USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 783 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 99 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Set 1.2: A 102 LYS NZ :NH3+ 148:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 67:sc= 0.0126 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= 0 (180deg=-1.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 120:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.312 (180deg=-0.563) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 46 CYS SG : rot 62:sc= -1.16 USER MOD Single : A 47 LYS NZ :NH3+ -136:sc= -0.0469 (180deg=-0.522) USER MOD Single : A 50 ASN : amide:sc= -4.89 K(o=-4.9,f=-19!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 151:sc= -0.394 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0342) USER MOD Single : A 61 CYS SG : rot 112:sc= -0.969 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -4.14 USER MOD Single : A 72 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.4!) USER MOD Single : A 73 ASN : amide:sc= -3.38 K(o=-3.4,f=-14!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 178:sc= -5.14! USER MOD Single : A 83 THR OG1 : rot 84:sc= 0.0259 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 131:sc= 0.293 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 11:sc= 0.974 USER MOD Single : A 106 THR OG1 : rot -55:sc= 0.982 USER MOD Single : A 111 ASN : amide:sc= 0.0712 K(o=0.071,f=-2.4!) USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= -0.0148 (180deg=-0.169) USER MOD Single : A 114 THR OG1 : rot -9:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.079 -2.057 -5.744 1.00 0.00 N ATOM 60 CA GLY A 7 -10.877 -2.297 -4.966 1.00 0.00 C ATOM 61 C GLY A 7 -10.322 -1.027 -4.352 1.00 0.00 C ATOM 62 O GLY A 7 -10.029 -0.985 -3.157 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.097 -3.014 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.119 -2.750 -5.605 1.00 0.00 H new ATOM 66 N GLU A 8 -10.175 0.010 -5.171 1.00 0.00 N ATOM 67 CA GLU A 8 -9.649 1.286 -4.701 1.00 0.00 C ATOM 68 C GLU A 8 -10.180 1.614 -3.308 1.00 0.00 C ATOM 69 O GLU A 8 -9.409 1.850 -2.379 1.00 0.00 O ATOM 70 CB GLU A 8 -10.017 2.406 -5.676 1.00 0.00 C ATOM 71 CG GLU A 8 -9.333 2.285 -7.027 1.00 0.00 C ATOM 72 CD GLU A 8 -9.928 3.215 -8.067 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.211 4.382 -7.726 1.00 0.00 O ATOM 74 OE2 GLU A 8 -10.110 2.775 -9.221 1.00 0.00 O ATOM 0 H GLU A 8 -10.413 -0.009 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.563 1.204 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.097 2.408 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.755 3.365 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.271 2.504 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.410 1.256 -7.378 1.00 0.00 H new ATOM 81 N GLU A 9 -11.503 1.626 -3.174 1.00 0.00 N ATOM 82 CA GLU A 9 -12.137 1.926 -1.895 1.00 0.00 C ATOM 83 C GLU A 9 -11.774 0.878 -0.848 1.00 0.00 C ATOM 84 O GLU A 9 -11.481 1.209 0.301 1.00 0.00 O ATOM 85 CB GLU A 9 -13.657 1.995 -2.059 1.00 0.00 C ATOM 86 CG GLU A 9 -14.385 2.436 -0.800 1.00 0.00 C ATOM 87 CD GLU A 9 -13.794 3.695 -0.196 1.00 0.00 C ATOM 88 OE1 GLU A 9 -14.042 4.790 -0.744 1.00 0.00 O ATOM 89 OE2 GLU A 9 -13.085 3.586 0.826 1.00 0.00 O ATOM 0 H GLU A 9 -12.155 1.432 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.771 2.895 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.896 2.686 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.027 1.014 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.436 2.608 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.349 1.633 -0.064 1.00 0.00 H new ATOM 96 N GLN A 10 -11.795 -0.388 -1.254 1.00 0.00 N ATOM 97 CA GLN A 10 -11.470 -1.485 -0.350 1.00 0.00 C ATOM 98 C GLN A 10 -10.101 -1.275 0.289 1.00 0.00 C ATOM 99 O GLN A 10 -9.931 -1.473 1.493 1.00 0.00 O ATOM 100 CB GLN A 10 -11.496 -2.817 -1.102 1.00 0.00 C ATOM 101 CG GLN A 10 -12.891 -3.402 -1.255 1.00 0.00 C ATOM 102 CD GLN A 10 -13.279 -4.298 -0.095 1.00 0.00 C ATOM 103 OE1 GLN A 10 -13.829 -3.835 0.904 1.00 0.00 O ATOM 104 NE2 GLN A 10 -12.994 -5.588 -0.223 1.00 0.00 N ATOM 0 H GLN A 10 -12.033 -0.679 -2.202 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.220 -1.507 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.060 -2.675 -2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.866 -3.534 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.614 -2.591 -1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.942 -3.972 -2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.537 -5.928 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.232 -6.239 0.525 1.00 0.00 H new ATOM 113 N ILE A 11 -9.129 -0.875 -0.523 1.00 0.00 N ATOM 114 CA ILE A 11 -7.776 -0.638 -0.035 1.00 0.00 C ATOM 115 C ILE A 11 -7.745 0.512 0.965 1.00 0.00 C ATOM 116 O ILE A 11 -7.236 0.369 2.077 1.00 0.00 O ATOM 117 CB ILE A 11 -6.808 -0.324 -1.191 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.729 -1.509 -2.156 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.428 0.018 -0.649 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.272 -2.793 -1.499 1.00 0.00 C ATOM 0 H ILE A 11 -9.253 -0.708 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.454 -1.555 0.459 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.187 0.540 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.710 -1.669 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.044 -1.262 -2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.755 0.237 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.498 0.890 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.040 -0.828 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.239 -3.590 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.278 -2.651 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.969 -3.064 -0.706 1.00 0.00 H new ATOM 132 N VAL A 12 -8.296 1.653 0.564 1.00 0.00 N ATOM 133 CA VAL A 12 -8.335 2.828 1.426 1.00 0.00 C ATOM 134 C VAL A 12 -8.776 2.459 2.838 1.00 0.00 C ATOM 135 O VAL A 12 -8.031 2.641 3.801 1.00 0.00 O ATOM 136 CB VAL A 12 -9.287 3.903 0.867 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.347 5.101 1.802 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.852 4.326 -0.527 1.00 0.00 C ATOM 0 H VAL A 12 -8.722 1.789 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.323 3.231 1.458 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.288 3.477 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.024 5.850 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.709 4.782 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.351 5.531 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.535 5.086 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.842 4.735 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.866 3.461 -1.191 1.00 0.00 H new ATOM 148 N THR A 13 -9.994 1.938 2.955 1.00 0.00 N ATOM 149 CA THR A 13 -10.535 1.543 4.249 1.00 0.00 C ATOM 150 C THR A 13 -9.670 0.472 4.903 1.00 0.00 C ATOM 151 O THR A 13 -9.468 0.481 6.118 1.00 0.00 O ATOM 152 CB THR A 13 -11.976 1.015 4.118 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.830 2.043 3.603 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.502 0.538 5.463 1.00 0.00 C ATOM 0 H THR A 13 -10.624 1.780 2.169 1.00 0.00 H new ATOM 0 HA THR A 13 -10.539 2.435 4.876 1.00 0.00 H new ATOM 0 HB THR A 13 -11.969 0.171 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.576 2.247 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.521 0.170 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.867 -0.265 5.838 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.495 1.367 6.171 1.00 0.00 H new ATOM 162 N TRP A 14 -9.163 -0.449 4.092 1.00 0.00 N ATOM 163 CA TRP A 14 -8.319 -1.527 4.593 1.00 0.00 C ATOM 164 C TRP A 14 -7.112 -0.972 5.340 1.00 0.00 C ATOM 165 O TRP A 14 -6.968 -1.176 6.546 1.00 0.00 O ATOM 166 CB TRP A 14 -7.855 -2.417 3.439 1.00 0.00 C ATOM 167 CG TRP A 14 -6.939 -3.523 3.872 1.00 0.00 C ATOM 168 CD1 TRP A 14 -7.079 -4.318 4.973 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.744 -3.953 3.213 1.00 0.00 C ATOM 170 NE1 TRP A 14 -6.041 -5.216 5.039 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.209 -5.014 3.970 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.073 -3.547 2.056 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -4.037 -5.671 3.606 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -3.909 -4.199 1.697 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.401 -5.252 2.469 1.00 0.00 C ATOM 0 H TRP A 14 -9.322 -0.471 3.085 1.00 0.00 H new ATOM 0 HA TRP A 14 -8.910 -2.124 5.288 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.728 -2.849 2.949 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.345 -1.802 2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.887 -4.251 5.687 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.911 -5.919 5.766 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.458 -2.738 1.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.644 -6.483 4.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.382 -3.892 0.806 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.490 -5.743 2.161 1.00 0.00 H new ATOM 186 N LEU A 15 -6.247 -0.269 4.618 1.00 0.00 N ATOM 187 CA LEU A 15 -5.051 0.318 5.213 1.00 0.00 C ATOM 188 C LEU A 15 -5.368 0.943 6.568 1.00 0.00 C ATOM 189 O LEU A 15 -4.766 0.588 7.582 1.00 0.00 O ATOM 190 CB LEU A 15 -4.456 1.372 4.279 1.00 0.00 C ATOM 191 CG LEU A 15 -4.071 0.889 2.880 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.724 2.069 1.985 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.906 -0.087 2.955 1.00 0.00 C ATOM 0 H LEU A 15 -6.351 -0.091 3.619 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.322 -0.478 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.175 2.185 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.569 1.790 4.754 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.926 0.370 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.453 1.706 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.586 2.731 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.884 2.616 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.645 -0.420 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.046 0.407 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.191 -0.948 3.560 1.00 0.00 H new ATOM 205 N ILE A 16 -6.317 1.872 6.577 1.00 0.00 N ATOM 206 CA ILE A 16 -6.716 2.544 7.808 1.00 0.00 C ATOM 207 C ILE A 16 -7.097 1.535 8.886 1.00 0.00 C ATOM 208 O ILE A 16 -6.637 1.624 10.025 1.00 0.00 O ATOM 209 CB ILE A 16 -7.902 3.497 7.571 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.548 4.529 6.498 1.00 0.00 C ATOM 211 CG2 ILE A 16 -8.295 4.187 8.868 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.724 5.375 6.062 1.00 0.00 C ATOM 0 H ILE A 16 -6.824 2.177 5.746 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.856 3.124 8.143 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.754 2.914 7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.762 5.182 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.140 4.012 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.135 4.857 8.684 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.584 3.438 9.606 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.449 4.761 9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.400 6.084 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.502 4.732 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.118 5.919 6.920 1.00 0.00 H new ATOM 224 N SER A 17 -7.938 0.574 8.519 1.00 0.00 N ATOM 225 CA SER A 17 -8.383 -0.452 9.455 1.00 0.00 C ATOM 226 C SER A 17 -7.194 -1.098 10.159 1.00 0.00 C ATOM 227 O SER A 17 -7.197 -1.269 11.378 1.00 0.00 O ATOM 228 CB SER A 17 -9.200 -1.519 8.724 1.00 0.00 C ATOM 229 OG SER A 17 -9.444 -2.637 9.561 1.00 0.00 O ATOM 0 H SER A 17 -8.325 0.484 7.580 1.00 0.00 H new ATOM 0 HA SER A 17 -9.012 0.025 10.207 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.148 -1.093 8.395 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.667 -1.840 7.829 1.00 0.00 H new ATOM 0 HG SER A 17 -9.969 -3.304 9.071 1.00 0.00 H new ATOM 235 N LEU A 18 -6.177 -1.454 9.381 1.00 0.00 N ATOM 236 CA LEU A 18 -4.979 -2.082 9.929 1.00 0.00 C ATOM 237 C LEU A 18 -4.266 -1.143 10.896 1.00 0.00 C ATOM 238 O LEU A 18 -3.742 -1.574 11.922 1.00 0.00 O ATOM 239 CB LEU A 18 -4.030 -2.486 8.799 1.00 0.00 C ATOM 240 CG LEU A 18 -4.400 -3.757 8.034 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.519 -3.915 6.804 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.282 -4.976 8.936 1.00 0.00 C ATOM 0 H LEU A 18 -6.158 -1.319 8.370 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.284 -2.974 10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.972 -1.662 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.032 -2.616 9.218 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.436 -3.672 7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.797 -4.825 6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.653 -3.055 6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.475 -3.978 7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.549 -5.871 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.257 -5.065 9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.956 -4.866 9.786 1.00 0.00 H new ATOM 254 N GLY A 19 -4.253 0.144 10.563 1.00 0.00 N ATOM 255 CA GLY A 19 -3.604 1.125 11.413 1.00 0.00 C ATOM 256 C GLY A 19 -2.343 1.689 10.790 1.00 0.00 C ATOM 257 O GLY A 19 -1.371 1.976 11.488 1.00 0.00 O ATOM 0 H GLY A 19 -4.681 0.525 9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.299 1.939 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.358 0.666 12.370 1.00 0.00 H new ATOM 261 N VAL A 20 -2.357 1.848 9.470 1.00 0.00 N ATOM 262 CA VAL A 20 -1.206 2.381 8.752 1.00 0.00 C ATOM 263 C VAL A 20 -1.570 3.656 7.999 1.00 0.00 C ATOM 264 O VAL A 20 -0.701 4.462 7.664 1.00 0.00 O ATOM 265 CB VAL A 20 -0.641 1.353 7.754 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.025 0.175 8.492 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.730 0.884 6.800 1.00 0.00 C ATOM 0 H VAL A 20 -3.153 1.615 8.877 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.445 2.608 9.499 1.00 0.00 H new ATOM 0 HB VAL A 20 0.142 1.834 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.369 -0.541 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.784 0.529 9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.786 -0.309 9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.314 0.158 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.536 0.420 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.121 1.738 6.246 1.00 0.00 H new ATOM 277 N LEU A 21 -2.860 3.833 7.737 1.00 0.00 N ATOM 278 CA LEU A 21 -3.341 5.012 7.024 1.00 0.00 C ATOM 279 C LEU A 21 -4.267 5.843 7.907 1.00 0.00 C ATOM 280 O LEU A 21 -5.220 5.322 8.485 1.00 0.00 O ATOM 281 CB LEU A 21 -4.074 4.596 5.747 1.00 0.00 C ATOM 282 CG LEU A 21 -4.707 5.728 4.937 1.00 0.00 C ATOM 283 CD1 LEU A 21 -3.636 6.539 4.226 1.00 0.00 C ATOM 284 CD2 LEU A 21 -5.710 5.172 3.937 1.00 0.00 C ATOM 0 H LEU A 21 -3.592 3.176 8.007 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.478 5.623 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.371 4.066 5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.857 3.887 6.016 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.237 6.388 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.105 7.340 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.956 6.968 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.077 5.891 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.151 5.992 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.203 4.489 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.496 4.636 4.469 1.00 0.00 H new ATOM 296 N GLU A 22 -3.980 7.137 8.003 1.00 0.00 N ATOM 297 CA GLU A 22 -4.788 8.039 8.815 1.00 0.00 C ATOM 298 C GLU A 22 -6.236 8.056 8.333 1.00 0.00 C ATOM 299 O GLU A 22 -6.514 7.796 7.162 1.00 0.00 O ATOM 300 CB GLU A 22 -4.209 9.455 8.773 1.00 0.00 C ATOM 301 CG GLU A 22 -3.900 9.945 7.368 1.00 0.00 C ATOM 302 CD GLU A 22 -2.477 9.638 6.944 1.00 0.00 C ATOM 303 OE1 GLU A 22 -2.243 8.533 6.410 1.00 0.00 O ATOM 304 OE2 GLU A 22 -1.598 10.502 7.145 1.00 0.00 O ATOM 0 H GLU A 22 -3.195 7.584 7.529 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.769 7.676 9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.915 10.141 9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.296 9.483 9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.593 9.482 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.066 11.021 7.318 1.00 0.00 H new ATOM 436 N PRO A 31 -10.568 7.810 -5.023 1.00 0.00 N ATOM 437 CA PRO A 31 -9.509 7.102 -4.297 1.00 0.00 C ATOM 438 C PRO A 31 -8.343 6.718 -5.201 1.00 0.00 C ATOM 439 O PRO A 31 -7.256 6.395 -4.724 1.00 0.00 O ATOM 440 CB PRO A 31 -10.216 5.849 -3.774 1.00 0.00 C ATOM 441 CG PRO A 31 -11.347 5.630 -4.718 1.00 0.00 C ATOM 442 CD PRO A 31 -11.788 6.998 -5.160 1.00 0.00 C ATOM 0 HA PRO A 31 -9.069 7.719 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.542 4.992 -3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.574 5.993 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.033 5.027 -5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.163 5.095 -4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.152 6.990 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.597 7.380 -4.538 1.00 0.00 H new ATOM 450 N GLU A 32 -8.577 6.756 -6.510 1.00 0.00 N ATOM 451 CA GLU A 32 -7.545 6.412 -7.480 1.00 0.00 C ATOM 452 C GLU A 32 -6.300 7.272 -7.279 1.00 0.00 C ATOM 453 O GLU A 32 -5.197 6.755 -7.110 1.00 0.00 O ATOM 454 CB GLU A 32 -8.074 6.586 -8.905 1.00 0.00 C ATOM 455 CG GLU A 32 -7.150 6.022 -9.971 1.00 0.00 C ATOM 456 CD GLU A 32 -7.814 5.932 -11.331 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.599 6.843 -11.670 1.00 0.00 O ATOM 458 OE2 GLU A 32 -7.549 4.951 -12.057 1.00 0.00 O ATOM 0 H GLU A 32 -9.472 7.021 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.273 5.368 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.046 6.099 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.232 7.647 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.262 6.649 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.815 5.030 -9.668 1.00 0.00 H new ATOM 465 N GLU A 33 -6.488 8.588 -7.301 1.00 0.00 N ATOM 466 CA GLU A 33 -5.381 9.520 -7.123 1.00 0.00 C ATOM 467 C GLU A 33 -4.900 9.523 -5.675 1.00 0.00 C ATOM 468 O GLU A 33 -3.704 9.404 -5.406 1.00 0.00 O ATOM 469 CB GLU A 33 -5.803 10.932 -7.534 1.00 0.00 C ATOM 470 CG GLU A 33 -5.617 11.216 -9.015 1.00 0.00 C ATOM 471 CD GLU A 33 -4.211 10.910 -9.496 1.00 0.00 C ATOM 472 OE1 GLU A 33 -3.271 11.609 -9.062 1.00 0.00 O ATOM 473 OE2 GLU A 33 -4.051 9.972 -10.304 1.00 0.00 O ATOM 0 H GLU A 33 -7.396 9.032 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.559 9.194 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.851 11.079 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.227 11.656 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.330 10.622 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.844 12.264 -9.212 1.00 0.00 H new ATOM 480 N PHE A 34 -5.839 9.660 -4.745 1.00 0.00 N ATOM 481 CA PHE A 34 -5.512 9.680 -3.324 1.00 0.00 C ATOM 482 C PHE A 34 -4.607 8.507 -2.958 1.00 0.00 C ATOM 483 O PHE A 34 -3.537 8.692 -2.377 1.00 0.00 O ATOM 484 CB PHE A 34 -6.790 9.634 -2.484 1.00 0.00 C ATOM 485 CG PHE A 34 -6.534 9.574 -1.005 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.404 10.737 -0.264 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.423 8.354 -0.357 1.00 0.00 C ATOM 488 CE1 PHE A 34 -6.168 10.684 1.097 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.187 8.296 1.004 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.060 9.462 1.732 1.00 0.00 C ATOM 0 H PHE A 34 -6.833 9.759 -4.950 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.980 10.607 -3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.392 10.515 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.378 8.764 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.488 11.695 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.522 7.439 -0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.068 11.598 1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.102 7.339 1.497 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.877 9.419 2.795 1.00 0.00 H new ATOM 500 N LEU A 35 -5.044 7.300 -3.302 1.00 0.00 N ATOM 501 CA LEU A 35 -4.275 6.096 -3.009 1.00 0.00 C ATOM 502 C LEU A 35 -2.874 6.187 -3.606 1.00 0.00 C ATOM 503 O LEU A 35 -1.883 5.890 -2.939 1.00 0.00 O ATOM 504 CB LEU A 35 -4.995 4.862 -3.555 1.00 0.00 C ATOM 505 CG LEU A 35 -6.065 4.253 -2.648 1.00 0.00 C ATOM 506 CD1 LEU A 35 -6.953 3.302 -3.434 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.421 3.535 -1.471 1.00 0.00 C ATOM 0 H LEU A 35 -5.927 7.130 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.184 6.007 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.460 5.128 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.250 4.096 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.687 5.060 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.708 2.878 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.443 3.845 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.346 2.499 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.197 3.108 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.775 2.738 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.829 4.244 -0.892 1.00 0.00 H new ATOM 519 N LYS A 36 -2.799 6.601 -4.866 1.00 0.00 N ATOM 520 CA LYS A 36 -1.520 6.735 -5.553 1.00 0.00 C ATOM 521 C LYS A 36 -0.625 7.747 -4.843 1.00 0.00 C ATOM 522 O LYS A 36 0.587 7.554 -4.742 1.00 0.00 O ATOM 523 CB LYS A 36 -1.740 7.164 -7.005 1.00 0.00 C ATOM 524 CG LYS A 36 -2.502 6.142 -7.832 1.00 0.00 C ATOM 525 CD LYS A 36 -3.192 6.790 -9.020 1.00 0.00 C ATOM 526 CE LYS A 36 -2.280 6.839 -10.236 1.00 0.00 C ATOM 527 NZ LYS A 36 -1.270 7.928 -10.127 1.00 0.00 N ATOM 0 H LYS A 36 -3.610 6.850 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.025 5.764 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.284 8.108 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.772 7.348 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.815 5.372 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.243 5.645 -7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.097 6.233 -9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.502 7.801 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.771 5.881 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.879 6.988 -11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.976 8.226 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.685 8.738 -9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.442 7.582 -9.602 1.00 0.00 H new ATOM 541 N SER A 37 -1.229 8.824 -4.354 1.00 0.00 N ATOM 542 CA SER A 37 -0.486 9.867 -3.656 1.00 0.00 C ATOM 543 C SER A 37 -0.041 9.387 -2.278 1.00 0.00 C ATOM 544 O SER A 37 1.045 9.729 -1.810 1.00 0.00 O ATOM 545 CB SER A 37 -1.342 11.127 -3.517 1.00 0.00 C ATOM 546 OG SER A 37 -0.704 12.090 -2.696 1.00 0.00 O ATOM 0 H SER A 37 -2.231 8.998 -4.428 1.00 0.00 H new ATOM 0 HA SER A 37 0.401 10.102 -4.244 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.531 11.553 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.311 10.867 -3.091 1.00 0.00 H new ATOM 0 HG SER A 37 -1.271 12.886 -2.625 1.00 0.00 H new ATOM 552 N SER A 38 -0.888 8.592 -1.633 1.00 0.00 N ATOM 553 CA SER A 38 -0.585 8.067 -0.306 1.00 0.00 C ATOM 554 C SER A 38 0.518 7.016 -0.377 1.00 0.00 C ATOM 555 O SER A 38 1.486 7.063 0.383 1.00 0.00 O ATOM 556 CB SER A 38 -1.841 7.463 0.326 1.00 0.00 C ATOM 557 OG SER A 38 -1.663 7.257 1.716 1.00 0.00 O ATOM 0 H SER A 38 -1.790 8.297 -2.007 1.00 0.00 H new ATOM 0 HA SER A 38 -0.237 8.893 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.690 8.125 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.076 6.515 -0.158 1.00 0.00 H new ATOM 0 HG SER A 38 -2.330 7.776 2.212 1.00 0.00 H new ATOM 563 N LEU A 39 0.365 6.068 -1.295 1.00 0.00 N ATOM 564 CA LEU A 39 1.348 5.003 -1.467 1.00 0.00 C ATOM 565 C LEU A 39 2.627 5.541 -2.099 1.00 0.00 C ATOM 566 O LEU A 39 3.728 5.092 -1.777 1.00 0.00 O ATOM 567 CB LEU A 39 0.769 3.883 -2.333 1.00 0.00 C ATOM 568 CG LEU A 39 -0.615 3.371 -1.931 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.271 2.639 -3.092 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.515 2.464 -0.714 1.00 0.00 C ATOM 0 H LEU A 39 -0.430 6.015 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 39 1.591 4.603 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.719 4.236 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.464 3.043 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.237 4.227 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.255 2.282 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.377 3.319 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.652 1.791 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.509 2.109 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.124 1.612 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.088 3.020 0.120 1.00 0.00 H new ATOM 582 N LYS A 40 2.476 6.506 -2.999 1.00 0.00 N ATOM 583 CA LYS A 40 3.619 7.109 -3.675 1.00 0.00 C ATOM 584 C LYS A 40 4.821 7.195 -2.739 1.00 0.00 C ATOM 585 O LYS A 40 5.844 6.552 -2.967 1.00 0.00 O ATOM 586 CB LYS A 40 3.257 8.505 -4.187 1.00 0.00 C ATOM 587 CG LYS A 40 4.460 9.324 -4.621 1.00 0.00 C ATOM 588 CD LYS A 40 4.098 10.787 -4.815 1.00 0.00 C ATOM 589 CE LYS A 40 3.499 11.035 -6.191 1.00 0.00 C ATOM 590 NZ LYS A 40 2.018 10.878 -6.188 1.00 0.00 N ATOM 0 H LYS A 40 1.572 6.888 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 40 3.884 6.476 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.571 8.408 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.725 9.044 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.248 9.239 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.859 8.921 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.387 11.092 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.988 11.403 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.757 12.041 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.936 10.340 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.618 11.339 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.776 9.867 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.624 11.319 -5.333 1.00 0.00 H new ATOM 604 N ASN A 41 4.688 7.994 -1.685 1.00 0.00 N ATOM 605 CA ASN A 41 5.763 8.164 -0.714 1.00 0.00 C ATOM 606 C ASN A 41 6.479 6.841 -0.459 1.00 0.00 C ATOM 607 O ASN A 41 7.708 6.784 -0.427 1.00 0.00 O ATOM 608 CB ASN A 41 5.209 8.719 0.600 1.00 0.00 C ATOM 609 CG ASN A 41 5.082 10.230 0.581 1.00 0.00 C ATOM 610 OD1 ASN A 41 4.879 10.833 -0.473 1.00 0.00 O ATOM 611 ND2 ASN A 41 5.200 10.848 1.750 1.00 0.00 N ATOM 0 H ASN A 41 3.847 8.534 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 41 6.482 8.873 -1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.232 8.277 0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.862 8.422 1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.123 11.864 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.368 10.307 2.598 1.00 0.00 H new ATOM 618 N GLY A 42 5.701 5.778 -0.278 1.00 0.00 N ATOM 619 CA GLY A 42 6.278 4.470 -0.028 1.00 0.00 C ATOM 620 C GLY A 42 6.279 4.108 1.444 1.00 0.00 C ATOM 621 O GLY A 42 6.146 2.939 1.804 1.00 0.00 O ATOM 0 H GLY A 42 4.681 5.799 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.719 3.717 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.301 4.449 -0.405 1.00 0.00 H new ATOM 625 N VAL A 43 6.432 5.115 2.299 1.00 0.00 N ATOM 626 CA VAL A 43 6.451 4.897 3.740 1.00 0.00 C ATOM 627 C VAL A 43 5.164 4.229 4.212 1.00 0.00 C ATOM 628 O VAL A 43 5.179 3.409 5.131 1.00 0.00 O ATOM 629 CB VAL A 43 6.639 6.221 4.505 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.630 7.258 4.035 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.520 5.991 6.004 1.00 0.00 C ATOM 0 H VAL A 43 6.544 6.089 2.018 1.00 0.00 H new ATOM 0 HA VAL A 43 7.296 4.241 3.950 1.00 0.00 H new ATOM 0 HB VAL A 43 7.639 6.602 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.778 8.186 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.768 7.443 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.620 6.889 4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.655 6.937 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.534 5.587 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.285 5.285 6.326 1.00 0.00 H new ATOM 641 N VAL A 44 4.052 4.584 3.578 1.00 0.00 N ATOM 642 CA VAL A 44 2.756 4.017 3.931 1.00 0.00 C ATOM 643 C VAL A 44 2.751 2.503 3.752 1.00 0.00 C ATOM 644 O VAL A 44 2.154 1.775 4.546 1.00 0.00 O ATOM 645 CB VAL A 44 1.626 4.628 3.081 1.00 0.00 C ATOM 646 CG1 VAL A 44 0.347 3.818 3.231 1.00 0.00 C ATOM 647 CG2 VAL A 44 1.395 6.081 3.467 1.00 0.00 C ATOM 0 H VAL A 44 4.022 5.262 2.817 1.00 0.00 H new ATOM 0 HA VAL A 44 2.581 4.256 4.980 1.00 0.00 H new ATOM 0 HB VAL A 44 1.926 4.598 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.440 4.265 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.524 2.794 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.040 3.814 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.593 6.497 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.117 6.138 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.309 6.651 3.302 1.00 0.00 H new ATOM 657 N LEU A 45 3.419 2.035 2.704 1.00 0.00 N ATOM 658 CA LEU A 45 3.493 0.606 2.420 1.00 0.00 C ATOM 659 C LEU A 45 4.433 -0.095 3.394 1.00 0.00 C ATOM 660 O LEU A 45 4.115 -1.163 3.920 1.00 0.00 O ATOM 661 CB LEU A 45 3.964 0.375 0.983 1.00 0.00 C ATOM 662 CG LEU A 45 3.024 0.866 -0.119 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.812 1.243 -1.364 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.985 -0.197 -0.445 1.00 0.00 C ATOM 0 H LEU A 45 3.917 2.624 2.037 1.00 0.00 H new ATOM 0 HA LEU A 45 2.495 0.185 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.929 0.866 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.128 -0.693 0.843 1.00 0.00 H new ATOM 0 HG LEU A 45 2.506 1.755 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.127 1.590 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.518 2.038 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.357 0.372 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.324 0.169 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.486 -1.103 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.399 -0.419 0.447 1.00 0.00 H new ATOM 676 N CYS A 46 5.590 0.512 3.632 1.00 0.00 N ATOM 677 CA CYS A 46 6.577 -0.053 4.545 1.00 0.00 C ATOM 678 C CYS A 46 5.959 -0.329 5.912 1.00 0.00 C ATOM 679 O CYS A 46 6.309 -1.302 6.580 1.00 0.00 O ATOM 680 CB CYS A 46 7.768 0.895 4.693 1.00 0.00 C ATOM 681 SG CYS A 46 9.022 0.712 3.403 1.00 0.00 S ATOM 0 H CYS A 46 5.868 1.396 3.205 1.00 0.00 H new ATOM 0 HA CYS A 46 6.924 -0.998 4.126 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.404 1.922 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.234 0.727 5.664 1.00 0.00 H new ATOM 0 HG CYS A 46 8.495 0.980 2.245 1.00 0.00 H new ATOM 687 N LYS A 47 5.037 0.536 6.323 1.00 0.00 N ATOM 688 CA LYS A 47 4.369 0.387 7.610 1.00 0.00 C ATOM 689 C LYS A 47 3.283 -0.682 7.540 1.00 0.00 C ATOM 690 O LYS A 47 2.954 -1.314 8.544 1.00 0.00 O ATOM 691 CB LYS A 47 3.758 1.720 8.048 1.00 0.00 C ATOM 692 CG LYS A 47 4.792 2.786 8.370 1.00 0.00 C ATOM 693 CD LYS A 47 4.141 4.049 8.909 1.00 0.00 C ATOM 694 CE LYS A 47 5.175 5.011 9.473 1.00 0.00 C ATOM 695 NZ LYS A 47 4.544 6.241 10.027 1.00 0.00 N ATOM 0 H LYS A 47 4.736 1.347 5.783 1.00 0.00 H new ATOM 0 HA LYS A 47 5.114 0.076 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.104 2.087 7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.134 1.553 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.499 2.399 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.362 3.024 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.582 4.540 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.424 3.787 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.747 4.512 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.881 5.286 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.085 7.076 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.567 6.317 9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.538 6.191 11.066 1.00 0.00 H new ATOM 709 N LEU A 48 2.731 -0.881 6.348 1.00 0.00 N ATOM 710 CA LEU A 48 1.684 -1.875 6.146 1.00 0.00 C ATOM 711 C LEU A 48 2.231 -3.287 6.324 1.00 0.00 C ATOM 712 O LEU A 48 1.866 -3.991 7.266 1.00 0.00 O ATOM 713 CB LEU A 48 1.073 -1.725 4.751 1.00 0.00 C ATOM 714 CG LEU A 48 0.280 -2.926 4.233 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.000 -3.106 5.033 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.033 -2.759 2.753 1.00 0.00 C ATOM 0 H LEU A 48 2.992 -0.367 5.507 1.00 0.00 H new ATOM 0 HA LEU A 48 0.910 -1.708 6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.416 -0.856 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.876 -1.514 4.045 1.00 0.00 H new ATOM 0 HG LEU A 48 0.890 -3.821 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.551 -3.965 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.753 -3.271 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.615 -2.211 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.598 -3.622 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.623 -1.855 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.898 -2.680 2.191 1.00 0.00 H new ATOM 728 N ILE A 49 3.111 -3.694 5.415 1.00 0.00 N ATOM 729 CA ILE A 49 3.712 -5.021 5.475 1.00 0.00 C ATOM 730 C ILE A 49 4.220 -5.332 6.878 1.00 0.00 C ATOM 731 O ILE A 49 4.116 -6.463 7.351 1.00 0.00 O ATOM 732 CB ILE A 49 4.877 -5.157 4.477 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.336 -6.614 4.391 1.00 0.00 C ATOM 734 CG2 ILE A 49 6.032 -4.255 4.886 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.422 -7.487 3.560 1.00 0.00 C ATOM 0 H ILE A 49 3.423 -3.124 4.629 1.00 0.00 H new ATOM 0 HA ILE A 49 2.931 -5.733 5.208 1.00 0.00 H new ATOM 0 HB ILE A 49 4.530 -4.846 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.340 -6.646 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.402 -7.026 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.848 -4.362 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.696 -3.218 4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.380 -4.538 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.809 -8.506 3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.423 -7.485 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.375 -7.100 2.542 1.00 0.00 H new ATOM 747 N ASN A 50 4.769 -4.319 7.541 1.00 0.00 N ATOM 748 CA ASN A 50 5.293 -4.484 8.892 1.00 0.00 C ATOM 749 C ASN A 50 4.196 -4.940 9.849 1.00 0.00 C ATOM 750 O ASN A 50 4.420 -5.797 10.703 1.00 0.00 O ATOM 751 CB ASN A 50 5.905 -3.172 9.388 1.00 0.00 C ATOM 752 CG ASN A 50 7.171 -2.805 8.638 1.00 0.00 C ATOM 753 OD1 ASN A 50 7.640 -3.557 7.783 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.731 -1.643 8.956 1.00 0.00 N ATOM 0 H ASN A 50 4.862 -3.376 7.165 1.00 0.00 H new ATOM 0 HA ASN A 50 6.067 -5.251 8.863 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.175 -2.370 9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.128 -3.257 10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.584 -1.342 8.485 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.308 -1.052 9.671 1.00 0.00 H new ATOM 761 N ARG A 51 3.009 -4.360 9.699 1.00 0.00 N ATOM 762 CA ARG A 51 1.877 -4.706 10.550 1.00 0.00 C ATOM 763 C ARG A 51 1.336 -6.089 10.198 1.00 0.00 C ATOM 764 O ARG A 51 0.861 -6.821 11.068 1.00 0.00 O ATOM 765 CB ARG A 51 0.768 -3.662 10.409 1.00 0.00 C ATOM 766 CG ARG A 51 -0.447 -3.943 11.278 1.00 0.00 C ATOM 767 CD ARG A 51 -0.231 -3.469 12.707 1.00 0.00 C ATOM 768 NE ARG A 51 0.583 -4.405 13.477 1.00 0.00 N ATOM 769 CZ ARG A 51 1.185 -4.089 14.619 1.00 0.00 C ATOM 770 NH1 ARG A 51 1.064 -2.867 15.120 1.00 0.00 N ATOM 771 NH2 ARG A 51 1.909 -4.996 15.262 1.00 0.00 N ATOM 0 H ARG A 51 2.807 -3.649 8.996 1.00 0.00 H new ATOM 0 HA ARG A 51 2.223 -4.722 11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.169 -2.681 10.666 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.455 -3.615 9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.320 -3.445 10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.658 -5.012 11.276 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.253 -2.492 12.696 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.197 -3.341 13.196 1.00 0.00 H new ATOM 0 HE ARG A 51 0.696 -5.353 13.119 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.508 -2.167 14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.527 -2.627 15.997 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.004 -5.937 14.880 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.371 -4.752 16.138 1.00 0.00 H new ATOM 785 N LEU A 52 1.409 -6.440 8.919 1.00 0.00 N ATOM 786 CA LEU A 52 0.926 -7.735 8.452 1.00 0.00 C ATOM 787 C LEU A 52 1.822 -8.863 8.953 1.00 0.00 C ATOM 788 O LEU A 52 1.339 -9.862 9.486 1.00 0.00 O ATOM 789 CB LEU A 52 0.865 -7.757 6.924 1.00 0.00 C ATOM 790 CG LEU A 52 0.065 -6.632 6.267 1.00 0.00 C ATOM 791 CD1 LEU A 52 0.131 -6.743 4.752 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.380 -6.658 6.743 1.00 0.00 C ATOM 0 H LEU A 52 1.798 -5.846 8.187 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.076 -7.888 8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.884 -7.723 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.438 -8.710 6.611 1.00 0.00 H new ATOM 0 HG LEU A 52 0.507 -5.679 6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.444 -5.934 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.169 -6.674 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.284 -7.701 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.935 -5.851 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.832 -7.614 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.409 -6.528 7.825 1.00 0.00 H new ATOM 804 N MET A 53 3.129 -8.696 8.780 1.00 0.00 N ATOM 805 CA MET A 53 4.092 -9.699 9.218 1.00 0.00 C ATOM 806 C MET A 53 5.121 -9.089 10.164 1.00 0.00 C ATOM 807 O MET A 53 5.615 -7.981 9.951 1.00 0.00 O ATOM 808 CB MET A 53 4.798 -10.321 8.011 1.00 0.00 C ATOM 809 CG MET A 53 3.886 -11.181 7.151 1.00 0.00 C ATOM 810 SD MET A 53 3.792 -12.886 7.729 1.00 0.00 S ATOM 811 CE MET A 53 4.094 -13.777 6.205 1.00 0.00 C ATOM 0 H MET A 53 3.545 -7.876 8.340 1.00 0.00 H new ATOM 0 HA MET A 53 3.549 -10.478 9.754 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.219 -9.525 7.397 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.632 -10.928 8.362 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.886 -10.748 7.144 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.246 -11.169 6.122 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.067 -14.849 6.399 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.326 -13.521 5.476 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.073 -13.504 5.812 1.00 0.00 H new ATOM 821 N PRO A 54 5.453 -9.825 11.235 1.00 0.00 N ATOM 822 CA PRO A 54 6.426 -9.376 12.234 1.00 0.00 C ATOM 823 C PRO A 54 7.849 -9.352 11.688 1.00 0.00 C ATOM 824 O PRO A 54 8.459 -10.398 11.472 1.00 0.00 O ATOM 825 CB PRO A 54 6.298 -10.418 13.348 1.00 0.00 C ATOM 826 CG PRO A 54 5.789 -11.641 12.665 1.00 0.00 C ATOM 827 CD PRO A 54 4.903 -11.154 11.551 1.00 0.00 C ATOM 0 HA PRO A 54 6.231 -8.355 12.562 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.258 -10.604 13.829 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.611 -10.084 14.126 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.611 -12.242 12.276 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.233 -12.273 13.358 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.939 -11.819 10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.861 -11.094 11.864 1.00 0.00 H new ATOM 835 N GLY A 55 8.373 -8.150 11.467 1.00 0.00 N ATOM 836 CA GLY A 55 9.722 -8.013 10.947 1.00 0.00 C ATOM 837 C GLY A 55 9.766 -8.047 9.432 1.00 0.00 C ATOM 838 O GLY A 55 10.472 -8.866 8.844 1.00 0.00 O ATOM 0 H GLY A 55 7.888 -7.269 11.639 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.150 -7.074 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.344 -8.815 11.344 1.00 0.00 H new ATOM 842 N SER A 56 9.008 -7.158 8.799 1.00 0.00 N ATOM 843 CA SER A 56 8.959 -7.094 7.343 1.00 0.00 C ATOM 844 C SER A 56 10.032 -6.152 6.805 1.00 0.00 C ATOM 845 O SER A 56 10.819 -6.522 5.934 1.00 0.00 O ATOM 846 CB SER A 56 7.577 -6.630 6.878 1.00 0.00 C ATOM 847 OG SER A 56 6.582 -7.584 7.208 1.00 0.00 O ATOM 0 H SER A 56 8.419 -6.472 9.271 1.00 0.00 H new ATOM 0 HA SER A 56 9.149 -8.094 6.953 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.336 -5.673 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.588 -6.469 5.800 1.00 0.00 H new ATOM 0 HG SER A 56 5.725 -7.129 7.346 1.00 0.00 H new ATOM 853 N VAL A 57 10.056 -4.930 7.330 1.00 0.00 N ATOM 854 CA VAL A 57 11.031 -3.934 6.904 1.00 0.00 C ATOM 855 C VAL A 57 12.044 -3.651 8.007 1.00 0.00 C ATOM 856 O VAL A 57 11.681 -3.502 9.173 1.00 0.00 O ATOM 857 CB VAL A 57 10.347 -2.615 6.499 1.00 0.00 C ATOM 858 CG1 VAL A 57 11.378 -1.600 6.031 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.305 -2.866 5.418 1.00 0.00 C ATOM 0 H VAL A 57 9.411 -4.607 8.051 1.00 0.00 H new ATOM 0 HA VAL A 57 11.547 -4.347 6.037 1.00 0.00 H new ATOM 0 HB VAL A 57 9.840 -2.205 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.876 -0.675 5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.083 -1.399 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.916 -1.998 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.831 -1.924 5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.787 -3.299 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.549 -3.556 5.794 1.00 0.00 H new ATOM 869 N GLU A 58 13.317 -3.576 7.630 1.00 0.00 N ATOM 870 CA GLU A 58 14.383 -3.310 8.588 1.00 0.00 C ATOM 871 C GLU A 58 14.416 -1.832 8.969 1.00 0.00 C ATOM 872 O GLU A 58 14.336 -1.480 10.146 1.00 0.00 O ATOM 873 CB GLU A 58 15.736 -3.730 8.010 1.00 0.00 C ATOM 874 CG GLU A 58 15.974 -5.230 8.046 1.00 0.00 C ATOM 875 CD GLU A 58 15.240 -5.964 6.940 1.00 0.00 C ATOM 876 OE1 GLU A 58 15.326 -5.523 5.776 1.00 0.00 O ATOM 877 OE2 GLU A 58 14.578 -6.980 7.241 1.00 0.00 O ATOM 0 H GLU A 58 13.635 -3.696 6.668 1.00 0.00 H new ATOM 0 HA GLU A 58 14.183 -3.894 9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.804 -3.385 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.530 -3.231 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.043 -5.427 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.654 -5.622 9.012 1.00 0.00 H new ATOM 884 N LYS A 59 14.536 -0.972 7.963 1.00 0.00 N ATOM 885 CA LYS A 59 14.580 0.468 8.190 1.00 0.00 C ATOM 886 C LYS A 59 14.127 1.228 6.947 1.00 0.00 C ATOM 887 O LYS A 59 14.771 1.167 5.900 1.00 0.00 O ATOM 888 CB LYS A 59 15.996 0.901 8.577 1.00 0.00 C ATOM 889 CG LYS A 59 16.417 0.437 9.960 1.00 0.00 C ATOM 890 CD LYS A 59 17.552 1.283 10.511 1.00 0.00 C ATOM 891 CE LYS A 59 18.089 0.715 11.816 1.00 0.00 C ATOM 892 NZ LYS A 59 17.067 0.751 12.899 1.00 0.00 N ATOM 0 H LYS A 59 14.604 -1.247 6.983 1.00 0.00 H new ATOM 0 HA LYS A 59 13.898 0.703 9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.700 0.511 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.059 1.988 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.564 0.486 10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.729 -0.607 9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.357 1.336 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.202 2.302 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.414 -0.313 11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.966 1.283 12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.492 0.419 13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.725 1.726 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.270 0.134 12.644 1.00 0.00 H new ATOM 906 N PHE A 60 13.015 1.945 7.071 1.00 0.00 N ATOM 907 CA PHE A 60 12.476 2.718 5.958 1.00 0.00 C ATOM 908 C PHE A 60 12.446 4.206 6.293 1.00 0.00 C ATOM 909 O PHE A 60 12.743 4.606 7.419 1.00 0.00 O ATOM 910 CB PHE A 60 11.067 2.234 5.608 1.00 0.00 C ATOM 911 CG PHE A 60 10.111 2.287 6.764 1.00 0.00 C ATOM 912 CD1 PHE A 60 10.260 1.432 7.844 1.00 0.00 C ATOM 913 CD2 PHE A 60 9.062 3.193 6.772 1.00 0.00 C ATOM 914 CE1 PHE A 60 9.381 1.479 8.910 1.00 0.00 C ATOM 915 CE2 PHE A 60 8.180 3.245 7.835 1.00 0.00 C ATOM 916 CZ PHE A 60 8.340 2.387 8.905 1.00 0.00 C ATOM 0 H PHE A 60 12.470 2.007 7.931 1.00 0.00 H new ATOM 0 HA PHE A 60 13.128 2.571 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.674 2.843 4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.124 1.209 5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.072 0.720 7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.932 3.866 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.508 0.807 9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.367 3.956 7.829 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.652 2.426 9.737 1.00 0.00 H new ATOM 926 N CYS A 61 12.085 5.021 5.307 1.00 0.00 N ATOM 927 CA CYS A 61 12.017 6.466 5.496 1.00 0.00 C ATOM 928 C CYS A 61 10.611 6.895 5.903 1.00 0.00 C ATOM 929 O CYS A 61 9.664 6.776 5.124 1.00 0.00 O ATOM 930 CB CYS A 61 12.434 7.189 4.215 1.00 0.00 C ATOM 931 SG CYS A 61 13.166 8.819 4.491 1.00 0.00 S ATOM 0 H CYS A 61 11.835 4.706 4.370 1.00 0.00 H new ATOM 0 HA CYS A 61 12.706 6.736 6.297 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.150 6.568 3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.561 7.299 3.572 1.00 0.00 H new ATOM 0 HG CYS A 61 14.426 8.788 4.174 1.00 0.00 H new ATOM 937 N LEU A 62 10.482 7.395 7.127 1.00 0.00 N ATOM 938 CA LEU A 62 9.191 7.841 7.639 1.00 0.00 C ATOM 939 C LEU A 62 8.781 9.165 7.002 1.00 0.00 C ATOM 940 O LEU A 62 7.634 9.337 6.587 1.00 0.00 O ATOM 941 CB LEU A 62 9.247 7.990 9.160 1.00 0.00 C ATOM 942 CG LEU A 62 9.284 6.687 9.961 1.00 0.00 C ATOM 943 CD1 LEU A 62 9.565 6.971 11.428 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.975 5.927 9.804 1.00 0.00 C ATOM 0 H LEU A 62 11.256 7.502 7.783 1.00 0.00 H new ATOM 0 HA LEU A 62 8.446 7.088 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.130 8.575 9.415 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.379 8.566 9.481 1.00 0.00 H new ATOM 0 HG LEU A 62 10.090 6.066 9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.588 6.033 11.982 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.528 7.472 11.524 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.781 7.612 11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.019 5.003 10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.151 6.542 10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.815 5.691 8.752 1.00 0.00 H new ATOM 956 N ASP A 63 9.725 10.096 6.926 1.00 0.00 N ATOM 957 CA ASP A 63 9.463 11.404 6.336 1.00 0.00 C ATOM 958 C ASP A 63 10.442 11.695 5.203 1.00 0.00 C ATOM 959 O ASP A 63 11.446 12.385 5.379 1.00 0.00 O ATOM 960 CB ASP A 63 9.559 12.496 7.403 1.00 0.00 C ATOM 961 CG ASP A 63 8.430 12.421 8.411 1.00 0.00 C ATOM 962 OD1 ASP A 63 8.520 11.593 9.341 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.456 13.191 8.271 1.00 0.00 O ATOM 0 H ASP A 63 10.679 9.970 7.265 1.00 0.00 H new ATOM 0 HA ASP A 63 8.453 11.395 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.513 12.409 7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.547 13.473 6.921 1.00 0.00 H new ATOM 968 N PRO A 64 10.145 11.155 4.011 1.00 0.00 N ATOM 969 CA PRO A 64 10.987 11.343 2.826 1.00 0.00 C ATOM 970 C PRO A 64 10.938 12.773 2.300 1.00 0.00 C ATOM 971 O PRO A 64 10.011 13.149 1.583 1.00 0.00 O ATOM 972 CB PRO A 64 10.381 10.377 1.804 1.00 0.00 C ATOM 973 CG PRO A 64 8.962 10.217 2.229 1.00 0.00 C ATOM 974 CD PRO A 64 8.965 10.322 3.729 1.00 0.00 C ATOM 0 HA PRO A 64 12.039 11.155 3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.449 10.777 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.904 9.421 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.332 10.988 1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.564 9.255 1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.050 10.783 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.043 9.342 4.200 1.00 0.00 H new ATOM 982 N GLN A 65 11.941 13.567 2.662 1.00 0.00 N ATOM 983 CA GLN A 65 12.011 14.956 2.226 1.00 0.00 C ATOM 984 C GLN A 65 12.163 15.045 0.711 1.00 0.00 C ATOM 985 O GLN A 65 11.617 15.945 0.073 1.00 0.00 O ATOM 986 CB GLN A 65 13.178 15.670 2.911 1.00 0.00 C ATOM 987 CG GLN A 65 12.854 16.158 4.313 1.00 0.00 C ATOM 988 CD GLN A 65 14.095 16.504 5.112 1.00 0.00 C ATOM 989 OE1 GLN A 65 14.993 17.188 4.620 1.00 0.00 O ATOM 990 NE2 GLN A 65 14.152 16.032 6.352 1.00 0.00 N ATOM 0 H GLN A 65 12.716 13.272 3.256 1.00 0.00 H new ATOM 0 HA GLN A 65 11.079 15.446 2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.030 14.992 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.482 16.520 2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.212 17.036 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.290 15.389 4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.385 15.469 6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.963 16.232 6.937 1.00 0.00 H new ATOM 999 N THR A 66 12.910 14.105 0.141 1.00 0.00 N ATOM 1000 CA THR A 66 13.136 14.077 -1.299 1.00 0.00 C ATOM 1001 C THR A 66 12.676 12.755 -1.902 1.00 0.00 C ATOM 1002 O THR A 66 12.356 11.811 -1.181 1.00 0.00 O ATOM 1003 CB THR A 66 14.623 14.294 -1.638 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.416 13.256 -1.051 1.00 0.00 O ATOM 1005 CG2 THR A 66 15.101 15.648 -1.138 1.00 0.00 C ATOM 0 H THR A 66 13.369 13.353 0.655 1.00 0.00 H new ATOM 0 HA THR A 66 12.551 14.891 -1.727 1.00 0.00 H new ATOM 0 HB THR A 66 14.733 14.266 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.360 13.400 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.154 15.778 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.515 16.437 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.977 15.701 -0.056 1.00 0.00 H new ATOM 1013 N GLU A 67 12.647 12.694 -3.230 1.00 0.00 N ATOM 1014 CA GLU A 67 12.226 11.486 -3.930 1.00 0.00 C ATOM 1015 C GLU A 67 13.067 10.288 -3.501 1.00 0.00 C ATOM 1016 O GLU A 67 12.537 9.275 -3.044 1.00 0.00 O ATOM 1017 CB GLU A 67 12.333 11.683 -5.443 1.00 0.00 C ATOM 1018 CG GLU A 67 12.153 10.401 -6.238 1.00 0.00 C ATOM 1019 CD GLU A 67 12.411 10.592 -7.720 1.00 0.00 C ATOM 1020 OE1 GLU A 67 12.266 11.734 -8.204 1.00 0.00 O ATOM 1021 OE2 GLU A 67 12.757 9.600 -8.395 1.00 0.00 O ATOM 0 H GLU A 67 12.910 13.466 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 67 11.186 11.290 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.582 12.406 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.307 12.112 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.830 9.640 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.139 10.029 -6.095 1.00 0.00 H new ATOM 1028 N ALA A 68 14.382 10.410 -3.652 1.00 0.00 N ATOM 1029 CA ALA A 68 15.297 9.339 -3.280 1.00 0.00 C ATOM 1030 C ALA A 68 14.826 8.630 -2.014 1.00 0.00 C ATOM 1031 O ALA A 68 14.871 7.403 -1.926 1.00 0.00 O ATOM 1032 CB ALA A 68 16.703 9.888 -3.088 1.00 0.00 C ATOM 0 H ALA A 68 14.837 11.241 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 68 15.312 8.610 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.376 9.077 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.046 10.342 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.696 10.639 -2.298 1.00 0.00 H new ATOM 1038 N ASP A 69 14.377 9.410 -1.038 1.00 0.00 N ATOM 1039 CA ASP A 69 13.897 8.856 0.224 1.00 0.00 C ATOM 1040 C ASP A 69 12.576 8.119 0.026 1.00 0.00 C ATOM 1041 O ASP A 69 12.353 7.058 0.610 1.00 0.00 O ATOM 1042 CB ASP A 69 13.726 9.968 1.260 1.00 0.00 C ATOM 1043 CG ASP A 69 15.012 10.269 2.004 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.767 9.317 2.295 1.00 0.00 O ATOM 1045 OD2 ASP A 69 15.264 11.457 2.295 1.00 0.00 O ATOM 0 H ASP A 69 14.335 10.428 -1.095 1.00 0.00 H new ATOM 0 HA ASP A 69 14.638 8.144 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.377 10.873 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.955 9.679 1.975 1.00 0.00 H new ATOM 1050 N CYS A 70 11.704 8.689 -0.798 1.00 0.00 N ATOM 1051 CA CYS A 70 10.404 8.087 -1.071 1.00 0.00 C ATOM 1052 C CYS A 70 10.564 6.744 -1.776 1.00 0.00 C ATOM 1053 O CYS A 70 10.009 5.734 -1.343 1.00 0.00 O ATOM 1054 CB CYS A 70 9.552 9.027 -1.925 1.00 0.00 C ATOM 1055 SG CYS A 70 8.649 10.273 -0.974 1.00 0.00 S ATOM 0 H CYS A 70 11.874 9.567 -1.289 1.00 0.00 H new ATOM 0 HA CYS A 70 9.902 7.919 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.197 9.531 -2.645 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.838 8.434 -2.497 1.00 0.00 H new ATOM 0 HG CYS A 70 7.960 11.021 -1.783 1.00 0.00 H new ATOM 1061 N ILE A 71 11.324 6.741 -2.866 1.00 0.00 N ATOM 1062 CA ILE A 71 11.556 5.523 -3.632 1.00 0.00 C ATOM 1063 C ILE A 71 12.050 4.394 -2.733 1.00 0.00 C ATOM 1064 O ILE A 71 11.519 3.285 -2.765 1.00 0.00 O ATOM 1065 CB ILE A 71 12.581 5.753 -4.758 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.060 6.799 -5.745 1.00 0.00 C ATOM 1067 CG2 ILE A 71 12.883 4.445 -5.474 1.00 0.00 C ATOM 1068 CD1 ILE A 71 10.781 6.391 -6.440 1.00 0.00 C ATOM 0 H ILE A 71 11.790 7.569 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 71 10.600 5.241 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 71 13.506 6.125 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.892 7.736 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.826 6.991 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.609 4.624 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.292 3.727 -4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.965 4.046 -5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.471 7.181 -7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.949 5.471 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.000 6.227 -5.698 1.00 0.00 H new ATOM 1080 N ASN A 72 13.068 4.687 -1.930 1.00 0.00 N ATOM 1081 CA ASN A 72 13.633 3.696 -1.021 1.00 0.00 C ATOM 1082 C ASN A 72 12.534 2.999 -0.225 1.00 0.00 C ATOM 1083 O ASN A 72 12.609 1.799 0.035 1.00 0.00 O ATOM 1084 CB ASN A 72 14.627 4.360 -0.065 1.00 0.00 C ATOM 1085 CG ASN A 72 16.031 4.409 -0.634 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.449 3.509 -1.364 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.768 5.462 -0.302 1.00 0.00 N ATOM 0 H ASN A 72 13.518 5.601 -1.890 1.00 0.00 H new ATOM 0 HA ASN A 72 14.155 2.948 -1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.292 5.373 0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.639 3.815 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.721 5.549 -0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.381 6.184 0.306 1.00 0.00 H new ATOM 1094 N ASN A 73 11.513 3.760 0.156 1.00 0.00 N ATOM 1095 CA ASN A 73 10.398 3.215 0.922 1.00 0.00 C ATOM 1096 C ASN A 73 9.651 2.156 0.117 1.00 0.00 C ATOM 1097 O ASN A 73 9.362 1.069 0.619 1.00 0.00 O ATOM 1098 CB ASN A 73 9.437 4.334 1.329 1.00 0.00 C ATOM 1099 CG ASN A 73 10.090 5.353 2.243 1.00 0.00 C ATOM 1100 OD1 ASN A 73 11.266 5.233 2.584 1.00 0.00 O ATOM 1101 ND2 ASN A 73 9.327 6.363 2.643 1.00 0.00 N ATOM 0 H ASN A 73 11.435 4.755 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 73 10.801 2.746 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.068 4.836 0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.572 3.901 1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.711 7.080 3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.356 6.422 2.335 1.00 0.00 H new ATOM 1108 N ILE A 74 9.343 2.480 -1.134 1.00 0.00 N ATOM 1109 CA ILE A 74 8.631 1.557 -2.010 1.00 0.00 C ATOM 1110 C ILE A 74 9.362 0.222 -2.111 1.00 0.00 C ATOM 1111 O ILE A 74 8.804 -0.828 -1.797 1.00 0.00 O ATOM 1112 CB ILE A 74 8.457 2.142 -3.423 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.699 3.470 -3.359 1.00 0.00 C ATOM 1114 CG2 ILE A 74 7.728 1.152 -4.320 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.719 4.240 -4.661 1.00 0.00 C ATOM 0 H ILE A 74 9.575 3.375 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 74 7.647 1.398 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 74 9.444 2.329 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.664 3.275 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.132 4.089 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.612 1.580 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.304 0.229 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.745 0.937 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.163 5.170 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.750 4.466 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.259 3.640 -5.446 1.00 0.00 H new ATOM 1127 N ASN A 75 10.616 0.272 -2.549 1.00 0.00 N ATOM 1128 CA ASN A 75 11.425 -0.933 -2.690 1.00 0.00 C ATOM 1129 C ASN A 75 11.347 -1.791 -1.431 1.00 0.00 C ATOM 1130 O ASN A 75 11.057 -2.985 -1.498 1.00 0.00 O ATOM 1131 CB ASN A 75 12.881 -0.564 -2.981 1.00 0.00 C ATOM 1132 CG ASN A 75 13.150 -0.396 -4.463 1.00 0.00 C ATOM 1133 OD1 ASN A 75 13.465 -1.359 -5.162 1.00 0.00 O ATOM 1134 ND2 ASN A 75 13.027 0.833 -4.951 1.00 0.00 N ATOM 0 H ASN A 75 11.094 1.134 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 75 11.030 -1.510 -3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.129 0.362 -2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.536 -1.338 -2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.196 1.008 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.764 1.602 -4.335 1.00 0.00 H new ATOM 1141 N ASP A 76 11.609 -1.173 -0.284 1.00 0.00 N ATOM 1142 CA ASP A 76 11.567 -1.879 0.991 1.00 0.00 C ATOM 1143 C ASP A 76 10.298 -2.718 1.107 1.00 0.00 C ATOM 1144 O ASP A 76 10.354 -3.906 1.428 1.00 0.00 O ATOM 1145 CB ASP A 76 11.643 -0.885 2.151 1.00 0.00 C ATOM 1146 CG ASP A 76 13.071 -0.591 2.569 1.00 0.00 C ATOM 1147 OD1 ASP A 76 13.955 -1.427 2.289 1.00 0.00 O ATOM 1148 OD2 ASP A 76 13.304 0.476 3.176 1.00 0.00 O ATOM 0 H ASP A 76 11.853 -0.185 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 76 12.428 -2.546 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.153 0.045 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.093 -1.283 3.003 1.00 0.00 H new ATOM 1153 N PHE A 77 9.155 -2.093 0.844 1.00 0.00 N ATOM 1154 CA PHE A 77 7.872 -2.782 0.920 1.00 0.00 C ATOM 1155 C PHE A 77 7.888 -4.056 0.081 1.00 0.00 C ATOM 1156 O PHE A 77 7.446 -5.114 0.530 1.00 0.00 O ATOM 1157 CB PHE A 77 6.746 -1.860 0.447 1.00 0.00 C ATOM 1158 CG PHE A 77 5.446 -2.575 0.211 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.787 -3.204 1.255 1.00 0.00 C ATOM 1160 CD2 PHE A 77 4.884 -2.618 -1.055 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.590 -3.862 1.041 1.00 0.00 C ATOM 1162 CE2 PHE A 77 3.688 -3.274 -1.274 1.00 0.00 C ATOM 1163 CZ PHE A 77 3.041 -3.898 -0.226 1.00 0.00 C ATOM 0 H PHE A 77 9.091 -1.111 0.576 1.00 0.00 H new ATOM 0 HA PHE A 77 7.696 -3.056 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.592 -1.077 1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.054 -1.368 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.213 -3.180 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.386 -2.134 -1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.085 -4.347 1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.259 -3.299 -2.265 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.107 -4.413 -0.397 1.00 0.00 H new ATOM 1173 N LEU A 78 8.400 -3.947 -1.140 1.00 0.00 N ATOM 1174 CA LEU A 78 8.474 -5.090 -2.043 1.00 0.00 C ATOM 1175 C LEU A 78 9.308 -6.213 -1.434 1.00 0.00 C ATOM 1176 O LEU A 78 8.938 -7.385 -1.507 1.00 0.00 O ATOM 1177 CB LEU A 78 9.072 -4.666 -3.386 1.00 0.00 C ATOM 1178 CG LEU A 78 8.288 -3.610 -4.166 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.156 -2.995 -5.252 1.00 0.00 C ATOM 1180 CD2 LEU A 78 7.029 -4.217 -4.768 1.00 0.00 C ATOM 0 H LEU A 78 8.770 -3.079 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 78 7.462 -5.461 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.078 -4.286 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.172 -5.552 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 78 7.993 -2.821 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.581 -2.246 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.028 -2.524 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.482 -3.774 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.484 -3.451 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.303 -5.026 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.397 -4.609 -3.971 1.00 0.00 H new ATOM 1192 N LYS A 79 10.434 -5.846 -0.832 1.00 0.00 N ATOM 1193 CA LYS A 79 11.319 -6.821 -0.207 1.00 0.00 C ATOM 1194 C LYS A 79 10.521 -7.857 0.579 1.00 0.00 C ATOM 1195 O LYS A 79 10.844 -9.044 0.567 1.00 0.00 O ATOM 1196 CB LYS A 79 12.313 -6.117 0.721 1.00 0.00 C ATOM 1197 CG LYS A 79 13.157 -5.065 0.022 1.00 0.00 C ATOM 1198 CD LYS A 79 14.299 -5.695 -0.759 1.00 0.00 C ATOM 1199 CE LYS A 79 15.496 -4.761 -0.846 1.00 0.00 C ATOM 1200 NZ LYS A 79 16.724 -5.473 -1.293 1.00 0.00 N ATOM 0 H LYS A 79 10.755 -4.880 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 79 11.868 -7.334 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.765 -5.647 1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.972 -6.862 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.530 -4.484 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.559 -4.371 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.598 -6.628 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.959 -5.947 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.274 -3.950 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.674 -4.307 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.517 -4.802 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.951 -6.231 -0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.563 -5.885 -2.234 1.00 0.00 H new ATOM 1214 N GLY A 80 9.475 -7.398 1.261 1.00 0.00 N ATOM 1215 CA GLY A 80 8.646 -8.298 2.041 1.00 0.00 C ATOM 1216 C GLY A 80 7.558 -8.950 1.212 1.00 0.00 C ATOM 1217 O GLY A 80 7.250 -10.128 1.394 1.00 0.00 O ATOM 0 H GLY A 80 9.188 -6.420 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.273 -9.071 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.190 -7.746 2.863 1.00 0.00 H new ATOM 1221 N CYS A 81 6.972 -8.182 0.299 1.00 0.00 N ATOM 1222 CA CYS A 81 5.909 -8.691 -0.560 1.00 0.00 C ATOM 1223 C CYS A 81 6.312 -10.018 -1.195 1.00 0.00 C ATOM 1224 O CYS A 81 5.507 -10.944 -1.283 1.00 0.00 O ATOM 1225 CB CYS A 81 5.573 -7.671 -1.649 1.00 0.00 C ATOM 1226 SG CYS A 81 4.821 -6.148 -1.028 1.00 0.00 S ATOM 0 H CYS A 81 7.215 -7.205 0.135 1.00 0.00 H new ATOM 0 HA CYS A 81 5.025 -8.858 0.056 1.00 0.00 H new ATOM 0 HB2 CYS A 81 6.485 -7.419 -2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.894 -8.132 -2.367 1.00 0.00 H new ATOM 0 HG CYS A 81 4.615 -5.331 -2.018 1.00 0.00 H new ATOM 1232 N ALA A 82 7.562 -10.100 -1.638 1.00 0.00 N ATOM 1233 CA ALA A 82 8.072 -11.314 -2.265 1.00 0.00 C ATOM 1234 C ALA A 82 7.685 -12.551 -1.462 1.00 0.00 C ATOM 1235 O ALA A 82 7.281 -13.569 -2.024 1.00 0.00 O ATOM 1236 CB ALA A 82 9.583 -11.233 -2.420 1.00 0.00 C ATOM 0 H ALA A 82 8.240 -9.341 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 82 7.621 -11.400 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.950 -12.146 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.839 -10.376 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.044 -11.119 -1.439 1.00 0.00 H new ATOM 1242 N THR A 83 7.813 -12.457 -0.142 1.00 0.00 N ATOM 1243 CA THR A 83 7.479 -13.569 0.739 1.00 0.00 C ATOM 1244 C THR A 83 6.105 -14.140 0.408 1.00 0.00 C ATOM 1245 O THR A 83 5.917 -15.357 0.379 1.00 0.00 O ATOM 1246 CB THR A 83 7.501 -13.140 2.219 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.771 -12.564 2.543 1.00 0.00 O ATOM 1248 CG2 THR A 83 7.228 -14.327 3.130 1.00 0.00 C ATOM 0 H THR A 83 8.146 -11.622 0.340 1.00 0.00 H new ATOM 0 HA THR A 83 8.236 -14.336 0.579 1.00 0.00 H new ATOM 0 HB THR A 83 6.717 -12.398 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.774 -11.616 2.294 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.249 -14.000 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.248 -14.744 2.900 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.992 -15.089 2.974 1.00 0.00 H new ATOM 1256 N LEU A 84 5.147 -13.255 0.157 1.00 0.00 N ATOM 1257 CA LEU A 84 3.788 -13.671 -0.174 1.00 0.00 C ATOM 1258 C LEU A 84 3.733 -14.289 -1.568 1.00 0.00 C ATOM 1259 O LEU A 84 2.857 -15.103 -1.861 1.00 0.00 O ATOM 1260 CB LEU A 84 2.835 -12.478 -0.094 1.00 0.00 C ATOM 1261 CG LEU A 84 2.838 -11.703 1.224 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.407 -10.262 0.998 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.933 -12.379 2.243 1.00 0.00 C ATOM 0 H LEU A 84 5.286 -12.245 0.176 1.00 0.00 H new ATOM 0 HA LEU A 84 3.478 -14.424 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.082 -11.786 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.822 -12.835 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 84 3.854 -11.699 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.415 -9.727 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.096 -9.781 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.400 -10.245 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.948 -11.813 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.914 -12.416 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.288 -13.393 2.428 1.00 0.00 H new ATOM 1275 N GLN A 85 4.673 -13.897 -2.421 1.00 0.00 N ATOM 1276 CA GLN A 85 4.731 -14.414 -3.783 1.00 0.00 C ATOM 1277 C GLN A 85 3.481 -14.026 -4.566 1.00 0.00 C ATOM 1278 O GLN A 85 2.854 -14.866 -5.211 1.00 0.00 O ATOM 1279 CB GLN A 85 4.886 -15.935 -3.768 1.00 0.00 C ATOM 1280 CG GLN A 85 6.151 -16.411 -3.072 1.00 0.00 C ATOM 1281 CD GLN A 85 6.169 -17.912 -2.856 1.00 0.00 C ATOM 1282 OE1 GLN A 85 5.457 -18.436 -1.999 1.00 0.00 O ATOM 1283 NE2 GLN A 85 6.985 -18.612 -3.635 1.00 0.00 N ATOM 0 H GLN A 85 5.405 -13.224 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 85 5.598 -13.973 -4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.021 -16.375 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.886 -16.302 -4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.018 -16.123 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.243 -15.908 -2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.557 -18.136 -4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.040 -19.626 -3.536 1.00 0.00 H new ATOM 1292 N VAL A 86 3.124 -12.747 -4.506 1.00 0.00 N ATOM 1293 CA VAL A 86 1.949 -12.247 -5.209 1.00 0.00 C ATOM 1294 C VAL A 86 2.338 -11.219 -6.266 1.00 0.00 C ATOM 1295 O VAL A 86 3.488 -10.787 -6.332 1.00 0.00 O ATOM 1296 CB VAL A 86 0.940 -11.610 -4.236 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.395 -12.654 -3.273 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.585 -10.459 -3.478 1.00 0.00 C ATOM 0 H VAL A 86 3.632 -12.038 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 86 1.482 -13.104 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 86 0.106 -11.212 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.316 -12.186 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.106 -13.442 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.216 -13.084 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.858 -10.020 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.438 -10.830 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.922 -9.701 -4.185 1.00 0.00 H new ATOM 1308 N GLU A 87 1.369 -10.830 -7.090 1.00 0.00 N ATOM 1309 CA GLU A 87 1.611 -9.852 -8.144 1.00 0.00 C ATOM 1310 C GLU A 87 2.349 -8.633 -7.597 1.00 0.00 C ATOM 1311 O GLU A 87 1.913 -8.016 -6.625 1.00 0.00 O ATOM 1312 CB GLU A 87 0.289 -9.418 -8.781 1.00 0.00 C ATOM 1313 CG GLU A 87 -0.428 -10.537 -9.517 1.00 0.00 C ATOM 1314 CD GLU A 87 -1.673 -10.058 -10.238 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -2.506 -9.382 -9.599 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -1.813 -10.358 -11.442 1.00 0.00 O ATOM 0 H GLU A 87 0.411 -11.177 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 87 2.235 -10.322 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.368 -9.026 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.482 -8.602 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.254 -10.988 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.702 -11.317 -8.806 1.00 0.00 H new ATOM 1323 N ILE A 88 3.468 -8.294 -8.227 1.00 0.00 N ATOM 1324 CA ILE A 88 4.266 -7.150 -7.804 1.00 0.00 C ATOM 1325 C ILE A 88 4.256 -6.052 -8.862 1.00 0.00 C ATOM 1326 O ILE A 88 3.576 -6.164 -9.882 1.00 0.00 O ATOM 1327 CB ILE A 88 5.723 -7.556 -7.516 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.349 -8.206 -8.751 1.00 0.00 C ATOM 1329 CG2 ILE A 88 5.784 -8.501 -6.325 1.00 0.00 C ATOM 1330 CD1 ILE A 88 7.842 -7.990 -8.858 1.00 0.00 C ATOM 0 H ILE A 88 3.843 -8.795 -9.032 1.00 0.00 H new ATOM 0 HA ILE A 88 3.815 -6.772 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 88 6.293 -6.659 -7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.146 -9.277 -8.730 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.868 -7.808 -9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.820 -8.779 -6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.373 -8.005 -5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.202 -9.397 -6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.217 -8.479 -9.757 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.052 -6.922 -8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.335 -8.414 -7.983 1.00 0.00 H new ATOM 1342 N PHE A 89 5.015 -4.990 -8.612 1.00 0.00 N ATOM 1343 CA PHE A 89 5.095 -3.871 -9.544 1.00 0.00 C ATOM 1344 C PHE A 89 6.385 -3.082 -9.337 1.00 0.00 C ATOM 1345 O PHE A 89 7.137 -3.338 -8.397 1.00 0.00 O ATOM 1346 CB PHE A 89 3.887 -2.949 -9.370 1.00 0.00 C ATOM 1347 CG PHE A 89 3.670 -2.505 -7.951 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.447 -1.500 -7.399 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.690 -3.095 -7.169 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.250 -1.089 -6.094 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.488 -2.688 -5.864 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.270 -1.685 -5.325 1.00 0.00 C ATOM 0 H PHE A 89 5.583 -4.881 -7.772 1.00 0.00 H new ATOM 0 HA PHE A 89 5.094 -4.273 -10.557 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.017 -2.070 -10.001 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.993 -3.464 -9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.216 -1.032 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.077 -3.882 -7.584 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.862 -0.303 -5.676 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.719 -3.154 -5.266 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.115 -1.368 -4.304 1.00 0.00 H new ATOM 1362 N ASP A 90 6.633 -2.124 -10.223 1.00 0.00 N ATOM 1363 CA ASP A 90 7.831 -1.297 -10.139 1.00 0.00 C ATOM 1364 C ASP A 90 7.563 -0.032 -9.329 1.00 0.00 C ATOM 1365 O ASP A 90 6.420 0.393 -9.156 1.00 0.00 O ATOM 1366 CB ASP A 90 8.321 -0.927 -11.540 1.00 0.00 C ATOM 1367 CG ASP A 90 9.266 -1.963 -12.116 1.00 0.00 C ATOM 1368 OD1 ASP A 90 8.842 -3.127 -12.277 1.00 0.00 O ATOM 1369 OD2 ASP A 90 10.428 -1.611 -12.405 1.00 0.00 O ATOM 0 H ASP A 90 6.021 -1.901 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 90 8.605 -1.873 -9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.463 -0.813 -12.203 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.825 0.039 -11.502 1.00 0.00 H new ATOM 1374 N PRO A 91 8.640 0.585 -8.820 1.00 0.00 N ATOM 1375 CA PRO A 91 8.546 1.809 -8.020 1.00 0.00 C ATOM 1376 C PRO A 91 8.127 3.016 -8.854 1.00 0.00 C ATOM 1377 O PRO A 91 7.864 4.092 -8.317 1.00 0.00 O ATOM 1378 CB PRO A 91 9.969 1.995 -7.487 1.00 0.00 C ATOM 1379 CG PRO A 91 10.837 1.297 -8.476 1.00 0.00 C ATOM 1380 CD PRO A 91 10.032 0.134 -8.987 1.00 0.00 C ATOM 0 HA PRO A 91 7.791 1.728 -7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.228 3.051 -7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.078 1.565 -6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.116 1.966 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.762 0.957 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.261 -0.086 -10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.232 -0.774 -8.418 1.00 0.00 H new ATOM 1388 N ASP A 92 8.068 2.829 -10.167 1.00 0.00 N ATOM 1389 CA ASP A 92 7.680 3.902 -11.075 1.00 0.00 C ATOM 1390 C ASP A 92 6.164 3.954 -11.239 1.00 0.00 C ATOM 1391 O ASP A 92 5.556 5.021 -11.155 1.00 0.00 O ATOM 1392 CB ASP A 92 8.346 3.712 -12.439 1.00 0.00 C ATOM 1393 CG ASP A 92 7.552 4.343 -13.565 1.00 0.00 C ATOM 1394 OD1 ASP A 92 7.296 5.564 -13.499 1.00 0.00 O ATOM 1395 OD2 ASP A 92 7.186 3.617 -14.512 1.00 0.00 O ATOM 0 H ASP A 92 8.284 1.945 -10.627 1.00 0.00 H new ATOM 0 HA ASP A 92 8.014 4.846 -10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.345 4.146 -12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.466 2.647 -12.636 1.00 0.00 H new ATOM 1400 N ASP A 93 5.560 2.794 -11.475 1.00 0.00 N ATOM 1401 CA ASP A 93 4.115 2.707 -11.651 1.00 0.00 C ATOM 1402 C ASP A 93 3.384 3.287 -10.444 1.00 0.00 C ATOM 1403 O ASP A 93 2.283 3.825 -10.570 1.00 0.00 O ATOM 1404 CB ASP A 93 3.693 1.253 -11.868 1.00 0.00 C ATOM 1405 CG ASP A 93 3.356 0.548 -10.568 1.00 0.00 C ATOM 1406 OD1 ASP A 93 4.088 0.750 -9.576 1.00 0.00 O ATOM 1407 OD2 ASP A 93 2.360 -0.205 -10.543 1.00 0.00 O ATOM 0 H ASP A 93 6.049 1.902 -11.549 1.00 0.00 H new ATOM 0 HA ASP A 93 3.845 3.291 -12.531 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.827 1.224 -12.529 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.497 0.716 -12.372 1.00 0.00 H new ATOM 1412 N LEU A 94 4.003 3.173 -9.274 1.00 0.00 N ATOM 1413 CA LEU A 94 3.411 3.685 -8.042 1.00 0.00 C ATOM 1414 C LEU A 94 3.693 5.176 -7.882 1.00 0.00 C ATOM 1415 O LEU A 94 2.798 5.955 -7.552 1.00 0.00 O ATOM 1416 CB LEU A 94 3.955 2.919 -6.835 1.00 0.00 C ATOM 1417 CG LEU A 94 3.621 3.505 -5.463 1.00 0.00 C ATOM 1418 CD1 LEU A 94 2.117 3.507 -5.235 1.00 0.00 C ATOM 1419 CD2 LEU A 94 4.327 2.724 -4.364 1.00 0.00 C ATOM 0 H LEU A 94 4.914 2.731 -9.152 1.00 0.00 H new ATOM 0 HA LEU A 94 2.332 3.542 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.573 1.899 -6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.039 2.857 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 94 3.974 4.536 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.898 3.928 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.633 4.109 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.740 2.485 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.078 3.155 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.004 1.683 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.405 2.774 -4.517 1.00 0.00 H new ATOM 1431 N TYR A 95 4.940 5.566 -8.120 1.00 0.00 N ATOM 1432 CA TYR A 95 5.340 6.963 -8.001 1.00 0.00 C ATOM 1433 C TYR A 95 4.717 7.804 -9.112 1.00 0.00 C ATOM 1434 O TYR A 95 3.968 8.744 -8.848 1.00 0.00 O ATOM 1435 CB TYR A 95 6.864 7.085 -8.048 1.00 0.00 C ATOM 1436 CG TYR A 95 7.388 8.365 -7.437 1.00 0.00 C ATOM 1437 CD1 TYR A 95 7.499 9.525 -8.195 1.00 0.00 C ATOM 1438 CD2 TYR A 95 7.772 8.415 -6.103 1.00 0.00 C ATOM 1439 CE1 TYR A 95 7.978 10.696 -7.641 1.00 0.00 C ATOM 1440 CE2 TYR A 95 8.250 9.583 -5.541 1.00 0.00 C ATOM 1441 CZ TYR A 95 8.352 10.720 -6.314 1.00 0.00 C ATOM 1442 OH TYR A 95 8.829 11.885 -5.757 1.00 0.00 O ATOM 0 H TYR A 95 5.692 4.934 -8.397 1.00 0.00 H new ATOM 0 HA TYR A 95 4.982 7.337 -7.042 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.304 6.236 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.193 7.026 -9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.206 9.510 -9.234 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.696 7.526 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.059 11.588 -8.244 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.542 9.605 -4.502 1.00 0.00 H new ATOM 0 HH TYR A 95 9.046 11.732 -4.814 1.00 0.00 H new ATOM 1452 N SER A 96 5.032 7.456 -10.356 1.00 0.00 N ATOM 1453 CA SER A 96 4.507 8.180 -11.508 1.00 0.00 C ATOM 1454 C SER A 96 3.021 7.890 -11.699 1.00 0.00 C ATOM 1455 O SER A 96 2.180 8.775 -11.545 1.00 0.00 O ATOM 1456 CB SER A 96 5.279 7.798 -12.772 1.00 0.00 C ATOM 1457 OG SER A 96 6.600 8.312 -12.737 1.00 0.00 O ATOM 0 H SER A 96 5.648 6.678 -10.592 1.00 0.00 H new ATOM 0 HA SER A 96 4.631 9.247 -11.324 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.310 6.713 -12.869 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.759 8.182 -13.650 1.00 0.00 H new ATOM 0 HG SER A 96 7.234 7.601 -12.966 1.00 0.00 H new ATOM 1463 N GLY A 97 2.706 6.644 -12.038 1.00 0.00 N ATOM 1464 CA GLY A 97 1.322 6.258 -12.246 1.00 0.00 C ATOM 1465 C GLY A 97 1.077 5.704 -13.635 1.00 0.00 C ATOM 1466 O GLY A 97 0.017 5.923 -14.222 1.00 0.00 O ATOM 0 H GLY A 97 3.385 5.894 -12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.042 5.509 -11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.679 7.123 -12.085 1.00 0.00 H new ATOM 1470 N VAL A 98 2.061 4.984 -14.165 1.00 0.00 N ATOM 1471 CA VAL A 98 1.948 4.396 -15.495 1.00 0.00 C ATOM 1472 C VAL A 98 0.969 3.227 -15.498 1.00 0.00 C ATOM 1473 O VAL A 98 0.045 3.181 -16.308 1.00 0.00 O ATOM 1474 CB VAL A 98 3.315 3.908 -16.011 1.00 0.00 C ATOM 1475 CG1 VAL A 98 3.220 3.503 -17.474 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.373 4.983 -15.814 1.00 0.00 C ATOM 0 H VAL A 98 2.945 4.794 -13.694 1.00 0.00 H new ATOM 0 HA VAL A 98 1.577 5.179 -16.156 1.00 0.00 H new ATOM 0 HB VAL A 98 3.610 3.031 -15.435 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.195 3.161 -17.821 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.494 2.698 -17.582 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.903 4.360 -18.069 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.332 4.621 -16.184 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.087 5.880 -16.363 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.459 5.219 -14.753 1.00 0.00 H new ATOM 1486 N ASN A 99 1.179 2.285 -14.585 1.00 0.00 N ATOM 1487 CA ASN A 99 0.314 1.115 -14.482 1.00 0.00 C ATOM 1488 C ASN A 99 -0.158 0.912 -13.045 1.00 0.00 C ATOM 1489 O ASN A 99 0.058 -0.146 -12.453 1.00 0.00 O ATOM 1490 CB ASN A 99 1.051 -0.134 -14.970 1.00 0.00 C ATOM 1491 CG ASN A 99 0.898 -0.348 -16.464 1.00 0.00 C ATOM 1492 OD1 ASN A 99 1.050 0.583 -17.254 1.00 0.00 O ATOM 1493 ND2 ASN A 99 0.596 -1.580 -16.857 1.00 0.00 N ATOM 0 H ASN A 99 1.940 2.308 -13.906 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.559 1.283 -15.112 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.109 -0.047 -14.724 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.671 -1.007 -14.440 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.481 -1.785 -17.850 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.479 -2.321 -16.166 1.00 0.00 H new ATOM 1500 N PHE A 100 -0.803 1.932 -12.490 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.305 1.866 -11.122 1.00 0.00 C ATOM 1502 C PHE A 100 -2.178 0.631 -10.922 1.00 0.00 C ATOM 1503 O PHE A 100 -2.145 -0.002 -9.867 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.103 3.128 -10.788 1.00 0.00 C ATOM 1505 CG PHE A 100 -2.783 3.071 -9.450 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -2.051 2.850 -8.295 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.155 3.238 -9.348 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.674 2.795 -7.063 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.784 3.185 -8.118 1.00 0.00 C ATOM 1510 CZ PHE A 100 -4.042 2.965 -6.974 1.00 0.00 C ATOM 0 H PHE A 100 -0.991 2.814 -12.966 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.449 1.797 -10.450 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.434 3.988 -10.810 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.854 3.289 -11.562 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.981 2.719 -8.358 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.739 3.412 -10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.092 2.619 -6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.854 3.315 -8.052 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.530 2.926 -6.012 1.00 0.00 H new ATOM 1520 N SER A 101 -2.959 0.294 -11.944 1.00 0.00 N ATOM 1521 CA SER A 101 -3.845 -0.863 -11.880 1.00 0.00 C ATOM 1522 C SER A 101 -3.181 -2.014 -11.131 1.00 0.00 C ATOM 1523 O SER A 101 -3.828 -2.725 -10.361 1.00 0.00 O ATOM 1524 CB SER A 101 -4.233 -1.313 -13.289 1.00 0.00 C ATOM 1525 OG SER A 101 -5.350 -0.583 -13.768 1.00 0.00 O ATOM 0 H SER A 101 -2.996 0.805 -12.826 1.00 0.00 H new ATOM 0 HA SER A 101 -4.745 -0.571 -11.339 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.388 -1.175 -13.964 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.466 -2.378 -13.283 1.00 0.00 H new ATOM 0 HG SER A 101 -5.577 -0.888 -14.671 1.00 0.00 H new ATOM 1531 N LYS A 102 -1.885 -2.193 -11.362 1.00 0.00 N ATOM 1532 CA LYS A 102 -1.131 -3.257 -10.710 1.00 0.00 C ATOM 1533 C LYS A 102 -1.078 -3.041 -9.201 1.00 0.00 C ATOM 1534 O LYS A 102 -1.585 -3.855 -8.429 1.00 0.00 O ATOM 1535 CB LYS A 102 0.290 -3.323 -11.276 1.00 0.00 C ATOM 1536 CG LYS A 102 0.364 -3.940 -12.662 1.00 0.00 C ATOM 1537 CD LYS A 102 1.738 -4.529 -12.937 1.00 0.00 C ATOM 1538 CE LYS A 102 2.748 -3.447 -13.285 1.00 0.00 C ATOM 1539 NZ LYS A 102 2.783 -3.171 -14.748 1.00 0.00 N ATOM 0 H LYS A 102 -1.334 -1.614 -11.996 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.639 -4.201 -10.907 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.705 -2.316 -11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.916 -3.901 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.392 -4.719 -12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.135 -3.182 -13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.081 -5.080 -12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.671 -5.244 -13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.499 -2.531 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.739 -3.753 -12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.011 -2.169 -14.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.508 -3.766 -15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.854 -3.385 -15.164 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.464 -1.937 -8.787 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.348 -1.612 -7.370 1.00 0.00 C ATOM 1555 C VAL A 103 -1.626 -1.967 -6.619 1.00 0.00 C ATOM 1556 O VAL A 103 -1.580 -2.451 -5.487 1.00 0.00 O ATOM 1557 CB VAL A 103 -0.040 -0.118 -7.160 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.096 0.196 -5.678 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.220 0.277 -7.915 1.00 0.00 C ATOM 0 H VAL A 103 -0.039 -1.253 -9.413 1.00 0.00 H new ATOM 0 HA VAL A 103 0.478 -2.204 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.871 0.466 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.314 1.256 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.836 -0.048 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.908 -0.395 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.423 1.336 -7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.062 -0.312 -7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.080 0.091 -8.980 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.767 -1.724 -7.255 1.00 0.00 N ATOM 1570 CA LEU A 104 -4.060 -2.019 -6.648 1.00 0.00 C ATOM 1571 C LEU A 104 -4.253 -3.523 -6.481 1.00 0.00 C ATOM 1572 O LEU A 104 -4.533 -4.004 -5.383 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.190 -1.439 -7.500 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.594 -1.527 -6.903 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.708 -0.640 -5.673 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.640 -1.142 -7.939 1.00 0.00 C ATOM 0 H LEU A 104 -2.823 -1.323 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.084 -1.557 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.967 -0.391 -7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.193 -1.952 -8.462 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.774 -2.558 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.715 -0.716 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.985 -0.962 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.506 0.395 -5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.633 -1.211 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.462 -0.120 -8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.575 -1.819 -8.791 1.00 0.00 H new ATOM 1588 N SER A 105 -4.101 -4.259 -7.577 1.00 0.00 N ATOM 1589 CA SER A 105 -4.260 -5.708 -7.552 1.00 0.00 C ATOM 1590 C SER A 105 -3.257 -6.349 -6.598 1.00 0.00 C ATOM 1591 O SER A 105 -3.542 -7.371 -5.972 1.00 0.00 O ATOM 1592 CB SER A 105 -4.084 -6.286 -8.958 1.00 0.00 C ATOM 1593 OG SER A 105 -2.900 -5.799 -9.565 1.00 0.00 O ATOM 0 H SER A 105 -3.868 -3.876 -8.493 1.00 0.00 H new ATOM 0 HA SER A 105 -5.266 -5.932 -7.198 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.048 -7.374 -8.905 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.945 -6.025 -9.573 1.00 0.00 H new ATOM 0 HG SER A 105 -2.356 -5.335 -8.895 1.00 0.00 H new ATOM 1599 N THR A 106 -2.079 -5.741 -6.492 1.00 0.00 N ATOM 1600 CA THR A 106 -1.032 -6.252 -5.616 1.00 0.00 C ATOM 1601 C THR A 106 -1.467 -6.206 -4.155 1.00 0.00 C ATOM 1602 O THR A 106 -1.274 -7.167 -3.409 1.00 0.00 O ATOM 1603 CB THR A 106 0.274 -5.451 -5.776 1.00 0.00 C ATOM 1604 OG1 THR A 106 0.833 -5.681 -7.074 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.283 -5.843 -4.707 1.00 0.00 C ATOM 0 H THR A 106 -1.827 -4.894 -7.002 1.00 0.00 H new ATOM 0 HA THR A 106 -0.853 -7.287 -5.907 1.00 0.00 H new ATOM 0 HB THR A 106 0.042 -4.392 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.947 -6.644 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.197 -5.265 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.865 -5.640 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.510 -6.906 -4.793 1.00 0.00 H new ATOM 1613 N LEU A 107 -2.054 -5.085 -3.752 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.518 -4.915 -2.380 1.00 0.00 C ATOM 1615 C LEU A 107 -3.758 -5.761 -2.114 1.00 0.00 C ATOM 1616 O LEU A 107 -4.019 -6.162 -0.979 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.823 -3.441 -2.103 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.625 -2.491 -2.129 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -2.092 -1.044 -2.147 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.716 -2.746 -0.936 1.00 0.00 C ATOM 0 H LEU A 107 -2.220 -4.280 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.724 -5.248 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.550 -3.097 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.299 -3.367 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.056 -2.679 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.226 -0.382 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.701 -0.869 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.684 -0.842 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.131 -2.061 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.274 -2.587 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.353 -3.773 -0.968 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.519 -6.032 -3.169 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.732 -6.834 -3.051 1.00 0.00 C ATOM 1634 C LEU A 108 -5.399 -8.273 -2.669 1.00 0.00 C ATOM 1635 O LEU A 108 -6.061 -8.869 -1.819 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.512 -6.812 -4.367 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.504 -5.661 -4.540 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.997 -5.592 -5.977 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.675 -5.817 -3.580 1.00 0.00 C ATOM 0 H LEU A 108 -4.318 -5.708 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.348 -6.401 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.797 -6.776 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.057 -7.752 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.991 -4.728 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.702 -4.767 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.150 -5.432 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.493 -6.527 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.371 -4.989 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.187 -6.758 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.307 -5.815 -2.554 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.368 -8.824 -3.300 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.944 -10.190 -3.023 1.00 0.00 C ATOM 1653 C ALA A 109 -3.416 -10.324 -1.599 1.00 0.00 C ATOM 1654 O ALA A 109 -3.817 -11.223 -0.859 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.884 -10.627 -4.024 1.00 0.00 C ATOM 0 H ALA A 109 -3.811 -8.345 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.813 -10.840 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.576 -11.650 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.295 -10.580 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.021 -9.965 -3.952 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.515 -9.423 -1.220 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.933 -9.440 0.117 1.00 0.00 C ATOM 1663 C VAL A 110 -3.017 -9.484 1.188 1.00 0.00 C ATOM 1664 O VAL A 110 -2.997 -10.341 2.070 1.00 0.00 O ATOM 1665 CB VAL A 110 -1.040 -8.208 0.356 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.516 -8.196 1.784 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.108 -8.180 -0.642 1.00 0.00 C ATOM 0 H VAL A 110 -2.172 -8.672 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.323 -10.341 0.185 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.642 -7.311 0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.113 -7.318 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.355 -8.164 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.070 -9.097 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.728 -7.303 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.711 -9.081 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.292 -8.136 -1.655 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.963 -8.554 1.103 1.00 0.00 N ATOM 1678 CA ASN A 111 -5.056 -8.487 2.066 1.00 0.00 C ATOM 1679 C ASN A 111 -5.736 -9.844 2.213 1.00 0.00 C ATOM 1680 O ASN A 111 -6.068 -10.269 3.320 1.00 0.00 O ATOM 1681 CB ASN A 111 -6.080 -7.435 1.633 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.478 -7.752 2.127 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.135 -8.663 1.624 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.940 -6.998 3.118 1.00 0.00 N ATOM 0 H ASN A 111 -3.995 -7.837 0.378 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.639 -8.203 3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.776 -6.459 2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.089 -7.366 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.874 -7.164 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.360 -6.253 3.505 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.941 -10.522 1.088 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.579 -11.833 1.090 1.00 0.00 C ATOM 1693 C LYS A 112 -5.760 -12.836 1.895 1.00 0.00 C ATOM 1694 O LYS A 112 -6.269 -13.466 2.821 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.758 -12.337 -0.344 1.00 0.00 C ATOM 1696 CG LYS A 112 -7.990 -11.779 -1.036 1.00 0.00 C ATOM 1697 CD LYS A 112 -8.546 -12.757 -2.058 1.00 0.00 C ATOM 1698 CE LYS A 112 -9.687 -12.142 -2.854 1.00 0.00 C ATOM 1699 NZ LYS A 112 -9.213 -11.052 -3.752 1.00 0.00 N ATOM 0 H LYS A 112 -5.674 -10.185 0.163 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.558 -11.733 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.874 -12.074 -0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.820 -13.425 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.755 -11.553 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.738 -10.840 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.752 -13.066 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.898 -13.655 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.174 -12.916 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.437 -11.747 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.964 -10.809 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.975 -10.214 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.369 -11.371 -4.270 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.488 -12.979 1.536 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.598 -13.903 2.227 1.00 0.00 C ATOM 1715 C ALA A 113 -3.569 -13.620 3.725 1.00 0.00 C ATOM 1716 O ALA A 113 -3.647 -14.538 4.543 1.00 0.00 O ATOM 1717 CB ALA A 113 -2.195 -13.819 1.645 1.00 0.00 C ATOM 0 H ALA A 113 -4.051 -12.466 0.770 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.980 -14.914 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.541 -14.515 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.224 -14.078 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.813 -12.804 1.760 1.00 0.00 H new ATOM 1723 N THR A 114 -3.456 -12.344 4.080 1.00 0.00 N ATOM 1724 CA THR A 114 -3.415 -11.941 5.480 1.00 0.00 C ATOM 1725 C THR A 114 -4.725 -12.272 6.186 1.00 0.00 C ATOM 1726 O THR A 114 -4.724 -12.826 7.285 1.00 0.00 O ATOM 1727 CB THR A 114 -3.136 -10.432 5.622 1.00 0.00 C ATOM 1728 OG1 THR A 114 -4.177 -9.680 4.988 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.794 -10.070 5.005 1.00 0.00 C ATOM 0 H THR A 114 -3.391 -11.572 3.417 1.00 0.00 H new ATOM 0 HA THR A 114 -2.603 -12.499 5.946 1.00 0.00 H new ATOM 0 HB THR A 114 -3.107 -10.188 6.684 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.760 -10.287 4.486 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.619 -9.000 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.001 -10.622 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.799 -10.328 3.946 1.00 0.00 H new