USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 839 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= -0.384 USER MOD Set 2.1: A 65 ASN : amide:sc= -0.0761 K(o=0.9,f=-6.2!) USER MOD Set 2.2: A 67 THR OG1 : rot 97:sc= 0.973 USER MOD Set 3.1: A 60 TYR OH : rot 180:sc= 0.747 USER MOD Set 3.2: A 81 TYR OH : rot -155:sc= -0.646! USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -59:sc= 0.998 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.23 K(o=-1.2,f=-8.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -1.58 (180deg=-2.54!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -76:sc= 0.964 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= -0.183 (180deg=-1.01) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.41 F(o=-0.95,f=-0.41) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 160:sc= -0.201 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= 0.0348 (180deg=-0.382) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0102) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0404) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= 0.571 F(o=-0.058,f=0.57) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= -0.173 (180deg=-0.497) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.533 F(o=-1.3,f=-0.53) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.19) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.337 K(o=-0.34,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 8.992 5.825 -10.184 1.00 0.00 N ATOM 74 CA ASN A 5 8.653 6.145 -8.801 1.00 0.00 C ATOM 75 C ASN A 5 7.632 5.165 -8.264 1.00 0.00 C ATOM 76 O ASN A 5 6.639 5.518 -7.614 1.00 0.00 O ATOM 77 CB ASN A 5 8.128 7.607 -8.715 1.00 0.00 C ATOM 78 CG ASN A 5 9.179 8.721 -8.658 1.00 0.00 C ATOM 79 OD1 ASN A 5 9.414 9.447 -9.612 1.00 0.00 O ATOM 80 ND2 ASN A 5 9.845 8.899 -7.549 1.00 0.00 N ATOM 0 HA ASN A 5 9.548 6.061 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.488 7.789 -9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.498 7.689 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.549 9.635 -7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.662 8.302 -6.743 1.00 0.00 H new ATOM 87 N ALA A 6 7.867 3.895 -8.561 1.00 0.00 N ATOM 88 CA ALA A 6 6.943 2.822 -8.210 1.00 0.00 C ATOM 89 C ALA A 6 7.507 1.938 -7.119 1.00 0.00 C ATOM 90 O ALA A 6 8.659 2.065 -6.682 1.00 0.00 O ATOM 91 CB ALA A 6 6.627 2.043 -9.499 1.00 0.00 C ATOM 0 H ALA A 6 8.703 3.578 -9.052 1.00 0.00 H new ATOM 0 HA ALA A 6 6.020 3.231 -7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.936 1.230 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.172 2.714 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.549 1.632 -9.911 1.00 0.00 H new ATOM 97 N LEU A 7 6.673 1.023 -6.650 1.00 0.00 N ATOM 98 CA LEU A 7 6.997 0.170 -5.511 1.00 0.00 C ATOM 99 C LEU A 7 6.787 -1.289 -5.844 1.00 0.00 C ATOM 100 O LEU A 7 5.685 -1.844 -5.740 1.00 0.00 O ATOM 101 CB LEU A 7 6.160 0.583 -4.266 1.00 0.00 C ATOM 102 CG LEU A 7 6.067 2.106 -3.953 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.920 2.457 -2.993 1.00 0.00 C ATOM 104 CD2 LEU A 7 7.397 2.608 -3.376 1.00 0.00 C ATOM 0 H LEU A 7 5.750 0.849 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 7 8.053 0.306 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.147 0.201 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.580 0.082 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 7 5.854 2.605 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.910 3.532 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.971 2.153 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.064 1.935 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.321 3.674 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.622 2.067 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.194 2.440 -4.100 1.00 0.00 H new ATOM 116 N GLU A 8 7.869 -1.933 -6.257 1.00 0.00 N ATOM 117 CA GLU A 8 7.864 -3.364 -6.537 1.00 0.00 C ATOM 118 C GLU A 8 7.244 -4.138 -5.397 1.00 0.00 C ATOM 119 O GLU A 8 7.831 -4.297 -4.317 1.00 0.00 O ATOM 120 CB GLU A 8 9.327 -3.821 -6.799 1.00 0.00 C ATOM 121 CG GLU A 8 10.135 -3.046 -7.891 1.00 0.00 C ATOM 122 CD GLU A 8 11.399 -2.296 -7.465 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.593 -1.916 -6.317 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.285 -2.092 -8.479 1.00 0.00 O ATOM 0 H GLU A 8 8.772 -1.482 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 8 7.258 -3.563 -7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.876 -3.751 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.307 -4.874 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.417 -3.760 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.461 -2.325 -8.354 1.00 0.00 H new ATOM 131 N THR A 9 6.045 -4.641 -5.625 1.00 0.00 N ATOM 132 CA THR A 9 5.291 -5.358 -4.601 1.00 0.00 C ATOM 133 C THR A 9 5.149 -6.819 -4.958 1.00 0.00 C ATOM 134 O THR A 9 4.963 -7.190 -6.128 1.00 0.00 O ATOM 135 CB THR A 9 3.886 -4.697 -4.391 1.00 0.00 C ATOM 136 OG1 THR A 9 3.702 -3.620 -5.301 1.00 0.00 O ATOM 137 CG2 THR A 9 3.620 -4.080 -3.001 1.00 0.00 C ATOM 0 H THR A 9 5.563 -4.567 -6.521 1.00 0.00 H new ATOM 0 HA THR A 9 5.844 -5.295 -3.664 1.00 0.00 H new ATOM 0 HB THR A 9 3.206 -5.537 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.406 -2.952 -5.163 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.617 -3.654 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.704 -4.853 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.351 -3.296 -2.805 1.00 0.00 H new ATOM 145 N TRP A 10 5.232 -7.677 -3.959 1.00 0.00 N ATOM 146 CA TRP A 10 5.229 -9.122 -4.176 1.00 0.00 C ATOM 147 C TRP A 10 4.244 -9.807 -3.259 1.00 0.00 C ATOM 148 O TRP A 10 3.829 -9.271 -2.221 1.00 0.00 O ATOM 149 CB TRP A 10 6.658 -9.684 -3.924 1.00 0.00 C ATOM 150 CG TRP A 10 7.656 -9.393 -5.050 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.630 -8.374 -5.042 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.729 -9.977 -6.296 1.00 0.00 C ATOM 153 NE1 TRP A 10 9.312 -8.298 -6.272 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.734 -9.301 -7.034 1.00 0.00 C ATOM 155 CE3 TRP A 10 7.010 -11.054 -6.877 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.998 -9.672 -8.371 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.234 -11.347 -8.223 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.204 -10.657 -8.964 1.00 0.00 C ATOM 0 H TRP A 10 5.303 -7.401 -2.980 1.00 0.00 H new ATOM 0 HA TRP A 10 4.928 -9.317 -5.205 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.043 -9.263 -2.995 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.592 -10.763 -3.782 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.829 -7.731 -4.197 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.057 -7.655 -6.539 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.308 -11.631 -6.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.798 -9.203 -8.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.650 -12.119 -8.702 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.340 -10.891 -10.010 1.00 0.00 H new ATOM 169 N GLY A 11 3.852 -11.012 -3.631 1.00 0.00 N ATOM 170 CA GLY A 11 2.858 -11.774 -2.882 1.00 0.00 C ATOM 171 C GLY A 11 3.045 -13.258 -3.096 1.00 0.00 C ATOM 172 O GLY A 11 4.143 -13.743 -3.404 1.00 0.00 O ATOM 0 H GLY A 11 4.209 -11.492 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.940 -11.542 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.856 -11.480 -3.196 1.00 0.00 H new ATOM 176 N ALA A 12 1.964 -14.002 -2.957 1.00 0.00 N ATOM 177 CA ALA A 12 1.959 -15.432 -3.259 1.00 0.00 C ATOM 178 C ALA A 12 0.548 -15.934 -3.449 1.00 0.00 C ATOM 179 O ALA A 12 -0.406 -15.447 -2.817 1.00 0.00 O ATOM 180 CB ALA A 12 2.702 -16.151 -2.120 1.00 0.00 C ATOM 0 H ALA A 12 1.067 -13.641 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 12 2.472 -15.636 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.716 -17.223 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.725 -15.779 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.192 -15.961 -1.176 1.00 0.00 H new ATOM 186 N LEU A 13 0.372 -16.900 -4.333 1.00 0.00 N ATOM 187 CA LEU A 13 -0.924 -17.548 -4.505 1.00 0.00 C ATOM 188 C LEU A 13 -1.475 -18.002 -3.170 1.00 0.00 C ATOM 189 O LEU A 13 -0.917 -18.841 -2.453 1.00 0.00 O ATOM 190 CB LEU A 13 -0.847 -18.751 -5.492 1.00 0.00 C ATOM 191 CG LEU A 13 -2.146 -19.588 -5.687 1.00 0.00 C ATOM 192 CD1 LEU A 13 -3.374 -18.822 -5.166 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.368 -20.003 -7.151 1.00 0.00 C ATOM 0 H LEU A 13 1.107 -17.256 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.599 -16.809 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.539 -18.371 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.060 -19.422 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.016 -20.501 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.269 -19.426 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.248 -18.612 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.476 -17.884 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.287 -20.584 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.448 -19.112 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.527 -20.608 -7.489 1.00 0.00 H new ATOM 205 N GLY A 14 -2.626 -17.445 -2.828 1.00 0.00 N ATOM 206 CA GLY A 14 -3.391 -17.832 -1.647 1.00 0.00 C ATOM 207 C GLY A 14 -2.968 -16.998 -0.462 1.00 0.00 C ATOM 208 O GLY A 14 -2.797 -17.513 0.659 1.00 0.00 O ATOM 0 H GLY A 14 -3.064 -16.700 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.457 -17.699 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.235 -18.889 -1.433 1.00 0.00 H new ATOM 212 N GLN A 15 -2.809 -15.699 -0.660 1.00 0.00 N ATOM 213 CA GLN A 15 -2.232 -14.843 0.379 1.00 0.00 C ATOM 214 C GLN A 15 -3.059 -13.607 0.651 1.00 0.00 C ATOM 215 O GLN A 15 -4.027 -13.266 -0.040 1.00 0.00 O ATOM 216 CB GLN A 15 -0.800 -14.452 -0.058 1.00 0.00 C ATOM 217 CG GLN A 15 0.187 -14.065 1.092 1.00 0.00 C ATOM 218 CD GLN A 15 0.984 -15.169 1.797 1.00 0.00 C ATOM 219 OE1 GLN A 15 2.140 -15.409 1.487 1.00 0.00 O ATOM 220 NE2 GLN A 15 0.428 -15.868 2.753 1.00 0.00 N ATOM 0 H GLN A 15 -3.066 -15.213 -1.519 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.214 -15.403 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.371 -15.286 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.869 -13.612 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.904 -13.353 0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.387 -13.538 1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.537 -15.682 3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.960 -16.599 3.226 1.00 0.00 H new ATOM 229 N ASP A 16 -2.698 -12.911 1.718 1.00 0.00 N ATOM 230 CA ASP A 16 -3.290 -11.613 2.033 1.00 0.00 C ATOM 231 C ASP A 16 -2.201 -10.584 2.218 1.00 0.00 C ATOM 232 O ASP A 16 -1.160 -10.851 2.848 1.00 0.00 O ATOM 233 CB ASP A 16 -4.230 -11.730 3.263 1.00 0.00 C ATOM 234 CG ASP A 16 -4.396 -10.476 4.131 1.00 0.00 C ATOM 235 OD1 ASP A 16 -5.107 -9.533 3.812 1.00 0.00 O ATOM 236 OD2 ASP A 16 -3.667 -10.529 5.286 1.00 0.00 O ATOM 0 H ASP A 16 -1.994 -13.223 2.386 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.910 -11.277 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.216 -12.031 2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.860 -12.535 3.898 1.00 0.00 H new ATOM 241 N ILE A 17 -2.407 -9.385 1.705 1.00 0.00 N ATOM 242 CA ILE A 17 -1.347 -8.380 1.672 1.00 0.00 C ATOM 243 C ILE A 17 -1.885 -6.974 1.813 1.00 0.00 C ATOM 244 O ILE A 17 -3.096 -6.718 1.788 1.00 0.00 O ATOM 245 CB ILE A 17 -0.463 -8.534 0.366 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.997 -7.992 0.495 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.116 -7.871 -0.887 1.00 0.00 C ATOM 248 CD1 ILE A 17 1.816 -8.540 1.682 1.00 0.00 C ATOM 0 H ILE A 17 -3.294 -9.079 1.305 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.708 -8.557 2.537 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.411 -9.615 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.532 -8.221 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.955 -6.906 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.466 -8.008 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.082 -8.336 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.256 -6.806 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.812 -8.096 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.315 -8.288 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.901 -9.623 1.596 1.00 0.00 H new ATOM 260 N ASN A 18 -0.965 -6.029 1.944 1.00 0.00 N ATOM 261 CA ASN A 18 -1.302 -4.610 1.975 1.00 0.00 C ATOM 262 C ASN A 18 -0.432 -3.807 1.034 1.00 0.00 C ATOM 263 O ASN A 18 0.787 -4.006 0.933 1.00 0.00 O ATOM 264 CB ASN A 18 -1.151 -4.070 3.429 1.00 0.00 C ATOM 265 CG ASN A 18 -1.864 -4.810 4.564 1.00 0.00 C ATOM 266 OD1 ASN A 18 -2.273 -5.956 4.450 1.00 0.00 O ATOM 267 ND2 ASN A 18 -2.018 -4.198 5.709 1.00 0.00 N ATOM 0 H ASN A 18 0.033 -6.221 2.032 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.335 -4.501 1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.087 -4.048 3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.500 -3.037 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.472 -4.677 6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.684 -3.241 5.825 1.00 0.00 H new ATOM 274 N LEU A 19 -1.048 -2.866 0.342 1.00 0.00 N ATOM 275 CA LEU A 19 -0.332 -1.896 -0.483 1.00 0.00 C ATOM 276 C LEU A 19 0.078 -0.703 0.350 1.00 0.00 C ATOM 277 O LEU A 19 -0.689 0.256 0.534 1.00 0.00 O ATOM 278 CB LEU A 19 -1.204 -1.472 -1.700 1.00 0.00 C ATOM 279 CG LEU A 19 -1.294 -2.446 -2.906 1.00 0.00 C ATOM 280 CD1 LEU A 19 -0.159 -2.241 -3.923 1.00 0.00 C ATOM 281 CD2 LEU A 19 -1.289 -3.899 -2.411 1.00 0.00 C ATOM 0 H LEU A 19 -2.061 -2.748 0.333 1.00 0.00 H new ATOM 0 HA LEU A 19 0.575 -2.359 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.217 -1.293 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.823 -0.519 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.231 -2.228 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.274 -2.949 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.199 -1.224 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.801 -2.404 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.352 -4.574 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.367 -4.093 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.144 -4.063 -1.754 1.00 0.00 H new ATOM 293 N ASP A 20 1.300 -0.719 0.850 1.00 0.00 N ATOM 294 CA ASP A 20 1.766 0.276 1.812 1.00 0.00 C ATOM 295 C ASP A 20 2.480 1.420 1.128 1.00 0.00 C ATOM 296 O ASP A 20 3.597 1.305 0.606 1.00 0.00 O ATOM 297 CB ASP A 20 2.657 -0.396 2.889 1.00 0.00 C ATOM 298 CG ASP A 20 2.108 -1.680 3.530 1.00 0.00 C ATOM 299 OD1 ASP A 20 0.762 -1.621 3.762 1.00 0.00 O ATOM 300 OD2 ASP A 20 2.813 -2.636 3.818 1.00 0.00 O ATOM 0 H ASP A 20 2.000 -1.419 0.604 1.00 0.00 H new ATOM 0 HA ASP A 20 0.896 0.704 2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.622 -0.626 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.840 0.330 3.682 1.00 0.00 H new ATOM 305 N ILE A 21 1.823 2.571 1.118 1.00 0.00 N ATOM 306 CA ILE A 21 2.403 3.820 0.636 1.00 0.00 C ATOM 307 C ILE A 21 3.471 4.322 1.580 1.00 0.00 C ATOM 308 O ILE A 21 3.473 4.017 2.782 1.00 0.00 O ATOM 309 CB ILE A 21 1.274 4.908 0.387 1.00 0.00 C ATOM 310 CG1 ILE A 21 1.722 6.194 -0.383 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.587 5.363 1.712 1.00 0.00 C ATOM 312 CD1 ILE A 21 2.147 5.991 -1.851 1.00 0.00 C ATOM 0 H ILE A 21 0.862 2.667 1.447 1.00 0.00 H new ATOM 0 HA ILE A 21 2.885 3.626 -0.322 1.00 0.00 H new ATOM 0 HB ILE A 21 0.576 4.372 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.902 6.912 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.555 6.644 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.177 6.107 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.125 4.503 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.333 5.797 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.436 6.950 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.992 5.304 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.313 5.576 -2.417 1.00 0.00 H new ATOM 324 N PRO A 22 4.397 5.101 1.054 1.00 0.00 N ATOM 325 CA PRO A 22 5.507 5.845 1.790 1.00 0.00 C ATOM 326 C PRO A 22 5.120 6.510 3.095 1.00 0.00 C ATOM 327 O PRO A 22 3.996 6.449 3.610 1.00 0.00 O ATOM 328 CB PRO A 22 5.970 6.942 0.830 1.00 0.00 C ATOM 329 CG PRO A 22 5.862 6.200 -0.512 1.00 0.00 C ATOM 330 CD PRO A 22 4.547 5.424 -0.391 1.00 0.00 C ATOM 0 HA PRO A 22 6.259 5.106 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.331 7.824 0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.987 7.275 1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.842 6.893 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.709 5.532 -0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.707 6.020 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.572 4.516 -0.994 1.00 0.00 H new ATOM 338 N SER A 23 6.094 7.225 3.657 1.00 0.00 N ATOM 339 CA SER A 23 5.945 7.837 4.975 1.00 0.00 C ATOM 340 C SER A 23 5.297 9.204 4.915 1.00 0.00 C ATOM 341 O SER A 23 5.568 10.085 5.750 1.00 0.00 O ATOM 342 CB SER A 23 7.315 7.902 5.699 1.00 0.00 C ATOM 343 OG SER A 23 7.520 6.812 6.604 1.00 0.00 O ATOM 0 H SER A 23 6.998 7.395 3.217 1.00 0.00 H new ATOM 0 HA SER A 23 5.271 7.201 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.113 7.906 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.386 8.841 6.248 1.00 0.00 H new ATOM 0 HG SER A 23 8.398 6.902 7.031 1.00 0.00 H new ATOM 349 N PHE A 24 4.445 9.420 3.932 1.00 0.00 N ATOM 350 CA PHE A 24 3.624 10.626 3.849 1.00 0.00 C ATOM 351 C PHE A 24 2.193 10.322 4.228 1.00 0.00 C ATOM 352 O PHE A 24 1.537 9.446 3.636 1.00 0.00 O ATOM 353 CB PHE A 24 3.651 11.200 2.400 1.00 0.00 C ATOM 354 CG PHE A 24 3.281 12.684 2.250 1.00 0.00 C ATOM 355 CD1 PHE A 24 1.934 13.058 2.184 1.00 0.00 C ATOM 356 CD2 PHE A 24 4.273 13.662 2.151 1.00 0.00 C ATOM 357 CE1 PHE A 24 1.584 14.395 2.034 1.00 0.00 C ATOM 358 CE2 PHE A 24 3.921 15.000 1.993 1.00 0.00 C ATOM 359 CZ PHE A 24 2.577 15.367 1.940 1.00 0.00 C ATOM 0 H PHE A 24 4.298 8.766 3.163 1.00 0.00 H new ATOM 0 HA PHE A 24 4.034 11.360 4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.651 11.054 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.968 10.613 1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.163 12.305 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.315 13.380 2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.543 14.680 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.690 15.754 1.911 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.306 16.406 1.826 1.00 0.00 H new ATOM 369 N GLN A 25 1.679 11.016 5.225 1.00 0.00 N ATOM 370 CA GLN A 25 0.355 10.721 5.773 1.00 0.00 C ATOM 371 C GLN A 25 -0.499 11.965 5.851 1.00 0.00 C ATOM 372 O GLN A 25 -0.026 13.069 6.156 1.00 0.00 O ATOM 373 CB GLN A 25 0.526 10.081 7.169 1.00 0.00 C ATOM 374 CG GLN A 25 1.145 10.994 8.278 1.00 0.00 C ATOM 375 CD GLN A 25 2.013 10.358 9.371 1.00 0.00 C ATOM 376 OE1 GLN A 25 2.767 11.036 10.051 1.00 0.00 O ATOM 377 NE2 GLN A 25 1.950 9.070 9.589 1.00 0.00 N ATOM 0 H GLN A 25 2.156 11.794 5.679 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.159 10.024 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.451 9.741 7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.153 9.196 7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.748 11.753 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.324 11.514 8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.326 8.488 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.525 8.647 10.318 1.00 0.00 H new ATOM 386 N MET A 26 -1.784 11.797 5.594 1.00 0.00 N ATOM 387 CA MET A 26 -2.738 12.901 5.629 1.00 0.00 C ATOM 388 C MET A 26 -2.996 13.349 7.048 1.00 0.00 C ATOM 389 O MET A 26 -2.849 12.585 8.014 1.00 0.00 O ATOM 390 CB MET A 26 -4.061 12.478 4.933 1.00 0.00 C ATOM 391 CG MET A 26 -4.970 11.516 5.728 1.00 0.00 C ATOM 392 SD MET A 26 -6.193 12.458 6.655 1.00 0.00 S ATOM 393 CE MET A 26 -7.571 11.309 6.519 1.00 0.00 C ATOM 0 H MET A 26 -2.199 10.896 5.355 1.00 0.00 H new ATOM 0 HA MET A 26 -2.312 13.747 5.089 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.631 13.378 4.704 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.813 12.008 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.469 10.826 5.047 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.369 10.913 6.409 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.438 11.718 7.038 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.816 11.157 5.468 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.295 10.355 6.969 1.00 0.00 H new ATOM 403 N SER A 27 -3.390 14.599 7.199 1.00 0.00 N ATOM 404 CA SER A 27 -3.576 15.198 8.521 1.00 0.00 C ATOM 405 C SER A 27 -4.897 15.934 8.586 1.00 0.00 C ATOM 406 O SER A 27 -5.965 15.321 8.348 1.00 0.00 O ATOM 407 CB SER A 27 -2.358 16.086 8.886 1.00 0.00 C ATOM 408 OG SER A 27 -2.372 16.513 10.252 1.00 0.00 O ATOM 0 H SER A 27 -3.590 15.228 6.422 1.00 0.00 H new ATOM 0 HA SER A 27 -3.624 14.413 9.276 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.439 15.532 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.345 16.961 8.237 1.00 0.00 H new ATOM 0 HG SER A 27 -1.583 17.067 10.430 1.00 0.00 H new ATOM 414 N ASP A 28 -4.911 17.214 8.897 1.00 0.00 N ATOM 415 CA ASP A 28 -6.160 17.945 9.121 1.00 0.00 C ATOM 416 C ASP A 28 -6.718 18.519 7.841 1.00 0.00 C ATOM 417 O ASP A 28 -7.948 18.695 7.701 1.00 0.00 O ATOM 418 CB ASP A 28 -5.940 19.045 10.194 1.00 0.00 C ATOM 419 CG ASP A 28 -5.117 20.269 9.766 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.282 20.005 8.716 1.00 0.00 O ATOM 421 OD2 ASP A 28 -5.209 21.359 10.311 1.00 0.00 O ATOM 0 H ASP A 28 -4.070 17.781 9.003 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.906 17.241 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.917 19.392 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.450 18.589 11.054 1.00 0.00 H new ATOM 426 N ASP A 29 -5.872 18.808 6.872 1.00 0.00 N ATOM 427 CA ASP A 29 -6.308 19.510 5.658 1.00 0.00 C ATOM 428 C ASP A 29 -6.769 18.572 4.562 1.00 0.00 C ATOM 429 O ASP A 29 -7.606 18.921 3.717 1.00 0.00 O ATOM 430 CB ASP A 29 -5.177 20.449 5.164 1.00 0.00 C ATOM 431 CG ASP A 29 -4.884 21.687 6.025 1.00 0.00 C ATOM 432 OD1 ASP A 29 -5.750 22.292 6.639 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.560 22.028 6.029 1.00 0.00 O ATOM 0 H ASP A 29 -4.880 18.573 6.891 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.182 20.106 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.260 19.865 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.429 20.786 4.158 1.00 0.00 H new ATOM 438 N ILE A 30 -6.245 17.362 4.572 1.00 0.00 N ATOM 439 CA ILE A 30 -6.563 16.374 3.543 1.00 0.00 C ATOM 440 C ILE A 30 -7.799 15.589 3.916 1.00 0.00 C ATOM 441 O ILE A 30 -8.203 15.545 5.094 1.00 0.00 O ATOM 442 CB ILE A 30 -5.322 15.439 3.244 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.237 16.079 2.318 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.733 14.064 2.631 1.00 0.00 C ATOM 445 CD1 ILE A 30 -2.900 15.317 2.220 1.00 0.00 C ATOM 0 H ILE A 30 -5.593 17.032 5.283 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.787 16.902 2.616 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.884 15.291 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.653 16.174 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.032 17.088 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.840 13.466 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.386 13.537 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.260 14.228 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.225 15.852 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.449 15.244 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.080 14.316 1.829 1.00 0.00 H new ATOM 457 N ASP A 31 -8.420 14.936 2.950 1.00 0.00 N ATOM 458 CA ASP A 31 -9.706 14.278 3.181 1.00 0.00 C ATOM 459 C ASP A 31 -9.928 13.059 2.314 1.00 0.00 C ATOM 460 O ASP A 31 -10.530 12.058 2.793 1.00 0.00 O ATOM 461 CB ASP A 31 -10.857 15.307 3.003 1.00 0.00 C ATOM 462 CG ASP A 31 -11.875 15.403 4.149 1.00 0.00 C ATOM 463 OD1 ASP A 31 -12.661 14.290 4.255 1.00 0.00 O ATOM 464 OD2 ASP A 31 -11.976 16.385 4.870 1.00 0.00 O ATOM 0 H ASP A 31 -8.061 14.844 2.000 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.696 13.907 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.414 16.292 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.396 15.061 2.088 1.00 0.00 H new ATOM 469 N ASP A 32 -9.495 13.039 1.070 1.00 0.00 N ATOM 470 CA ASP A 32 -9.849 11.959 0.141 1.00 0.00 C ATOM 471 C ASP A 32 -8.714 10.980 -0.049 1.00 0.00 C ATOM 472 O ASP A 32 -7.532 11.265 0.186 1.00 0.00 O ATOM 473 CB ASP A 32 -10.321 12.562 -1.208 1.00 0.00 C ATOM 474 CG ASP A 32 -11.457 13.595 -1.136 1.00 0.00 C ATOM 475 OD1 ASP A 32 -11.665 14.286 -0.149 1.00 0.00 O ATOM 476 OD2 ASP A 32 -12.212 13.634 -2.274 1.00 0.00 O ATOM 0 H ASP A 32 -8.894 13.758 0.667 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.671 11.390 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.464 13.031 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.643 11.745 -1.853 1.00 0.00 H new ATOM 481 N ILE A 33 -9.067 9.785 -0.493 1.00 0.00 N ATOM 482 CA ILE A 33 -8.105 8.752 -0.861 1.00 0.00 C ATOM 483 C ILE A 33 -8.558 8.020 -2.103 1.00 0.00 C ATOM 484 O ILE A 33 -9.762 8.032 -2.443 1.00 0.00 O ATOM 485 CB ILE A 33 -7.844 7.754 0.341 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.439 8.438 1.686 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.772 6.671 0.007 1.00 0.00 C ATOM 488 CD1 ILE A 33 -8.068 7.840 2.961 1.00 0.00 C ATOM 0 H ILE A 33 -10.039 9.499 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.156 9.238 -1.087 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.819 7.288 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.354 8.391 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.709 9.493 1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.636 6.016 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.104 6.082 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.826 7.157 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.717 8.392 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.154 7.911 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.778 6.793 3.053 1.00 0.00 H new ATOM 500 N LYS A 34 -7.645 7.395 -2.823 1.00 0.00 N ATOM 501 CA LYS A 34 -8.026 6.544 -3.951 1.00 0.00 C ATOM 502 C LYS A 34 -6.945 5.546 -4.306 1.00 0.00 C ATOM 503 O LYS A 34 -5.736 5.811 -4.285 1.00 0.00 O ATOM 504 CB LYS A 34 -8.374 7.429 -5.180 1.00 0.00 C ATOM 505 CG LYS A 34 -8.933 6.614 -6.378 1.00 0.00 C ATOM 506 CD LYS A 34 -8.850 7.323 -7.732 1.00 0.00 C ATOM 507 CE LYS A 34 -9.956 8.384 -7.815 1.00 0.00 C ATOM 508 NZ LYS A 34 -11.173 7.871 -7.161 1.00 0.00 N ATOM 0 H LYS A 34 -6.641 7.455 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.903 5.970 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.108 8.179 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.480 7.966 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.389 5.672 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.975 6.367 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.872 7.790 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.961 6.601 -8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.630 9.305 -7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.164 8.628 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.977 8.491 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.371 6.908 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.032 7.851 -6.131 1.00 0.00 H new ATOM 522 N TRP A 35 -7.389 4.348 -4.647 1.00 0.00 N ATOM 523 CA TRP A 35 -6.537 3.287 -5.173 1.00 0.00 C ATOM 524 C TRP A 35 -7.183 2.659 -6.389 1.00 0.00 C ATOM 525 O TRP A 35 -8.317 2.152 -6.317 1.00 0.00 O ATOM 526 CB TRP A 35 -6.322 2.203 -4.084 1.00 0.00 C ATOM 527 CG TRP A 35 -5.152 2.440 -3.125 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.226 3.118 -1.890 1.00 0.00 C ATOM 529 CD2 TRP A 35 -3.860 1.967 -3.223 1.00 0.00 C ATOM 530 NE1 TRP A 35 -3.999 3.069 -1.199 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.170 2.348 -2.045 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.200 1.231 -4.242 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -1.826 1.958 -1.856 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -1.894 0.800 -4.001 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.217 1.157 -2.825 1.00 0.00 C ATOM 0 H TRP A 35 -8.369 4.077 -4.566 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.575 3.713 -5.459 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.236 2.119 -3.497 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.172 1.243 -4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.112 3.613 -1.521 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.773 3.470 -0.289 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.694 1.011 -5.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.280 2.273 -0.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.396 0.181 -4.733 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.208 0.807 -2.666 1.00 0.00 H new ATOM 546 N GLU A 36 -6.508 2.702 -7.520 1.00 0.00 N ATOM 547 CA GLU A 36 -7.082 2.210 -8.771 1.00 0.00 C ATOM 548 C GLU A 36 -6.557 0.831 -9.093 1.00 0.00 C ATOM 549 O GLU A 36 -5.424 0.466 -8.740 1.00 0.00 O ATOM 550 CB GLU A 36 -6.751 3.227 -9.899 1.00 0.00 C ATOM 551 CG GLU A 36 -7.464 4.620 -9.834 1.00 0.00 C ATOM 552 CD GLU A 36 -8.117 5.164 -11.107 1.00 0.00 C ATOM 553 OE1 GLU A 36 -9.246 4.853 -11.461 1.00 0.00 O ATOM 554 OE2 GLU A 36 -7.325 6.025 -11.804 1.00 0.00 O ATOM 0 H GLU A 36 -5.561 3.071 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.164 2.122 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.674 3.397 -9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.998 2.765 -10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.234 4.563 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.731 5.353 -9.498 1.00 0.00 H new ATOM 561 N LYS A 37 -7.358 0.046 -9.789 1.00 0.00 N ATOM 562 CA LYS A 37 -6.930 -1.287 -10.219 1.00 0.00 C ATOM 563 C LYS A 37 -6.563 -1.263 -11.683 1.00 0.00 C ATOM 564 O LYS A 37 -7.206 -0.548 -12.482 1.00 0.00 O ATOM 565 CB LYS A 37 -8.053 -2.322 -9.938 1.00 0.00 C ATOM 566 CG LYS A 37 -8.894 -2.671 -11.193 1.00 0.00 C ATOM 567 CD LYS A 37 -10.080 -3.607 -10.941 1.00 0.00 C ATOM 568 CE LYS A 37 -9.659 -4.713 -9.965 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.217 -6.001 -10.414 1.00 0.00 N ATOM 0 H LYS A 37 -8.305 0.299 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.047 -1.584 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.606 -3.235 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.713 -1.930 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.268 -1.745 -11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.239 -3.131 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.920 -3.046 -10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.418 -4.045 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.572 -4.773 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.013 -4.481 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.932 -6.752 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.255 -5.939 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.858 -6.222 -11.365 1.00 0.00 H new ATOM 583 N THR A 38 -5.574 -2.033 -12.094 1.00 0.00 N ATOM 584 CA THR A 38 -5.046 -1.919 -13.458 1.00 0.00 C ATOM 585 C THR A 38 -5.963 -2.565 -14.467 1.00 0.00 C ATOM 586 O THR A 38 -6.118 -2.080 -15.604 1.00 0.00 O ATOM 587 CB THR A 38 -3.604 -2.523 -13.560 1.00 0.00 C ATOM 588 OG1 THR A 38 -3.523 -3.757 -12.860 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.470 -1.653 -12.973 1.00 0.00 C ATOM 0 H THR A 38 -5.118 -2.740 -11.517 1.00 0.00 H new ATOM 0 HA THR A 38 -4.990 -0.856 -13.692 1.00 0.00 H new ATOM 0 HB THR A 38 -3.455 -2.615 -14.636 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.488 -3.585 -11.896 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.516 -2.166 -13.097 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.438 -0.697 -13.495 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.655 -1.482 -11.913 1.00 0.00 H new ATOM 597 N SER A 39 -6.575 -3.675 -14.101 1.00 0.00 N ATOM 598 CA SER A 39 -7.378 -4.459 -15.037 1.00 0.00 C ATOM 599 C SER A 39 -8.439 -3.606 -15.692 1.00 0.00 C ATOM 600 O SER A 39 -8.429 -3.368 -16.909 1.00 0.00 O ATOM 601 CB SER A 39 -7.996 -5.695 -14.336 1.00 0.00 C ATOM 602 OG SER A 39 -7.405 -6.928 -14.761 1.00 0.00 O ATOM 0 H SER A 39 -6.534 -4.061 -13.158 1.00 0.00 H new ATOM 0 HA SER A 39 -6.718 -4.822 -15.825 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.876 -5.593 -13.257 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.067 -5.723 -14.536 1.00 0.00 H new ATOM 0 HG SER A 39 -7.829 -7.674 -14.288 1.00 0.00 H new ATOM 608 N ASP A 40 -9.367 -3.118 -14.892 1.00 0.00 N ATOM 609 CA ASP A 40 -10.455 -2.280 -15.390 1.00 0.00 C ATOM 610 C ASP A 40 -10.107 -0.809 -15.355 1.00 0.00 C ATOM 611 O ASP A 40 -10.832 0.023 -15.954 1.00 0.00 O ATOM 612 CB ASP A 40 -11.756 -2.574 -14.595 1.00 0.00 C ATOM 613 CG ASP A 40 -13.056 -2.656 -15.409 1.00 0.00 C ATOM 614 OD1 ASP A 40 -12.981 -3.553 -16.437 1.00 0.00 O ATOM 615 OD2 ASP A 40 -14.038 -1.971 -15.166 1.00 0.00 O ATOM 0 H ASP A 40 -9.394 -3.286 -13.886 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.619 -2.531 -16.438 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.626 -3.518 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.876 -1.798 -13.839 1.00 0.00 H new ATOM 620 N LYS A 41 -9.025 -0.420 -14.709 1.00 0.00 N ATOM 621 CA LYS A 41 -8.713 0.999 -14.520 1.00 0.00 C ATOM 622 C LYS A 41 -9.828 1.690 -13.768 1.00 0.00 C ATOM 623 O LYS A 41 -10.484 2.623 -14.249 1.00 0.00 O ATOM 624 CB LYS A 41 -8.456 1.659 -15.903 1.00 0.00 C ATOM 625 CG LYS A 41 -6.950 1.731 -16.269 1.00 0.00 C ATOM 626 CD LYS A 41 -6.645 2.412 -17.607 1.00 0.00 C ATOM 627 CE LYS A 41 -7.184 3.849 -17.575 1.00 0.00 C ATOM 628 NZ LYS A 41 -6.781 4.493 -16.312 1.00 0.00 N ATOM 0 H LYS A 41 -8.342 -1.060 -14.303 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.809 1.099 -13.919 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.985 1.096 -16.672 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.873 2.666 -15.902 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.423 2.265 -15.478 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.548 0.718 -16.293 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.570 2.418 -17.789 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.104 1.856 -18.425 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.798 4.413 -18.424 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.270 3.844 -17.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.754 5.525 -16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.467 4.256 -15.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.838 4.154 -16.035 1.00 0.00 H new ATOM 642 N LYS A 42 -10.038 1.234 -12.537 1.00 0.00 N ATOM 643 CA LYS A 42 -11.170 1.705 -11.743 1.00 0.00 C ATOM 644 C LYS A 42 -10.911 1.646 -10.251 1.00 0.00 C ATOM 645 O LYS A 42 -10.539 0.620 -9.668 1.00 0.00 O ATOM 646 CB LYS A 42 -12.431 0.873 -12.107 1.00 0.00 C ATOM 647 CG LYS A 42 -13.725 1.721 -12.186 1.00 0.00 C ATOM 648 CD LYS A 42 -14.050 2.276 -13.576 1.00 0.00 C ATOM 649 CE LYS A 42 -15.170 3.319 -13.453 1.00 0.00 C ATOM 650 NZ LYS A 42 -15.761 3.562 -14.781 1.00 0.00 N ATOM 0 H LYS A 42 -9.447 0.546 -12.071 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.328 2.756 -11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.268 0.381 -13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.565 0.087 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.563 1.110 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.638 2.555 -11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.162 2.729 -14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.359 1.469 -14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.935 2.967 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.773 4.248 -13.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.520 4.268 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.027 3.915 -15.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.153 2.674 -15.154 1.00 0.00 H new ATOM 664 N LYS A 43 -11.143 2.772 -9.591 1.00 0.00 N ATOM 665 CA LYS A 43 -10.975 2.925 -8.151 1.00 0.00 C ATOM 666 C LYS A 43 -11.601 1.792 -7.371 1.00 0.00 C ATOM 667 O LYS A 43 -12.811 1.778 -7.097 1.00 0.00 O ATOM 668 CB LYS A 43 -11.594 4.286 -7.709 1.00 0.00 C ATOM 669 CG LYS A 43 -12.873 4.653 -8.504 1.00 0.00 C ATOM 670 CD LYS A 43 -13.901 5.488 -7.735 1.00 0.00 C ATOM 671 CE LYS A 43 -15.297 5.234 -8.319 1.00 0.00 C ATOM 672 NZ LYS A 43 -15.716 6.400 -9.117 1.00 0.00 N ATOM 0 H LYS A 43 -11.461 3.625 -10.052 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.907 2.904 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.833 4.243 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.853 5.075 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.580 5.201 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.352 3.732 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.883 5.225 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.652 6.547 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.285 4.339 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.012 5.054 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.662 6.228 -9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.743 7.244 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.039 6.552 -9.892 1.00 0.00 H new ATOM 686 N ILE A 44 -10.788 0.827 -6.984 1.00 0.00 N ATOM 687 CA ILE A 44 -11.217 -0.241 -6.086 1.00 0.00 C ATOM 688 C ILE A 44 -11.495 0.287 -4.697 1.00 0.00 C ATOM 689 O ILE A 44 -12.311 -0.279 -3.944 1.00 0.00 O ATOM 690 CB ILE A 44 -10.170 -1.430 -6.061 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.746 -1.036 -5.554 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.015 -2.128 -7.447 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.563 -1.572 -6.387 1.00 0.00 C ATOM 0 H ILE A 44 -9.814 0.757 -7.279 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.153 -0.642 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.606 -2.121 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.680 0.052 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.635 -1.391 -4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.285 -2.934 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.976 -2.538 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.675 -1.401 -8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.625 -1.237 -5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.590 -2.662 -6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.637 -1.196 -7.407 1.00 0.00 H new ATOM 705 N ALA A 45 -10.827 1.355 -4.303 1.00 0.00 N ATOM 706 CA ALA A 45 -10.983 1.916 -2.961 1.00 0.00 C ATOM 707 C ALA A 45 -10.887 3.423 -2.996 1.00 0.00 C ATOM 708 O ALA A 45 -10.122 3.988 -3.811 1.00 0.00 O ATOM 709 CB ALA A 45 -9.918 1.270 -2.058 1.00 0.00 C ATOM 0 H ALA A 45 -10.165 1.859 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.970 1.694 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.008 1.668 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.065 0.190 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.925 1.493 -2.449 1.00 0.00 H new ATOM 715 N GLN A 46 -11.614 4.113 -2.132 1.00 0.00 N ATOM 716 CA GLN A 46 -11.553 5.579 -2.106 1.00 0.00 C ATOM 717 C GLN A 46 -12.228 6.173 -0.890 1.00 0.00 C ATOM 718 O GLN A 46 -13.083 5.576 -0.223 1.00 0.00 O ATOM 719 CB GLN A 46 -12.200 6.109 -3.404 1.00 0.00 C ATOM 720 CG GLN A 46 -12.764 7.567 -3.358 1.00 0.00 C ATOM 721 CD GLN A 46 -13.948 7.938 -4.261 1.00 0.00 C ATOM 722 OE1 GLN A 46 -13.904 7.665 -5.540 1.00 0.00 O flip ATOM 723 NE2 GLN A 46 -14.950 8.465 -3.804 1.00 0.00 N flip ATOM 0 H GLN A 46 -12.245 3.697 -1.447 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.508 5.882 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.459 6.055 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.013 5.437 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.058 7.773 -2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.944 8.244 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.002 8.685 -2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.735 8.685 -4.417 1.00 0.00 H new ATOM 732 N PHE A 47 -11.854 7.409 -0.592 1.00 0.00 N ATOM 733 CA PHE A 47 -12.456 8.200 0.477 1.00 0.00 C ATOM 734 C PHE A 47 -12.993 9.507 -0.059 1.00 0.00 C ATOM 735 O PHE A 47 -12.319 10.208 -0.839 1.00 0.00 O ATOM 736 CB PHE A 47 -11.387 8.510 1.571 1.00 0.00 C ATOM 737 CG PHE A 47 -11.858 8.490 3.034 1.00 0.00 C ATOM 738 CD1 PHE A 47 -12.792 7.536 3.452 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.315 9.377 3.969 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.190 7.479 4.783 1.00 0.00 C ATOM 741 CE2 PHE A 47 -11.708 9.313 5.303 1.00 0.00 C ATOM 742 CZ PHE A 47 -12.651 8.370 5.708 1.00 0.00 C ATOM 0 H PHE A 47 -11.113 7.900 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.277 7.623 0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.577 7.789 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.966 9.494 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.206 6.840 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.589 10.113 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.916 6.745 5.099 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.282 9.994 6.024 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.964 8.330 6.741 1.00 0.00 H new ATOM 752 N ARG A 48 -14.198 9.877 0.332 1.00 0.00 N ATOM 753 CA ARG A 48 -14.781 11.153 -0.082 1.00 0.00 C ATOM 754 C ARG A 48 -16.023 11.480 0.715 1.00 0.00 C ATOM 755 O ARG A 48 -16.982 10.699 0.785 1.00 0.00 O ATOM 756 CB ARG A 48 -15.088 11.092 -1.604 1.00 0.00 C ATOM 757 CG ARG A 48 -15.840 12.326 -2.172 1.00 0.00 C ATOM 758 CD ARG A 48 -15.589 12.530 -3.672 1.00 0.00 C ATOM 759 NE ARG A 48 -15.593 13.988 -3.954 1.00 0.00 N ATOM 760 CZ ARG A 48 -16.662 14.711 -4.262 1.00 0.00 C ATOM 761 NH1 ARG A 48 -17.868 14.235 -4.354 1.00 0.00 N ATOM 762 NH2 ARG A 48 -16.486 15.965 -4.485 1.00 0.00 N ATOM 0 H ARG A 48 -14.798 9.316 0.937 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.067 11.953 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.148 10.978 -2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.682 10.200 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.910 12.206 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.527 13.219 -1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.634 12.091 -3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.360 12.028 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.698 14.475 -3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.039 13.244 -4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.643 14.853 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.551 16.368 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.281 16.557 -4.725 1.00 0.00 H new ATOM 776 N LYS A 49 -16.029 12.659 1.312 1.00 0.00 N ATOM 777 CA LYS A 49 -17.150 13.122 2.124 1.00 0.00 C ATOM 778 C LYS A 49 -17.258 12.325 3.402 1.00 0.00 C ATOM 779 O LYS A 49 -17.011 11.110 3.442 1.00 0.00 O ATOM 780 CB LYS A 49 -18.465 13.031 1.301 1.00 0.00 C ATOM 781 CG LYS A 49 -19.494 14.132 1.666 1.00 0.00 C ATOM 782 CD LYS A 49 -20.948 13.800 1.323 1.00 0.00 C ATOM 783 CE LYS A 49 -21.872 14.421 2.379 1.00 0.00 C ATOM 784 NZ LYS A 49 -22.258 15.779 1.957 1.00 0.00 N ATOM 0 H LYS A 49 -15.259 13.325 1.250 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.978 14.162 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.227 13.103 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.918 12.053 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.426 14.332 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.216 15.052 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -21.197 14.184 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.089 12.720 1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -22.760 13.803 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.366 14.459 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.884 16.200 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.406 16.366 1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.757 15.731 1.046 1.00 0.00 H new ATOM 798 N GLU A 50 -17.612 12.999 4.480 1.00 0.00 N ATOM 799 CA GLU A 50 -17.776 12.355 5.780 1.00 0.00 C ATOM 800 C GLU A 50 -19.193 11.878 5.991 1.00 0.00 C ATOM 801 O GLU A 50 -19.733 11.950 7.117 1.00 0.00 O ATOM 802 CB GLU A 50 -17.360 13.369 6.885 1.00 0.00 C ATOM 803 CG GLU A 50 -17.101 12.800 8.318 1.00 0.00 C ATOM 804 CD GLU A 50 -18.154 13.049 9.401 1.00 0.00 C ATOM 805 OE1 GLU A 50 -18.861 14.048 9.425 1.00 0.00 O ATOM 806 OE2 GLU A 50 -18.228 12.058 10.332 1.00 0.00 O ATOM 0 H GLU A 50 -17.794 14.003 4.485 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.140 11.471 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.453 13.876 6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.140 14.127 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.966 11.722 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.156 13.211 8.673 1.00 0.00 H new ATOM 813 N LYS A 51 -19.845 11.389 4.955 1.00 0.00 N ATOM 814 CA LYS A 51 -21.178 10.767 5.064 1.00 0.00 C ATOM 815 C LYS A 51 -21.239 9.311 4.602 1.00 0.00 C ATOM 816 O LYS A 51 -22.225 8.596 4.807 1.00 0.00 O ATOM 817 CB LYS A 51 -22.170 11.605 4.211 1.00 0.00 C ATOM 818 CG LYS A 51 -23.535 11.856 4.895 1.00 0.00 C ATOM 819 CD LYS A 51 -24.720 12.018 3.938 1.00 0.00 C ATOM 820 CE LYS A 51 -25.942 11.295 4.520 1.00 0.00 C ATOM 821 NZ LYS A 51 -26.192 10.061 3.755 1.00 0.00 N ATOM 0 H LYS A 51 -19.476 11.405 4.004 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.436 10.757 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.710 12.565 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.339 11.094 3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.744 11.026 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.457 12.754 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.943 13.075 3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.471 11.607 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.771 11.057 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -26.816 11.945 4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.020 9.570 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.373 10.300 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.360 9.440 3.816 1.00 0.00 H new ATOM 835 N GLU A 52 -20.145 8.889 3.997 1.00 0.00 N ATOM 836 CA GLU A 52 -20.041 7.558 3.411 1.00 0.00 C ATOM 837 C GLU A 52 -18.759 7.413 2.623 1.00 0.00 C ATOM 838 O GLU A 52 -18.229 8.382 2.055 1.00 0.00 O ATOM 839 CB GLU A 52 -21.286 7.315 2.512 1.00 0.00 C ATOM 840 CG GLU A 52 -21.406 5.922 1.810 1.00 0.00 C ATOM 841 CD GLU A 52 -22.520 4.975 2.261 1.00 0.00 C ATOM 842 OE1 GLU A 52 -22.253 4.333 3.432 1.00 0.00 O ATOM 843 OE2 GLU A 52 -23.553 4.811 1.625 1.00 0.00 O ATOM 0 H GLU A 52 -19.302 9.455 3.896 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.014 6.809 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.177 7.462 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.299 8.084 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.532 6.098 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.456 5.403 1.938 1.00 0.00 H new ATOM 850 N THR A 53 -18.244 6.199 2.553 1.00 0.00 N ATOM 851 CA THR A 53 -16.950 5.937 1.928 1.00 0.00 C ATOM 852 C THR A 53 -17.044 4.793 0.945 1.00 0.00 C ATOM 853 O THR A 53 -18.136 4.303 0.618 1.00 0.00 O ATOM 854 CB THR A 53 -15.864 5.645 3.017 1.00 0.00 C ATOM 855 OG1 THR A 53 -15.673 4.244 3.168 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.173 6.148 4.444 1.00 0.00 C ATOM 0 H THR A 53 -18.704 5.368 2.924 1.00 0.00 H new ATOM 0 HA THR A 53 -16.653 6.829 1.376 1.00 0.00 H new ATOM 0 HB THR A 53 -14.997 6.185 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.804 4.076 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.349 5.887 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.298 7.231 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.090 5.682 4.804 1.00 0.00 H new ATOM 864 N PHE A 54 -15.905 4.357 0.438 1.00 0.00 N ATOM 865 CA PHE A 54 -15.855 3.246 -0.511 1.00 0.00 C ATOM 866 C PHE A 54 -14.889 2.176 -0.052 1.00 0.00 C ATOM 867 O PHE A 54 -13.679 2.226 -0.321 1.00 0.00 O ATOM 868 CB PHE A 54 -15.404 3.755 -1.913 1.00 0.00 C ATOM 869 CG PHE A 54 -15.578 2.775 -3.085 1.00 0.00 C ATOM 870 CD1 PHE A 54 -16.803 2.714 -3.760 1.00 0.00 C ATOM 871 CD2 PHE A 54 -14.520 1.965 -3.504 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.976 1.833 -4.822 1.00 0.00 C ATOM 873 CE2 PHE A 54 -14.691 1.092 -4.576 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.920 1.021 -5.230 1.00 0.00 C ATOM 0 H PHE A 54 -14.994 4.755 0.666 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.857 2.821 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.961 4.664 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.352 4.033 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.617 3.354 -3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.568 2.016 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.928 1.778 -5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.870 0.469 -4.901 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.054 0.336 -6.054 1.00 0.00 H new ATOM 884 N LYS A 55 -15.421 1.180 0.630 1.00 0.00 N ATOM 885 CA LYS A 55 -14.667 -0.003 1.036 1.00 0.00 C ATOM 886 C LYS A 55 -15.602 -1.154 1.334 1.00 0.00 C ATOM 887 O LYS A 55 -15.664 -1.683 2.453 1.00 0.00 O ATOM 888 CB LYS A 55 -13.793 0.337 2.274 1.00 0.00 C ATOM 889 CG LYS A 55 -14.581 1.036 3.412 1.00 0.00 C ATOM 890 CD LYS A 55 -13.716 1.617 4.534 1.00 0.00 C ATOM 891 CE LYS A 55 -14.625 2.206 5.621 1.00 0.00 C ATOM 892 NZ LYS A 55 -14.952 1.160 6.606 1.00 0.00 N ATOM 0 H LYS A 55 -16.398 1.164 0.923 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.014 -0.309 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.350 -0.581 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.971 0.981 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.178 1.839 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.278 0.319 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.079 0.840 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.056 2.389 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.127 3.042 6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.538 2.598 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.568 1.558 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.443 0.376 6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.076 0.806 7.041 1.00 0.00 H new ATOM 906 N GLU A 56 -16.333 -1.578 0.319 1.00 0.00 N ATOM 907 CA GLU A 56 -17.396 -2.570 0.470 1.00 0.00 C ATOM 908 C GLU A 56 -16.910 -3.854 1.103 1.00 0.00 C ATOM 909 O GLU A 56 -17.701 -4.583 1.744 1.00 0.00 O ATOM 910 CB GLU A 56 -18.009 -2.846 -0.933 1.00 0.00 C ATOM 911 CG GLU A 56 -17.052 -2.747 -2.167 1.00 0.00 C ATOM 912 CD GLU A 56 -17.541 -3.287 -3.512 1.00 0.00 C ATOM 913 OE1 GLU A 56 -17.508 -4.475 -3.805 1.00 0.00 O ATOM 914 OE2 GLU A 56 -18.015 -2.324 -4.350 1.00 0.00 O ATOM 0 H GLU A 56 -16.210 -1.247 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.151 -2.169 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.441 -3.846 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.830 -2.146 -1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.795 -1.697 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.130 -3.270 -1.915 1.00 0.00 H new ATOM 921 N LYS A 57 -15.642 -4.187 0.965 1.00 0.00 N ATOM 922 CA LYS A 57 -15.129 -5.479 1.418 1.00 0.00 C ATOM 923 C LYS A 57 -13.684 -5.375 1.850 1.00 0.00 C ATOM 924 O LYS A 57 -12.993 -4.378 1.601 1.00 0.00 O ATOM 925 CB LYS A 57 -15.286 -6.533 0.286 1.00 0.00 C ATOM 926 CG LYS A 57 -16.560 -6.364 -0.582 1.00 0.00 C ATOM 927 CD LYS A 57 -17.840 -6.935 0.035 1.00 0.00 C ATOM 928 CE LYS A 57 -17.999 -8.399 -0.399 1.00 0.00 C ATOM 929 NZ LYS A 57 -19.236 -8.952 0.180 1.00 0.00 N ATOM 0 H LYS A 57 -14.939 -3.582 0.541 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.710 -5.795 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.411 -6.483 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.296 -7.527 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.711 -5.302 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.392 -6.845 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.795 -6.868 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.704 -6.352 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.033 -8.465 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.139 -8.982 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.344 -9.944 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.186 -8.902 1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.052 -8.401 -0.154 1.00 0.00 H new ATOM 943 N ASP A 58 -13.202 -6.419 2.502 1.00 0.00 N ATOM 944 CA ASP A 58 -11.809 -6.475 2.943 1.00 0.00 C ATOM 945 C ASP A 58 -10.876 -6.982 1.865 1.00 0.00 C ATOM 946 O ASP A 58 -9.638 -6.899 1.996 1.00 0.00 O ATOM 947 CB ASP A 58 -11.697 -7.330 4.235 1.00 0.00 C ATOM 948 CG ASP A 58 -12.761 -7.090 5.315 1.00 0.00 C ATOM 949 OD1 ASP A 58 -12.423 -6.082 6.176 1.00 0.00 O ATOM 950 OD2 ASP A 58 -13.792 -7.740 5.395 1.00 0.00 O ATOM 0 H ASP A 58 -13.752 -7.244 2.741 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.491 -5.456 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.732 -8.382 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.717 -7.151 4.677 1.00 0.00 H new ATOM 955 N THR A 59 -11.416 -7.501 0.780 1.00 0.00 N ATOM 956 CA THR A 59 -10.607 -7.886 -0.374 1.00 0.00 C ATOM 957 C THR A 59 -9.961 -6.678 -1.006 1.00 0.00 C ATOM 958 O THR A 59 -8.984 -6.786 -1.767 1.00 0.00 O ATOM 959 CB THR A 59 -11.469 -8.655 -1.438 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.647 -9.104 -2.509 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.600 -7.857 -2.121 1.00 0.00 C ATOM 0 H THR A 59 -12.416 -7.669 0.667 1.00 0.00 H new ATOM 0 HA THR A 59 -9.823 -8.554 -0.018 1.00 0.00 H new ATOM 0 HB THR A 59 -11.921 -9.449 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.196 -9.583 -3.164 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.120 -8.499 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.305 -7.506 -1.367 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.176 -7.002 -2.647 1.00 0.00 H new ATOM 969 N TYR A 60 -10.518 -5.508 -0.758 1.00 0.00 N ATOM 970 CA TYR A 60 -9.893 -4.253 -1.172 1.00 0.00 C ATOM 971 C TYR A 60 -10.256 -3.135 -0.222 1.00 0.00 C ATOM 972 O TYR A 60 -11.298 -2.471 -0.372 1.00 0.00 O ATOM 973 CB TYR A 60 -10.353 -3.850 -2.603 1.00 0.00 C ATOM 974 CG TYR A 60 -9.572 -4.474 -3.769 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.259 -4.063 -4.019 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.154 -5.457 -4.574 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.533 -4.635 -5.060 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.422 -6.032 -5.612 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.113 -5.624 -5.851 1.00 0.00 C ATOM 980 OH TYR A 60 -7.396 -6.191 -6.867 1.00 0.00 O ATOM 0 H TYR A 60 -11.406 -5.394 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.814 -4.410 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.404 -4.118 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.290 -2.765 -2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.807 -3.300 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.171 -5.771 -4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.521 -4.312 -5.254 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.871 -6.795 -6.231 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.946 -6.864 -7.320 1.00 0.00 H new ATOM 990 N LYS A 61 -9.435 -2.907 0.787 1.00 0.00 N ATOM 991 CA LYS A 61 -9.755 -1.952 1.848 1.00 0.00 C ATOM 992 C LYS A 61 -8.866 -0.729 1.792 1.00 0.00 C ATOM 993 O LYS A 61 -7.726 -0.752 1.308 1.00 0.00 O ATOM 994 CB LYS A 61 -9.632 -2.658 3.228 1.00 0.00 C ATOM 995 CG LYS A 61 -10.942 -2.656 4.054 1.00 0.00 C ATOM 996 CD LYS A 61 -10.758 -2.715 5.575 1.00 0.00 C ATOM 997 CE LYS A 61 -9.337 -2.264 5.940 1.00 0.00 C ATOM 998 NZ LYS A 61 -8.987 -2.776 7.278 1.00 0.00 N ATOM 0 H LYS A 61 -8.534 -3.371 0.900 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.779 -1.607 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.315 -3.689 3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.849 -2.169 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.506 -1.756 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.548 -3.507 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.491 -2.074 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.932 -3.730 5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.626 -2.632 5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.275 -1.176 5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.024 -2.471 7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.659 -2.404 7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.030 -3.815 7.274 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.376 0.371 2.319 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.652 1.638 2.395 1.00 0.00 C ATOM 1014 C LEU A 62 -8.250 1.940 3.820 1.00 0.00 C ATOM 1015 O LEU A 62 -8.954 1.553 4.778 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.515 2.790 1.806 1.00 0.00 C ATOM 1017 CG LEU A 62 -8.818 4.114 1.393 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -7.449 3.819 0.766 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -9.666 4.949 0.417 1.00 0.00 C ATOM 0 H LEU A 62 -10.316 0.415 2.712 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.742 1.553 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.029 2.400 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.281 3.036 2.541 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.692 4.702 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.970 4.756 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.823 3.297 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.580 3.195 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.131 5.864 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.852 4.372 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.616 5.203 0.887 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.150 2.641 4.020 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.716 3.029 5.362 1.00 0.00 C ATOM 1033 C PHE A 63 -6.426 4.510 5.440 1.00 0.00 C ATOM 1034 O PHE A 63 -6.525 5.253 4.453 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.427 2.246 5.763 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.538 0.714 5.795 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.364 0.032 4.899 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -4.756 -0.015 6.700 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.419 -1.359 4.917 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -4.806 -1.404 6.712 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.642 -2.077 5.824 1.00 0.00 C ATOM 0 H PHE A 63 -6.534 2.958 3.271 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.528 2.789 6.048 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.633 2.516 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.114 2.586 6.750 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.962 0.585 4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.111 0.505 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.065 -1.882 4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.197 -1.961 7.409 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.688 -3.156 5.838 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.077 4.967 6.629 1.00 0.00 N ATOM 1052 CA LYS A 64 -5.891 6.390 6.902 1.00 0.00 C ATOM 1053 C LYS A 64 -4.624 6.913 6.266 1.00 0.00 C ATOM 1054 O LYS A 64 -4.584 8.017 5.702 1.00 0.00 O ATOM 1055 CB LYS A 64 -5.869 6.625 8.438 1.00 0.00 C ATOM 1056 CG LYS A 64 -7.211 7.141 9.014 1.00 0.00 C ATOM 1057 CD LYS A 64 -8.461 6.469 8.439 1.00 0.00 C ATOM 1058 CE LYS A 64 -9.706 7.243 8.893 1.00 0.00 C ATOM 1059 NZ LYS A 64 -9.794 8.510 8.145 1.00 0.00 N ATOM 0 H LYS A 64 -5.913 4.366 7.436 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.725 6.938 6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.607 5.691 8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.084 7.343 8.675 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.204 6.999 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.278 8.214 8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.409 6.448 7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.519 5.434 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.601 6.645 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.654 7.443 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.886 9.302 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.934 8.637 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.624 8.487 7.519 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.567 6.127 6.337 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.244 6.554 5.889 1.00 0.00 C ATOM 1075 C ASN A 65 -2.029 6.294 4.416 1.00 0.00 C ATOM 1076 O ASN A 65 -0.874 6.314 3.932 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.159 5.814 6.733 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.295 4.289 6.824 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -1.509 3.600 5.838 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.204 3.694 8.030 1.00 0.00 N ATOM 0 H ASN A 65 -3.595 5.176 6.705 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.165 7.631 6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.181 6.046 6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.176 6.220 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.313 2.683 8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.026 4.255 8.863 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.078 6.033 3.660 1.00 0.00 N ATOM 1087 CA GLY A 66 -2.944 5.709 2.238 1.00 0.00 C ATOM 1088 C GLY A 66 -2.496 4.286 2.012 1.00 0.00 C ATOM 1089 O GLY A 66 -1.906 3.958 0.959 1.00 0.00 O ATOM 0 H GLY A 66 -4.039 6.037 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.900 5.869 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.227 6.390 1.779 1.00 0.00 H new ATOM 1093 N THR A 67 -2.719 3.404 2.968 1.00 0.00 N ATOM 1094 CA THR A 67 -2.448 1.979 2.782 1.00 0.00 C ATOM 1095 C THR A 67 -3.663 1.259 2.248 1.00 0.00 C ATOM 1096 O THR A 67 -4.809 1.525 2.638 1.00 0.00 O ATOM 1097 CB THR A 67 -1.975 1.330 4.127 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.591 1.578 4.338 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.113 -0.204 4.234 1.00 0.00 C ATOM 0 H THR A 67 -3.089 3.645 3.888 1.00 0.00 H new ATOM 0 HA THR A 67 -1.648 1.882 2.047 1.00 0.00 H new ATOM 0 HB THR A 67 -2.639 1.792 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.484 2.357 4.922 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.754 -0.535 5.209 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.160 -0.484 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.523 -0.678 3.450 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.429 0.323 1.348 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.478 -0.564 0.849 1.00 0.00 C ATOM 1109 C LEU A 68 -4.294 -1.960 1.400 1.00 0.00 C ATOM 1110 O LEU A 68 -3.175 -2.372 1.753 1.00 0.00 O ATOM 1111 CB LEU A 68 -4.498 -0.571 -0.705 1.00 0.00 C ATOM 1112 CG LEU A 68 -5.773 -1.089 -1.424 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -6.137 -0.257 -2.665 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.589 -2.559 -1.826 1.00 0.00 C ATOM 0 H LEU A 68 -2.510 0.151 0.939 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.442 -0.190 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.317 0.449 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.656 -1.174 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.596 -0.992 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.036 -0.666 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.318 0.776 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.315 -0.291 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.488 -2.914 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.737 -2.648 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.411 -3.160 -0.935 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.374 -2.709 1.514 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.310 -4.076 2.029 1.00 0.00 C ATOM 1128 C LYS A 69 -6.119 -5.014 1.166 1.00 0.00 C ATOM 1129 O LYS A 69 -7.356 -4.931 1.097 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.812 -4.102 3.499 1.00 0.00 C ATOM 1131 CG LYS A 69 -5.283 -5.311 4.310 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.343 -6.352 4.685 1.00 0.00 C ATOM 1133 CE LYS A 69 -7.249 -5.782 5.784 1.00 0.00 C ATOM 1134 NZ LYS A 69 -8.157 -6.838 6.267 1.00 0.00 N ATOM 0 H LYS A 69 -6.311 -2.399 1.258 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.275 -4.416 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.508 -3.180 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.902 -4.121 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.501 -5.803 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.819 -4.941 5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.936 -6.615 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.863 -7.267 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.645 -5.402 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.825 -4.941 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.806 -6.440 6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.706 -7.216 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.601 -7.604 6.698 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.442 -5.938 0.508 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.100 -6.882 -0.392 1.00 0.00 C ATOM 1150 C ILE A 70 -6.113 -8.270 0.205 1.00 0.00 C ATOM 1151 O ILE A 70 -5.108 -8.995 0.214 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.456 -6.866 -1.839 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -4.923 -5.473 -2.307 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.428 -7.403 -2.937 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -3.634 -5.496 -3.153 1.00 0.00 C ATOM 0 H ILE A 70 -4.432 -6.059 0.577 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.135 -6.562 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.601 -7.533 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.705 -4.981 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.745 -4.858 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.934 -7.369 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.705 -8.432 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.324 -6.783 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.357 -4.477 -3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.829 -5.951 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.804 -6.076 -4.060 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.266 -8.660 0.720 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.409 -9.914 1.451 1.00 0.00 C ATOM 1169 C LYS A 71 -7.758 -11.050 0.515 1.00 0.00 C ATOM 1170 O LYS A 71 -8.578 -10.904 -0.402 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.494 -9.750 2.551 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.594 -10.967 3.504 1.00 0.00 C ATOM 1173 CD LYS A 71 -9.026 -10.631 4.934 1.00 0.00 C ATOM 1174 CE LYS A 71 -10.552 -10.469 4.976 1.00 0.00 C ATOM 1175 NZ LYS A 71 -11.161 -11.712 5.483 1.00 0.00 N ATOM 0 H LYS A 71 -8.129 -8.121 0.646 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.458 -10.159 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.275 -8.857 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.462 -9.590 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.302 -11.682 3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.624 -11.463 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.713 -11.422 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.542 -9.713 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.822 -9.630 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.933 -10.244 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.195 -11.605 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.912 -12.502 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.806 -11.907 6.441 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.172 -12.204 0.773 1.00 0.00 N ATOM 1190 CA HIS A 72 -7.281 -13.353 -0.122 1.00 0.00 C ATOM 1191 C HIS A 72 -6.690 -13.037 -1.476 1.00 0.00 C ATOM 1192 O HIS A 72 -7.090 -12.098 -2.186 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.781 -13.678 -0.239 1.00 0.00 C ATOM 1194 CG HIS A 72 -9.024 -15.102 -0.647 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -8.142 -15.907 -1.363 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -10.196 -15.780 -0.341 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.870 -17.037 -1.438 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -10.100 -17.047 -0.856 1.00 0.00 N ATOM 0 H HIS A 72 -6.607 -12.377 1.605 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.728 -14.207 0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.268 -13.488 0.718 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.240 -13.010 -0.968 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.036 -15.380 0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.489 -17.911 -1.946 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.780 -17.806 -0.814 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.729 -13.841 -1.888 1.00 0.00 N ATOM 1208 CA LEU A 73 -4.937 -13.556 -3.082 1.00 0.00 C ATOM 1209 C LEU A 73 -4.706 -14.842 -3.849 1.00 0.00 C ATOM 1210 O LEU A 73 -4.962 -15.958 -3.378 1.00 0.00 O ATOM 1211 CB LEU A 73 -3.582 -12.883 -2.726 1.00 0.00 C ATOM 1212 CG LEU A 73 -3.065 -11.730 -3.628 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -3.388 -10.373 -2.988 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -1.555 -11.825 -3.905 1.00 0.00 C ATOM 0 H LEU A 73 -5.472 -14.706 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.492 -12.853 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.661 -12.498 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.819 -13.661 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.578 -11.823 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.021 -9.572 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.467 -10.275 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.906 -10.307 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.249 -10.994 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.009 -11.782 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.336 -12.767 -4.409 1.00 0.00 H new ATOM 1226 N LYS A 74 -4.312 -14.680 -5.097 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.813 -15.773 -5.921 1.00 0.00 C ATOM 1228 C LYS A 74 -2.872 -15.218 -6.985 1.00 0.00 C ATOM 1229 O LYS A 74 -2.206 -14.196 -6.773 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.914 -16.603 -6.657 1.00 0.00 C ATOM 1231 CG LYS A 74 -6.289 -16.899 -6.002 1.00 0.00 C ATOM 1232 CD LYS A 74 -7.198 -15.737 -5.612 1.00 0.00 C ATOM 1233 CE LYS A 74 -8.285 -16.248 -4.653 1.00 0.00 C ATOM 1234 NZ LYS A 74 -9.241 -17.085 -5.400 1.00 0.00 N ATOM 0 H LYS A 74 -4.328 -13.779 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.316 -16.447 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.117 -16.093 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.469 -17.567 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.848 -17.536 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.103 -17.486 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.616 -14.948 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.655 -15.302 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.832 -16.825 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.803 -15.407 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.014 -17.376 -4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.630 -16.541 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.754 -17.929 -5.763 1.00 0.00 H new ATOM 1248 N THR A 75 -2.837 -15.857 -8.135 1.00 0.00 N ATOM 1249 CA THR A 75 -2.250 -15.262 -9.333 1.00 0.00 C ATOM 1250 C THR A 75 -3.265 -14.340 -9.989 1.00 0.00 C ATOM 1251 O THR A 75 -2.959 -13.326 -10.627 1.00 0.00 O ATOM 1252 CB THR A 75 -1.745 -16.358 -10.328 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.747 -17.165 -9.716 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.086 -15.850 -11.629 1.00 0.00 C ATOM 0 H THR A 75 -3.209 -16.796 -8.273 1.00 0.00 H new ATOM 0 HA THR A 75 -1.378 -14.676 -9.044 1.00 0.00 H new ATOM 0 HB THR A 75 -2.664 -16.885 -10.584 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.443 -17.847 -10.351 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.777 -16.701 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.801 -15.246 -12.187 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.214 -15.245 -11.383 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.529 -14.698 -9.804 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.662 -13.870 -10.203 1.00 0.00 C ATOM 1264 C ASP A 76 -5.811 -12.644 -9.328 1.00 0.00 C ATOM 1265 O ASP A 76 -5.883 -11.498 -9.833 1.00 0.00 O ATOM 1266 CB ASP A 76 -6.964 -14.718 -10.212 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.479 -15.174 -11.585 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -6.787 -16.242 -12.083 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -8.409 -14.629 -12.163 1.00 0.00 O ATOM 0 H ASP A 76 -4.800 -15.580 -9.369 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.471 -13.508 -11.213 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.798 -15.604 -9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.751 -14.139 -9.728 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.886 -12.818 -8.018 1.00 0.00 N ATOM 1275 CA ASP A 77 -6.096 -11.679 -7.116 1.00 0.00 C ATOM 1276 C ASP A 77 -4.856 -10.816 -7.051 1.00 0.00 C ATOM 1277 O ASP A 77 -4.837 -9.791 -6.328 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.568 -12.114 -5.703 1.00 0.00 C ATOM 1279 CG ASP A 77 -8.087 -12.069 -5.453 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.667 -11.060 -5.083 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -8.695 -13.273 -5.673 1.00 0.00 O ATOM 0 H ASP A 77 -5.807 -13.722 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.907 -11.082 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.221 -13.131 -5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.080 -11.476 -4.966 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.793 -11.168 -7.748 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.626 -10.292 -7.872 1.00 0.00 C ATOM 1288 C GLN A 78 -2.792 -9.347 -9.037 1.00 0.00 C ATOM 1289 O GLN A 78 -3.263 -9.733 -10.123 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.361 -11.162 -8.039 1.00 0.00 C ATOM 1291 CG GLN A 78 -0.256 -10.600 -8.994 1.00 0.00 C ATOM 1292 CD GLN A 78 -0.108 -11.196 -10.400 1.00 0.00 C ATOM 1293 OE1 GLN A 78 0.873 -12.022 -10.659 1.00 0.00 O flip ATOM 1294 NE2 GLN A 78 -0.886 -10.904 -11.294 1.00 0.00 N flip ATOM 0 H GLN A 78 -3.706 -12.056 -8.242 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.527 -9.686 -6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.918 -11.314 -7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.665 -12.142 -8.407 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.434 -9.531 -9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.703 -10.712 -8.488 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.657 -10.262 -11.110 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.766 -11.302 -12.225 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.425 -8.093 -8.852 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.676 -7.065 -9.861 1.00 0.00 C ATOM 1305 C ASP A 79 -1.754 -5.882 -9.696 1.00 0.00 C ATOM 1306 O ASP A 79 -1.051 -5.726 -8.686 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.167 -6.630 -9.813 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.216 -7.740 -9.668 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.406 -8.125 -8.370 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -5.827 -8.209 -10.618 1.00 0.00 O ATOM 0 H ASP A 79 -1.951 -7.755 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.467 -7.491 -10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.290 -5.938 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.387 -6.075 -10.725 1.00 0.00 H new ATOM 1315 N ILE A 80 -1.726 -5.025 -10.700 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.009 -3.756 -10.608 1.00 0.00 C ATOM 1317 C ILE A 80 -1.942 -2.667 -10.125 1.00 0.00 C ATOM 1318 O ILE A 80 -3.142 -2.651 -10.453 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.290 -3.402 -11.974 1.00 0.00 C ATOM 1320 CG1 ILE A 80 0.904 -4.340 -12.346 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.222 -1.929 -12.025 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.732 -5.174 -13.633 1.00 0.00 C ATOM 0 H ILE A 80 -2.192 -5.181 -11.594 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.213 -3.847 -9.869 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.082 -3.552 -12.708 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.801 -3.730 -12.449 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.077 -5.023 -11.514 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.706 -1.745 -12.984 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.620 -1.247 -11.906 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.938 -1.765 -11.220 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.620 -5.786 -13.791 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.141 -5.819 -13.534 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.595 -4.506 -14.484 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.437 -1.754 -9.320 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.264 -0.754 -8.646 1.00 0.00 C ATOM 1336 C TYR A 81 -1.648 0.619 -8.763 1.00 0.00 C ATOM 1337 O TYR A 81 -0.505 0.790 -9.212 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.413 -1.113 -7.134 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.038 -2.481 -6.833 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.218 -3.608 -6.734 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.415 -2.608 -6.644 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -2.771 -4.851 -6.437 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -4.965 -3.851 -6.338 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.142 -4.969 -6.232 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.687 -6.185 -5.933 1.00 0.00 O ATOM 0 H TYR A 81 -0.442 -1.678 -9.110 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.243 -0.749 -9.125 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.427 -1.075 -6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.019 -0.344 -6.655 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.153 -3.515 -6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.054 -1.742 -6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.137 -5.722 -6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.029 -3.947 -6.183 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.627 -6.199 -6.210 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.409 1.629 -8.384 1.00 0.00 N ATOM 1356 CA LYS A 82 -1.902 2.997 -8.322 1.00 0.00 C ATOM 1357 C LYS A 82 -2.593 3.776 -7.229 1.00 0.00 C ATOM 1358 O LYS A 82 -3.829 3.816 -7.134 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.094 3.685 -9.701 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.491 5.111 -9.764 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.083 6.020 -10.845 1.00 0.00 C ATOM 1362 CE LYS A 82 -3.615 5.932 -10.801 1.00 0.00 C ATOM 1363 NZ LYS A 82 -4.086 5.050 -11.884 1.00 0.00 N ATOM 0 H LYS A 82 -3.387 1.532 -8.112 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.838 2.972 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.634 3.069 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.159 3.738 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.628 5.589 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.417 5.027 -9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.762 7.049 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.718 5.720 -11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.940 5.546 -9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.051 6.925 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.011 4.649 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.177 5.598 -12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.402 4.279 -12.026 1.00 0.00 H new ATOM 1377 N VAL A 83 -1.808 4.396 -6.366 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.350 5.073 -5.191 1.00 0.00 C ATOM 1379 C VAL A 83 -2.332 6.574 -5.377 1.00 0.00 C ATOM 1380 O VAL A 83 -1.281 7.221 -5.474 1.00 0.00 O ATOM 1381 CB VAL A 83 -1.538 4.650 -3.902 1.00 0.00 C ATOM 1382 CG1 VAL A 83 0.006 4.807 -3.977 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -1.963 5.401 -2.617 1.00 0.00 C ATOM 0 H VAL A 83 -0.793 4.447 -6.453 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.389 4.770 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.793 3.591 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.451 4.486 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.395 4.194 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.257 5.852 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.360 5.055 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.813 6.472 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.016 5.206 -2.413 1.00 0.00 H new ATOM 1393 N SER A 84 -3.516 7.158 -5.407 1.00 0.00 N ATOM 1394 CA SER A 84 -3.702 8.602 -5.508 1.00 0.00 C ATOM 1395 C SER A 84 -4.577 9.093 -4.377 1.00 0.00 C ATOM 1396 O SER A 84 -5.731 8.661 -4.221 1.00 0.00 O ATOM 1397 CB SER A 84 -4.274 8.989 -6.895 1.00 0.00 C ATOM 1398 OG SER A 84 -5.092 7.962 -7.466 1.00 0.00 O ATOM 0 H SER A 84 -4.392 6.638 -5.361 1.00 0.00 H new ATOM 0 HA SER A 84 -2.733 9.092 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.861 9.902 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.450 9.210 -7.574 1.00 0.00 H new ATOM 0 HG SER A 84 -5.428 8.258 -8.338 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.045 9.978 -3.556 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.749 10.402 -2.341 1.00 0.00 C ATOM 1406 C ILE A 85 -4.874 11.907 -2.322 1.00 0.00 C ATOM 1407 O ILE A 85 -3.853 12.622 -2.505 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.063 9.794 -1.049 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.342 8.418 -1.281 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.057 9.652 0.147 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -3.846 7.189 -0.499 1.00 0.00 C ATOM 0 H ILE A 85 -3.136 10.419 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.765 10.006 -2.341 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.296 10.527 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.405 8.185 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.286 8.552 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.535 9.231 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.454 10.633 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.877 8.993 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.249 6.317 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.755 7.376 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.891 7.003 -0.747 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.045 12.468 -2.103 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.280 13.894 -2.339 1.00 0.00 C ATOM 1425 C TYR A 86 -6.809 14.602 -1.115 1.00 0.00 C ATOM 1426 O TYR A 86 -7.246 13.997 -0.127 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.319 14.064 -3.493 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.138 13.127 -4.695 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -7.297 11.746 -4.551 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -6.819 13.659 -5.947 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -7.156 10.909 -5.656 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -6.672 12.820 -7.048 1.00 0.00 C ATOM 1433 CZ TYR A 86 -6.848 11.446 -6.902 1.00 0.00 C ATOM 1434 OH TYR A 86 -6.714 10.622 -7.984 1.00 0.00 O ATOM 0 H TYR A 86 -6.861 11.961 -1.759 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.320 14.339 -2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.317 13.911 -3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.275 15.093 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.529 11.327 -3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.686 14.725 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.286 9.843 -5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.422 13.234 -8.014 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.499 11.156 -8.777 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.755 15.924 -1.153 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.342 16.776 -0.124 1.00 0.00 C ATOM 1446 C ASP A 87 -8.834 16.912 -0.317 1.00 0.00 C ATOM 1447 O ASP A 87 -9.454 16.261 -1.171 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.634 18.157 -0.105 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.448 18.851 -1.463 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -5.579 18.529 -2.260 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -7.339 19.867 -1.668 1.00 0.00 O ATOM 0 H ASP A 87 -6.299 16.443 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.189 16.307 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.203 18.823 0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.652 18.031 0.351 1.00 0.00 H new ATOM 1456 N THR A 88 -9.446 17.754 0.497 1.00 0.00 N ATOM 1457 CA THR A 88 -10.892 17.953 0.459 1.00 0.00 C ATOM 1458 C THR A 88 -11.346 18.474 -0.884 1.00 0.00 C ATOM 1459 O THR A 88 -12.469 18.190 -1.342 1.00 0.00 O ATOM 1460 CB THR A 88 -11.342 18.924 1.603 1.00 0.00 C ATOM 1461 OG1 THR A 88 -11.438 20.256 1.115 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.406 19.027 2.826 1.00 0.00 C ATOM 0 H THR A 88 -8.964 18.316 1.198 1.00 0.00 H new ATOM 0 HA THR A 88 -11.363 16.983 0.615 1.00 0.00 H new ATOM 0 HB THR A 88 -12.287 18.485 1.924 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.722 20.851 1.841 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.825 19.729 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.305 18.046 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.426 19.379 2.505 1.00 0.00 H new ATOM 1470 N LYS A 89 -10.512 19.256 -1.543 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.908 19.931 -2.780 1.00 0.00 C ATOM 1472 C LYS A 89 -10.499 19.158 -4.012 1.00 0.00 C ATOM 1473 O LYS A 89 -10.307 19.741 -5.100 1.00 0.00 O ATOM 1474 CB LYS A 89 -10.292 21.359 -2.797 1.00 0.00 C ATOM 1475 CG LYS A 89 -10.741 22.233 -1.598 1.00 0.00 C ATOM 1476 CD LYS A 89 -9.982 23.553 -1.438 1.00 0.00 C ATOM 1477 CE LYS A 89 -8.556 23.262 -0.952 1.00 0.00 C ATOM 1478 NZ LYS A 89 -8.036 24.436 -0.230 1.00 0.00 N ATOM 0 H LYS A 89 -9.554 19.444 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.996 19.994 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.205 21.279 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.571 21.857 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.803 22.453 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.627 21.653 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.953 24.087 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.497 24.198 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.554 22.389 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.912 23.028 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.069 24.240 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.025 25.258 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.646 24.639 0.587 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.340 17.853 -3.903 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.095 17.004 -5.066 1.00 0.00 C ATOM 1494 C GLY A 90 -8.778 17.304 -5.740 1.00 0.00 C ATOM 1495 O GLY A 90 -8.604 17.064 -6.953 1.00 0.00 O ATOM 0 H GLY A 90 -10.376 17.349 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.111 15.959 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.904 17.136 -5.784 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.825 17.849 -5.008 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.476 18.055 -5.529 1.00 0.00 C ATOM 1501 C LYS A 91 -5.593 16.862 -5.250 1.00 0.00 C ATOM 1502 O LYS A 91 -5.454 16.412 -4.101 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.870 19.341 -4.898 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.771 20.525 -5.891 1.00 0.00 C ATOM 1505 CD LYS A 91 -6.082 21.900 -5.293 1.00 0.00 C ATOM 1506 CE LYS A 91 -7.595 22.024 -5.068 1.00 0.00 C ATOM 1507 NZ LYS A 91 -7.923 23.414 -4.705 1.00 0.00 N ATOM 0 H LYS A 91 -7.956 18.160 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.534 18.174 -6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.480 19.641 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.875 19.114 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.764 20.546 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.455 20.343 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.551 22.028 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.736 22.687 -5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.133 21.736 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.913 21.345 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.948 23.500 -4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.420 23.673 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.633 24.051 -5.474 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.949 16.340 -6.281 1.00 0.00 N ATOM 1522 CA ASN A 92 -3.995 15.245 -6.104 1.00 0.00 C ATOM 1523 C ASN A 92 -2.722 15.744 -5.461 1.00 0.00 C ATOM 1524 O ASN A 92 -1.796 16.229 -6.127 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.691 14.568 -7.472 1.00 0.00 C ATOM 1526 CG ASN A 92 -4.158 15.271 -8.750 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -5.434 15.284 -9.030 1.00 0.00 O flip ATOM 1528 ND2 ASN A 92 -3.382 15.838 -9.506 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.065 16.651 -7.246 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.440 14.503 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.612 14.432 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.138 13.574 -7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.382 15.839 -9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.735 16.310 -10.338 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.666 15.650 -4.146 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.557 16.209 -3.371 1.00 0.00 C ATOM 1537 C VAL A 93 -0.317 15.343 -3.463 1.00 0.00 C ATOM 1538 O VAL A 93 0.824 15.818 -3.542 1.00 0.00 O ATOM 1539 CB VAL A 93 -1.998 16.384 -1.865 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.119 17.425 -1.590 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.483 15.072 -1.199 1.00 0.00 C ATOM 0 H VAL A 93 -3.379 15.189 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.305 17.183 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.062 16.741 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.334 17.454 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.790 18.410 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.020 17.142 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.769 15.272 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.343 14.683 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.679 14.336 -1.217 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.551 14.039 -3.475 1.00 0.00 N ATOM 1552 CA LEU A 94 0.533 13.065 -3.539 1.00 0.00 C ATOM 1553 C LEU A 94 0.046 11.758 -4.123 1.00 0.00 C ATOM 1554 O LEU A 94 -1.083 11.303 -3.892 1.00 0.00 O ATOM 1555 CB LEU A 94 1.175 12.874 -2.132 1.00 0.00 C ATOM 1556 CG LEU A 94 2.107 11.657 -1.869 1.00 0.00 C ATOM 1557 CD1 LEU A 94 1.354 10.321 -1.801 1.00 0.00 C ATOM 1558 CD2 LEU A 94 3.208 11.584 -2.935 1.00 0.00 C ATOM 0 H LEU A 94 -1.484 13.628 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 94 1.309 13.444 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.746 13.775 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.362 12.824 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 94 2.553 11.819 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.062 9.513 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.623 10.356 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.841 10.144 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.851 10.727 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.754 11.476 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.802 12.497 -2.908 1.00 0.00 H new ATOM 1570 N GLU A 95 0.908 11.144 -4.921 1.00 0.00 N ATOM 1571 CA GLU A 95 0.543 9.962 -5.693 1.00 0.00 C ATOM 1572 C GLU A 95 1.698 8.995 -5.823 1.00 0.00 C ATOM 1573 O GLU A 95 2.853 9.288 -5.484 1.00 0.00 O ATOM 1574 CB GLU A 95 0.048 10.430 -7.092 1.00 0.00 C ATOM 1575 CG GLU A 95 1.000 11.364 -7.911 1.00 0.00 C ATOM 1576 CD GLU A 95 0.555 11.816 -9.304 1.00 0.00 C ATOM 1577 OE1 GLU A 95 0.332 11.034 -10.219 1.00 0.00 O ATOM 1578 OE2 GLU A 95 0.431 13.167 -9.428 1.00 0.00 O ATOM 0 H GLU A 95 1.873 11.447 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.250 9.424 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.155 9.543 -7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.901 10.948 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.182 12.258 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.956 10.852 -8.018 1.00 0.00 H new ATOM 1585 N LYS A 96 1.398 7.817 -6.345 1.00 0.00 N ATOM 1586 CA LYS A 96 2.381 6.751 -6.509 1.00 0.00 C ATOM 1587 C LYS A 96 1.815 5.617 -7.333 1.00 0.00 C ATOM 1588 O LYS A 96 0.591 5.449 -7.456 1.00 0.00 O ATOM 1589 CB LYS A 96 2.837 6.249 -5.111 1.00 0.00 C ATOM 1590 CG LYS A 96 4.376 6.201 -4.940 1.00 0.00 C ATOM 1591 CD LYS A 96 4.960 7.302 -4.050 1.00 0.00 C ATOM 1592 CE LYS A 96 6.385 7.628 -4.519 1.00 0.00 C ATOM 1593 NZ LYS A 96 7.091 8.375 -3.464 1.00 0.00 N ATOM 0 H LYS A 96 0.463 7.569 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 96 3.246 7.144 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.415 6.900 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.430 5.252 -4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.651 5.232 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.839 6.266 -5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.336 8.194 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.972 6.977 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.923 6.708 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.352 8.217 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.964 8.785 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.479 9.137 -3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.329 7.731 -2.683 1.00 0.00 H new ATOM 1607 N ILE A 97 2.689 4.811 -7.906 1.00 0.00 N ATOM 1608 CA ILE A 97 2.287 3.690 -8.753 1.00 0.00 C ATOM 1609 C ILE A 97 2.781 2.381 -8.184 1.00 0.00 C ATOM 1610 O ILE A 97 3.971 2.224 -7.861 1.00 0.00 O ATOM 1611 CB ILE A 97 2.763 3.897 -10.248 1.00 0.00 C ATOM 1612 CG1 ILE A 97 3.018 5.384 -10.656 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.781 3.273 -11.287 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.893 5.597 -11.909 1.00 0.00 C ATOM 0 H ILE A 97 3.699 4.910 -7.801 1.00 0.00 H new ATOM 0 HA ILE A 97 1.198 3.652 -8.767 1.00 0.00 H new ATOM 0 HB ILE A 97 3.719 3.373 -10.270 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.054 5.865 -10.823 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.489 5.896 -9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.159 3.446 -12.295 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.697 2.201 -11.110 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.799 3.736 -11.183 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.003 6.665 -12.098 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.875 5.154 -11.746 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.419 5.123 -12.769 1.00 0.00 H new ATOM 1626 N PHE A 98 1.897 1.410 -8.055 1.00 0.00 N ATOM 1627 CA PHE A 98 2.228 0.145 -7.402 1.00 0.00 C ATOM 1628 C PHE A 98 2.142 -1.011 -8.371 1.00 0.00 C ATOM 1629 O PHE A 98 1.666 -0.879 -9.508 1.00 0.00 O ATOM 1630 CB PHE A 98 1.247 -0.118 -6.220 1.00 0.00 C ATOM 1631 CG PHE A 98 1.626 0.500 -4.865 1.00 0.00 C ATOM 1632 CD1 PHE A 98 1.358 1.852 -4.621 1.00 0.00 C ATOM 1633 CD2 PHE A 98 2.188 -0.283 -3.853 1.00 0.00 C ATOM 1634 CE1 PHE A 98 1.674 2.420 -3.392 1.00 0.00 C ATOM 1635 CE2 PHE A 98 2.496 0.285 -2.620 1.00 0.00 C ATOM 1636 CZ PHE A 98 2.242 1.636 -2.391 1.00 0.00 C ATOM 0 H PHE A 98 0.937 1.468 -8.394 1.00 0.00 H new ATOM 0 HA PHE A 98 3.251 0.222 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.263 0.257 -6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.152 -1.196 -6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.903 2.457 -5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.384 -1.331 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.479 3.467 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.932 -0.322 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.486 2.076 -1.435 1.00 0.00 H new ATOM 1646 N ASP A 99 2.586 -2.176 -7.931 1.00 0.00 N ATOM 1647 CA ASP A 99 2.568 -3.381 -8.755 1.00 0.00 C ATOM 1648 C ASP A 99 2.559 -4.632 -7.907 1.00 0.00 C ATOM 1649 O ASP A 99 3.622 -5.148 -7.510 1.00 0.00 O ATOM 1650 CB ASP A 99 3.768 -3.371 -9.741 1.00 0.00 C ATOM 1651 CG ASP A 99 3.970 -2.103 -10.583 1.00 0.00 C ATOM 1652 OD1 ASP A 99 4.660 -1.162 -10.219 1.00 0.00 O ATOM 1653 OD2 ASP A 99 3.320 -2.156 -11.785 1.00 0.00 O ATOM 0 H ASP A 99 2.969 -2.317 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 99 1.646 -3.386 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.679 -3.545 -9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.654 -4.215 -10.422 1.00 0.00 H new ATOM 1658 N LEU A 100 1.388 -5.172 -7.627 1.00 0.00 N ATOM 1659 CA LEU A 100 1.277 -6.419 -6.869 1.00 0.00 C ATOM 1660 C LEU A 100 1.601 -7.610 -7.740 1.00 0.00 C ATOM 1661 O LEU A 100 1.094 -7.745 -8.868 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.139 -6.555 -6.237 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.370 -7.664 -5.176 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.071 -9.043 -5.780 1.00 0.00 C ATOM 1665 CD2 LEU A 100 0.473 -7.459 -3.907 1.00 0.00 C ATOM 0 H LEU A 100 0.494 -4.771 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 100 2.006 -6.391 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.391 -5.599 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.850 -6.717 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.418 -7.605 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.236 -9.814 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.730 -9.219 -6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.966 -9.077 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.270 -8.264 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.531 -7.464 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.217 -6.503 -3.450 1.00 0.00 H new ATOM 1677 N LYS A 101 2.461 -8.493 -7.262 1.00 0.00 N ATOM 1678 CA LYS A 101 2.921 -9.637 -8.048 1.00 0.00 C ATOM 1679 C LYS A 101 2.877 -10.913 -7.240 1.00 0.00 C ATOM 1680 O LYS A 101 2.622 -10.915 -6.027 1.00 0.00 O ATOM 1681 CB LYS A 101 4.364 -9.373 -8.565 1.00 0.00 C ATOM 1682 CG LYS A 101 4.413 -8.456 -9.812 1.00 0.00 C ATOM 1683 CD LYS A 101 5.793 -7.871 -10.126 1.00 0.00 C ATOM 1684 CE LYS A 101 5.635 -6.713 -11.120 1.00 0.00 C ATOM 1685 NZ LYS A 101 6.903 -6.509 -11.843 1.00 0.00 N ATOM 0 H LYS A 101 2.861 -8.443 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 101 2.250 -9.761 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.951 -8.919 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.836 -10.326 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.069 -9.024 -10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.710 -7.635 -9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.269 -7.518 -9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.441 -8.641 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.833 -6.932 -11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.355 -5.802 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.796 -5.724 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.657 -6.282 -11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.152 -7.377 -12.359 1.00 0.00 H new ATOM 1699 N ILE A 102 3.103 -12.028 -7.912 1.00 0.00 N ATOM 1700 CA ILE A 102 3.257 -13.320 -7.250 1.00 0.00 C ATOM 1701 C ILE A 102 4.613 -13.919 -7.563 1.00 0.00 C ATOM 1702 O ILE A 102 5.142 -13.802 -8.677 1.00 0.00 O ATOM 1703 CB ILE A 102 2.100 -14.341 -7.608 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.650 -13.780 -7.468 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.187 -15.658 -6.772 1.00 0.00 C ATOM 1706 CD1 ILE A 102 0.269 -13.262 -6.065 1.00 0.00 C ATOM 0 H ILE A 102 3.185 -12.068 -8.928 1.00 0.00 H new ATOM 0 HA ILE A 102 3.186 -13.133 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 102 2.277 -14.541 -8.665 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.523 -12.967 -8.183 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.053 -14.564 -7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.372 -16.324 -7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.141 -16.149 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.110 -15.421 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.757 -12.895 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.355 -14.073 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.940 -12.451 -5.782 1.00 0.00 H new ATOM 1718 N GLN A 103 5.164 -14.608 -6.583 1.00 0.00 N ATOM 1719 CA GLN A 103 6.519 -15.145 -6.677 1.00 0.00 C ATOM 1720 C GLN A 103 6.536 -16.608 -6.296 1.00 0.00 C ATOM 1721 O GLN A 103 5.824 -17.054 -5.383 1.00 0.00 O ATOM 1722 CB GLN A 103 7.462 -14.326 -5.768 1.00 0.00 C ATOM 1723 CG GLN A 103 8.741 -15.064 -5.253 1.00 0.00 C ATOM 1724 CD GLN A 103 8.706 -15.800 -3.908 1.00 0.00 C ATOM 1725 OE1 GLN A 103 7.764 -16.513 -3.600 1.00 0.00 O ATOM 1726 NE2 GLN A 103 9.712 -15.691 -3.078 1.00 0.00 N ATOM 0 H GLN A 103 4.693 -14.814 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 103 6.867 -15.066 -7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.777 -13.437 -6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.893 -13.984 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.026 -15.791 -6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.542 -14.327 -5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.509 -15.100 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.700 -16.197 -2.192 1.00 0.00 H new