 0.00 H new ATOM 169 N LYS A 12 -17.116 6.509 16.019 1.00 0.00 N ATOM 170 CA LYS A 12 -16.675 6.019 14.724 1.00 0.00 C ATOM 171 C LYS A 12 -17.853 6.036 13.749 1.00 0.00 C ATOM 172 O LYS A 12 -17.743 6.572 12.647 1.00 0.00 O ATOM 173 CB LYS A 12 -16.015 4.646 14.868 1.00 0.00 C ATOM 174 CG LYS A 12 -15.766 4.011 13.498 1.00 0.00 C ATOM 175 CD LYS A 12 -16.383 2.613 13.421 1.00 0.00 C ATOM 176 CE LYS A 12 -16.086 1.957 12.071 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.000 0.486 12.217 1.00 0.00 N ATOM 0 H LYS A 12 -17.065 5.825 16.774 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.909 6.674 14.309 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.071 4.747 15.403 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.652 3.993 15.465 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.190 4.643 12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.694 3.950 13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.988 1.993 14.226 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.461 2.679 13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.868 2.212 11.356 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.149 2.344 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.798 0.057 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.238 0.247 12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.904 0.120 12.579 1.00 0.00 H new ATOM 191 N GLU A 13 -18.953 5.444 14.189 1.00 0.00 N ATOM 192 CA GLU A 13 -20.151 5.385 13.369 1.00 0.00 C ATOM 193 C GLU A 13 -20.373 6.721 12.656 1.00 0.00 C ATOM 194 O GLU A 13 -20.788 6.750 11.499 1.00 0.00 O ATOM 195 CB GLU A 13 -21.372 5.002 14.207 1.00 0.00 C ATOM 196 CG GLU A 13 -22.625 5.730 13.717 1.00 0.00 C ATOM 197 CD GLU A 13 -23.886 4.921 14.026 1.00 0.00 C ATOM 198 OE1 GLU A 13 -24.417 5.102 15.143 1.00 0.00 O ATOM 199 OE2 GLU A 13 -24.290 4.139 13.138 1.00 0.00 O ATOM 0 H GLU A 13 -19.040 5.001 15.103 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.012 4.611 12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -21.530 3.925 14.155 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -21.191 5.247 15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -22.691 6.708 14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -22.553 5.902 12.643 1.00 0.00 H new ATOM 206 N GLU A 14 -20.087 7.795 13.378 1.00 0.00 N ATOM 207 CA GLU A 14 -20.250 9.130 12.829 1.00 0.00 C ATOM 208 C GLU A 14 -19.150 9.422 11.807 1.00 0.00 C ATOM 209 O GLU A 14 -19.435 9.839 10.685 1.00 0.00 O ATOM 210 CB GLU A 14 -20.258 10.182 13.940 1.00 0.00 C ATOM 211 CG GLU A 14 -21.681 10.667 14.225 1.00 0.00 C ATOM 212 CD GLU A 14 -22.177 11.595 13.114 1.00 0.00 C ATOM 213 OE1 GLU A 14 -21.715 11.405 11.968 1.00 0.00 O ATOM 214 OE2 GLU A 14 -23.006 12.473 13.436 1.00 0.00 O ATOM 0 H GLU A 14 -19.744 7.767 14.338 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.213 9.177 12.321 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.825 9.761 14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.633 11.027 13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.350 9.811 14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.706 11.192 15.180 1.00 0.00 H new ATOM 221 N ASP A 15 -17.916 9.190 12.230 1.00 0.00 N ATOM 222 CA ASP A 15 -16.772 9.423 11.365 1.00 0.00 C ATOM 223 C ASP A 15 -16.896 8.547 10.116 1.00 0.00 C ATOM 224 O ASP A 15 -16.937 9.056 8.998 1.00 0.00 O ATOM 225 CB ASP A 15 -15.465 9.058 12.070 1.00 0.00 C ATOM 226 CG ASP A 15 -14.928 10.124 13.028 1.00 0.00 C ATOM 227 OD1 ASP A 15 -15.720 11.028 13.373 1.00 0.00 O ATOM 228 OD2 ASP A 15 -13.739 10.010 13.395 1.00 0.00 O ATOM 0 H ASP A 15 -17.683 8.843 13.161 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.757 10.481 11.103 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.616 8.133 12.627 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.706 8.855 11.314 1.00 0.00 H new ATOM 233 N GLN A 16 -16.951 7.244 10.350 1.00 0.00 N ATOM 234 CA GLN A 16 -17.069 6.292 9.259 1.00 0.00 C ATOM 235 C GLN A 16 -18.068 6.800 8.217 1.00 0.00 C ATOM 236 O GLN A 16 -17.869 6.613 7.018 1.00 0.00 O ATOM 237 CB GLN A 16 -17.473 4.910 9.777 1.00 0.00 C ATOM 238 CG GLN A 16 -18.622 5.016 10.782 1.00 0.00 C ATOM 239 CD GLN A 16 -19.839 4.217 10.309 1.00 0.00 C ATOM 240 OE1 GLN A 16 -20.640 4.673 9.510 1.00 0.00 O ATOM 241 NE2 GLN A 16 -19.931 3.004 10.846 1.00 0.00 N ATOM 0 H GLN A 16 -16.916 6.825 11.279 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.094 6.194 8.782 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -17.773 4.278 8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.616 4.429 10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.295 4.647 11.754 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.898 6.062 10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.225 2.685 11.509 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.708 2.393 10.595 1.00 0.00 H new ATOM 250 N LYS A 17 -19.121 7.433 8.713 1.00 0.00 N ATOM 251 CA LYS A 17 -20.152 7.969 7.840 1.00 0.00 C ATOM 252 C LYS A 17 -19.506 8.885 6.799 1.00 0.00 C ATOM 253 O LYS A 17 -19.775 8.761 5.605 1.00 0.00 O ATOM 254 CB LYS A 17 -21.249 8.649 8.661 1.00 0.00 C ATOM 255 CG LYS A 17 -22.600 8.562 7.949 1.00 0.00 C ATOM 256 CD LYS A 17 -23.523 9.703 8.383 1.00 0.00 C ATOM 257 CE LYS A 17 -24.897 9.170 8.795 1.00 0.00 C ATOM 258 NZ LYS A 17 -25.788 9.070 7.618 1.00 0.00 N ATOM 0 H LYS A 17 -19.283 7.587 9.708 1.00 0.00 H new ATOM 0 HA LYS A 17 -20.646 7.165 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -21.320 8.178 9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -20.988 9.694 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -22.450 8.601 6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -23.071 7.604 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -23.073 10.242 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -23.635 10.416 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -24.789 8.191 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -25.341 9.830 9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -26.716 8.707 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -25.905 10.011 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -25.370 8.422 6.920 1.00 0.00 H new ATOM 272 N VAL A 18 -18.665 9.785 7.289 1.00 0.00 N ATOM 273 CA VAL A 18 -17.979 10.721 6.416 1.00 0.00 C ATOM 274 C VAL A 18 -17.219 9.945 5.338 1.00 0.00 C ATOM 275 O VAL A 18 -17.311 10.267 4.155 1.00 0.00 O ATOM 276 CB VAL A 18 -17.074 11.639 7.241 1.00 0.00 C ATOM 277 CG1 VAL A 18 -15.887 12.131 6.409 1.00 0.00 C ATOM 278 CG2 VAL A 18 -17.864 12.815 7.817 1.00 0.00 C ATOM 0 H VAL A 18 -18.444 9.885 8.280 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.697 11.365 5.908 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.681 11.059 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.260 12.781 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.302 11.277 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.253 12.686 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -17.197 13.451 8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.300 13.394 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.659 12.439 8.461 1.00 0.00 H new ATOM 288 N ILE A 19 -16.487 8.936 5.786 1.00 0.00 N ATOM 289 CA ILE A 19 -15.713 8.110 4.875 1.00 0.00 C ATOM 290 C ILE A 19 -16.656 7.441 3.873 1.00 0.00 C ATOM 291 O ILE A 19 -16.306 7.268 2.706 1.00 0.00 O ATOM 292 CB ILE A 19 -14.842 7.122 5.655 1.00 0.00 C ATOM 293 CG1 ILE A 19 -13.631 7.826 6.269 1.00 0.00 C ATOM 294 CG2 ILE A 19 -14.434 5.939 4.775 1.00 0.00 C ATOM 295 CD1 ILE A 19 -13.981 9.253 6.692 1.00 0.00 C ATOM 0 H ILE A 19 -16.413 8.672 6.768 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.020 8.724 4.300 1.00 0.00 H new ATOM 0 HB ILE A 19 -15.432 6.721 6.479 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.279 7.263 7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.814 7.847 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.816 5.252 5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -15.327 5.419 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.868 6.302 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.102 9.730 7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.310 9.820 5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.781 9.227 7.432 1.00 0.00 H new ATOM 307 N GLU A 20 -17.833 7.084 4.365 1.00 0.00 N ATOM 308 CA GLU A 20 -18.829 6.438 3.527 1.00 0.00 C ATOM 309 C GLU A 20 -19.571 7.478 2.687 1.00 0.00 C ATOM 310 O GLU A 20 -20.162 7.146 1.660 1.00 0.00 O ATOM 311 CB GLU A 20 -19.805 5.616 4.371 1.00 0.00 C ATOM 312 CG GLU A 20 -20.480 4.532 3.528 1.00 0.00 C ATOM 313 CD GLU A 20 -21.138 3.476 4.418 1.00 0.00 C ATOM 314 OE1 GLU A 20 -21.773 3.888 5.413 1.00 0.00 O ATOM 315 OE2 GLU A 20 -20.992 2.280 4.084 1.00 0.00 O ATOM 0 H GLU A 20 -18.119 7.230 5.333 1.00 0.00 H new ATOM 0 HA GLU A 20 -18.318 5.752 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -19.273 5.156 5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -20.562 6.272 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.230 4.985 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.743 4.058 2.880 1.00 0.00 H new ATOM 322 N LEU A 21 -19.517 8.717 3.153 1.00 0.00 N ATOM 323 CA LEU A 21 -20.177 9.809 2.458 1.00 0.00 C ATOM 324 C LEU A 21 -19.326 10.233 1.259 1.00 0.00 C ATOM 325 O LEU A 21 -19.846 10.431 0.163 1.00 0.00 O ATOM 326 CB LEU A 21 -20.488 10.951 3.426 1.00 0.00 C ATOM 327 CG LEU A 21 -21.855 10.897 4.111 1.00 0.00 C ATOM 328 CD1 LEU A 21 -21.751 11.319 5.578 1.00 0.00 C ATOM 329 CD2 LEU A 21 -22.885 11.730 3.347 1.00 0.00 C ATOM 0 H LEU A 21 -19.026 8.989 4.004 1.00 0.00 H new ATOM 0 HA LEU A 21 -21.141 9.484 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -19.718 10.967 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -20.414 11.892 2.882 1.00 0.00 H new ATOM 0 HG LEU A 21 -22.203 9.864 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -22.737 11.272 6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -21.071 10.648 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -21.371 12.339 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -23.848 11.674 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -22.556 12.768 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -22.987 11.342 2.333 1.00 0.00 H new ATOM 341 N VAL A 22 -18.031 10.360 1.509 1.00 0.00 N ATOM 342 CA VAL A 22 -17.102 10.757 0.465 1.00 0.00 C ATOM 343 C VAL A 22 -16.996 9.636 -0.571 1.00 0.00 C ATOM 344 O VAL A 22 -16.716 9.891 -1.741 1.00 0.00 O ATOM 345 CB VAL A 22 -15.753 11.133 1.079 1.00 0.00 C ATOM 346 CG1 VAL A 22 -14.817 11.728 0.025 1.00 0.00 C ATOM 347 CG2 VAL A 22 -15.934 12.093 2.256 1.00 0.00 C ATOM 0 H VAL A 22 -17.603 10.195 2.420 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.466 11.644 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.293 10.221 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.865 11.987 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.649 10.997 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.270 12.624 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.959 12.344 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.426 13.002 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.546 11.618 3.023 1.00 0.00 H new ATOM 357 N LYS A 23 -17.226 8.418 -0.103 1.00 0.00 N ATOM 358 CA LYS A 23 -17.160 7.257 -0.973 1.00 0.00 C ATOM 359 C LYS A 23 -18.362 7.266 -1.921 1.00 0.00 C ATOM 360 O LYS A 23 -18.245 6.873 -3.080 1.00 0.00 O ATOM 361 CB LYS A 23 -17.038 5.974 -0.148 1.00 0.00 C ATOM 362 CG LYS A 23 -18.381 5.246 -0.063 1.00 0.00 C ATOM 363 CD LYS A 23 -18.645 4.433 -1.331 1.00 0.00 C ATOM 364 CE LYS A 23 -20.143 4.365 -1.637 1.00 0.00 C ATOM 365 NZ LYS A 23 -20.375 3.741 -2.959 1.00 0.00 N ATOM 0 H LYS A 23 -17.458 8.210 0.868 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.264 7.297 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.293 5.318 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.687 6.215 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.387 4.586 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.183 5.970 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.118 4.884 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.249 3.425 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.652 3.791 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.569 5.368 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.397 3.703 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.905 4.305 -3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.986 2.776 -2.961 1.00 0.00 H new ATOM 379 N LYS A 24 -19.489 7.718 -1.391 1.00 0.00 N ATOM 380 CA LYS A 24 -20.710 7.784 -2.175 1.00 0.00 C ATOM 381 C LYS A 24 -20.727 9.087 -2.977 1.00 0.00 C ATOM 382 O LYS A 24 -21.348 9.159 -4.036 1.00 0.00 O ATOM 383 CB LYS A 24 -21.934 7.599 -1.276 1.00 0.00 C ATOM 384 CG LYS A 24 -23.111 7.020 -2.064 1.00 0.00 C ATOM 385 CD LYS A 24 -24.289 7.996 -2.087 1.00 0.00 C ATOM 386 CE LYS A 24 -23.977 9.211 -2.962 1.00 0.00 C ATOM 387 NZ LYS A 24 -23.861 8.811 -4.382 1.00 0.00 N ATOM 0 H LYS A 24 -19.582 8.042 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 24 -20.745 6.966 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.685 6.935 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -22.219 8.557 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -22.797 6.800 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -23.424 6.077 -1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -25.178 7.490 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -24.515 8.323 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.763 9.958 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -23.048 9.675 -2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -24.264 9.555 -4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -22.859 8.674 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -24.379 7.922 -4.536 1.00 0.00 H new ATOM 401 N TYR A 25 -20.039 10.083 -2.441 1.00 0.00 N ATOM 402 CA TYR A 25 -19.967 11.380 -3.093 1.00 0.00 C ATOM 403 C TYR A 25 -18.859 11.402 -4.149 1.00 0.00 C ATOM 404 O TYR A 25 -19.118 11.679 -5.319 1.00 0.00 O ATOM 405 CB TYR A 25 -19.626 12.387 -1.993 1.00 0.00 C ATOM 406 CG TYR A 25 -20.832 12.835 -1.164 1.00 0.00 C ATOM 407 CD1 TYR A 25 -21.866 11.954 -0.918 1.00 0.00 C ATOM 408 CD2 TYR A 25 -20.886 14.120 -0.663 1.00 0.00 C ATOM 409 CE1 TYR A 25 -23.001 12.375 -0.138 1.00 0.00 C ATOM 410 CE2 TYR A 25 -22.021 14.541 0.116 1.00 0.00 C ATOM 411 CZ TYR A 25 -23.022 13.648 0.340 1.00 0.00 C ATOM 412 OH TYR A 25 -24.094 14.046 1.077 1.00 0.00 O ATOM 0 H TYR A 25 -19.526 10.019 -1.562 1.00 0.00 H new ATOM 0 HA TYR A 25 -20.907 11.610 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.884 11.945 -1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.165 13.264 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -21.824 10.949 -1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -20.077 14.809 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -23.816 11.696 0.063 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -22.076 15.544 0.514 1.00 0.00 H new ATOM 0 HH TYR A 25 -23.973 14.978 1.353 1.00 0.00 H new ATOM 422 N GLY A 26 -17.650 11.106 -3.697 1.00 0.00 N ATOM 423 CA GLY A 26 -16.502 11.088 -4.588 1.00 0.00 C ATOM 424 C GLY A 26 -16.696 12.063 -5.751 1.00 0.00 C ATOM 425 O GLY A 26 -17.352 11.734 -6.739 1.00 0.00 O ATOM 0 H GLY A 26 -17.440 10.877 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.602 11.353 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.353 10.080 -4.975 1.00 0.00 H new ATOM 429 N THR A 27 -16.113 13.243 -5.596 1.00 0.00 N ATOM 430 CA THR A 27 -16.214 14.267 -6.621 1.00 0.00 C ATOM 431 C THR A 27 -15.415 15.508 -6.215 1.00 0.00 C ATOM 432 O THR A 27 -14.474 15.897 -6.905 1.00 0.00 O ATOM 433 CB THR A 27 -17.698 14.552 -6.862 1.00 0.00 C ATOM 434 OG1 THR A 27 -17.707 15.813 -7.525 1.00 0.00 O ATOM 435 CG2 THR A 27 -18.463 14.809 -5.562 1.00 0.00 C ATOM 0 H THR A 27 -15.569 13.512 -4.776 1.00 0.00 H new ATOM 0 HA THR A 27 -15.777 13.930 -7.561 1.00 0.00 H new ATOM 0 HB THR A 27 -18.148 13.710 -7.388 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.631 16.073 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.511 15.006 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.390 13.933 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 27 -18.034 15.672 -5.052 1.00 0.00 H new ATOM 443 N LYS A 28 -15.821 16.094 -5.098 1.00 0.00 N ATOM 444 CA LYS A 28 -15.155 17.282 -4.592 1.00 0.00 C ATOM 445 C LYS A 28 -15.939 17.832 -3.400 1.00 0.00 C ATOM 446 O LYS A 28 -16.091 19.045 -3.258 1.00 0.00 O ATOM 447 CB LYS A 28 -14.949 18.300 -5.716 1.00 0.00 C ATOM 448 CG LYS A 28 -13.488 18.749 -5.788 1.00 0.00 C ATOM 449 CD LYS A 28 -13.389 20.263 -5.988 1.00 0.00 C ATOM 450 CE LYS A 28 -13.341 20.992 -4.643 1.00 0.00 C ATOM 451 NZ LYS A 28 -11.972 21.482 -4.368 1.00 0.00 N ATOM 0 H LYS A 28 -16.603 15.768 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.157 17.035 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.245 17.861 -6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.591 19.165 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.971 18.465 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.986 18.237 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.496 20.499 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.244 20.614 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.039 21.830 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.660 20.320 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.957 21.974 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.314 20.677 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.681 22.140 -5.119 1.00 0.00 H new ATOM 465 N GLN A 29 -16.418 16.914 -2.573 1.00 0.00 N ATOM 466 CA GLN A 29 -17.183 17.293 -1.397 1.00 0.00 C ATOM 467 C GLN A 29 -16.372 17.027 -0.127 1.00 0.00 C ATOM 468 O GLN A 29 -16.375 15.912 0.394 1.00 0.00 O ATOM 469 CB GLN A 29 -18.524 16.557 -1.355 1.00 0.00 C ATOM 470 CG GLN A 29 -19.623 17.382 -2.028 1.00 0.00 C ATOM 471 CD GLN A 29 -20.431 16.525 -3.004 1.00 0.00 C ATOM 472 OE1 GLN A 29 -20.104 16.394 -4.172 1.00 0.00 O ATOM 473 NE2 GLN A 29 -21.502 15.952 -2.463 1.00 0.00 N ATOM 0 H GLN A 29 -16.291 15.909 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.393 18.361 -1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -18.430 15.593 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.799 16.353 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.286 17.799 -1.270 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.178 18.223 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.718 16.103 -1.478 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -22.107 15.361 -3.033 1.00 0.00 H new ATOM 482 N TRP A 30 -15.696 18.069 0.334 1.00 0.00 N ATOM 483 CA TRP A 30 -14.882 17.962 1.533 1.00 0.00 C ATOM 484 C TRP A 30 -15.602 18.702 2.661 1.00 0.00 C ATOM 485 O TRP A 30 -15.150 18.688 3.805 1.00 0.00 O ATOM 486 CB TRP A 30 -13.466 18.485 1.283 1.00 0.00 C ATOM 487 CG TRP A 30 -12.478 17.412 0.822 1.00 0.00 C ATOM 488 CD1 TRP A 30 -11.894 17.288 -0.377 1.00 0.00 C ATOM 489 CD2 TRP A 30 -11.979 16.309 1.608 1.00 0.00 C ATOM 490 NE1 TRP A 30 -11.058 16.191 -0.422 1.00 0.00 N ATOM 491 CE2 TRP A 30 -11.111 15.576 0.824 1.00 0.00 C ATOM 492 CE3 TRP A 30 -12.251 15.942 2.938 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -10.446 14.432 1.279 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -11.578 14.797 3.378 1.00 0.00 C ATOM 495 CH2 TRP A 30 -10.702 14.048 2.601 1.00 0.00 C ATOM 0 H TRP A 30 -15.695 18.992 -0.101 1.00 0.00 H new ATOM 0 HA TRP A 30 -14.760 16.919 1.824 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -13.508 19.272 0.531 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -13.091 18.940 2.200 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -12.057 17.962 -1.205 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -10.503 15.887 -1.222 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -12.926 16.500 3.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -9.772 13.875 0.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -11.751 14.472 4.393 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -10.221 13.174 3.015 1.00 0.00 H new ATOM 506 N THR A 31 -16.711 19.330 2.300 1.00 0.00 N ATOM 507 CA THR A 31 -17.499 20.075 3.268 1.00 0.00 C ATOM 508 C THR A 31 -18.338 19.121 4.120 1.00 0.00 C ATOM 509 O THR A 31 -18.450 19.299 5.332 1.00 0.00 O ATOM 510 CB THR A 31 -18.335 21.104 2.506 1.00 0.00 C ATOM 511 OG1 THR A 31 -18.045 22.338 3.157 1.00 0.00 O ATOM 512 CG2 THR A 31 -19.838 20.913 2.721 1.00 0.00 C ATOM 0 H THR A 31 -17.083 19.339 1.350 1.00 0.00 H new ATOM 0 HA THR A 31 -16.860 20.610 3.970 1.00 0.00 H new ATOM 0 HB THR A 31 -18.110 21.038 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.545 23.061 2.725 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.385 21.669 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 31 -20.132 19.921 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 31 -20.069 21.012 3.782 1.00 0.00 H new ATOM 520 N LEU A 32 -18.907 18.127 3.452 1.00 0.00 N ATOM 521 CA LEU A 32 -19.733 17.144 4.133 1.00 0.00 C ATOM 522 C LEU A 32 -18.950 16.551 5.305 1.00 0.00 C ATOM 523 O LEU A 32 -19.456 16.486 6.425 1.00 0.00 O ATOM 524 CB LEU A 32 -20.245 16.097 3.142 1.00 0.00 C ATOM 525 CG LEU A 32 -19.560 14.730 3.198 1.00 0.00 C ATOM 526 CD1 LEU A 32 -20.081 13.903 4.374 1.00 0.00 C ATOM 527 CD2 LEU A 32 -19.706 13.989 1.867 1.00 0.00 C ATOM 0 H LEU A 32 -18.812 17.982 2.447 1.00 0.00 H new ATOM 0 HA LEU A 32 -20.622 17.616 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -21.312 15.954 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -20.135 16.496 2.133 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.494 14.889 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -19.578 12.936 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.883 14.431 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -21.155 13.751 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.210 13.020 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -20.763 13.841 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.248 14.577 1.071 1.00 0.00 H new ATOM 539 N ILE A 33 -17.728 16.133 5.009 1.00 0.00 N ATOM 540 CA ILE A 33 -16.870 15.547 6.025 1.00 0.00 C ATOM 541 C ILE A 33 -16.993 16.356 7.318 1.00 0.00 C ATOM 542 O ILE A 33 -17.139 15.786 8.399 1.00 0.00 O ATOM 543 CB ILE A 33 -15.435 15.426 5.509 1.00 0.00 C ATOM 544 CG1 ILE A 33 -15.348 14.421 4.360 1.00 0.00 C ATOM 545 CG2 ILE A 33 -14.471 15.081 6.647 1.00 0.00 C ATOM 546 CD1 ILE A 33 -15.715 15.077 3.028 1.00 0.00 C ATOM 0 H ILE A 33 -17.311 16.189 4.080 1.00 0.00 H new ATOM 0 HA ILE A 33 -17.189 14.530 6.253 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.132 16.395 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.338 14.015 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.018 13.583 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.458 15.001 6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -14.506 15.865 7.403 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -14.762 14.131 7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -15.645 14.340 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -16.734 15.460 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.028 15.899 2.826 1.00 0.00 H new ATOM 558 N ALA A 34 -16.929 17.670 7.165 1.00 0.00 N ATOM 559 CA ALA A 34 -17.032 18.563 8.307 1.00 0.00 C ATOM 560 C ALA A 34 -18.507 18.838 8.603 1.00 0.00 C ATOM 561 O ALA A 34 -18.865 19.181 9.729 1.00 0.00 O ATOM 562 CB ALA A 34 -16.244 19.844 8.026 1.00 0.00 C ATOM 0 H ALA A 34 -16.807 18.138 6.267 1.00 0.00 H new ATOM 0 HA ALA A 34 -16.599 18.102 9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -16.321 20.514 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -15.197 19.596 7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.652 20.336 7.143 1.00 0.00 H new ATOM 568 N LYS A 35 -19.325 18.678 7.572 1.00 0.00 N ATOM 569 CA LYS A 35 -20.753 18.905 7.708 1.00 0.00 C ATOM 570 C LYS A 35 -21.388 17.716 8.432 1.00 0.00 C ATOM 571 O LYS A 35 -22.248 17.896 9.293 1.00 0.00 O ATOM 572 CB LYS A 35 -21.381 19.200 6.344 1.00 0.00 C ATOM 573 CG LYS A 35 -22.460 20.278 6.458 1.00 0.00 C ATOM 574 CD LYS A 35 -23.857 19.677 6.292 1.00 0.00 C ATOM 575 CE LYS A 35 -24.329 19.779 4.841 1.00 0.00 C ATOM 576 NZ LYS A 35 -24.049 18.521 4.114 1.00 0.00 N ATOM 0 H LYS A 35 -19.025 18.394 6.639 1.00 0.00 H new ATOM 0 HA LYS A 35 -20.941 19.788 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.609 19.526 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -21.815 18.288 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -22.385 20.771 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -22.297 21.042 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -23.846 18.632 6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -24.560 20.196 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -25.398 19.991 4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -23.827 20.611 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.376 18.608 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.026 18.335 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.548 17.734 4.576 1.00 0.00 H new ATOM 590 N HIS A 36 -20.939 16.527 8.057 1.00 0.00 N ATOM 591 CA HIS A 36 -21.452 15.309 8.660 1.00 0.00 C ATOM 592 C HIS A 36 -20.688 15.015 9.953 1.00 0.00 C ATOM 593 O HIS A 36 -20.817 13.932 10.522 1.00 0.00 O ATOM 594 CB HIS A 36 -21.404 14.148 7.665 1.00 0.00 C ATOM 595 CG HIS A 36 -22.307 14.327 6.468 1.00 0.00 C ATOM 596 ND1 HIS A 36 -22.248 15.212 5.432 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -23.422 13.538 6.246 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -23.271 14.976 4.620 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -24.000 13.938 5.123 1.00 0.00 N flip ATOM 0 H HIS A 36 -20.225 16.381 7.343 1.00 0.00 H new ATOM 0 HA HIS A 36 -22.502 15.443 8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -20.378 14.023 7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -21.680 13.229 8.181 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -23.763 12.733 6.880 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -23.490 15.516 3.711 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -24.842 13.540 4.707 1.00 0.00 H new ATOM 607 N LEU A 37 -19.907 15.997 10.378 1.00 0.00 N ATOM 608 CA LEU A 37 -19.122 15.858 11.592 1.00 0.00 C ATOM 609 C LEU A 37 -18.815 17.245 12.159 1.00 0.00 C ATOM 610 O LEU A 37 -17.953 17.954 11.642 1.00 0.00 O ATOM 611 CB LEU A 37 -17.875 15.011 11.329 1.00 0.00 C ATOM 612 CG LEU A 37 -18.124 13.572 10.873 1.00 0.00 C ATOM 613 CD1 LEU A 37 -16.814 12.886 10.481 1.00 0.00 C ATOM 614 CD2 LEU A 37 -18.887 12.784 11.940 1.00 0.00 C ATOM 0 H LEU A 37 -19.801 16.893 9.902 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.689 15.322 12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.273 15.512 10.571 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.280 14.984 12.242 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.751 13.599 9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.020 11.865 10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.346 13.435 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -16.141 12.869 11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.051 11.764 11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.306 12.763 12.862 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -19.848 13.262 12.128 1.00 0.00 H new ATOM 626 N LYS A 38 -19.539 17.592 13.213 1.00 0.00 N ATOM 627 CA LYS A 38 -19.355 18.882 13.856 1.00 0.00 C ATOM 628 C LYS A 38 -18.496 18.705 15.110 1.00 0.00 C ATOM 629 O LYS A 38 -17.759 17.727 15.229 1.00 0.00 O ATOM 630 CB LYS A 38 -20.707 19.544 14.125 1.00 0.00 C ATOM 631 CG LYS A 38 -21.642 19.391 12.923 1.00 0.00 C ATOM 632 CD LYS A 38 -21.124 20.185 11.722 1.00 0.00 C ATOM 633 CE LYS A 38 -21.945 21.459 11.512 1.00 0.00 C ATOM 634 NZ LYS A 38 -21.353 22.587 12.266 1.00 0.00 N ATOM 0 H LYS A 38 -20.254 17.002 13.638 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.818 19.563 13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.166 19.096 15.006 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.561 20.602 14.344 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.729 18.338 12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.641 19.736 13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.077 20.444 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.170 19.567 10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.983 21.703 10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.972 21.295 11.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.922 23.444 12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.339 22.357 13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.381 22.753 11.936 1.00 0.00 H new ATOM 648 N GLY A 39 -18.620 19.666 16.014 1.00 0.00 N ATOM 649 CA GLY A 39 -17.864 19.628 17.254 1.00 0.00 C ATOM 650 C GLY A 39 -16.399 19.996 17.015 1.00 0.00 C ATOM 651 O GLY A 39 -15.865 20.890 17.669 1.00 0.00 O ATOM 0 H GLY A 39 -19.233 20.475 15.912 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -18.303 20.319 17.973 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.926 18.631 17.691 1.00 0.00 H new ATOM 655 N ARG A 40 -15.790 19.287 16.075 1.00 0.00 N ATOM 656 CA ARG A 40 -14.396 19.528 15.741 1.00 0.00 C ATOM 657 C ARG A 40 -14.216 19.584 14.223 1.00 0.00 C ATOM 658 O ARG A 40 -15.181 19.437 13.474 1.00 0.00 O ATOM 659 CB ARG A 40 -13.496 18.432 16.315 1.00 0.00 C ATOM 660 CG ARG A 40 -12.520 19.007 17.343 1.00 0.00 C ATOM 661 CD ARG A 40 -11.095 18.510 17.085 1.00 0.00 C ATOM 662 NE ARG A 40 -10.675 17.592 18.167 1.00 0.00 N ATOM 663 CZ ARG A 40 -9.491 16.966 18.203 1.00 0.00 C ATOM 664 NH1 ARG A 40 -8.603 17.154 17.218 1.00 0.00 N ATOM 665 NH2 ARG A 40 -9.195 16.151 19.225 1.00 0.00 N ATOM 0 H ARG A 40 -16.236 18.546 15.534 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.110 20.484 16.179 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.109 17.661 16.782 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.940 17.953 15.509 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.542 20.096 17.301 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.833 18.720 18.347 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.048 17.998 16.124 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.410 19.356 17.029 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.328 17.425 18.933 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.828 17.774 16.440 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.702 16.677 17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.871 16.007 19.975 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.294 15.674 19.253 1.00 0.00 H new ATOM 679 N LEU A 41 -12.974 19.798 13.814 1.00 0.00 N ATOM 680 CA LEU A 41 -12.656 19.876 12.399 1.00 0.00 C ATOM 681 C LEU A 41 -12.931 18.521 11.743 1.00 0.00 C ATOM 682 O LEU A 41 -13.009 17.501 12.426 1.00 0.00 O ATOM 683 CB LEU A 41 -11.223 20.376 12.199 1.00 0.00 C ATOM 684 CG LEU A 41 -11.056 21.889 12.045 1.00 0.00 C ATOM 685 CD1 LEU A 41 -11.518 22.354 10.663 1.00 0.00 C ATOM 686 CD2 LEU A 41 -11.774 22.636 13.171 1.00 0.00 C ATOM 0 H LEU A 41 -12.176 19.920 14.438 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.297 20.606 11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.623 20.049 13.048 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.811 19.893 11.313 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.995 22.126 12.126 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.389 23.433 10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.925 21.857 9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.570 22.103 10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.640 23.710 13.039 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.837 22.397 13.146 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.357 22.334 14.132 1.00 0.00 H new ATOM 698 N GLY A 42 -13.072 18.554 10.426 1.00 0.00 N ATOM 699 CA GLY A 42 -13.337 17.342 9.671 1.00 0.00 C ATOM 700 C GLY A 42 -12.487 16.179 10.185 1.00 0.00 C ATOM 701 O GLY A 42 -11.414 16.390 10.749 1.00 0.00 O ATOM 0 H GLY A 42 -13.008 19.402 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.394 17.086 9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.125 17.513 8.616 1.00 0.00 H new ATOM 705 N LYS A 43 -12.998 14.975 9.972 1.00 0.00 N ATOM 706 CA LYS A 43 -12.299 13.777 10.407 1.00 0.00 C ATOM 707 C LYS A 43 -10.989 13.645 9.627 1.00 0.00 C ATOM 708 O LYS A 43 -10.911 12.888 8.661 1.00 0.00 O ATOM 709 CB LYS A 43 -13.209 12.553 10.291 1.00 0.00 C ATOM 710 CG LYS A 43 -12.408 11.258 10.436 1.00 0.00 C ATOM 711 CD LYS A 43 -11.554 11.281 11.705 1.00 0.00 C ATOM 712 CE LYS A 43 -10.781 9.971 11.870 1.00 0.00 C ATOM 713 NZ LYS A 43 -11.534 9.029 12.728 1.00 0.00 N ATOM 0 H LYS A 43 -13.888 14.803 9.504 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.037 13.851 11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.981 12.595 11.060 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.718 12.564 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.088 10.407 10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.767 11.123 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.855 12.117 11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.192 11.443 12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.604 9.521 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.804 10.171 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.113 9.014 13.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.526 9.335 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.493 8.075 12.316 1.00 0.00 H new ATOM 727 N GLN A 44 -9.992 14.394 10.076 1.00 0.00 N ATOM 728 CA GLN A 44 -8.689 14.370 9.433 1.00 0.00 C ATOM 729 C GLN A 44 -8.822 14.730 7.952 1.00 0.00 C ATOM 730 O GLN A 44 -8.605 13.888 7.082 1.00 0.00 O ATOM 731 CB GLN A 44 -8.017 13.006 9.607 1.00 0.00 C ATOM 732 CG GLN A 44 -7.585 12.790 11.058 1.00 0.00 C ATOM 733 CD GLN A 44 -6.471 11.745 11.149 1.00 0.00 C ATOM 734 OE1 GLN A 44 -5.319 12.049 11.411 1.00 0.00 O ATOM 735 NE2 GLN A 44 -6.876 10.500 10.917 1.00 0.00 N ATOM 0 H GLN A 44 -10.061 15.021 10.877 1.00 0.00 H new ATOM 0 HA GLN A 44 -8.055 15.115 9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.706 12.216 9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.149 12.938 8.951 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.240 13.733 11.482 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.440 12.467 11.652 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.856 10.314 10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.207 9.731 10.953 1.00 0.00 H new ATOM 744 N CYS A 45 -9.178 15.983 7.710 1.00 0.00 N ATOM 745 CA CYS A 45 -9.343 16.466 6.350 1.00 0.00 C ATOM 746 C CYS A 45 -8.226 15.870 5.491 1.00 0.00 C ATOM 747 O CYS A 45 -7.060 16.232 5.644 1.00 0.00 O ATOM 748 CB CYS A 45 -9.356 17.995 6.289 1.00 0.00 C ATOM 749 SG CYS A 45 -9.062 18.556 4.572 1.00 0.00 S ATOM 0 H CYS A 45 -9.357 16.679 8.434 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.310 16.145 5.962 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.314 18.373 6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.589 18.400 6.949 1.00 0.00 H new ATOM 0 HG CYS A 45 -9.077 19.855 4.531 1.00 0.00 H new ATOM 755 N ARG A 46 -8.621 14.968 4.605 1.00 0.00 N ATOM 756 CA ARG A 46 -7.668 14.319 3.721 1.00 0.00 C ATOM 757 C ARG A 46 -6.827 13.305 4.500 1.00 0.00 C ATOM 758 O ARG A 46 -5.896 13.680 5.210 1.00 0.00 O ATOM 759 CB ARG A 46 -6.740 15.343 3.064 1.00 0.00 C ATOM 760 CG ARG A 46 -7.540 16.490 2.446 1.00 0.00 C ATOM 761 CD ARG A 46 -6.745 17.797 2.485 1.00 0.00 C ATOM 762 NE ARG A 46 -6.219 18.028 3.849 1.00 0.00 N ATOM 763 CZ ARG A 46 -5.281 18.937 4.148 1.00 0.00 C ATOM 764 NH1 ARG A 46 -4.761 19.706 3.181 1.00 0.00 N ATOM 765 NH2 ARG A 46 -4.863 19.078 5.413 1.00 0.00 N ATOM 0 H ARG A 46 -9.589 14.671 4.480 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.233 13.806 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.045 15.738 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.142 14.856 2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.795 16.246 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.479 16.615 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.922 17.753 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.382 18.629 2.186 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.594 17.460 4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.079 19.599 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.047 20.398 3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.259 18.493 6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.149 19.770 5.640 1.00 0.00 H new ATOM 779 N GLU A 47 -7.186 12.040 4.340 1.00 0.00 N ATOM 780 CA GLU A 47 -6.477 10.969 5.020 1.00 0.00 C ATOM 781 C GLU A 47 -7.162 9.627 4.756 1.00 0.00 C ATOM 782 O GLU A 47 -8.389 9.539 4.771 1.00 0.00 O ATOM 783 CB GLU A 47 -6.373 11.246 6.521 1.00 0.00 C ATOM 784 CG GLU A 47 -4.917 11.451 6.941 1.00 0.00 C ATOM 785 CD GLU A 47 -4.720 11.114 8.421 1.00 0.00 C ATOM 786 OE1 GLU A 47 -5.206 10.036 8.827 1.00 0.00 O ATOM 787 OE2 GLU A 47 -4.089 11.942 9.113 1.00 0.00 O ATOM 0 H GLU A 47 -7.959 11.732 3.749 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.463 10.921 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.956 12.132 6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.802 10.414 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.267 10.823 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.624 12.485 6.758 1.00 0.00 H new ATOM 794 N ARG A 48 -6.340 8.615 4.520 1.00 0.00 N ATOM 795 CA ARG A 48 -6.852 7.281 4.253 1.00 0.00 C ATOM 796 C ARG A 48 -7.194 7.131 2.769 1.00 0.00 C ATOM 797 O ARG A 48 -7.478 6.029 2.303 1.00 0.00 O ATOM 798 CB ARG A 48 -8.101 6.993 5.088 1.00 0.00 C ATOM 799 CG ARG A 48 -8.102 5.549 5.594 1.00 0.00 C ATOM 800 CD ARG A 48 -8.144 4.560 4.427 1.00 0.00 C ATOM 801 NE ARG A 48 -8.615 3.239 4.900 1.00 0.00 N ATOM 802 CZ ARG A 48 -9.188 2.320 4.112 1.00 0.00 C ATOM 803 NH1 ARG A 48 -9.365 2.571 2.808 1.00 0.00 N ATOM 804 NH2 ARG A 48 -9.585 1.148 4.628 1.00 0.00 N ATOM 0 H ARG A 48 -5.323 8.692 4.508 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.074 6.567 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.143 7.679 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.993 7.172 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.211 5.370 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.963 5.388 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.807 4.934 3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.152 4.465 3.984 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.496 3.014 5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.063 3.462 2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.801 1.871 2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.451 0.956 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.021 0.448 4.028 1.00 0.00 H new ATOM 818 N TRP A 49 -7.154 8.255 2.069 1.00 0.00 N ATOM 819 CA TRP A 49 -7.456 8.262 0.647 1.00 0.00 C ATOM 820 C TRP A 49 -6.529 9.275 -0.028 1.00 0.00 C ATOM 821 O TRP A 49 -5.509 8.901 -0.604 1.00 0.00 O ATOM 822 CB TRP A 49 -8.938 8.552 0.403 1.00 0.00 C ATOM 823 CG TRP A 49 -9.597 9.393 1.499 1.00 0.00 C ATOM 824 CD1 TRP A 49 -9.010 10.250 2.346 1.00 0.00 C ATOM 825 CD2 TRP A 49 -11.000 9.424 1.832 1.00 0.00 C ATOM 826 NE1 TRP A 49 -9.929 10.827 3.198 1.00 0.00 N ATOM 827 CE2 TRP A 49 -11.178 10.310 2.876 1.00 0.00 C ATOM 828 CE3 TRP A 49 -12.084 8.727 1.270 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -12.427 10.580 3.448 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -13.326 9.008 1.854 1.00 0.00 C ATOM 831 CH2 TRP A 49 -13.521 9.896 2.905 1.00 0.00 C ATOM 0 H TRP A 49 -6.917 9.167 2.459 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.276 7.280 0.209 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.044 9.069 -0.551 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.473 7.606 0.314 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.951 10.462 2.360 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -9.728 11.508 3.930 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -11.968 8.030 0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.540 11.278 4.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -14.193 8.499 1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -14.513 10.058 3.301 1.00 0.00 H new ATOM 842 N HIS A 50 -6.918 10.539 0.066 1.00 0.00 N ATOM 843 CA HIS A 50 -6.134 11.608 -0.528 1.00 0.00 C ATOM 844 C HIS A 50 -4.644 11.310 -0.357 1.00 0.00 C ATOM 845 O HIS A 50 -3.866 11.451 -1.299 1.00 0.00 O ATOM 846 CB HIS A 50 -6.538 12.965 0.053 1.00 0.00 C ATOM 847 CG HIS A 50 -6.261 14.133 -0.864 1.00 0.00 C ATOM 848 ND1 HIS A 50 -4.999 14.675 -1.026 1.00 0.00 N ATOM 849 CD2 HIS A 50 -7.097 14.854 -1.665 1.00 0.00 C ATOM 850 CE1 HIS A 50 -5.082 15.678 -1.888 1.00 0.00 C ATOM 851 NE2 HIS A 50 -6.384 15.788 -2.282 1.00 0.00 N ATOM 0 H HIS A 50 -7.765 10.846 0.544 1.00 0.00 H new ATOM 0 HA HIS A 50 -6.337 11.660 -1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.602 12.946 0.289 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.006 13.119 0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -8.159 14.692 -1.778 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.263 16.299 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.749 16.475 -2.942 1.00 0.00 H new ATOM 859 N ASN A 51 -4.290 10.902 0.854 1.00 0.00 N ATOM 860 CA ASN A 51 -2.907 10.582 1.161 1.00 0.00 C ATOM 861 C ASN A 51 -2.787 9.085 1.456 1.00 0.00 C ATOM 862 O ASN A 51 -3.488 8.273 0.855 1.00 0.00 O ATOM 863 CB ASN A 51 -2.426 11.347 2.396 1.00 0.00 C ATOM 864 CG ASN A 51 -3.052 12.742 2.455 1.00 0.00 C ATOM 865 OD1 ASN A 51 -4.323 12.748 2.846 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -2.422 13.746 2.164 1.00 0.00 N flip ATOM 0 H ASN A 51 -4.938 10.786 1.633 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.297 10.863 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.684 10.790 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.340 11.433 2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.448 13.670 1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.870 14.661 2.214 1.00 0.00 H new ATOM 1023 N SER A 61 12.106 3.480 -9.795 1.00 0.00 N ATOM 1024 CA SER A 61 13.016 2.347 -9.784 1.00 0.00 C ATOM 1025 C SER A 61 12.225 1.042 -9.674 1.00 0.00 C ATOM 1026 O SER A 61 11.074 0.971 -10.103 1.00 0.00 O ATOM 1027 CB SER A 61 14.019 2.457 -8.635 1.00 0.00 C ATOM 1028 OG SER A 61 15.339 2.105 -9.042 1.00 0.00 O ATOM 0 HA SER A 61 13.575 2.349 -10.720 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.018 3.477 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.706 1.807 -7.818 1.00 0.00 H new ATOM 0 HG SER A 61 15.950 2.190 -8.280 1.00 0.00 H new ATOM 1034 N TRP A 62 12.873 0.040 -9.098 1.00 0.00 N ATOM 1035 CA TRP A 62 12.245 -1.258 -8.927 1.00 0.00 C ATOM 1036 C TRP A 62 11.033 -1.080 -8.010 1.00 0.00 C ATOM 1037 O TRP A 62 10.825 -0.003 -7.453 1.00 0.00 O ATOM 1038 CB TRP A 62 13.247 -2.287 -8.399 1.00 0.00 C ATOM 1039 CG TRP A 62 14.550 -2.354 -9.199 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.690 -1.685 -8.977 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.802 -3.166 -10.365 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.654 -2.005 -9.911 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.096 -2.934 -10.782 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.963 -4.066 -11.046 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.668 -3.564 -11.894 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.549 -4.687 -12.155 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.851 -4.465 -12.587 1.00 0.00 C ATOM 0 H TRP A 62 13.827 0.102 -8.744 1.00 0.00 H new ATOM 0 HA TRP A 62 11.903 -1.650 -9.885 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.482 -2.051 -7.361 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.778 -3.271 -8.404 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.836 -0.984 -8.169 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.601 -1.629 -9.954 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.947 -4.262 -10.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.684 -3.366 -12.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.947 -5.388 -12.714 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.231 -4.985 -13.454 1.00 0.00 H new ATOM 1058 N THR A 63 10.265 -2.152 -7.883 1.00 0.00 N ATOM 1059 CA THR A 63 9.079 -2.127 -7.044 1.00 0.00 C ATOM 1060 C THR A 63 9.040 -3.360 -6.139 1.00 0.00 C ATOM 1061 O THR A 63 10.072 -3.977 -5.879 1.00 0.00 O ATOM 1062 CB THR A 63 7.857 -2.003 -7.956 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.829 -3.237 -8.668 1.00 0.00 O ATOM 1064 CG2 THR A 63 8.044 -0.947 -9.047 1.00 0.00 C ATOM 0 H THR A 63 10.441 -3.043 -8.347 1.00 0.00 H new ATOM 0 HA THR A 63 9.088 -1.269 -6.371 1.00 0.00 H new ATOM 0 HB THR A 63 6.981 -1.754 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.903 -3.545 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.148 -0.900 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.218 0.025 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.900 -1.213 -9.668 1.00 0.00 H new ATOM 1072 N GLU A 64 7.838 -3.683 -5.684 1.00 0.00 N ATOM 1073 CA GLU A 64 7.651 -4.832 -4.814 1.00 0.00 C ATOM 1074 C GLU A 64 7.627 -6.122 -5.636 1.00 0.00 C ATOM 1075 O GLU A 64 8.623 -6.842 -5.697 1.00 0.00 O ATOM 1076 CB GLU A 64 6.374 -4.688 -3.983 1.00 0.00 C ATOM 1077 CG GLU A 64 6.640 -3.893 -2.703 1.00 0.00 C ATOM 1078 CD GLU A 64 5.897 -4.505 -1.514 1.00 0.00 C ATOM 1079 OE1 GLU A 64 6.396 -5.529 -0.998 1.00 0.00 O ATOM 1080 OE2 GLU A 64 4.847 -3.935 -1.147 1.00 0.00 O ATOM 0 H GLU A 64 6.984 -3.169 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 64 8.492 -4.880 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.606 -4.188 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.988 -5.675 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.710 -3.875 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.324 -2.859 -2.841 1.00 0.00 H new ATOM 1087 N GLU A 65 6.480 -6.375 -6.248 1.00 0.00 N ATOM 1088 CA GLU A 65 6.313 -7.566 -7.064 1.00 0.00 C ATOM 1089 C GLU A 65 7.536 -7.770 -7.962 1.00 0.00 C ATOM 1090 O GLU A 65 7.935 -8.903 -8.225 1.00 0.00 O ATOM 1091 CB GLU A 65 5.031 -7.487 -7.894 1.00 0.00 C ATOM 1092 CG GLU A 65 3.797 -7.418 -6.992 1.00 0.00 C ATOM 1093 CD GLU A 65 2.638 -8.222 -7.586 1.00 0.00 C ATOM 1094 OE1 GLU A 65 1.904 -7.634 -8.409 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.512 -9.405 -7.202 1.00 0.00 O ATOM 0 H GLU A 65 5.657 -5.775 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 65 6.225 -8.427 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.064 -6.609 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.961 -8.358 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.043 -7.804 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.495 -6.379 -6.862 1.00 0.00 H new ATOM 1102 N GLU A 66 8.095 -6.654 -8.407 1.00 0.00 N ATOM 1103 CA GLU A 66 9.264 -6.696 -9.269 1.00 0.00 C ATOM 1104 C GLU A 66 10.463 -7.269 -8.511 1.00 0.00 C ATOM 1105 O GLU A 66 11.239 -8.046 -9.065 1.00 0.00 O ATOM 1106 CB GLU A 66 9.582 -5.308 -9.830 1.00 0.00 C ATOM 1107 CG GLU A 66 8.626 -4.945 -10.968 1.00 0.00 C ATOM 1108 CD GLU A 66 9.357 -4.186 -12.077 1.00 0.00 C ATOM 1109 OE1 GLU A 66 9.432 -2.943 -11.960 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.825 -4.865 -13.016 1.00 0.00 O ATOM 0 H GLU A 66 7.760 -5.716 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 66 9.046 -7.351 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.507 -4.565 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.610 -5.285 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.180 -5.852 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.810 -4.334 -10.581 1.00 0.00 H new ATOM 1117 N ASP A 67 10.578 -6.862 -7.255 1.00 0.00 N ATOM 1118 CA ASP A 67 11.669 -7.325 -6.415 1.00 0.00 C ATOM 1119 C ASP A 67 11.595 -8.847 -6.282 1.00 0.00 C ATOM 1120 O ASP A 67 12.576 -9.544 -6.535 1.00 0.00 O ATOM 1121 CB ASP A 67 11.577 -6.723 -5.011 1.00 0.00 C ATOM 1122 CG ASP A 67 12.921 -6.505 -4.312 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.407 -7.480 -3.700 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.431 -5.367 -4.405 1.00 0.00 O ATOM 0 H ASP A 67 9.933 -6.216 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 67 12.606 -7.017 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.058 -5.766 -5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.964 -7.377 -4.391 1.00 0.00 H new ATOM 1129 N ARG A 68 10.422 -9.318 -5.886 1.00 0.00 N ATOM 1130 CA ARG A 68 10.207 -10.745 -5.717 1.00 0.00 C ATOM 1131 C ARG A 68 10.555 -11.491 -7.006 1.00 0.00 C ATOM 1132 O ARG A 68 11.454 -12.330 -7.019 1.00 0.00 O ATOM 1133 CB ARG A 68 8.754 -11.042 -5.341 1.00 0.00 C ATOM 1134 CG ARG A 68 8.431 -10.515 -3.941 1.00 0.00 C ATOM 1135 CD ARG A 68 8.449 -11.646 -2.911 1.00 0.00 C ATOM 1136 NE ARG A 68 9.846 -11.998 -2.570 1.00 0.00 N ATOM 1137 CZ ARG A 68 10.188 -12.932 -1.673 1.00 0.00 C ATOM 1138 NH1 ARG A 68 9.237 -13.614 -1.020 1.00 0.00 N ATOM 1139 NH2 ARG A 68 11.481 -13.184 -1.428 1.00 0.00 N ATOM 0 H ARG A 68 9.610 -8.737 -5.677 1.00 0.00 H new ATOM 0 HA ARG A 68 10.856 -11.085 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.085 -10.583 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.577 -12.117 -5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.156 -9.751 -3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.451 -10.038 -3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.913 -11.340 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.932 -12.519 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 68 10.595 -11.498 -3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.253 -13.422 -1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.497 -14.325 -0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.205 -12.665 -1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.741 -13.895 -0.745 1.00 0.00 H new ATOM 1153 N ILE A 69 9.825 -11.157 -8.061 1.00 0.00 N ATOM 1154 CA ILE A 69 10.046 -11.785 -9.352 1.00 0.00 C ATOM 1155 C ILE A 69 11.548 -11.977 -9.571 1.00 0.00 C ATOM 1156 O ILE A 69 11.988 -13.052 -9.977 1.00 0.00 O ATOM 1157 CB ILE A 69 9.361 -10.984 -10.462 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.843 -10.970 -10.269 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.759 -11.509 -11.843 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.195 -9.863 -11.104 1.00 0.00 C ATOM 0 H ILE A 69 9.081 -10.460 -8.047 1.00 0.00 H new ATOM 0 HA ILE A 69 9.590 -12.775 -9.376 1.00 0.00 H new ATOM 0 HB ILE A 69 9.704 -9.951 -10.400 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.427 -11.936 -10.554 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.608 -10.821 -9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.258 -10.922 -12.613 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.839 -11.425 -11.967 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.464 -12.554 -11.934 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.116 -9.875 -10.949 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.595 -8.896 -10.799 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.412 -10.029 -12.159 1.00 0.00 H new ATOM 1172 N ILE A 70 12.295 -10.918 -9.293 1.00 0.00 N ATOM 1173 CA ILE A 70 13.738 -10.957 -9.454 1.00 0.00 C ATOM 1174 C ILE A 70 14.316 -12.066 -8.573 1.00 0.00 C ATOM 1175 O ILE A 70 14.805 -13.075 -9.079 1.00 0.00 O ATOM 1176 CB ILE A 70 14.344 -9.579 -9.184 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.642 -8.499 -10.011 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.856 -9.589 -9.420 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.545 -8.002 -11.142 1.00 0.00 C ATOM 0 H ILE A 70 11.927 -10.028 -8.957 1.00 0.00 H new ATOM 0 HA ILE A 70 14.000 -11.199 -10.484 1.00 0.00 H new ATOM 0 HB ILE A 70 14.183 -9.335 -8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.717 -8.898 -10.428 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.367 -7.664 -9.367 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.262 -8.597 -9.221 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.324 -10.313 -8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.061 -9.864 -10.455 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.023 -7.235 -11.714 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.458 -7.581 -10.721 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.798 -8.835 -11.798 1.00 0.00 H new ATOM 1191 N PHE A 71 14.240 -11.842 -7.269 1.00 0.00 N ATOM 1192 CA PHE A 71 14.749 -12.810 -6.312 1.00 0.00 C ATOM 1193 C PHE A 71 14.289 -14.225 -6.666 1.00 0.00 C ATOM 1194 O PHE A 71 14.942 -15.203 -6.305 1.00 0.00 O ATOM 1195 CB PHE A 71 14.181 -12.428 -4.944 1.00 0.00 C ATOM 1196 CG PHE A 71 14.052 -13.604 -3.974 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.086 -14.542 -4.166 1.00 0.00 C ATOM 1198 CD2 PHE A 71 14.904 -13.712 -2.919 1.00 0.00 C ATOM 1199 CE1 PHE A 71 12.966 -15.633 -3.266 1.00 0.00 C ATOM 1200 CE2 PHE A 71 14.784 -14.804 -2.019 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.818 -15.741 -2.211 1.00 0.00 C ATOM 0 H PHE A 71 13.834 -11.004 -6.853 1.00 0.00 H new ATOM 0 HA PHE A 71 15.839 -12.800 -6.317 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.821 -11.669 -4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.199 -11.975 -5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.410 -14.457 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.671 -12.968 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.198 -16.377 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.461 -14.890 -1.182 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.727 -16.571 -1.526 1.00 0.00 H new ATOM 1211 N GLU A 72 13.167 -14.290 -7.368 1.00 0.00 N ATOM 1212 CA GLU A 72 12.611 -15.569 -7.775 1.00 0.00 C ATOM 1213 C GLU A 72 13.380 -16.125 -8.975 1.00 0.00 C ATOM 1214 O GLU A 72 14.112 -17.105 -8.848 1.00 0.00 O ATOM 1215 CB GLU A 72 11.119 -15.444 -8.090 1.00 0.00 C ATOM 1216 CG GLU A 72 10.303 -15.246 -6.811 1.00 0.00 C ATOM 1217 CD GLU A 72 8.985 -16.020 -6.877 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.237 -15.787 -7.852 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.754 -16.828 -5.952 1.00 0.00 O ATOM 0 H GLU A 72 12.628 -13.477 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 72 12.716 -16.268 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.955 -14.603 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.777 -16.340 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.882 -15.580 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.099 -14.185 -6.666 1.00 0.00 H new ATOM 1226 N ALA A 73 13.189 -15.474 -10.113 1.00 0.00 N ATOM 1227 CA ALA A 73 13.855 -15.890 -11.335 1.00 0.00 C ATOM 1228 C ALA A 73 15.348 -16.081 -11.057 1.00 0.00 C ATOM 1229 O ALA A 73 16.032 -16.798 -11.786 1.00 0.00 O ATOM 1230 CB ALA A 73 13.594 -14.861 -12.436 1.00 0.00 C ATOM 0 H ALA A 73 12.582 -14.661 -10.214 1.00 0.00 H new ATOM 0 HA ALA A 73 13.459 -16.844 -11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.094 -15.174 -13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.522 -14.785 -12.616 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.980 -13.890 -12.125 1.00 0.00 H new ATOM 1236 N HIS A 74 15.809 -15.427 -10.001 1.00 0.00 N ATOM 1237 CA HIS A 74 17.207 -15.515 -9.618 1.00 0.00 C ATOM 1238 C HIS A 74 17.490 -16.896 -9.024 1.00 0.00 C ATOM 1239 O HIS A 74 18.518 -17.504 -9.320 1.00 0.00 O ATOM 1240 CB HIS A 74 17.584 -14.374 -8.671 1.00 0.00 C ATOM 1241 CG HIS A 74 19.070 -14.232 -8.441 1.00 0.00 C ATOM 1242 ND1 HIS A 74 19.679 -14.574 -7.246 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.061 -13.784 -9.264 1.00 0.00 C ATOM 1244 CE1 HIS A 74 20.978 -14.338 -7.356 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.213 -13.847 -8.607 1.00 0.00 N ATOM 0 H HIS A 74 15.238 -14.834 -9.399 1.00 0.00 H new ATOM 0 HA HIS A 74 17.837 -15.401 -10.500 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.198 -13.438 -9.075 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.092 -14.534 -7.712 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.931 -13.437 -10.278 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.721 -14.505 -6.590 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.123 -13.573 -8.977 1.00 0.00 H new ATOM 1253 N LYS A 75 16.561 -17.351 -8.196 1.00 0.00 N ATOM 1254 CA LYS A 75 16.698 -18.649 -7.558 1.00 0.00 C ATOM 1255 C LYS A 75 16.183 -19.735 -8.505 1.00 0.00 C ATOM 1256 O LYS A 75 16.089 -20.901 -8.125 1.00 0.00 O ATOM 1257 CB LYS A 75 16.010 -18.649 -6.191 1.00 0.00 C ATOM 1258 CG LYS A 75 14.512 -18.373 -6.331 1.00 0.00 C ATOM 1259 CD LYS A 75 13.743 -18.890 -5.114 1.00 0.00 C ATOM 1260 CE LYS A 75 12.938 -20.143 -5.465 1.00 0.00 C ATOM 1261 NZ LYS A 75 11.844 -20.347 -4.489 1.00 0.00 N ATOM 0 H LYS A 75 15.710 -16.844 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 75 17.748 -18.868 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.162 -19.612 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.465 -17.893 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.345 -17.302 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.133 -18.851 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.441 -19.116 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.072 -18.113 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.524 -20.047 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.594 -21.014 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.308 -21.201 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.245 -20.460 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.209 -19.523 -4.502 1.00 0.00 H new ATOM 1275 N VAL A 76 15.865 -19.313 -9.720 1.00 0.00 N ATOM 1276 CA VAL A 76 15.363 -20.235 -10.724 1.00 0.00 C ATOM 1277 C VAL A 76 16.394 -20.372 -11.846 1.00 0.00 C ATOM 1278 O VAL A 76 16.314 -21.292 -12.659 1.00 0.00 O ATOM 1279 CB VAL A 76 13.994 -19.769 -11.225 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.260 -20.901 -11.947 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.150 -19.215 -10.075 1.00 0.00 C ATOM 0 H VAL A 76 15.945 -18.345 -10.032 1.00 0.00 H new ATOM 0 HA VAL A 76 15.217 -21.226 -10.293 1.00 0.00 H new ATOM 0 HB VAL A 76 14.155 -18.964 -11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.290 -20.543 -12.293 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.851 -21.231 -12.801 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.115 -21.736 -11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.182 -18.891 -10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.002 -19.992 -9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.664 -18.367 -9.622 1.00 0.00 H new ATOM 1291 N LEU A 77 17.339 -19.443 -11.855 1.00 0.00 N ATOM 1292 CA LEU A 77 18.385 -19.448 -12.863 1.00 0.00 C ATOM 1293 C LEU A 77 19.746 -19.305 -12.180 1.00 0.00 C ATOM 1294 O LEU A 77 20.661 -20.085 -12.442 1.00 0.00 O ATOM 1295 CB LEU A 77 18.113 -18.379 -13.923 1.00 0.00 C ATOM 1296 CG LEU A 77 16.641 -18.124 -14.257 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.411 -16.662 -14.644 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.151 -19.088 -15.340 1.00 0.00 C ATOM 0 H LEU A 77 17.402 -18.681 -11.180 1.00 0.00 H new ATOM 0 HA LEU A 77 18.395 -20.398 -13.397 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.556 -17.442 -13.587 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.629 -18.665 -14.840 1.00 0.00 H new ATOM 0 HG LEU A 77 16.049 -18.316 -13.362 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.357 -16.509 -14.876 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.697 -16.016 -13.814 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.014 -16.418 -15.518 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.103 -18.886 -15.559 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.744 -18.951 -16.244 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.257 -20.114 -14.989 1.00 0.00 H new ATOM 1310 N GLY A 78 19.838 -18.303 -11.319 1.00 0.00 N ATOM 1311 CA GLY A 78 21.073 -18.047 -10.596 1.00 0.00 C ATOM 1312 C GLY A 78 21.508 -16.589 -10.753 1.00 0.00 C ATOM 1313 O GLY A 78 21.479 -15.822 -9.792 1.00 0.00 O ATOM 0 H GLY A 78 19.077 -17.658 -11.105 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.935 -18.277 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.858 -18.706 -10.966 1.00 0.00 H new ATOM 1317 N ASN A 79 21.901 -16.250 -11.973 1.00 0.00 N ATOM 1318 CA ASN A 79 22.342 -14.897 -12.268 1.00 0.00 C ATOM 1319 C ASN A 79 21.997 -14.559 -13.719 1.00 0.00 C ATOM 1320 O ASN A 79 22.580 -13.646 -14.303 1.00 0.00 O ATOM 1321 CB ASN A 79 23.857 -14.763 -12.098 1.00 0.00 C ATOM 1322 CG ASN A 79 24.495 -16.115 -11.775 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.225 -16.730 -10.757 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.354 -16.541 -12.696 1.00 0.00 N ATOM 0 H ASN A 79 21.923 -16.889 -12.768 1.00 0.00 H new ATOM 0 HA ASN A 79 21.840 -14.220 -11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.295 -14.359 -13.011 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.075 -14.054 -11.300 1.00 0.00 H new ATOM 0 HD21 ASN A 79 25.833 -17.433 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.534 -15.976 -13.526 1.00 0.00 H new ATOM 1331 N ARG A 80 21.050 -15.312 -14.260 1.00 0.00 N ATOM 1332 CA ARG A 80 20.620 -15.102 -15.632 1.00 0.00 C ATOM 1333 C ARG A 80 19.844 -13.789 -15.751 1.00 0.00 C ATOM 1334 O ARG A 80 18.681 -13.786 -16.151 1.00 0.00 O ATOM 1335 CB ARG A 80 19.737 -16.255 -16.114 1.00 0.00 C ATOM 1336 CG ARG A 80 20.501 -17.167 -17.075 1.00 0.00 C ATOM 1337 CD ARG A 80 21.124 -18.349 -16.330 1.00 0.00 C ATOM 1338 NE ARG A 80 21.226 -19.519 -17.232 1.00 0.00 N ATOM 1339 CZ ARG A 80 22.097 -20.523 -17.063 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.946 -20.507 -16.027 1.00 0.00 N ATOM 1341 NH2 ARG A 80 22.118 -21.544 -17.931 1.00 0.00 N ATOM 0 H ARG A 80 20.569 -16.068 -13.773 1.00 0.00 H new ATOM 0 HA ARG A 80 21.512 -15.057 -16.256 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.389 -16.833 -15.258 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.852 -15.857 -16.611 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.826 -17.535 -17.848 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.282 -16.598 -17.579 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.113 -18.077 -15.961 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.518 -18.602 -15.460 1.00 0.00 H new ATOM 0 HE ARG A 80 20.594 -19.563 -18.031 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.930 -19.730 -15.366 1.00 0.00 H new ATOM 0 HH12 ARG A 80 23.609 -21.272 -15.899 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.471 -21.556 -18.720 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.781 -22.309 -17.803 1.00 0.00 H new ATOM 1355 N TRP A 81 20.519 -12.706 -15.395 1.00 0.00 N ATOM 1356 CA TRP A 81 19.907 -11.389 -15.457 1.00 0.00 C ATOM 1357 C TRP A 81 19.322 -11.205 -16.859 1.00 0.00 C ATOM 1358 O TRP A 81 18.262 -10.603 -17.019 1.00 0.00 O ATOM 1359 CB TRP A 81 20.912 -10.299 -15.080 1.00 0.00 C ATOM 1360 CG TRP A 81 21.868 -10.697 -13.954 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.191 -10.899 -14.028 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.520 -10.935 -12.574 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.719 -11.248 -12.802 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.670 -11.271 -11.889 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.274 -10.869 -11.925 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.689 -11.566 -10.521 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.310 -11.168 -10.558 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.460 -11.507 -9.854 1.00 0.00 C ATOM 0 H TRP A 81 21.483 -12.713 -15.063 1.00 0.00 H new ATOM 0 HA TRP A 81 19.100 -11.304 -14.729 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.496 -10.036 -15.962 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.367 -9.404 -14.780 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.771 -10.801 -14.934 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.698 -11.452 -12.602 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.362 -10.608 -12.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.603 -11.825 -10.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.379 -11.133 -10.012 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.405 -11.724 -8.797 1.00 0.00 H new ATOM 1379 N ALA A 82 20.040 -11.734 -17.839 1.00 0.00 N ATOM 1380 CA ALA A 82 19.606 -11.635 -19.222 1.00 0.00 C ATOM 1381 C ALA A 82 18.223 -12.273 -19.365 1.00 0.00 C ATOM 1382 O ALA A 82 17.502 -11.992 -20.321 1.00 0.00 O ATOM 1383 CB ALA A 82 20.647 -12.291 -20.132 1.00 0.00 C ATOM 0 H ALA A 82 20.919 -12.232 -17.703 1.00 0.00 H new ATOM 0 HA ALA A 82 19.520 -10.591 -19.523 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.322 -12.217 -21.170 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.604 -11.783 -20.015 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.758 -13.341 -19.861 1.00 0.00 H new ATOM 1389 N GLU A 83 17.894 -13.119 -18.400 1.00 0.00 N ATOM 1390 CA GLU A 83 16.610 -13.798 -18.406 1.00 0.00 C ATOM 1391 C GLU A 83 15.681 -13.188 -17.354 1.00 0.00 C ATOM 1392 O GLU A 83 14.470 -13.114 -17.557 1.00 0.00 O ATOM 1393 CB GLU A 83 16.783 -15.301 -18.178 1.00 0.00 C ATOM 1394 CG GLU A 83 17.943 -15.852 -19.010 1.00 0.00 C ATOM 1395 CD GLU A 83 17.610 -15.821 -20.503 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.465 -16.197 -20.837 1.00 0.00 O ATOM 1397 OE2 GLU A 83 18.507 -15.423 -21.277 1.00 0.00 O ATOM 0 H GLU A 83 18.495 -13.350 -17.609 1.00 0.00 H new ATOM 0 HA GLU A 83 16.155 -13.662 -19.387 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.966 -15.493 -17.121 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.862 -15.821 -18.442 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.842 -15.264 -18.822 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.161 -16.875 -18.704 1.00 0.00 H new ATOM 1404 N ILE A 84 16.284 -12.766 -16.252 1.00 0.00 N ATOM 1405 CA ILE A 84 15.527 -12.165 -15.168 1.00 0.00 C ATOM 1406 C ILE A 84 14.626 -11.064 -15.730 1.00 0.00 C ATOM 1407 O ILE A 84 13.434 -11.017 -15.429 1.00 0.00 O ATOM 1408 CB ILE A 84 16.466 -11.685 -14.059 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.257 -12.853 -13.467 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.698 -10.911 -12.987 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.404 -13.647 -12.476 1.00 0.00 C ATOM 0 H ILE A 84 17.289 -12.829 -16.087 1.00 0.00 H new ATOM 0 HA ILE A 84 14.875 -12.905 -14.703 1.00 0.00 H new ATOM 0 HB ILE A 84 17.188 -10.996 -14.497 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.596 -13.510 -14.268 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.148 -12.476 -12.965 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.389 -10.581 -12.211 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.218 -10.043 -13.439 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.938 -11.557 -12.546 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.990 -14.471 -12.070 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.086 -12.993 -11.664 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.526 -14.043 -12.987 1.00 0.00 H new ATOM 1423 N ALA A 85 15.230 -10.204 -16.537 1.00 0.00 N ATOM 1424 CA ALA A 85 14.498 -9.106 -17.145 1.00 0.00 C ATOM 1425 C ALA A 85 13.406 -9.669 -18.056 1.00 0.00 C ATOM 1426 O ALA A 85 12.274 -9.187 -18.046 1.00 0.00 O ATOM 1427 CB ALA A 85 15.472 -8.196 -17.896 1.00 0.00 C ATOM 0 H ALA A 85 16.219 -10.246 -16.784 1.00 0.00 H new ATOM 0 HA ALA A 85 14.010 -8.501 -16.381 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.923 -7.372 -18.352 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.209 -7.798 -17.199 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.979 -8.768 -18.673 1.00 0.00 H new ATOM 1433 N LYS A 86 13.783 -10.683 -18.822 1.00 0.00 N ATOM 1434 CA LYS A 86 12.849 -11.317 -19.737 1.00 0.00 C ATOM 1435 C LYS A 86 11.555 -11.646 -18.991 1.00 0.00 C ATOM 1436 O LYS A 86 10.490 -11.738 -19.600 1.00 0.00 O ATOM 1437 CB LYS A 86 13.498 -12.529 -20.409 1.00 0.00 C ATOM 1438 CG LYS A 86 14.229 -12.121 -21.689 1.00 0.00 C ATOM 1439 CD LYS A 86 14.912 -13.326 -22.339 1.00 0.00 C ATOM 1440 CE LYS A 86 16.305 -12.956 -22.851 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.458 -13.352 -24.269 1.00 0.00 N ATOM 0 H LYS A 86 14.722 -11.081 -18.828 1.00 0.00 H new ATOM 0 HA LYS A 86 12.586 -10.636 -20.546 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.199 -12.999 -19.720 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.735 -13.271 -20.643 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.522 -11.678 -22.390 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.972 -11.357 -21.460 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.990 -14.138 -21.616 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.302 -13.692 -23.165 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.464 -11.883 -22.748 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.065 -13.450 -22.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.409 -13.094 -24.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.327 -14.380 -24.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.745 -12.861 -24.845 1.00 0.00 H new ATOM 1455 N LEU A 87 11.689 -11.815 -17.684 1.00 0.00 N ATOM 1456 CA LEU A 87 10.543 -12.133 -16.849 1.00 0.00 C ATOM 1457 C LEU A 87 9.854 -10.835 -16.421 1.00 0.00 C ATOM 1458 O LEU A 87 8.635 -10.797 -16.267 1.00 0.00 O ATOM 1459 CB LEU A 87 10.964 -13.021 -15.677 1.00 0.00 C ATOM 1460 CG LEU A 87 11.306 -14.471 -16.023 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.636 -14.887 -15.392 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.166 -15.413 -15.629 1.00 0.00 C ATOM 0 H LEU A 87 12.574 -11.738 -17.182 1.00 0.00 H new ATOM 0 HA LEU A 87 9.811 -12.713 -17.411 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.832 -12.568 -15.198 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.159 -13.024 -14.942 1.00 0.00 H new ATOM 0 HG LEU A 87 11.426 -14.544 -17.104 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.855 -15.922 -15.654 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.432 -14.242 -15.764 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.570 -14.793 -14.308 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.435 -16.437 -15.886 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.990 -15.342 -14.556 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.259 -15.131 -16.164 1.00 0.00 H new ATOM 1474 N LEU A 88 10.666 -9.803 -16.242 1.00 0.00 N ATOM 1475 CA LEU A 88 10.150 -8.507 -15.835 1.00 0.00 C ATOM 1476 C LEU A 88 10.188 -7.551 -17.028 1.00 0.00 C ATOM 1477 O LEU A 88 11.256 -7.079 -17.416 1.00 0.00 O ATOM 1478 CB LEU A 88 10.906 -7.991 -14.608 1.00 0.00 C ATOM 1479 CG LEU A 88 10.879 -8.896 -13.375 1.00 0.00 C ATOM 1480 CD1 LEU A 88 12.190 -9.673 -13.236 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.553 -8.093 -12.113 1.00 0.00 C ATOM 0 H LEU A 88 11.677 -9.838 -16.371 1.00 0.00 H new ATOM 0 HA LEU A 88 9.108 -8.591 -15.527 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.946 -7.825 -14.890 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.492 -7.021 -14.332 1.00 0.00 H new ATOM 0 HG LEU A 88 10.083 -9.629 -13.506 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.144 -10.309 -12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.342 -10.292 -14.120 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.019 -8.973 -13.137 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.540 -8.760 -11.251 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.311 -7.324 -11.965 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.576 -7.623 -12.223 1.00 0.00 H new ATOM 1493 N PRO A 89 8.979 -7.286 -17.591 1.00 0.00 N ATOM 1494 CA PRO A 89 8.864 -6.394 -18.732 1.00 0.00 C ATOM 1495 C PRO A 89 9.024 -4.933 -18.305 1.00 0.00 C ATOM 1496 O PRO A 89 8.037 -4.211 -18.168 1.00 0.00 O ATOM 1497 CB PRO A 89 7.498 -6.692 -19.328 1.00 0.00 C ATOM 1498 CG PRO A 89 6.712 -7.400 -18.237 1.00 0.00 C ATOM 1499 CD PRO A 89 7.694 -7.826 -17.158 1.00 0.00 C ATOM 0 HA PRO A 89 9.650 -6.553 -19.471 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.998 -5.774 -19.636 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.587 -7.320 -20.215 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.953 -6.737 -17.822 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.191 -8.267 -18.643 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.407 -7.431 -16.183 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.732 -8.911 -17.064 1.00 0.00 H new ATOM 1507 N GLY A 90 10.274 -4.541 -18.106 1.00 0.00 N ATOM 1508 CA GLY A 90 10.575 -3.180 -17.697 1.00 0.00 C ATOM 1509 C GLY A 90 12.022 -3.061 -17.213 1.00 0.00 C ATOM 1510 O GLY A 90 12.297 -2.368 -16.235 1.00 0.00 O ATOM 0 H GLY A 90 11.090 -5.142 -18.220 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.410 -2.500 -18.533 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.895 -2.877 -16.901 1.00 0.00 H new ATOM 1514 N ARG A 91 12.908 -3.748 -17.920 1.00 0.00 N ATOM 1515 CA ARG A 91 14.319 -3.727 -17.574 1.00 0.00 C ATOM 1516 C ARG A 91 15.085 -4.755 -18.409 1.00 0.00 C ATOM 1517 O ARG A 91 14.512 -5.396 -19.290 1.00 0.00 O ATOM 1518 CB ARG A 91 14.526 -4.031 -16.089 1.00 0.00 C ATOM 1519 CG ARG A 91 15.439 -2.989 -15.438 1.00 0.00 C ATOM 1520 CD ARG A 91 14.621 -1.846 -14.834 1.00 0.00 C ATOM 1521 NE ARG A 91 15.331 -1.280 -13.664 1.00 0.00 N ATOM 1522 CZ ARG A 91 15.081 -0.069 -13.148 1.00 0.00 C ATOM 1523 NH1 ARG A 91 14.138 0.711 -13.694 1.00 0.00 N ATOM 1524 NH2 ARG A 91 15.774 0.362 -12.085 1.00 0.00 N ATOM 0 H ARG A 91 12.676 -4.322 -18.730 1.00 0.00 H new ATOM 0 HA ARG A 91 14.698 -2.727 -17.785 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.563 -4.045 -15.579 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.962 -5.024 -15.975 1.00 0.00 H new ATOM 0 HG2 ARG A 91 16.040 -3.461 -14.661 1.00 0.00 H new ATOM 0 HG3 ARG A 91 16.132 -2.593 -16.180 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.458 -1.070 -15.582 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.639 -2.210 -14.533 1.00 0.00 H new ATOM 0 HE ARG A 91 16.055 -1.847 -13.224 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.610 0.383 -14.503 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.948 1.633 -13.301 1.00 0.00 H new ATOM 0 HH21 ARG A 91 16.491 -0.232 -11.669 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.584 1.284 -11.692 1.00 0.00 H new ATOM 1538 N THR A 92 16.368 -4.881 -18.103 1.00 0.00 N ATOM 1539 CA THR A 92 17.218 -5.820 -18.815 1.00 0.00 C ATOM 1540 C THR A 92 18.070 -6.622 -17.829 1.00 0.00 C ATOM 1541 O THR A 92 17.592 -7.010 -16.764 1.00 0.00 O ATOM 1542 CB THR A 92 18.046 -5.032 -19.832 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.922 -4.245 -19.030 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.211 -4.000 -20.593 1.00 0.00 C ATOM 0 H THR A 92 16.839 -4.349 -17.372 1.00 0.00 H new ATOM 0 HA THR A 92 16.625 -6.556 -19.358 1.00 0.00 H new ATOM 0 HB THR A 92 18.504 -5.722 -20.540 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.795 -4.176 -19.470 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.847 -3.469 -21.302 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.410 -4.506 -21.132 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.781 -3.289 -19.888 1.00 0.00 H new ATOM 1552 N ASP A 93 19.316 -6.845 -18.218 1.00 0.00 N ATOM 1553 CA ASP A 93 20.239 -7.593 -17.382 1.00 0.00 C ATOM 1554 C ASP A 93 21.052 -6.618 -16.528 1.00 0.00 C ATOM 1555 O ASP A 93 20.959 -6.634 -15.302 1.00 0.00 O ATOM 1556 CB ASP A 93 21.217 -8.407 -18.231 1.00 0.00 C ATOM 1557 CG ASP A 93 21.673 -7.725 -19.523 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.780 -7.305 -20.289 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.906 -7.639 -19.715 1.00 0.00 O ATOM 0 H ASP A 93 19.708 -6.521 -19.102 1.00 0.00 H new ATOM 0 HA ASP A 93 19.655 -8.269 -16.758 1.00 0.00 H new ATOM 0 HB2 ASP A 93 22.096 -8.635 -17.628 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.750 -9.358 -18.485 1.00 0.00 H new ATOM 1564 N ASN A 94 21.831 -5.792 -17.210 1.00 0.00 N ATOM 1565 CA ASN A 94 22.660 -4.811 -16.530 1.00 0.00 C ATOM 1566 C ASN A 94 21.840 -4.130 -15.433 1.00 0.00 C ATOM 1567 O ASN A 94 22.387 -3.710 -14.414 1.00 0.00 O ATOM 1568 CB ASN A 94 23.143 -3.731 -17.499 1.00 0.00 C ATOM 1569 CG ASN A 94 22.155 -3.548 -18.653 1.00 0.00 C ATOM 1570 OD1 ASN A 94 21.043 -3.077 -18.484 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.622 -3.947 -19.833 1.00 0.00 N ATOM 0 H ASN A 94 21.906 -5.782 -18.227 1.00 0.00 H new ATOM 0 HA ASN A 94 23.522 -5.330 -16.111 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.265 -2.788 -16.967 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.122 -4.003 -17.893 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.039 -3.867 -20.666 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.563 -4.333 -19.905 1.00 0.00 H new ATOM 1578 N ALA A 95 20.541 -4.043 -15.677 1.00 0.00 N ATOM 1579 CA ALA A 95 19.640 -3.420 -14.723 1.00 0.00 C ATOM 1580 C ALA A 95 19.493 -4.327 -13.500 1.00 0.00 C ATOM 1581 O ALA A 95 19.935 -3.979 -12.407 1.00 0.00 O ATOM 1582 CB ALA A 95 18.299 -3.131 -15.400 1.00 0.00 C ATOM 0 H ALA A 95 20.091 -4.394 -16.522 1.00 0.00 H new ATOM 0 HA ALA A 95 20.043 -2.467 -14.380 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.623 -2.664 -14.684 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.455 -2.459 -16.244 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.862 -4.064 -15.755 1.00 0.00 H new ATOM 1588 N VAL A 96 18.869 -5.474 -13.726 1.00 0.00 N ATOM 1589 CA VAL A 96 18.658 -6.435 -12.656 1.00 0.00 C ATOM 1590 C VAL A 96 20.000 -6.761 -11.997 1.00 0.00 C ATOM 1591 O VAL A 96 20.180 -6.532 -10.802 1.00 0.00 O ATOM 1592 CB VAL A 96 17.942 -7.673 -13.199 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.761 -8.726 -12.103 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.597 -7.298 -13.826 1.00 0.00 C ATOM 0 H VAL A 96 18.503 -5.760 -14.634 1.00 0.00 H new ATOM 0 HA VAL A 96 18.012 -6.014 -11.886 1.00 0.00 H new ATOM 0 HB VAL A 96 18.567 -8.106 -13.980 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.249 -9.596 -12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.737 -9.026 -11.722 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.167 -8.307 -11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.109 -8.196 -14.204 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.963 -6.830 -13.073 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.760 -6.601 -14.648 1.00 0.00 H new ATOM 1604 N LYS A 97 20.907 -7.290 -12.806 1.00 0.00 N ATOM 1605 CA LYS A 97 22.226 -7.650 -12.316 1.00 0.00 C ATOM 1606 C LYS A 97 22.686 -6.611 -11.291 1.00 0.00 C ATOM 1607 O LYS A 97 22.968 -6.949 -10.143 1.00 0.00 O ATOM 1608 CB LYS A 97 23.199 -7.835 -13.483 1.00 0.00 C ATOM 1609 CG LYS A 97 24.579 -8.265 -12.983 1.00 0.00 C ATOM 1610 CD LYS A 97 25.511 -8.585 -14.153 1.00 0.00 C ATOM 1611 CE LYS A 97 25.915 -7.311 -14.897 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.353 -7.026 -14.693 1.00 0.00 N ATOM 0 H LYS A 97 20.754 -7.478 -13.797 1.00 0.00 H new ATOM 0 HA LYS A 97 22.192 -8.611 -11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.808 -8.584 -14.172 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.285 -6.903 -14.041 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.013 -7.471 -12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.481 -9.141 -12.342 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.402 -9.093 -13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.015 -9.270 -14.841 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.708 -7.423 -15.961 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.318 -6.471 -14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.611 -6.158 -15.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.541 -6.898 -13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.919 -7.821 -15.053 1.00 0.00 H new ATOM 1626 N ASN A 98 22.748 -5.367 -11.744 1.00 0.00 N ATOM 1627 CA ASN A 98 23.169 -4.277 -10.881 1.00 0.00 C ATOM 1628 C ASN A 98 22.237 -4.201 -9.671 1.00 0.00 C ATOM 1629 O ASN A 98 22.694 -4.209 -8.529 1.00 0.00 O ATOM 1630 CB ASN A 98 23.101 -2.936 -11.615 1.00 0.00 C ATOM 1631 CG ASN A 98 23.946 -1.877 -10.903 1.00 0.00 C ATOM 1632 OD1 ASN A 98 25.046 -1.528 -11.564 1.00 0.00 O flip ATOM 1633 ND2 ASN A 98 23.620 -1.409 -9.825 1.00 0.00 N flip ATOM 0 H ASN A 98 22.514 -5.090 -12.697 1.00 0.00 H new ATOM 0 HA ASN A 98 24.197 -4.468 -10.573 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.454 -3.060 -12.639 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.065 -2.601 -11.673 1.00 0.00 H new ATOM 0 HD21 ASN A 98 22.761 -1.722 -9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.206 -0.705 -9.377 1.00 0.00 H new ATOM 1640 N HIS A 99 20.946 -4.129 -9.962 1.00 0.00 N ATOM 1641 CA HIS A 99 19.945 -4.052 -8.911 1.00 0.00 C ATOM 1642 C HIS A 99 20.267 -5.075 -7.820 1.00 0.00 C ATOM 1643 O HIS A 99 19.885 -4.896 -6.665 1.00 0.00 O ATOM 1644 CB HIS A 99 18.538 -4.221 -9.488 1.00 0.00 C ATOM 1645 CG HIS A 99 17.438 -4.128 -8.458 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.528 -3.325 -7.335 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.222 -4.742 -8.395 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.412 -3.459 -6.633 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.604 -4.338 -7.292 1.00 0.00 N ATOM 0 H HIS A 99 20.570 -4.122 -10.910 1.00 0.00 H new ATOM 0 HA HIS A 99 19.969 -3.064 -8.451 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.374 -3.458 -10.249 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.474 -5.188 -9.987 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.828 -5.439 -9.120 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.183 -2.960 -5.703 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.677 -4.636 -6.987 1.00 0.00 H new ATOM 1657 N TRP A 100 20.965 -6.126 -8.226 1.00 0.00 N ATOM 1658 CA TRP A 100 21.342 -7.178 -7.298 1.00 0.00 C ATOM 1659 C TRP A 100 22.293 -6.576 -6.262 1.00 0.00 C ATOM 1660 O TRP A 100 21.947 -6.464 -5.087 1.00 0.00 O ATOM 1661 CB TRP A 100 21.944 -8.373 -8.039 1.00 0.00 C ATOM 1662 CG TRP A 100 21.689 -9.720 -7.359 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.578 -10.680 -7.070 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.419 -10.220 -6.890 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.977 -11.757 -6.453 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.622 -11.469 -6.340 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.140 -9.636 -6.931 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.592 -12.240 -5.788 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.122 -10.420 -6.376 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.310 -11.679 -5.818 1.00 0.00 C ATOM 0 H TRP A 100 21.279 -6.271 -9.186 1.00 0.00 H new ATOM 0 HA TRP A 100 20.466 -7.568 -6.781 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.535 -8.404 -9.049 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.019 -8.224 -8.135 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.633 -10.618 -7.292 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.442 -12.609 -6.138 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.958 -8.660 -7.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.777 -13.215 -5.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.120 -10.018 -6.382 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.471 -12.222 -5.409 1.00 0.00 H new ATOM 1681 N ASN A 101 23.473 -6.203 -6.735 1.00 0.00 N ATOM 1682 CA ASN A 101 24.477 -5.616 -5.864 1.00 0.00 C ATOM 1683 C ASN A 101 24.034 -4.209 -5.459 1.00 0.00 C ATOM 1684 O ASN A 101 24.711 -3.541 -4.679 1.00 0.00 O ATOM 1685 CB ASN A 101 25.825 -5.499 -6.578 1.00 0.00 C ATOM 1686 CG ASN A 101 26.458 -6.877 -6.783 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.865 -7.547 -5.848 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.518 -7.261 -8.055 1.00 0.00 N ATOM 0 H ASN A 101 23.756 -6.296 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 101 24.585 -6.261 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.688 -5.010 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.497 -4.870 -5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.923 -8.165 -8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.159 -6.651 -8.789 1.00 0.00 H new ATOM 1695 N SER A 102 22.899 -3.800 -6.007 1.00 0.00 N ATOM 1696 CA SER A 102 22.357 -2.484 -5.712 1.00 0.00 C ATOM 1697 C SER A 102 21.785 -2.459 -4.293 1.00 0.00 C ATOM 1698 O SER A 102 22.442 -1.993 -3.364 1.00 0.00 O ATOM 1699 CB SER A 102 21.279 -2.093 -6.725 1.00 0.00 C ATOM 1700 OG SER A 102 21.799 -2.000 -8.049 1.00 0.00 O ATOM 0 H SER A 102 22.340 -4.357 -6.654 1.00 0.00 H new ATOM 0 HA SER A 102 23.166 -1.757 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.476 -2.829 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.843 -1.136 -6.439 1.00 0.00 H new ATOM 0 HG SER A 102 21.205 -1.445 -8.596 1.00 0.00 H new ATOM 1706 N THR A 103 20.568 -2.967 -4.171 1.00 0.00 N ATOM 1707 CA THR A 103 19.901 -3.009 -2.881 1.00 0.00 C ATOM 1708 C THR A 103 19.538 -4.450 -2.514 1.00 0.00 C ATOM 1709 O THR A 103 19.190 -4.734 -1.369 1.00 0.00 O ATOM 1710 CB THR A 103 18.690 -2.075 -2.944 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.226 -0.791 -2.635 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.687 -2.340 -1.819 1.00 0.00 C ATOM 0 H THR A 103 20.026 -3.353 -4.944 1.00 0.00 H new ATOM 0 HA THR A 103 20.558 -2.660 -2.085 1.00 0.00 H new ATOM 0 HB THR A 103 18.193 -2.189 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.509 -0.124 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.848 -1.651 -1.910 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.324 -3.365 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.174 -2.193 -0.855 1.00 0.00 H new ATOM 1720 N ILE A 104 19.632 -5.321 -3.508 1.00 0.00 N ATOM 1721 CA ILE A 104 19.318 -6.725 -3.305 1.00 0.00 C ATOM 1722 C ILE A 104 20.589 -7.474 -2.900 1.00 0.00 C ATOM 1723 O ILE A 104 20.755 -8.647 -3.230 1.00 0.00 O ATOM 1724 CB ILE A 104 18.631 -7.305 -4.543 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.709 -6.271 -5.193 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.890 -8.600 -4.203 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.245 -6.742 -6.573 1.00 0.00 C ATOM 0 H ILE A 104 19.921 -5.081 -4.456 1.00 0.00 H new ATOM 0 HA ILE A 104 18.605 -6.841 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 104 19.400 -7.556 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.843 -6.097 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.232 -5.319 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.411 -8.991 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.598 -9.335 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.132 -8.398 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.591 -5.989 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.112 -6.891 -7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.701 -7.681 -6.473 1.00 0.00 H new ATOM 1739 N LYS A 105 21.455 -6.765 -2.190 1.00 0.00 N ATOM 1740 CA LYS A 105 22.706 -7.348 -1.736 1.00 0.00 C ATOM 1741 C LYS A 105 23.105 -6.713 -0.403 1.00 0.00 C ATOM 1742 O LYS A 105 23.631 -5.602 -0.373 1.00 0.00 O ATOM 1743 CB LYS A 105 23.778 -7.225 -2.821 1.00 0.00 C ATOM 1744 CG LYS A 105 23.602 -8.306 -3.890 1.00 0.00 C ATOM 1745 CD LYS A 105 23.822 -9.701 -3.301 1.00 0.00 C ATOM 1746 CE LYS A 105 25.203 -10.243 -3.675 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.186 -10.803 -5.045 1.00 0.00 N ATOM 0 H LYS A 105 21.315 -5.792 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 105 22.586 -8.417 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.722 -6.239 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.767 -7.311 -2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.601 -8.241 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.307 -8.136 -4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.725 -9.661 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.050 -10.379 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.943 -9.445 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.503 -11.013 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 25.393 -11.821 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.247 -10.656 -5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.905 -10.325 -5.624 1.00 0.00 H new