USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot 0:sc= 0.544 USER MOD Set 1.2: A 130 MET CE :methyl -107:sc= -5.97! (180deg=-11.5!) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 SER OG : rot -60:sc= 0.558 USER MOD Set 3.1: A 53 SER OG : rot 33:sc= 0.915 USER MOD Set 3.2: A 62 LYS NZ :NH3+ 173:sc= -0.0861 (180deg=-0.522) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 152:sc= 0.774 (180deg=0.0409) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00604 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 1.17 (180deg=1.03) USER MOD Single : A 20 SER OG : rot 78:sc= 0.831 USER MOD Single : A 21 HIS : no HE2:sc= -1.06 K(o=0.2,f=-7.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0054 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0.66 (180deg=0.5) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 145:sc= 1.27 USER MOD Single : A 40 ASN : amide:sc= -3.07! C(o=-3.1!,f=-12!) USER MOD Single : A 47 CYS SG : rot 54:sc= -0.0506 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 1.16 (180deg=-0.0194) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0666 (180deg=-0.435) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 58 GLN : amide:sc= -3.62! C(o=-3.6!,f=-6!) USER MOD Single : A 60 HIS : no HD1:sc= -2.48! K(o=-2.5!,f=0.45) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0157 (180deg=-0.248) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.417 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -122:sc= -1.88! (180deg=-2.33!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 67:sc= -0.324! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -20:sc= 1.26 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 92 SER OG : rot -66:sc= 1.3 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.1) USER MOD Single : A 99 HIS : no HE2:sc= -1.2! C(o=-1.2!,f=-6.2!) USER MOD Single : A 105 GLN : amide:sc= -0.803 K(o=-0.8,f=-0.077) USER MOD Single : A 106 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 109 TYR OH : rot 150:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.118 K(o=-0.12,f=-3.9!) USER MOD Single : A 112 MET CE :methyl -131:sc= -1.96 (180deg=-5.41!) USER MOD Single : A 114 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 116 SER OG : rot -80:sc= 1.27 USER MOD Single : A 117 TYR OH : rot 8:sc= 1.21 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00971 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -83:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 141.288 4.735 3.674 1.00 0.00 N ATOM 32 CA VAL A 3 141.300 4.703 2.239 1.00 0.00 C ATOM 33 C VAL A 3 142.113 5.869 1.705 1.00 0.00 C ATOM 34 O VAL A 3 141.958 7.008 2.164 1.00 0.00 O ATOM 35 CB VAL A 3 139.848 4.676 1.630 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.960 5.689 2.305 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.845 4.942 0.119 1.00 0.00 C ATOM 0 HA VAL A 3 141.775 3.774 1.925 1.00 0.00 H new ATOM 0 HB VAL A 3 139.463 3.671 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.963 5.649 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.896 5.465 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 3 139.377 6.687 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.821 4.913 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.275 5.924 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.437 4.178 -0.386 1.00 0.00 H new ATOM 47 N SER A 4 143.016 5.571 0.798 1.00 0.00 N ATOM 48 CA SER A 4 143.792 6.575 0.143 1.00 0.00 C ATOM 49 C SER A 4 142.833 7.399 -0.722 1.00 0.00 C ATOM 50 O SER A 4 142.026 6.821 -1.460 1.00 0.00 O ATOM 51 CB SER A 4 144.865 5.895 -0.718 1.00 0.00 C ATOM 52 OG SER A 4 145.645 4.987 0.071 1.00 0.00 O ATOM 0 H SER A 4 143.226 4.619 0.500 1.00 0.00 H new ATOM 0 HA SER A 4 144.296 7.226 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.392 5.357 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.514 6.649 -1.162 1.00 0.00 H new ATOM 0 HG SER A 4 146.323 4.561 -0.495 1.00 0.00 H new ATOM 58 N PRO A 5 142.878 8.739 -0.619 1.00 0.00 N ATOM 59 CA PRO A 5 141.955 9.646 -1.332 1.00 0.00 C ATOM 60 C PRO A 5 141.868 9.380 -2.837 1.00 0.00 C ATOM 61 O PRO A 5 140.841 9.647 -3.461 1.00 0.00 O ATOM 62 CB PRO A 5 142.518 11.036 -1.062 1.00 0.00 C ATOM 63 CG PRO A 5 143.860 10.823 -0.441 1.00 0.00 C ATOM 64 CD PRO A 5 143.810 9.491 0.226 1.00 0.00 C ATOM 0 HA PRO A 5 140.933 9.510 -0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.602 11.609 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.865 11.599 -0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.646 10.850 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 5 144.084 11.610 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.792 9.020 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.454 9.566 1.253 1.00 0.00 H new ATOM 72 N GLU A 6 142.940 8.836 -3.397 1.00 0.00 N ATOM 73 CA GLU A 6 142.981 8.455 -4.803 1.00 0.00 C ATOM 74 C GLU A 6 141.907 7.389 -5.075 1.00 0.00 C ATOM 75 O GLU A 6 141.090 7.530 -5.965 1.00 0.00 O ATOM 76 CB GLU A 6 144.355 7.893 -5.145 1.00 0.00 C ATOM 77 CG GLU A 6 145.506 8.801 -4.759 1.00 0.00 C ATOM 78 CD GLU A 6 146.840 8.211 -5.113 1.00 0.00 C ATOM 79 OE1 GLU A 6 147.185 7.125 -4.591 1.00 0.00 O ATOM 80 OE2 GLU A 6 147.564 8.805 -5.937 1.00 0.00 O ATOM 0 H GLU A 6 143.805 8.646 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 6 142.789 9.333 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.479 6.933 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.401 7.701 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 6 145.392 9.762 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 6 145.470 8.994 -3.687 1.00 0.00 H new ATOM 87 N GLU A 7 141.885 6.364 -4.244 1.00 0.00 N ATOM 88 CA GLU A 7 140.918 5.283 -4.369 1.00 0.00 C ATOM 89 C GLU A 7 139.529 5.798 -4.010 1.00 0.00 C ATOM 90 O GLU A 7 138.527 5.319 -4.517 1.00 0.00 O ATOM 91 CB GLU A 7 141.283 4.127 -3.437 1.00 0.00 C ATOM 92 CG GLU A 7 140.352 2.928 -3.537 1.00 0.00 C ATOM 93 CD GLU A 7 140.563 2.062 -4.768 1.00 0.00 C ATOM 94 OE1 GLU A 7 140.656 2.573 -5.906 1.00 0.00 O ATOM 95 OE2 GLU A 7 140.612 0.822 -4.605 1.00 0.00 O ATOM 0 H GLU A 7 142.534 6.255 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 7 140.927 4.924 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.300 3.803 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.281 4.489 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 7 140.481 2.310 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 7 139.322 3.284 -3.532 1.00 0.00 H new ATOM 102 N ALA A 8 139.482 6.779 -3.137 1.00 0.00 N ATOM 103 CA ALA A 8 138.224 7.353 -2.748 1.00 0.00 C ATOM 104 C ALA A 8 137.581 8.095 -3.923 1.00 0.00 C ATOM 105 O ALA A 8 136.398 7.980 -4.123 1.00 0.00 O ATOM 106 CB ALA A 8 138.356 8.221 -1.495 1.00 0.00 C ATOM 0 H ALA A 8 140.299 7.191 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 8 137.549 6.541 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.382 8.636 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.724 7.613 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 8 139.057 9.034 -1.687 1.00 0.00 H new ATOM 112 N VAL A 9 138.372 8.849 -4.719 1.00 0.00 N ATOM 113 CA VAL A 9 137.811 9.512 -5.921 1.00 0.00 C ATOM 114 C VAL A 9 137.375 8.470 -6.948 1.00 0.00 C ATOM 115 O VAL A 9 136.475 8.708 -7.763 1.00 0.00 O ATOM 116 CB VAL A 9 138.764 10.563 -6.604 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.269 11.589 -5.626 1.00 0.00 C ATOM 118 CG2 VAL A 9 139.916 9.931 -7.346 1.00 0.00 C ATOM 0 H VAL A 9 139.367 9.011 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 9 136.954 10.079 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 9 138.146 11.069 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.922 12.293 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.425 12.127 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.826 11.092 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.533 10.711 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.518 9.345 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 9 139.530 9.280 -8.130 1.00 0.00 H new ATOM 128 N LYS A 10 138.018 7.318 -6.896 1.00 0.00 N ATOM 129 CA LYS A 10 137.683 6.181 -7.745 1.00 0.00 C ATOM 130 C LYS A 10 136.267 5.682 -7.436 1.00 0.00 C ATOM 131 O LYS A 10 135.578 5.160 -8.302 1.00 0.00 O ATOM 132 CB LYS A 10 138.709 5.062 -7.544 1.00 0.00 C ATOM 133 CG LYS A 10 140.126 5.454 -7.946 1.00 0.00 C ATOM 134 CD LYS A 10 140.283 5.483 -9.440 1.00 0.00 C ATOM 135 CE LYS A 10 140.318 4.071 -9.963 1.00 0.00 C ATOM 136 NZ LYS A 10 140.198 4.005 -11.420 1.00 0.00 N ATOM 0 H LYS A 10 138.795 7.140 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 10 137.710 6.496 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.707 4.763 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.403 4.192 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.365 6.435 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 10 140.836 4.747 -7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 10 139.457 6.031 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 10 141.200 6.006 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 10 141.251 3.598 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 10 139.508 3.500 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 140.679 3.152 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 139.193 3.969 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 140.637 4.848 -11.843 1.00 0.00 H new ATOM 150 N TRP A 11 135.816 5.895 -6.210 1.00 0.00 N ATOM 151 CA TRP A 11 134.464 5.502 -5.797 1.00 0.00 C ATOM 152 C TRP A 11 133.426 6.311 -6.557 1.00 0.00 C ATOM 153 O TRP A 11 132.296 5.862 -6.775 1.00 0.00 O ATOM 154 CB TRP A 11 134.275 5.686 -4.292 1.00 0.00 C ATOM 155 CG TRP A 11 135.155 4.807 -3.457 1.00 0.00 C ATOM 156 CD1 TRP A 11 135.884 3.732 -3.877 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.370 4.910 -2.051 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.556 3.182 -2.823 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.252 3.880 -1.690 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.904 5.780 -1.060 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.676 3.696 -0.390 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.324 5.588 0.236 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.200 4.558 0.557 1.00 0.00 C ATOM 0 H TRP A 11 136.365 6.340 -5.474 1.00 0.00 H new ATOM 0 HA TRP A 11 134.332 4.445 -6.030 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.471 6.727 -4.036 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.234 5.486 -4.039 1.00 0.00 H new ATOM 0 HD1 TRP A 11 135.924 3.370 -4.894 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.184 2.380 -2.874 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.229 6.586 -1.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.359 2.900 -0.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.968 6.247 1.014 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.513 4.436 1.583 1.00 0.00 H new ATOM 174 N GLY A 12 133.842 7.481 -7.007 1.00 0.00 N ATOM 175 CA GLY A 12 132.993 8.346 -7.780 1.00 0.00 C ATOM 176 C GLY A 12 132.838 7.875 -9.211 1.00 0.00 C ATOM 177 O GLY A 12 132.101 8.478 -9.993 1.00 0.00 O ATOM 0 H GLY A 12 134.778 7.851 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.011 8.401 -7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.406 9.355 -7.775 1.00 0.00 H new ATOM 181 N GLU A 13 133.552 6.819 -9.572 1.00 0.00 N ATOM 182 CA GLU A 13 133.408 6.229 -10.881 1.00 0.00 C ATOM 183 C GLU A 13 132.264 5.249 -10.848 1.00 0.00 C ATOM 184 O GLU A 13 131.358 5.300 -11.677 1.00 0.00 O ATOM 185 CB GLU A 13 134.652 5.455 -11.294 1.00 0.00 C ATOM 186 CG GLU A 13 135.943 6.228 -11.293 1.00 0.00 C ATOM 187 CD GLU A 13 137.076 5.354 -11.742 1.00 0.00 C ATOM 188 OE1 GLU A 13 137.497 4.468 -10.987 1.00 0.00 O ATOM 189 OE2 GLU A 13 137.540 5.504 -12.881 1.00 0.00 O ATOM 0 H GLU A 13 134.236 6.358 -8.972 1.00 0.00 H new ATOM 0 HA GLU A 13 133.238 7.038 -11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.763 4.601 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.491 5.057 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.858 7.091 -11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.145 6.610 -10.292 1.00 0.00 H new ATOM 196 N SER A 14 132.288 4.375 -9.862 1.00 0.00 N ATOM 197 CA SER A 14 131.330 3.310 -9.779 1.00 0.00 C ATOM 198 C SER A 14 130.994 2.973 -8.322 1.00 0.00 C ATOM 199 O SER A 14 131.897 2.689 -7.498 1.00 0.00 O ATOM 200 CB SER A 14 131.903 2.069 -10.477 1.00 0.00 C ATOM 201 OG SER A 14 132.227 2.336 -11.845 1.00 0.00 O ATOM 0 H SER A 14 132.970 4.389 -9.104 1.00 0.00 H new ATOM 0 HA SER A 14 130.411 3.630 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 14 132.796 1.734 -9.950 1.00 0.00 H new ATOM 0 HB3 SER A 14 131.179 1.256 -10.426 1.00 0.00 H new ATOM 0 HG SER A 14 132.591 1.526 -12.259 1.00 0.00 H new ATOM 207 N PHE A 15 129.708 2.992 -8.014 1.00 0.00 N ATOM 208 CA PHE A 15 129.189 2.610 -6.705 1.00 0.00 C ATOM 209 C PHE A 15 129.626 1.187 -6.338 1.00 0.00 C ATOM 210 O PHE A 15 129.824 0.875 -5.171 1.00 0.00 O ATOM 211 CB PHE A 15 127.645 2.734 -6.699 1.00 0.00 C ATOM 212 CG PHE A 15 126.957 2.255 -5.442 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.264 2.793 -4.212 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.008 1.256 -5.503 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.639 2.344 -3.070 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.379 0.807 -4.360 1.00 0.00 C ATOM 217 CZ PHE A 15 125.696 1.352 -3.148 1.00 0.00 C ATOM 0 H PHE A 15 128.983 3.276 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 15 129.599 3.284 -5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.382 3.779 -6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.250 2.172 -7.545 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.004 3.577 -4.142 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.754 0.820 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.892 2.774 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.637 0.025 -4.423 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.204 1.002 -2.252 1.00 0.00 H new ATOM 227 N ASP A 16 129.815 0.346 -7.347 1.00 0.00 N ATOM 228 CA ASP A 16 130.227 -1.037 -7.123 1.00 0.00 C ATOM 229 C ASP A 16 131.606 -1.108 -6.452 1.00 0.00 C ATOM 230 O ASP A 16 131.799 -1.889 -5.538 1.00 0.00 O ATOM 231 CB ASP A 16 130.231 -1.878 -8.431 1.00 0.00 C ATOM 232 CG ASP A 16 131.574 -1.924 -9.157 1.00 0.00 C ATOM 233 OD1 ASP A 16 131.879 -1.026 -9.943 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.336 -2.891 -8.949 1.00 0.00 O ATOM 0 H ASP A 16 129.690 0.595 -8.328 1.00 0.00 H new ATOM 0 HA ASP A 16 129.484 -1.469 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 16 129.928 -2.897 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 16 129.480 -1.473 -9.110 1.00 0.00 H new ATOM 239 N LYS A 17 132.549 -0.258 -6.863 1.00 0.00 N ATOM 240 CA LYS A 17 133.890 -0.332 -6.293 1.00 0.00 C ATOM 241 C LYS A 17 133.933 0.333 -4.936 1.00 0.00 C ATOM 242 O LYS A 17 134.787 0.009 -4.103 1.00 0.00 O ATOM 243 CB LYS A 17 134.976 0.218 -7.221 1.00 0.00 C ATOM 244 CG LYS A 17 134.856 1.687 -7.560 1.00 0.00 C ATOM 245 CD LYS A 17 136.088 2.180 -8.289 1.00 0.00 C ATOM 246 CE LYS A 17 136.311 1.469 -9.602 1.00 0.00 C ATOM 247 NZ LYS A 17 137.546 1.922 -10.256 1.00 0.00 N ATOM 0 H LYS A 17 132.414 0.468 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 17 134.116 -1.391 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.947 0.048 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.961 -0.354 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 17 133.974 1.850 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 17 134.715 2.264 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 17 135.993 3.250 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 17 136.962 2.041 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 17 136.362 0.394 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 17 135.462 1.647 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.529 1.646 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.618 2.957 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.366 1.484 -9.790 1.00 0.00 H new ATOM 261 N LEU A 18 133.018 1.267 -4.738 1.00 0.00 N ATOM 262 CA LEU A 18 132.796 1.888 -3.440 1.00 0.00 C ATOM 263 C LEU A 18 132.341 0.819 -2.461 1.00 0.00 C ATOM 264 O LEU A 18 132.906 0.642 -1.382 1.00 0.00 O ATOM 265 CB LEU A 18 131.686 2.961 -3.588 1.00 0.00 C ATOM 266 CG LEU A 18 130.994 3.470 -2.303 1.00 0.00 C ATOM 267 CD1 LEU A 18 131.959 4.179 -1.388 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.850 4.388 -2.659 1.00 0.00 C ATOM 0 H LEU A 18 132.406 1.618 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 18 133.712 2.353 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.119 3.822 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 18 130.916 2.556 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 18 130.611 2.600 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.432 4.521 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.755 3.494 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.389 5.036 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.369 4.741 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.229 5.240 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.124 3.846 -3.265 1.00 0.00 H new ATOM 280 N LEU A 19 131.373 0.080 -2.905 1.00 0.00 N ATOM 281 CA LEU A 19 130.689 -0.899 -2.120 1.00 0.00 C ATOM 282 C LEU A 19 131.557 -2.139 -1.851 1.00 0.00 C ATOM 283 O LEU A 19 131.489 -2.733 -0.771 1.00 0.00 O ATOM 284 CB LEU A 19 129.434 -1.268 -2.866 1.00 0.00 C ATOM 285 CG LEU A 19 128.294 -1.762 -2.042 1.00 0.00 C ATOM 286 CD1 LEU A 19 127.895 -0.682 -1.023 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.139 -2.094 -2.968 1.00 0.00 C ATOM 0 H LEU A 19 131.024 0.145 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 19 130.452 -0.486 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.099 -0.394 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.685 -2.036 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 19 128.576 -2.659 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.061 -1.041 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.744 -0.462 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.597 0.224 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.295 -2.457 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 19 126.842 -1.199 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.449 -2.864 -3.674 1.00 0.00 H new ATOM 299 N SER A 20 132.384 -2.512 -2.816 1.00 0.00 N ATOM 300 CA SER A 20 133.273 -3.658 -2.660 1.00 0.00 C ATOM 301 C SER A 20 134.508 -3.300 -1.834 1.00 0.00 C ATOM 302 O SER A 20 135.382 -4.131 -1.593 1.00 0.00 O ATOM 303 CB SER A 20 133.688 -4.190 -4.020 1.00 0.00 C ATOM 304 OG SER A 20 132.549 -4.530 -4.795 1.00 0.00 O ATOM 0 H SER A 20 132.460 -2.039 -3.716 1.00 0.00 H new ATOM 0 HA SER A 20 132.726 -4.434 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.280 -3.440 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.323 -5.067 -3.895 1.00 0.00 H new ATOM 0 HG SER A 20 132.148 -3.715 -5.162 1.00 0.00 H new ATOM 310 N HIS A 21 134.573 -2.080 -1.406 1.00 0.00 N ATOM 311 CA HIS A 21 135.659 -1.633 -0.607 1.00 0.00 C ATOM 312 C HIS A 21 135.126 -1.553 0.784 1.00 0.00 C ATOM 313 O HIS A 21 134.088 -0.948 0.983 1.00 0.00 O ATOM 314 CB HIS A 21 136.104 -0.245 -1.064 1.00 0.00 C ATOM 315 CG HIS A 21 137.566 -0.119 -1.367 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.472 0.457 -0.508 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.260 -0.424 -2.482 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.643 0.522 -1.081 1.00 0.00 C ATOM 319 NE2 HIS A 21 139.547 -0.014 -2.282 1.00 0.00 N ATOM 0 H HIS A 21 133.871 -1.367 -1.603 1.00 0.00 H new ATOM 0 HA HIS A 21 136.517 -2.302 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 21 135.538 0.027 -1.955 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.845 0.477 -0.290 1.00 0.00 H new ATOM 0 HD1 HIS A 21 138.261 0.784 0.435 1.00 0.00 H new ATOM 0 HD2 HIS A 21 137.871 -0.903 -3.368 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.537 0.943 -0.646 1.00 0.00 H new ATOM 328 N ARG A 22 135.796 -2.138 1.748 1.00 0.00 N ATOM 329 CA ARG A 22 135.273 -2.114 3.120 1.00 0.00 C ATOM 330 C ARG A 22 135.240 -0.690 3.647 1.00 0.00 C ATOM 331 O ARG A 22 134.357 -0.315 4.388 1.00 0.00 O ATOM 332 CB ARG A 22 136.036 -3.032 4.101 1.00 0.00 C ATOM 333 CG ARG A 22 135.930 -4.545 3.846 1.00 0.00 C ATOM 334 CD ARG A 22 136.758 -5.010 2.656 1.00 0.00 C ATOM 335 NE ARG A 22 138.191 -4.739 2.846 1.00 0.00 N ATOM 336 CZ ARG A 22 139.189 -5.236 2.093 1.00 0.00 C ATOM 337 NH1 ARG A 22 138.939 -6.121 1.128 1.00 0.00 N ATOM 338 NH2 ARG A 22 140.440 -4.852 2.323 1.00 0.00 N ATOM 0 H ARG A 22 136.683 -2.628 1.628 1.00 0.00 H new ATOM 0 HA ARG A 22 134.261 -2.514 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 22 137.090 -2.755 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 22 135.675 -2.830 5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 22 136.254 -5.081 4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 22 134.885 -4.807 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 22 136.608 -6.079 2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 22 136.410 -4.508 1.753 1.00 0.00 H new ATOM 0 HE ARG A 22 138.451 -4.121 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 22 137.982 -6.429 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 22 139.704 -6.490 0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 22 140.640 -4.184 3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 22 141.201 -5.225 1.755 1.00 0.00 H new ATOM 352 N ASP A 23 136.184 0.111 3.191 1.00 0.00 N ATOM 353 CA ASP A 23 136.270 1.529 3.570 1.00 0.00 C ATOM 354 C ASP A 23 135.100 2.277 2.974 1.00 0.00 C ATOM 355 O ASP A 23 134.595 3.237 3.552 1.00 0.00 O ATOM 356 CB ASP A 23 137.526 2.178 2.999 1.00 0.00 C ATOM 357 CG ASP A 23 138.721 1.308 3.053 1.00 0.00 C ATOM 358 OD1 ASP A 23 139.422 1.283 4.049 1.00 0.00 O ATOM 359 OD2 ASP A 23 138.964 0.598 2.066 1.00 0.00 O ATOM 0 H ASP A 23 136.916 -0.191 2.548 1.00 0.00 H new ATOM 0 HA ASP A 23 136.280 1.575 4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.340 2.461 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.731 3.097 3.548 1.00 0.00 H new ATOM 364 N GLY A 24 134.675 1.832 1.809 1.00 0.00 N ATOM 365 CA GLY A 24 133.622 2.499 1.100 1.00 0.00 C ATOM 366 C GLY A 24 132.303 2.071 1.579 1.00 0.00 C ATOM 367 O GLY A 24 131.417 2.885 1.735 1.00 0.00 O ATOM 0 H GLY A 24 135.049 1.008 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.724 3.577 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.709 2.290 0.034 1.00 0.00 H new ATOM 371 N LEU A 25 132.178 0.787 1.825 1.00 0.00 N ATOM 372 CA LEU A 25 131.018 0.222 2.454 1.00 0.00 C ATOM 373 C LEU A 25 130.768 0.939 3.764 1.00 0.00 C ATOM 374 O LEU A 25 129.648 1.236 4.107 1.00 0.00 O ATOM 375 CB LEU A 25 131.214 -1.314 2.619 1.00 0.00 C ATOM 376 CG LEU A 25 130.627 -2.007 3.866 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.360 -3.469 3.551 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.637 -1.942 5.023 1.00 0.00 C ATOM 0 H LEU A 25 132.893 0.100 1.588 1.00 0.00 H new ATOM 0 HA LEU A 25 130.129 0.360 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.787 -1.798 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.285 -1.514 2.604 1.00 0.00 H new ATOM 0 HG LEU A 25 129.703 -1.502 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.945 -3.961 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.650 -3.540 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 25 131.293 -3.957 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 25 131.217 -2.433 5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.558 -2.447 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.853 -0.900 5.259 1.00 0.00 H new ATOM 390 N GLU A 26 131.850 1.263 4.433 1.00 0.00 N ATOM 391 CA GLU A 26 131.834 1.993 5.661 1.00 0.00 C ATOM 392 C GLU A 26 131.439 3.467 5.436 1.00 0.00 C ATOM 393 O GLU A 26 130.592 3.994 6.164 1.00 0.00 O ATOM 394 CB GLU A 26 133.195 1.873 6.298 1.00 0.00 C ATOM 395 CG GLU A 26 133.374 2.654 7.583 1.00 0.00 C ATOM 396 CD GLU A 26 134.783 2.593 8.087 1.00 0.00 C ATOM 397 OE1 GLU A 26 135.620 3.456 7.694 1.00 0.00 O ATOM 398 OE2 GLU A 26 135.096 1.688 8.881 1.00 0.00 O ATOM 0 H GLU A 26 132.789 1.015 4.121 1.00 0.00 H new ATOM 0 HA GLU A 26 131.080 1.575 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 26 133.393 0.820 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.945 2.206 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 26 133.094 3.694 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.700 2.260 8.343 1.00 0.00 H new ATOM 405 N ALA A 27 132.009 4.125 4.406 1.00 0.00 N ATOM 406 CA ALA A 27 131.668 5.536 4.162 1.00 0.00 C ATOM 407 C ALA A 27 130.214 5.637 3.742 1.00 0.00 C ATOM 408 O ALA A 27 129.469 6.519 4.191 1.00 0.00 O ATOM 409 CB ALA A 27 132.573 6.189 3.094 1.00 0.00 C ATOM 0 H ALA A 27 132.681 3.720 3.754 1.00 0.00 H new ATOM 0 HA ALA A 27 131.832 6.080 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.278 7.229 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.611 6.148 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.469 5.652 2.151 1.00 0.00 H new ATOM 415 N PHE A 28 129.803 4.696 2.933 1.00 0.00 N ATOM 416 CA PHE A 28 128.478 4.674 2.404 1.00 0.00 C ATOM 417 C PHE A 28 127.479 4.275 3.468 1.00 0.00 C ATOM 418 O PHE A 28 126.420 4.872 3.558 1.00 0.00 O ATOM 419 CB PHE A 28 128.381 3.747 1.189 1.00 0.00 C ATOM 420 CG PHE A 28 127.057 3.822 0.496 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.746 4.919 -0.287 1.00 0.00 C ATOM 422 CD2 PHE A 28 126.121 2.807 0.628 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.535 5.008 -0.925 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.907 2.894 -0.010 1.00 0.00 C ATOM 425 CZ PHE A 28 124.614 3.996 -0.786 1.00 0.00 C ATOM 0 H PHE A 28 130.389 3.920 2.624 1.00 0.00 H new ATOM 0 HA PHE A 28 128.236 5.684 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.170 4.002 0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.559 2.720 1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.466 5.716 -0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.348 1.943 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.306 5.870 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.183 2.100 0.096 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.659 4.064 -1.286 1.00 0.00 H new ATOM 435 N THR A 29 127.826 3.292 4.300 1.00 0.00 N ATOM 436 CA THR A 29 126.916 2.836 5.328 1.00 0.00 C ATOM 437 C THR A 29 126.669 3.942 6.356 1.00 0.00 C ATOM 438 O THR A 29 125.604 4.014 6.916 1.00 0.00 O ATOM 439 CB THR A 29 127.355 1.487 6.020 1.00 0.00 C ATOM 440 OG1 THR A 29 126.246 0.908 6.710 1.00 0.00 O ATOM 441 CG2 THR A 29 128.482 1.694 7.031 1.00 0.00 C ATOM 0 H THR A 29 128.723 2.807 4.276 1.00 0.00 H new ATOM 0 HA THR A 29 125.977 2.605 4.825 1.00 0.00 H new ATOM 0 HB THR A 29 127.711 0.830 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.526 0.071 7.135 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.748 0.737 7.480 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.352 2.112 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.150 2.380 7.810 1.00 0.00 H new ATOM 449 N ARG A 30 127.647 4.839 6.558 1.00 0.00 N ATOM 450 CA ARG A 30 127.437 5.959 7.462 1.00 0.00 C ATOM 451 C ARG A 30 126.500 6.982 6.850 1.00 0.00 C ATOM 452 O ARG A 30 125.652 7.547 7.538 1.00 0.00 O ATOM 453 CB ARG A 30 128.736 6.600 7.933 1.00 0.00 C ATOM 454 CG ARG A 30 129.556 5.678 8.804 1.00 0.00 C ATOM 455 CD ARG A 30 130.553 6.448 9.637 1.00 0.00 C ATOM 456 NE ARG A 30 131.650 7.025 8.872 1.00 0.00 N ATOM 457 CZ ARG A 30 132.310 8.130 9.233 1.00 0.00 C ATOM 458 NH1 ARG A 30 131.832 8.912 10.191 1.00 0.00 N ATOM 459 NH2 ARG A 30 133.418 8.464 8.594 1.00 0.00 N ATOM 0 H ARG A 30 128.566 4.806 6.116 1.00 0.00 H new ATOM 0 HA ARG A 30 126.964 5.553 8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.327 6.895 7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.508 7.510 8.488 1.00 0.00 H new ATOM 0 HG2 ARG A 30 128.895 5.110 9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 30 130.082 4.957 8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 30 130.030 7.248 10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.965 5.784 10.397 1.00 0.00 H new ATOM 0 HE ARG A 30 131.931 6.558 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 30 130.957 8.672 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 30 132.340 9.754 10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 30 133.763 7.880 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 30 133.928 9.305 8.863 1.00 0.00 H new ATOM 473 N PHE A 31 126.610 7.187 5.553 1.00 0.00 N ATOM 474 CA PHE A 31 125.674 8.061 4.867 1.00 0.00 C ATOM 475 C PHE A 31 124.284 7.414 4.869 1.00 0.00 C ATOM 476 O PHE A 31 123.265 8.056 5.097 1.00 0.00 O ATOM 477 CB PHE A 31 126.127 8.345 3.430 1.00 0.00 C ATOM 478 CG PHE A 31 125.154 9.203 2.684 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.138 10.565 2.875 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.237 8.640 1.812 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.230 11.356 2.218 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.329 9.429 1.150 1.00 0.00 C ATOM 483 CZ PHE A 31 123.326 10.788 1.357 1.00 0.00 C ATOM 0 H PHE A 31 127.326 6.769 4.958 1.00 0.00 H new ATOM 0 HA PHE A 31 125.636 9.014 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 31 127.100 8.836 3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.256 7.402 2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.849 11.017 3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.236 7.572 1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.227 12.424 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.619 8.983 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.610 11.410 0.840 1.00 0.00 H new ATOM 493 N LEU A 32 124.269 6.141 4.658 1.00 0.00 N ATOM 494 CA LEU A 32 123.056 5.374 4.637 1.00 0.00 C ATOM 495 C LEU A 32 122.451 5.332 6.057 1.00 0.00 C ATOM 496 O LEU A 32 121.251 5.194 6.240 1.00 0.00 O ATOM 497 CB LEU A 32 123.401 3.987 4.143 1.00 0.00 C ATOM 498 CG LEU A 32 122.268 3.106 3.695 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.520 3.744 2.534 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.825 1.777 3.287 1.00 0.00 C ATOM 0 H LEU A 32 125.110 5.589 4.492 1.00 0.00 H new ATOM 0 HA LEU A 32 122.314 5.821 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.096 4.090 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.934 3.469 4.940 1.00 0.00 H new ATOM 0 HG LEU A 32 121.563 2.975 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.704 3.091 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.116 4.707 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.204 3.892 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 32 122.013 1.127 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.532 1.915 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 32 123.335 1.321 4.135 1.00 0.00 H new ATOM 512 N LYS A 33 123.309 5.486 7.039 1.00 0.00 N ATOM 513 CA LYS A 33 122.949 5.533 8.440 1.00 0.00 C ATOM 514 C LYS A 33 122.380 6.896 8.810 1.00 0.00 C ATOM 515 O LYS A 33 121.458 6.980 9.612 1.00 0.00 O ATOM 516 CB LYS A 33 124.180 5.207 9.290 1.00 0.00 C ATOM 517 CG LYS A 33 124.007 5.319 10.788 1.00 0.00 C ATOM 518 CD LYS A 33 125.264 4.853 11.499 1.00 0.00 C ATOM 519 CE LYS A 33 125.494 3.357 11.310 1.00 0.00 C ATOM 520 NZ LYS A 33 124.407 2.549 11.910 1.00 0.00 N ATOM 0 H LYS A 33 124.312 5.586 6.880 1.00 0.00 H new ATOM 0 HA LYS A 33 122.174 4.791 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.497 4.191 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 33 124.990 5.871 8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.789 6.352 11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 33 123.156 4.719 11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 33 126.124 5.405 11.119 1.00 0.00 H new ATOM 0 HD3 LYS A 33 125.186 5.078 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 33 125.567 3.133 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 33 126.446 3.077 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 124.557 1.544 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 124.408 2.678 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 123.492 2.856 11.523 1.00 0.00 H new ATOM 534 N THR A 34 122.907 7.961 8.221 1.00 0.00 N ATOM 535 CA THR A 34 122.392 9.287 8.503 1.00 0.00 C ATOM 536 C THR A 34 120.993 9.459 7.870 1.00 0.00 C ATOM 537 O THR A 34 120.162 10.214 8.372 1.00 0.00 O ATOM 538 CB THR A 34 123.392 10.450 8.108 1.00 0.00 C ATOM 539 OG1 THR A 34 122.936 11.711 8.625 1.00 0.00 O ATOM 540 CG2 THR A 34 123.568 10.582 6.611 1.00 0.00 C ATOM 0 H THR A 34 123.679 7.931 7.555 1.00 0.00 H new ATOM 0 HA THR A 34 122.289 9.374 9.585 1.00 0.00 H new ATOM 0 HB THR A 34 124.353 10.184 8.547 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.568 12.416 8.372 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.263 11.394 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.963 9.650 6.207 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.605 10.798 6.149 1.00 0.00 H new ATOM 548 N GLU A 35 120.723 8.718 6.789 1.00 0.00 N ATOM 549 CA GLU A 35 119.383 8.714 6.215 1.00 0.00 C ATOM 550 C GLU A 35 118.551 7.569 6.822 1.00 0.00 C ATOM 551 O GLU A 35 117.365 7.430 6.536 1.00 0.00 O ATOM 552 CB GLU A 35 119.396 8.617 4.686 1.00 0.00 C ATOM 553 CG GLU A 35 120.005 7.351 4.128 1.00 0.00 C ATOM 554 CD GLU A 35 119.662 7.160 2.678 1.00 0.00 C ATOM 555 OE1 GLU A 35 118.556 6.646 2.394 1.00 0.00 O ATOM 556 OE2 GLU A 35 120.450 7.522 1.808 1.00 0.00 O ATOM 0 H GLU A 35 121.401 8.128 6.307 1.00 0.00 H new ATOM 0 HA GLU A 35 118.922 9.670 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 35 118.371 8.699 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.944 9.471 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 35 121.088 7.387 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.651 6.494 4.701 1.00 0.00 H new ATOM 563 N PHE A 36 119.213 6.750 7.649 1.00 0.00 N ATOM 564 CA PHE A 36 118.603 5.629 8.395 1.00 0.00 C ATOM 565 C PHE A 36 118.125 4.460 7.516 1.00 0.00 C ATOM 566 O PHE A 36 117.390 3.584 7.987 1.00 0.00 O ATOM 567 CB PHE A 36 117.486 6.115 9.335 1.00 0.00 C ATOM 568 CG PHE A 36 117.980 6.919 10.502 1.00 0.00 C ATOM 569 CD1 PHE A 36 118.197 8.279 10.390 1.00 0.00 C ATOM 570 CD2 PHE A 36 118.228 6.308 11.712 1.00 0.00 C ATOM 571 CE1 PHE A 36 118.653 9.008 11.465 1.00 0.00 C ATOM 572 CE2 PHE A 36 118.684 7.030 12.793 1.00 0.00 C ATOM 573 CZ PHE A 36 118.897 8.383 12.669 1.00 0.00 C ATOM 0 H PHE A 36 120.213 6.846 7.826 1.00 0.00 H new ATOM 0 HA PHE A 36 119.413 5.221 8.999 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.781 6.718 8.763 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.937 5.251 9.708 1.00 0.00 H new ATOM 0 HD1 PHE A 36 118.007 8.775 9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 36 118.062 5.246 11.815 1.00 0.00 H new ATOM 0 HE1 PHE A 36 118.820 10.070 11.365 1.00 0.00 H new ATOM 0 HE2 PHE A 36 118.873 6.535 13.734 1.00 0.00 H new ATOM 0 HZ PHE A 36 119.255 8.954 13.513 1.00 0.00 H new ATOM 583 N SER A 37 118.614 4.389 6.296 1.00 0.00 N ATOM 584 CA SER A 37 118.223 3.331 5.364 1.00 0.00 C ATOM 585 C SER A 37 119.248 2.195 5.359 1.00 0.00 C ATOM 586 O SER A 37 119.153 1.282 4.558 1.00 0.00 O ATOM 587 CB SER A 37 118.107 3.892 3.951 1.00 0.00 C ATOM 588 OG SER A 37 117.211 4.987 3.900 1.00 0.00 O ATOM 0 H SER A 37 119.289 5.053 5.916 1.00 0.00 H new ATOM 0 HA SER A 37 117.259 2.941 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.090 4.208 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.765 3.109 3.274 1.00 0.00 H new ATOM 0 HG SER A 37 117.530 5.640 3.243 1.00 0.00 H new ATOM 594 N GLU A 38 120.189 2.253 6.303 1.00 0.00 N ATOM 595 CA GLU A 38 121.332 1.306 6.434 1.00 0.00 C ATOM 596 C GLU A 38 120.954 -0.187 6.310 1.00 0.00 C ATOM 597 O GLU A 38 121.758 -1.007 5.880 1.00 0.00 O ATOM 598 CB GLU A 38 122.041 1.555 7.759 1.00 0.00 C ATOM 599 CG GLU A 38 121.106 1.513 8.954 1.00 0.00 C ATOM 600 CD GLU A 38 121.822 1.690 10.253 1.00 0.00 C ATOM 601 OE1 GLU A 38 122.081 2.829 10.646 1.00 0.00 O ATOM 602 OE2 GLU A 38 122.131 0.684 10.917 1.00 0.00 O ATOM 0 H GLU A 38 120.190 2.974 7.024 1.00 0.00 H new ATOM 0 HA GLU A 38 121.990 1.508 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 38 122.823 0.808 7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 38 122.532 2.527 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 38 120.354 2.295 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 38 120.577 0.560 8.963 1.00 0.00 H new ATOM 609 N GLU A 39 119.724 -0.503 6.633 1.00 0.00 N ATOM 610 CA GLU A 39 119.225 -1.863 6.637 1.00 0.00 C ATOM 611 C GLU A 39 119.268 -2.523 5.247 1.00 0.00 C ATOM 612 O GLU A 39 119.241 -3.738 5.143 1.00 0.00 O ATOM 613 CB GLU A 39 117.818 -1.869 7.171 1.00 0.00 C ATOM 614 CG GLU A 39 117.696 -1.174 8.505 1.00 0.00 C ATOM 615 CD GLU A 39 116.319 -1.234 9.048 1.00 0.00 C ATOM 616 OE1 GLU A 39 115.439 -0.523 8.539 1.00 0.00 O ATOM 617 OE2 GLU A 39 116.075 -2.009 9.975 1.00 0.00 O ATOM 0 H GLU A 39 119.026 0.188 6.906 1.00 0.00 H new ATOM 0 HA GLU A 39 119.880 -2.452 7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 39 117.159 -1.383 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 39 117.476 -2.899 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 118.384 -1.633 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 39 117.996 -0.132 8.398 1.00 0.00 H new ATOM 624 N ASN A 40 119.347 -1.731 4.197 1.00 0.00 N ATOM 625 CA ASN A 40 119.397 -2.288 2.846 1.00 0.00 C ATOM 626 C ASN A 40 120.822 -2.744 2.455 1.00 0.00 C ATOM 627 O ASN A 40 121.021 -3.797 1.773 1.00 0.00 O ATOM 628 CB ASN A 40 118.749 -1.345 1.807 1.00 0.00 C ATOM 629 CG ASN A 40 119.319 0.059 1.740 1.00 0.00 C ATOM 630 OD1 ASN A 40 120.460 0.282 2.023 1.00 0.00 O ATOM 631 ND2 ASN A 40 118.493 1.013 1.383 1.00 0.00 N ATOM 0 H ASN A 40 119.378 -0.713 4.243 1.00 0.00 H new ATOM 0 HA ASN A 40 118.789 -3.193 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 40 118.843 -1.802 0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 40 117.683 -1.274 2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 40 118.817 1.979 1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 40 117.526 0.789 1.148 1.00 0.00 H new ATOM 638 N ILE A 41 121.811 -2.020 2.926 1.00 0.00 N ATOM 639 CA ILE A 41 123.195 -2.415 2.703 1.00 0.00 C ATOM 640 C ILE A 41 123.437 -3.695 3.502 1.00 0.00 C ATOM 641 O ILE A 41 124.081 -4.643 3.046 1.00 0.00 O ATOM 642 CB ILE A 41 124.224 -1.287 3.098 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.482 -1.421 2.214 1.00 0.00 C ATOM 644 CG2 ILE A 41 124.608 -1.325 4.605 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.546 -0.367 2.447 1.00 0.00 C ATOM 0 H ILE A 41 121.692 -1.161 3.462 1.00 0.00 H new ATOM 0 HA ILE A 41 123.355 -2.586 1.638 1.00 0.00 H new ATOM 0 HB ILE A 41 123.746 -0.322 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.923 -2.404 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.178 -1.383 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 41 125.318 -0.527 4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 41 123.713 -1.187 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 41 125.062 -2.288 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.389 -0.547 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 41 126.130 0.621 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.886 -0.416 3.481 1.00 0.00 H new ATOM 657 N GLU A 42 122.808 -3.728 4.659 1.00 0.00 N ATOM 658 CA GLU A 42 122.839 -4.836 5.544 1.00 0.00 C ATOM 659 C GLU A 42 121.948 -5.974 5.030 1.00 0.00 C ATOM 660 O GLU A 42 122.065 -7.110 5.483 1.00 0.00 O ATOM 661 CB GLU A 42 122.403 -4.387 6.916 1.00 0.00 C ATOM 662 CG GLU A 42 123.514 -3.956 7.879 1.00 0.00 C ATOM 663 CD GLU A 42 124.481 -2.898 7.480 1.00 0.00 C ATOM 664 OE1 GLU A 42 124.199 -1.711 7.741 1.00 0.00 O ATOM 665 OE2 GLU A 42 125.601 -3.229 7.052 1.00 0.00 O ATOM 0 H GLU A 42 122.247 -2.950 5.005 1.00 0.00 H new ATOM 0 HA GLU A 42 123.857 -5.221 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.711 -3.553 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.846 -5.201 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 42 123.033 -3.624 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.092 -4.847 8.125 1.00 0.00 H new ATOM 672 N PHE A 43 121.047 -5.657 4.105 1.00 0.00 N ATOM 673 CA PHE A 43 120.221 -6.649 3.445 1.00 0.00 C ATOM 674 C PHE A 43 121.094 -7.581 2.647 1.00 0.00 C ATOM 675 O PHE A 43 121.048 -8.801 2.842 1.00 0.00 O ATOM 676 CB PHE A 43 119.169 -5.984 2.532 1.00 0.00 C ATOM 677 CG PHE A 43 118.423 -6.928 1.625 1.00 0.00 C ATOM 678 CD1 PHE A 43 118.919 -7.248 0.362 1.00 0.00 C ATOM 679 CD2 PHE A 43 117.239 -7.488 2.025 1.00 0.00 C ATOM 680 CE1 PHE A 43 118.243 -8.107 -0.465 1.00 0.00 C ATOM 681 CE2 PHE A 43 116.555 -8.346 1.196 1.00 0.00 C ATOM 682 CZ PHE A 43 117.059 -8.655 -0.051 1.00 0.00 C ATOM 0 H PHE A 43 120.873 -4.701 3.795 1.00 0.00 H new ATOM 0 HA PHE A 43 119.686 -7.216 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.447 -5.459 3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.666 -5.232 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 43 119.850 -6.812 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.839 -7.254 3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 43 118.643 -8.350 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 43 115.621 -8.779 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.519 -9.329 -0.700 1.00 0.00 H new ATOM 692 N TRP A 44 121.913 -7.042 1.740 1.00 0.00 N ATOM 693 CA TRP A 44 122.770 -7.969 0.995 1.00 0.00 C ATOM 694 C TRP A 44 123.893 -8.533 1.842 1.00 0.00 C ATOM 695 O TRP A 44 124.442 -9.594 1.542 1.00 0.00 O ATOM 696 CB TRP A 44 123.214 -7.529 -0.416 1.00 0.00 C ATOM 697 CG TRP A 44 123.903 -6.217 -0.546 1.00 0.00 C ATOM 698 CD1 TRP A 44 123.415 -5.125 -1.182 1.00 0.00 C ATOM 699 CD2 TRP A 44 125.208 -5.853 -0.061 1.00 0.00 C ATOM 700 NE1 TRP A 44 124.323 -4.117 -1.145 1.00 0.00 N ATOM 701 CE2 TRP A 44 125.426 -4.529 -0.442 1.00 0.00 C ATOM 702 CE3 TRP A 44 126.208 -6.515 0.665 1.00 0.00 C ATOM 703 CZ2 TRP A 44 126.592 -3.854 -0.131 1.00 0.00 C ATOM 704 CZ3 TRP A 44 127.367 -5.834 0.974 1.00 0.00 C ATOM 705 CH2 TRP A 44 127.546 -4.514 0.579 1.00 0.00 C ATOM 0 H TRP A 44 122.002 -6.051 1.514 1.00 0.00 H new ATOM 0 HA TRP A 44 122.097 -8.795 0.764 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.877 -8.297 -0.814 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.331 -7.509 -1.055 1.00 0.00 H new ATOM 0 HD1 TRP A 44 122.444 -5.065 -1.651 1.00 0.00 H new ATOM 0 HE1 TRP A 44 124.204 -3.199 -1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 44 126.073 -7.540 0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 126.741 -2.831 -0.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 128.146 -6.334 1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 44 128.460 -4.002 0.841 1.00 0.00 H new ATOM 716 N ILE A 45 124.217 -7.837 2.918 1.00 0.00 N ATOM 717 CA ILE A 45 125.141 -8.362 3.898 1.00 0.00 C ATOM 718 C ILE A 45 124.536 -9.596 4.552 1.00 0.00 C ATOM 719 O ILE A 45 125.216 -10.594 4.730 1.00 0.00 O ATOM 720 CB ILE A 45 125.564 -7.290 4.945 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.532 -6.311 4.279 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.168 -7.906 6.210 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.063 -5.231 5.173 1.00 0.00 C ATOM 0 H ILE A 45 123.852 -6.909 3.132 1.00 0.00 H new ATOM 0 HA ILE A 45 126.060 -8.651 3.388 1.00 0.00 H new ATOM 0 HB ILE A 45 124.672 -6.758 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.374 -6.874 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 45 126.027 -5.845 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.445 -7.113 6.905 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.435 -8.562 6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 45 127.054 -8.483 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.739 -4.590 4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.234 -4.635 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.602 -5.681 6.007 1.00 0.00 H new ATOM 735 N ALA A 46 123.236 -9.540 4.832 1.00 0.00 N ATOM 736 CA ALA A 46 122.504 -10.680 5.370 1.00 0.00 C ATOM 737 C ALA A 46 122.545 -11.827 4.383 1.00 0.00 C ATOM 738 O ALA A 46 122.580 -12.963 4.784 1.00 0.00 O ATOM 739 CB ALA A 46 121.048 -10.324 5.662 1.00 0.00 C ATOM 0 H ALA A 46 122.664 -8.707 4.693 1.00 0.00 H new ATOM 0 HA ALA A 46 122.982 -10.970 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.533 -11.198 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.011 -9.515 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.560 -10.005 4.741 1.00 0.00 H new ATOM 745 N CYS A 47 122.568 -11.501 3.097 1.00 0.00 N ATOM 746 CA CYS A 47 122.591 -12.495 2.026 1.00 0.00 C ATOM 747 C CYS A 47 123.978 -13.166 1.901 1.00 0.00 C ATOM 748 O CYS A 47 124.086 -14.377 1.680 1.00 0.00 O ATOM 749 CB CYS A 47 122.195 -11.838 0.703 1.00 0.00 C ATOM 750 SG CYS A 47 120.613 -10.962 0.765 1.00 0.00 S ATOM 0 H CYS A 47 122.571 -10.537 2.764 1.00 0.00 H new ATOM 0 HA CYS A 47 121.872 -13.276 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 47 122.976 -11.137 0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.145 -12.604 -0.071 1.00 0.00 H new ATOM 0 HG CYS A 47 120.625 -10.114 1.751 1.00 0.00 H new ATOM 756 N GLU A 48 125.033 -12.393 2.054 1.00 0.00 N ATOM 757 CA GLU A 48 126.374 -12.951 1.990 1.00 0.00 C ATOM 758 C GLU A 48 126.629 -13.711 3.307 1.00 0.00 C ATOM 759 O GLU A 48 127.189 -14.798 3.324 1.00 0.00 O ATOM 760 CB GLU A 48 127.390 -11.817 1.705 1.00 0.00 C ATOM 761 CG GLU A 48 128.792 -12.231 1.217 1.00 0.00 C ATOM 762 CD GLU A 48 129.726 -12.783 2.280 1.00 0.00 C ATOM 763 OE1 GLU A 48 130.409 -11.977 2.959 1.00 0.00 O ATOM 764 OE2 GLU A 48 129.851 -14.017 2.407 1.00 0.00 O ATOM 0 H GLU A 48 124.993 -11.388 2.222 1.00 0.00 H new ATOM 0 HA GLU A 48 126.490 -13.663 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 48 126.955 -11.154 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 48 127.509 -11.233 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 48 128.677 -12.982 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 48 129.267 -11.364 0.758 1.00 0.00 H new ATOM 771 N ASP A 49 126.115 -13.162 4.397 1.00 0.00 N ATOM 772 CA ASP A 49 126.170 -13.824 5.708 1.00 0.00 C ATOM 773 C ASP A 49 125.347 -15.108 5.680 1.00 0.00 C ATOM 774 O ASP A 49 125.626 -16.074 6.387 1.00 0.00 O ATOM 775 CB ASP A 49 125.663 -12.889 6.808 1.00 0.00 C ATOM 776 CG ASP A 49 125.610 -13.539 8.169 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.671 -13.772 8.781 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.492 -13.816 8.667 1.00 0.00 O ATOM 0 H ASP A 49 125.650 -12.254 4.407 1.00 0.00 H new ATOM 0 HA ASP A 49 127.208 -14.075 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.310 -12.013 6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.667 -12.535 6.543 1.00 0.00 H new ATOM 783 N PHE A 50 124.343 -15.099 4.852 1.00 0.00 N ATOM 784 CA PHE A 50 123.477 -16.229 4.615 1.00 0.00 C ATOM 785 C PHE A 50 124.257 -17.391 4.004 1.00 0.00 C ATOM 786 O PHE A 50 124.114 -18.530 4.442 1.00 0.00 O ATOM 787 CB PHE A 50 122.307 -15.768 3.734 1.00 0.00 C ATOM 788 CG PHE A 50 121.451 -16.820 3.158 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.643 -17.582 3.953 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.454 -17.037 1.798 1.00 0.00 C ATOM 791 CE1 PHE A 50 119.848 -18.552 3.406 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.663 -17.998 1.245 1.00 0.00 C ATOM 793 CZ PHE A 50 119.856 -18.761 2.049 1.00 0.00 C ATOM 0 H PHE A 50 124.092 -14.278 4.301 1.00 0.00 H new ATOM 0 HA PHE A 50 123.072 -16.603 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.677 -15.105 4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.713 -15.174 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.632 -17.418 5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.091 -16.439 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.214 -19.153 4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.671 -18.158 0.177 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.228 -19.525 1.616 1.00 0.00 H new ATOM 803 N LYS A 51 125.122 -17.091 3.042 1.00 0.00 N ATOM 804 CA LYS A 51 125.934 -18.138 2.426 1.00 0.00 C ATOM 805 C LYS A 51 127.125 -18.528 3.316 1.00 0.00 C ATOM 806 O LYS A 51 127.820 -19.522 3.042 1.00 0.00 O ATOM 807 CB LYS A 51 126.412 -17.768 1.010 1.00 0.00 C ATOM 808 CG LYS A 51 127.387 -16.606 0.929 1.00 0.00 C ATOM 809 CD LYS A 51 127.862 -16.412 -0.490 1.00 0.00 C ATOM 810 CE LYS A 51 128.868 -15.280 -0.635 1.00 0.00 C ATOM 811 NZ LYS A 51 130.067 -15.478 0.207 1.00 0.00 N ATOM 0 H LYS A 51 125.279 -16.152 2.676 1.00 0.00 H new ATOM 0 HA LYS A 51 125.281 -19.005 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.882 -18.645 0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 51 125.539 -17.530 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 51 126.906 -15.695 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 51 128.240 -16.793 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 51 128.313 -17.338 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 51 127.003 -16.210 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 51 129.170 -15.198 -1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 51 128.391 -14.337 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.843 -14.883 -0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 129.849 -15.213 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 130.353 -16.477 0.174 1.00 0.00 H new ATOM 825 N LYS A 52 127.395 -17.718 4.347 1.00 0.00 N ATOM 826 CA LYS A 52 128.432 -18.051 5.326 1.00 0.00 C ATOM 827 C LYS A 52 128.030 -19.317 6.083 1.00 0.00 C ATOM 828 O LYS A 52 128.868 -20.183 6.367 1.00 0.00 O ATOM 829 CB LYS A 52 128.705 -16.888 6.294 1.00 0.00 C ATOM 830 CG LYS A 52 129.179 -15.623 5.605 1.00 0.00 C ATOM 831 CD LYS A 52 129.496 -14.502 6.590 1.00 0.00 C ATOM 832 CE LYS A 52 129.818 -13.218 5.839 1.00 0.00 C ATOM 833 NZ LYS A 52 130.156 -12.089 6.727 1.00 0.00 N ATOM 0 H LYS A 52 126.914 -16.836 4.523 1.00 0.00 H new ATOM 0 HA LYS A 52 129.364 -18.234 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 52 127.794 -16.669 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 52 129.456 -17.199 7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.068 -15.846 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.412 -15.284 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 52 128.647 -14.340 7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 52 130.341 -14.787 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.653 -13.401 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 52 128.963 -12.942 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 130.364 -11.247 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 129.352 -11.889 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 130.990 -12.334 7.298 1.00 0.00 H new ATOM 847 N SER A 53 126.755 -19.427 6.406 1.00 0.00 N ATOM 848 CA SER A 53 126.235 -20.648 6.948 1.00 0.00 C ATOM 849 C SER A 53 126.049 -21.626 5.800 1.00 0.00 C ATOM 850 O SER A 53 125.310 -21.359 4.878 1.00 0.00 O ATOM 851 CB SER A 53 124.940 -20.397 7.732 1.00 0.00 C ATOM 852 OG SER A 53 124.101 -19.434 7.092 1.00 0.00 O ATOM 0 H SER A 53 126.068 -18.681 6.299 1.00 0.00 H new ATOM 0 HA SER A 53 126.932 -21.077 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.396 -21.335 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.186 -20.052 8.736 1.00 0.00 H new ATOM 0 HG SER A 53 124.209 -19.500 6.120 1.00 0.00 H new ATOM 858 N LYS A 54 126.751 -22.721 5.851 1.00 0.00 N ATOM 859 CA LYS A 54 126.792 -23.649 4.739 1.00 0.00 C ATOM 860 C LYS A 54 125.994 -24.919 4.981 1.00 0.00 C ATOM 861 O LYS A 54 126.020 -25.843 4.160 1.00 0.00 O ATOM 862 CB LYS A 54 128.260 -23.923 4.339 1.00 0.00 C ATOM 863 CG LYS A 54 129.215 -24.273 5.500 1.00 0.00 C ATOM 864 CD LYS A 54 129.049 -25.695 6.033 1.00 0.00 C ATOM 865 CE LYS A 54 129.474 -26.730 5.001 1.00 0.00 C ATOM 866 NZ LYS A 54 130.886 -26.546 4.590 1.00 0.00 N ATOM 0 H LYS A 54 127.311 -23.002 6.656 1.00 0.00 H new ATOM 0 HA LYS A 54 126.291 -23.177 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.275 -24.743 3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 54 128.648 -23.043 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.243 -24.140 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.052 -23.569 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 54 129.643 -25.817 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 54 128.008 -25.862 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 54 129.342 -27.730 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 54 128.828 -26.658 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 131.232 -27.417 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 130.951 -25.757 3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 131.466 -26.335 5.427 1.00 0.00 H new ATOM 880 N GLY A 55 125.281 -24.959 6.076 1.00 0.00 N ATOM 881 CA GLY A 55 124.467 -26.107 6.382 1.00 0.00 C ATOM 882 C GLY A 55 123.126 -25.955 5.729 1.00 0.00 C ATOM 883 O GLY A 55 122.428 -25.002 6.029 1.00 0.00 O ATOM 0 H GLY A 55 125.247 -24.212 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 55 124.954 -27.016 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.349 -26.206 7.461 1.00 0.00 H new ATOM 887 N PRO A 56 122.728 -26.874 4.836 1.00 0.00 N ATOM 888 CA PRO A 56 121.493 -26.747 4.059 1.00 0.00 C ATOM 889 C PRO A 56 120.236 -26.589 4.919 1.00 0.00 C ATOM 890 O PRO A 56 119.341 -25.822 4.566 1.00 0.00 O ATOM 891 CB PRO A 56 121.444 -28.008 3.204 1.00 0.00 C ATOM 892 CG PRO A 56 122.845 -28.513 3.199 1.00 0.00 C ATOM 893 CD PRO A 56 123.438 -28.116 4.513 1.00 0.00 C ATOM 0 HA PRO A 56 121.504 -25.835 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.759 -28.745 3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.098 -27.789 2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 56 122.868 -29.595 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.410 -28.084 2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.280 -28.880 5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.514 -27.958 4.439 1.00 0.00 H new ATOM 901 N GLN A 57 120.179 -27.267 6.067 1.00 0.00 N ATOM 902 CA GLN A 57 119.032 -27.102 6.972 1.00 0.00 C ATOM 903 C GLN A 57 118.970 -25.662 7.470 1.00 0.00 C ATOM 904 O GLN A 57 117.902 -25.048 7.507 1.00 0.00 O ATOM 905 CB GLN A 57 119.086 -28.069 8.169 1.00 0.00 C ATOM 906 CG GLN A 57 120.304 -27.899 9.059 1.00 0.00 C ATOM 907 CD GLN A 57 120.326 -28.836 10.234 1.00 0.00 C ATOM 908 OE1 GLN A 57 119.286 -29.240 10.754 1.00 0.00 O ATOM 909 NE2 GLN A 57 121.500 -29.181 10.661 1.00 0.00 N ATOM 0 H GLN A 57 120.892 -27.921 6.390 1.00 0.00 H new ATOM 0 HA GLN A 57 118.132 -27.339 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 57 118.189 -27.931 8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.065 -29.093 7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 57 121.203 -28.055 8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 57 120.337 -26.872 9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 57 122.336 -28.822 10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 57 121.588 -29.811 11.458 1.00 0.00 H new ATOM 918 N GLN A 58 120.146 -25.113 7.757 1.00 0.00 N ATOM 919 CA GLN A 58 120.303 -23.770 8.264 1.00 0.00 C ATOM 920 C GLN A 58 119.881 -22.781 7.200 1.00 0.00 C ATOM 921 O GLN A 58 119.336 -21.727 7.504 1.00 0.00 O ATOM 922 CB GLN A 58 121.772 -23.535 8.662 1.00 0.00 C ATOM 923 CG GLN A 58 122.049 -22.192 9.311 1.00 0.00 C ATOM 924 CD GLN A 58 121.323 -22.008 10.632 1.00 0.00 C ATOM 925 OE1 GLN A 58 120.952 -20.902 10.992 1.00 0.00 O ATOM 926 NE2 GLN A 58 121.150 -23.070 11.377 1.00 0.00 N ATOM 0 H GLN A 58 121.031 -25.607 7.638 1.00 0.00 H new ATOM 0 HA GLN A 58 119.676 -23.633 9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.078 -24.324 9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.394 -23.628 7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.122 -22.089 9.475 1.00 0.00 H new ATOM 0 HG3 GLN A 58 121.753 -21.397 8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 58 121.471 -23.981 11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 58 120.694 -22.987 12.286 1.00 0.00 H new ATOM 935 N ILE A 59 120.109 -23.160 5.955 1.00 0.00 N ATOM 936 CA ILE A 59 119.764 -22.351 4.801 1.00 0.00 C ATOM 937 C ILE A 59 118.276 -22.055 4.784 1.00 0.00 C ATOM 938 O ILE A 59 117.879 -20.926 4.616 1.00 0.00 O ATOM 939 CB ILE A 59 120.148 -23.053 3.471 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.630 -23.426 3.452 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.772 -22.220 2.262 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.574 -22.313 3.795 1.00 0.00 C ATOM 0 H ILE A 59 120.545 -24.050 5.715 1.00 0.00 H new ATOM 0 HA ILE A 59 120.329 -21.422 4.884 1.00 0.00 H new ATOM 0 HB ILE A 59 119.571 -23.976 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.791 -24.246 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.881 -23.801 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.058 -22.748 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.695 -22.049 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.291 -21.263 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.600 -22.680 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.451 -21.498 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.359 -21.950 4.800 1.00 0.00 H new ATOM 954 N HIS A 60 117.465 -23.082 5.003 1.00 0.00 N ATOM 955 CA HIS A 60 116.000 -22.921 4.989 1.00 0.00 C ATOM 956 C HIS A 60 115.559 -21.958 6.070 1.00 0.00 C ATOM 957 O HIS A 60 114.706 -21.117 5.845 1.00 0.00 O ATOM 958 CB HIS A 60 115.258 -24.258 5.168 1.00 0.00 C ATOM 959 CG HIS A 60 115.452 -25.255 4.064 1.00 0.00 C ATOM 960 ND1 HIS A 60 114.459 -25.639 3.189 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.526 -25.973 3.727 1.00 0.00 C ATOM 962 CE1 HIS A 60 114.934 -26.550 2.365 1.00 0.00 C ATOM 963 NE2 HIS A 60 116.186 -26.766 2.672 1.00 0.00 N ATOM 0 H HIS A 60 117.785 -24.032 5.192 1.00 0.00 H new ATOM 0 HA HIS A 60 115.742 -22.522 4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 60 115.582 -24.711 6.105 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.192 -24.052 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.493 -25.933 4.206 1.00 0.00 H new ATOM 0 HE1 HIS A 60 114.384 -27.035 1.572 1.00 0.00 H new ATOM 0 HE2 HIS A 60 116.808 -27.422 2.199 1.00 0.00 H new ATOM 972 N LEU A 61 116.185 -22.076 7.222 1.00 0.00 N ATOM 973 CA LEU A 61 115.878 -21.254 8.387 1.00 0.00 C ATOM 974 C LEU A 61 116.244 -19.808 8.085 1.00 0.00 C ATOM 975 O LEU A 61 115.397 -18.910 8.103 1.00 0.00 O ATOM 976 CB LEU A 61 116.730 -21.725 9.557 1.00 0.00 C ATOM 977 CG LEU A 61 116.824 -23.228 9.761 1.00 0.00 C ATOM 978 CD1 LEU A 61 117.813 -23.531 10.843 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.476 -23.837 10.076 1.00 0.00 C ATOM 0 H LEU A 61 116.931 -22.752 7.384 1.00 0.00 H new ATOM 0 HA LEU A 61 114.818 -21.335 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 61 117.739 -21.334 9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.333 -21.280 10.470 1.00 0.00 H new ATOM 0 HG LEU A 61 117.166 -23.677 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 61 117.877 -24.610 10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.792 -23.144 10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 61 117.491 -23.061 11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.586 -24.913 10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.080 -23.392 10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.789 -23.646 9.252 1.00 0.00 H new ATOM 991 N LYS A 62 117.524 -19.617 7.791 1.00 0.00 N ATOM 992 CA LYS A 62 118.090 -18.307 7.442 1.00 0.00 C ATOM 993 C LYS A 62 117.324 -17.627 6.303 1.00 0.00 C ATOM 994 O LYS A 62 116.953 -16.458 6.411 1.00 0.00 O ATOM 995 CB LYS A 62 119.559 -18.441 7.029 1.00 0.00 C ATOM 996 CG LYS A 62 120.529 -18.806 8.131 1.00 0.00 C ATOM 997 CD LYS A 62 120.627 -17.708 9.167 1.00 0.00 C ATOM 998 CE LYS A 62 121.718 -18.005 10.181 1.00 0.00 C ATOM 999 NZ LYS A 62 123.051 -18.102 9.543 1.00 0.00 N ATOM 0 H LYS A 62 118.211 -20.371 7.786 1.00 0.00 H new ATOM 0 HA LYS A 62 118.005 -17.690 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.628 -19.197 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 62 119.879 -17.497 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.207 -19.731 8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.514 -18.994 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.833 -16.758 8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 62 119.671 -17.601 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 62 121.734 -17.221 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.492 -18.939 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.782 -18.187 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.081 -18.939 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.228 -17.248 8.976 1.00 0.00 H new ATOM 1013 N ALA A 63 117.086 -18.367 5.229 1.00 0.00 N ATOM 1014 CA ALA A 63 116.418 -17.832 4.054 1.00 0.00 C ATOM 1015 C ALA A 63 115.028 -17.398 4.376 1.00 0.00 C ATOM 1016 O ALA A 63 114.614 -16.318 4.000 1.00 0.00 O ATOM 1017 CB ALA A 63 116.371 -18.854 2.936 1.00 0.00 C ATOM 0 H ALA A 63 117.349 -19.349 5.149 1.00 0.00 H new ATOM 0 HA ALA A 63 116.996 -16.969 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.865 -18.424 2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.386 -19.137 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.827 -19.737 3.273 1.00 0.00 H new ATOM 1023 N LYS A 64 114.316 -18.231 5.092 1.00 0.00 N ATOM 1024 CA LYS A 64 112.944 -17.948 5.422 1.00 0.00 C ATOM 1025 C LYS A 64 112.859 -16.728 6.343 1.00 0.00 C ATOM 1026 O LYS A 64 111.949 -15.917 6.219 1.00 0.00 O ATOM 1027 CB LYS A 64 112.286 -19.168 6.049 1.00 0.00 C ATOM 1028 CG LYS A 64 110.779 -19.144 6.005 1.00 0.00 C ATOM 1029 CD LYS A 64 110.285 -19.028 4.567 1.00 0.00 C ATOM 1030 CE LYS A 64 108.785 -19.178 4.478 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.342 -20.542 4.839 1.00 0.00 N ATOM 0 H LYS A 64 114.667 -19.116 5.459 1.00 0.00 H new ATOM 0 HA LYS A 64 112.401 -17.713 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.640 -20.062 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 64 112.607 -19.248 7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.382 -20.052 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.406 -18.305 6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.579 -18.061 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.764 -19.792 3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.308 -18.455 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.457 -18.947 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.365 -20.688 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.966 -21.241 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.383 -20.658 5.872 1.00 0.00 H new ATOM 1045 N ALA A 65 113.840 -16.586 7.222 1.00 0.00 N ATOM 1046 CA ALA A 65 113.923 -15.442 8.114 1.00 0.00 C ATOM 1047 C ALA A 65 114.120 -14.158 7.315 1.00 0.00 C ATOM 1048 O ALA A 65 113.370 -13.194 7.478 1.00 0.00 O ATOM 1049 CB ALA A 65 115.061 -15.625 9.108 1.00 0.00 C ATOM 0 H ALA A 65 114.598 -17.259 7.336 1.00 0.00 H new ATOM 0 HA ALA A 65 112.987 -15.367 8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.110 -14.760 9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 65 114.886 -16.524 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.003 -15.723 8.569 1.00 0.00 H new ATOM 1055 N ILE A 66 115.110 -14.164 6.431 1.00 0.00 N ATOM 1056 CA ILE A 66 115.414 -13.004 5.599 1.00 0.00 C ATOM 1057 C ILE A 66 114.248 -12.731 4.630 1.00 0.00 C ATOM 1058 O ILE A 66 113.909 -11.588 4.349 1.00 0.00 O ATOM 1059 CB ILE A 66 116.768 -13.184 4.836 1.00 0.00 C ATOM 1060 CG1 ILE A 66 117.902 -13.436 5.852 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.081 -11.958 3.970 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.271 -13.670 5.238 1.00 0.00 C ATOM 0 H ILE A 66 115.721 -14.965 6.270 1.00 0.00 H new ATOM 0 HA ILE A 66 115.532 -12.136 6.247 1.00 0.00 H new ATOM 0 HB ILE A 66 116.684 -14.044 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 66 117.963 -12.581 6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.640 -14.302 6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.027 -12.111 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.285 -11.816 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.153 -11.074 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.001 -13.837 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.234 -14.544 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.562 -12.796 4.655 1.00 0.00 H new ATOM 1074 N TYR A 67 113.627 -13.788 4.157 1.00 0.00 N ATOM 1075 CA TYR A 67 112.438 -13.681 3.341 1.00 0.00 C ATOM 1076 C TYR A 67 111.332 -12.963 4.123 1.00 0.00 C ATOM 1077 O TYR A 67 110.934 -11.872 3.761 1.00 0.00 O ATOM 1078 CB TYR A 67 111.958 -15.080 2.905 1.00 0.00 C ATOM 1079 CG TYR A 67 110.664 -15.059 2.136 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.638 -14.734 0.794 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.460 -15.327 2.773 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.453 -14.672 0.105 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.272 -15.279 2.098 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.260 -14.954 0.769 1.00 0.00 C ATOM 1085 OH TYR A 67 107.050 -14.881 0.112 1.00 0.00 O ATOM 0 H TYR A 67 113.932 -14.746 4.327 1.00 0.00 H new ATOM 0 HA TYR A 67 112.675 -13.103 2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.729 -15.545 2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 67 111.836 -15.705 3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.564 -14.526 0.279 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.462 -15.579 3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.445 -14.407 -0.942 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.347 -15.497 2.612 1.00 0.00 H new ATOM 0 HH TYR A 67 106.327 -15.112 0.732 1.00 0.00 H new ATOM 1095 N GLU A 68 110.907 -13.542 5.232 1.00 0.00 N ATOM 1096 CA GLU A 68 109.776 -13.018 5.995 1.00 0.00 C ATOM 1097 C GLU A 68 110.036 -11.639 6.624 1.00 0.00 C ATOM 1098 O GLU A 68 109.095 -10.892 6.896 1.00 0.00 O ATOM 1099 CB GLU A 68 109.290 -14.021 7.042 1.00 0.00 C ATOM 1100 CG GLU A 68 108.734 -15.314 6.454 1.00 0.00 C ATOM 1101 CD GLU A 68 108.132 -16.221 7.501 1.00 0.00 C ATOM 1102 OE1 GLU A 68 108.866 -17.005 8.127 1.00 0.00 O ATOM 1103 OE2 GLU A 68 106.903 -16.165 7.729 1.00 0.00 O ATOM 0 H GLU A 68 111.328 -14.381 5.631 1.00 0.00 H new ATOM 0 HA GLU A 68 108.979 -12.868 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.117 -14.264 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.518 -13.550 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 68 107.976 -15.073 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.532 -15.845 5.935 1.00 0.00 H new ATOM 1110 N LYS A 69 111.279 -11.302 6.851 1.00 0.00 N ATOM 1111 CA LYS A 69 111.608 -10.006 7.412 1.00 0.00 C ATOM 1112 C LYS A 69 111.813 -8.937 6.326 1.00 0.00 C ATOM 1113 O LYS A 69 111.584 -7.735 6.564 1.00 0.00 O ATOM 1114 CB LYS A 69 112.854 -10.112 8.315 1.00 0.00 C ATOM 1115 CG LYS A 69 113.362 -8.775 8.848 1.00 0.00 C ATOM 1116 CD LYS A 69 114.566 -8.930 9.759 1.00 0.00 C ATOM 1117 CE LYS A 69 114.216 -9.637 11.052 1.00 0.00 C ATOM 1118 NZ LYS A 69 115.401 -9.796 11.912 1.00 0.00 N ATOM 0 H LYS A 69 112.082 -11.901 6.659 1.00 0.00 H new ATOM 0 HA LYS A 69 110.758 -9.688 8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 69 112.622 -10.761 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 69 113.655 -10.593 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 69 113.626 -8.130 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 69 112.560 -8.277 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.343 -9.490 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 69 114.978 -7.946 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 69 113.452 -9.070 11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 69 113.791 -10.616 10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 115.130 -10.283 12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 116.120 -10.357 11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 115.791 -8.860 12.142 1.00 0.00 H new ATOM 1132 N PHE A 70 112.155 -9.360 5.131 1.00 0.00 N ATOM 1133 CA PHE A 70 112.573 -8.421 4.112 1.00 0.00 C ATOM 1134 C PHE A 70 111.819 -8.618 2.806 1.00 0.00 C ATOM 1135 O PHE A 70 111.130 -7.732 2.334 1.00 0.00 O ATOM 1136 CB PHE A 70 114.086 -8.562 3.841 1.00 0.00 C ATOM 1137 CG PHE A 70 115.016 -8.189 4.972 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.295 -6.862 5.248 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.633 -9.167 5.735 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.166 -6.520 6.265 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.508 -8.833 6.747 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.774 -7.505 7.013 1.00 0.00 C ATOM 0 H PHE A 70 112.153 -10.338 4.841 1.00 0.00 H new ATOM 0 HA PHE A 70 112.349 -7.424 4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.287 -9.597 3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.336 -7.945 2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.827 -6.085 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.425 -10.208 5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.370 -5.480 6.474 1.00 0.00 H new ATOM 0 HE2 PHE A 70 116.984 -9.608 7.330 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.457 -7.238 7.806 1.00 0.00 H new ATOM 1152 N ILE A 71 111.959 -9.784 2.241 1.00 0.00 N ATOM 1153 CA ILE A 71 111.392 -10.116 0.929 1.00 0.00 C ATOM 1154 C ILE A 71 109.850 -10.170 0.975 1.00 0.00 C ATOM 1155 O ILE A 71 109.164 -10.023 -0.048 1.00 0.00 O ATOM 1156 CB ILE A 71 111.993 -11.463 0.412 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.521 -11.390 0.405 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.469 -11.871 -0.971 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.076 -10.266 -0.434 1.00 0.00 C ATOM 0 H ILE A 71 112.474 -10.553 2.670 1.00 0.00 H new ATOM 0 HA ILE A 71 111.661 -9.325 0.229 1.00 0.00 H new ATOM 0 HB ILE A 71 111.665 -12.238 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.874 -11.274 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.918 -12.336 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.926 -12.814 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.386 -11.990 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.722 -11.099 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.165 -10.281 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.755 -10.391 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.710 -9.313 -0.053 1.00 0.00 H new ATOM 1171 N GLN A 72 109.326 -10.375 2.159 1.00 0.00 N ATOM 1172 CA GLN A 72 107.893 -10.385 2.383 1.00 0.00 C ATOM 1173 C GLN A 72 107.384 -8.941 2.285 1.00 0.00 C ATOM 1174 O GLN A 72 108.122 -8.015 2.564 1.00 0.00 O ATOM 1175 CB GLN A 72 107.608 -10.929 3.791 1.00 0.00 C ATOM 1176 CG GLN A 72 106.135 -11.102 4.123 1.00 0.00 C ATOM 1177 CD GLN A 72 105.510 -12.255 3.388 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.008 -12.106 2.283 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.503 -13.391 4.005 1.00 0.00 N ATOM 0 H GLN A 72 109.879 -10.541 3.000 1.00 0.00 H new ATOM 0 HA GLN A 72 107.395 -11.013 1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.106 -11.892 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.054 -10.255 4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.024 -11.256 5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.600 -10.185 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 72 105.933 -13.474 4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.068 -14.205 3.571 1.00 0.00 H new ATOM 1188 N THR A 73 106.163 -8.746 1.874 1.00 0.00 N ATOM 1189 CA THR A 73 105.613 -7.409 1.822 1.00 0.00 C ATOM 1190 C THR A 73 104.941 -7.088 3.152 1.00 0.00 C ATOM 1191 O THR A 73 105.119 -6.016 3.734 1.00 0.00 O ATOM 1192 CB THR A 73 104.651 -7.284 0.642 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.388 -7.571 -0.552 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.063 -5.896 0.557 1.00 0.00 C ATOM 0 H THR A 73 105.529 -9.485 1.571 1.00 0.00 H new ATOM 0 HA THR A 73 106.409 -6.681 1.665 1.00 0.00 H new ATOM 0 HB THR A 73 103.824 -7.982 0.771 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.794 -7.500 -1.328 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.383 -5.840 -0.293 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.516 -5.676 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.865 -5.169 0.429 1.00 0.00 H new ATOM 1202 N ASP A 74 104.254 -8.071 3.674 1.00 0.00 N ATOM 1203 CA ASP A 74 103.623 -8.005 5.000 1.00 0.00 C ATOM 1204 C ASP A 74 104.702 -8.261 6.096 1.00 0.00 C ATOM 1205 O ASP A 74 104.424 -8.728 7.188 1.00 0.00 O ATOM 1206 CB ASP A 74 102.505 -9.068 5.055 1.00 0.00 C ATOM 1207 CG ASP A 74 101.594 -8.963 6.266 1.00 0.00 C ATOM 1208 OD1 ASP A 74 100.751 -8.044 6.307 1.00 0.00 O ATOM 1209 OD2 ASP A 74 101.681 -9.814 7.181 1.00 0.00 O ATOM 0 H ASP A 74 104.105 -8.960 3.196 1.00 0.00 H new ATOM 0 HA ASP A 74 103.188 -7.022 5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 74 101.899 -8.987 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 74 102.961 -10.058 5.044 1.00 0.00 H new ATOM 1214 N ALA A 75 105.927 -7.885 5.777 1.00 0.00 N ATOM 1215 CA ALA A 75 107.089 -8.062 6.623 1.00 0.00 C ATOM 1216 C ALA A 75 107.125 -6.992 7.704 1.00 0.00 C ATOM 1217 O ALA A 75 106.402 -5.994 7.610 1.00 0.00 O ATOM 1218 CB ALA A 75 108.342 -7.946 5.771 1.00 0.00 C ATOM 0 H ALA A 75 106.146 -7.432 4.890 1.00 0.00 H new ATOM 0 HA ALA A 75 107.039 -9.043 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.223 -8.078 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.329 -8.715 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.374 -6.962 5.303 1.00 0.00 H new ATOM 1224 N PRO A 76 107.953 -7.180 8.760 1.00 0.00 N ATOM 1225 CA PRO A 76 108.134 -6.175 9.817 1.00 0.00 C ATOM 1226 C PRO A 76 108.755 -4.867 9.293 1.00 0.00 C ATOM 1227 O PRO A 76 108.657 -3.821 9.945 1.00 0.00 O ATOM 1228 CB PRO A 76 109.088 -6.852 10.812 1.00 0.00 C ATOM 1229 CG PRO A 76 109.736 -7.948 10.047 1.00 0.00 C ATOM 1230 CD PRO A 76 108.715 -8.415 9.064 1.00 0.00 C ATOM 0 HA PRO A 76 107.179 -5.883 10.253 1.00 0.00 H new ATOM 0 HB2 PRO A 76 109.827 -6.146 11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.546 -7.241 11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 76 110.634 -7.594 9.540 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.042 -8.759 10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.178 -8.834 8.170 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.075 -9.190 9.485 1.00 0.00 H new ATOM 1238 N LYS A 77 109.389 -4.928 8.124 1.00 0.00 N ATOM 1239 CA LYS A 77 109.979 -3.736 7.519 1.00 0.00 C ATOM 1240 C LYS A 77 109.947 -3.800 5.998 1.00 0.00 C ATOM 1241 O LYS A 77 109.780 -2.782 5.355 1.00 0.00 O ATOM 1242 CB LYS A 77 111.420 -3.478 8.000 1.00 0.00 C ATOM 1243 CG LYS A 77 112.390 -4.618 7.742 1.00 0.00 C ATOM 1244 CD LYS A 77 113.854 -4.213 7.928 1.00 0.00 C ATOM 1245 CE LYS A 77 114.388 -3.315 6.785 1.00 0.00 C ATOM 1246 NZ LYS A 77 113.891 -1.912 6.809 1.00 0.00 N ATOM 0 H LYS A 77 109.507 -5.783 7.580 1.00 0.00 H new ATOM 0 HA LYS A 77 109.361 -2.901 7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 77 111.797 -2.581 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 77 111.400 -3.272 9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.159 -5.443 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 77 112.247 -4.986 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 77 113.961 -3.686 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 77 114.468 -5.112 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 77 115.477 -3.301 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 77 114.116 -3.766 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 113.407 -1.700 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 113.225 -1.793 7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 114.693 -1.262 6.931 1.00 0.00 H new ATOM 1260 N GLU A 78 110.167 -5.005 5.457 1.00 0.00 N ATOM 1261 CA GLU A 78 110.169 -5.321 4.010 1.00 0.00 C ATOM 1262 C GLU A 78 111.295 -4.600 3.243 1.00 0.00 C ATOM 1263 O GLU A 78 112.097 -3.851 3.830 1.00 0.00 O ATOM 1264 CB GLU A 78 108.789 -5.115 3.311 1.00 0.00 C ATOM 1265 CG GLU A 78 108.442 -3.700 2.877 1.00 0.00 C ATOM 1266 CD GLU A 78 107.110 -3.630 2.197 1.00 0.00 C ATOM 1267 OE1 GLU A 78 106.953 -4.227 1.118 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.176 -2.980 2.745 1.00 0.00 O ATOM 0 H GLU A 78 110.357 -5.825 6.033 1.00 0.00 H new ATOM 0 HA GLU A 78 110.373 -6.391 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 78 108.755 -5.758 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.010 -5.462 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 78 108.439 -3.045 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 78 109.213 -3.329 2.202 1.00 0.00 H new ATOM 1275 N VAL A 79 111.378 -4.872 1.957 1.00 0.00 N ATOM 1276 CA VAL A 79 112.345 -4.265 1.064 1.00 0.00 C ATOM 1277 C VAL A 79 111.591 -3.746 -0.151 1.00 0.00 C ATOM 1278 O VAL A 79 110.674 -4.413 -0.640 1.00 0.00 O ATOM 1279 CB VAL A 79 113.397 -5.318 0.563 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.479 -4.686 -0.281 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.026 -6.062 1.701 1.00 0.00 C ATOM 0 H VAL A 79 110.760 -5.537 1.492 1.00 0.00 H new ATOM 0 HA VAL A 79 112.868 -3.471 1.597 1.00 0.00 H new ATOM 0 HB VAL A 79 112.842 -6.023 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.183 -5.453 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.030 -4.214 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.006 -3.934 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.747 -6.780 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.535 -5.358 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.254 -6.590 2.261 1.00 0.00 H new ATOM 1291 N ASN A 80 112.001 -2.601 -0.670 1.00 0.00 N ATOM 1292 CA ASN A 80 111.390 -1.997 -1.881 1.00 0.00 C ATOM 1293 C ASN A 80 112.026 -2.606 -3.128 1.00 0.00 C ATOM 1294 O ASN A 80 112.215 -1.943 -4.163 1.00 0.00 O ATOM 1295 CB ASN A 80 111.592 -0.478 -1.884 1.00 0.00 C ATOM 1296 CG ASN A 80 110.864 0.223 -0.761 1.00 0.00 C ATOM 1297 OD1 ASN A 80 109.707 0.614 -0.906 1.00 0.00 O ATOM 1298 ND2 ASN A 80 111.518 0.388 0.359 1.00 0.00 N ATOM 0 H ASN A 80 112.765 -2.051 -0.277 1.00 0.00 H new ATOM 0 HA ASN A 80 110.320 -2.204 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 80 112.657 -0.260 -1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 80 111.250 -0.075 -2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 80 111.069 0.854 1.148 1.00 0.00 H new ATOM 0 HD22 ASN A 80 112.477 0.051 0.444 1.00 0.00 H new ATOM 1305 N LEU A 81 112.272 -3.883 -3.020 1.00 0.00 N ATOM 1306 CA LEU A 81 112.938 -4.700 -3.996 1.00 0.00 C ATOM 1307 C LEU A 81 112.109 -4.829 -5.257 1.00 0.00 C ATOM 1308 O LEU A 81 110.870 -4.802 -5.202 1.00 0.00 O ATOM 1309 CB LEU A 81 113.139 -6.085 -3.371 1.00 0.00 C ATOM 1310 CG LEU A 81 113.851 -7.155 -4.175 1.00 0.00 C ATOM 1311 CD1 LEU A 81 115.324 -6.861 -4.202 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.581 -8.531 -3.580 1.00 0.00 C ATOM 0 H LEU A 81 111.994 -4.414 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 81 113.890 -4.246 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.691 -5.950 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.156 -6.472 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 81 113.473 -7.153 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.838 -7.629 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.492 -5.887 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.712 -6.853 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 81 114.098 -9.289 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.942 -8.560 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.509 -8.730 -3.594 1.00 0.00 H new ATOM 1324 N ASP A 82 112.804 -4.916 -6.377 1.00 0.00 N ATOM 1325 CA ASP A 82 112.218 -5.179 -7.697 1.00 0.00 C ATOM 1326 C ASP A 82 111.178 -6.290 -7.617 1.00 0.00 C ATOM 1327 O ASP A 82 111.460 -7.385 -7.089 1.00 0.00 O ATOM 1328 CB ASP A 82 113.327 -5.572 -8.673 1.00 0.00 C ATOM 1329 CG ASP A 82 112.811 -6.099 -9.986 1.00 0.00 C ATOM 1330 OD1 ASP A 82 112.434 -5.300 -10.857 1.00 0.00 O ATOM 1331 OD2 ASP A 82 112.791 -7.333 -10.165 1.00 0.00 O ATOM 0 H ASP A 82 113.818 -4.804 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 82 111.722 -4.274 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.959 -4.704 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.957 -6.330 -8.208 1.00 0.00 H new ATOM 1336 N PHE A 83 109.987 -6.003 -8.133 1.00 0.00 N ATOM 1337 CA PHE A 83 108.845 -6.905 -8.031 1.00 0.00 C ATOM 1338 C PHE A 83 109.115 -8.271 -8.661 1.00 0.00 C ATOM 1339 O PHE A 83 108.629 -9.285 -8.172 1.00 0.00 O ATOM 1340 CB PHE A 83 107.553 -6.270 -8.605 1.00 0.00 C ATOM 1341 CG PHE A 83 107.515 -6.087 -10.106 1.00 0.00 C ATOM 1342 CD1 PHE A 83 108.050 -4.961 -10.704 1.00 0.00 C ATOM 1343 CD2 PHE A 83 106.920 -7.048 -10.916 1.00 0.00 C ATOM 1344 CE1 PHE A 83 107.997 -4.797 -12.076 1.00 0.00 C ATOM 1345 CE2 PHE A 83 106.866 -6.890 -12.285 1.00 0.00 C ATOM 1346 CZ PHE A 83 107.407 -5.762 -12.867 1.00 0.00 C ATOM 0 H PHE A 83 109.786 -5.138 -8.634 1.00 0.00 H new ATOM 0 HA PHE A 83 108.688 -7.073 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.706 -6.891 -8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 83 107.411 -5.296 -8.136 1.00 0.00 H new ATOM 0 HD1 PHE A 83 108.514 -4.201 -10.093 1.00 0.00 H new ATOM 0 HD2 PHE A 83 106.493 -7.932 -10.466 1.00 0.00 H new ATOM 0 HE1 PHE A 83 108.418 -3.912 -12.530 1.00 0.00 H new ATOM 0 HE2 PHE A 83 106.402 -7.647 -12.900 1.00 0.00 H new ATOM 0 HZ PHE A 83 107.369 -5.634 -13.939 1.00 0.00 H new ATOM 1356 N HIS A 84 109.920 -8.307 -9.707 1.00 0.00 N ATOM 1357 CA HIS A 84 110.210 -9.562 -10.365 1.00 0.00 C ATOM 1358 C HIS A 84 111.186 -10.367 -9.527 1.00 0.00 C ATOM 1359 O HIS A 84 111.068 -11.577 -9.427 1.00 0.00 O ATOM 1360 CB HIS A 84 110.747 -9.354 -11.796 1.00 0.00 C ATOM 1361 CG HIS A 84 111.054 -10.645 -12.514 1.00 0.00 C ATOM 1362 ND1 HIS A 84 110.091 -11.417 -13.104 1.00 0.00 N ATOM 1363 CD2 HIS A 84 112.217 -11.316 -12.679 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.636 -12.506 -13.591 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.923 -12.470 -13.351 1.00 0.00 N ATOM 0 H HIS A 84 110.378 -7.491 -10.113 1.00 0.00 H new ATOM 0 HA HIS A 84 109.278 -10.119 -10.459 1.00 0.00 H new ATOM 0 HB2 HIS A 84 110.013 -8.791 -12.373 1.00 0.00 H new ATOM 0 HB3 HIS A 84 111.651 -8.747 -11.752 1.00 0.00 H new ATOM 0 HD2 HIS A 84 113.194 -11.000 -12.343 1.00 0.00 H new ATOM 0 HE1 HIS A 84 110.112 -13.299 -14.104 1.00 0.00 H new ATOM 0 HE2 HIS A 84 112.597 -13.187 -13.621 1.00 0.00 H new ATOM 1374 N THR A 85 112.130 -9.686 -8.938 1.00 0.00 N ATOM 1375 CA THR A 85 113.111 -10.305 -8.095 1.00 0.00 C ATOM 1376 C THR A 85 112.448 -10.951 -6.884 1.00 0.00 C ATOM 1377 O THR A 85 112.661 -12.134 -6.627 1.00 0.00 O ATOM 1378 CB THR A 85 114.161 -9.278 -7.663 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.740 -8.698 -8.849 1.00 0.00 O ATOM 1380 CG2 THR A 85 115.254 -9.928 -6.817 1.00 0.00 C ATOM 0 H THR A 85 112.240 -8.676 -9.032 1.00 0.00 H new ATOM 0 HA THR A 85 113.612 -11.090 -8.661 1.00 0.00 H new ATOM 0 HB THR A 85 113.684 -8.510 -7.054 1.00 0.00 H new ATOM 0 HG1 THR A 85 114.064 -8.162 -9.315 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.985 -9.174 -6.525 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.810 -10.367 -5.924 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.748 -10.707 -7.397 1.00 0.00 H new ATOM 1388 N LYS A 86 111.598 -10.190 -6.178 1.00 0.00 N ATOM 1389 CA LYS A 86 110.898 -10.739 -5.018 1.00 0.00 C ATOM 1390 C LYS A 86 109.998 -11.898 -5.449 1.00 0.00 C ATOM 1391 O LYS A 86 109.916 -12.900 -4.760 1.00 0.00 O ATOM 1392 CB LYS A 86 110.109 -9.668 -4.208 1.00 0.00 C ATOM 1393 CG LYS A 86 108.932 -9.021 -4.930 1.00 0.00 C ATOM 1394 CD LYS A 86 108.136 -8.075 -4.021 1.00 0.00 C ATOM 1395 CE LYS A 86 108.925 -6.830 -3.619 1.00 0.00 C ATOM 1396 NZ LYS A 86 108.125 -5.911 -2.768 1.00 0.00 N ATOM 0 H LYS A 86 111.385 -9.215 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 86 111.658 -11.116 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.739 -10.132 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.803 -8.883 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 86 109.299 -8.467 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 86 108.270 -9.799 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 86 107.223 -7.770 -4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.833 -8.613 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.825 -7.130 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 86 109.250 -6.302 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.699 -5.080 -2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.279 -5.604 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 107.836 -6.405 -1.900 1.00 0.00 H new ATOM 1410 N GLU A 87 109.387 -11.764 -6.630 1.00 0.00 N ATOM 1411 CA GLU A 87 108.551 -12.808 -7.222 1.00 0.00 C ATOM 1412 C GLU A 87 109.356 -14.105 -7.374 1.00 0.00 C ATOM 1413 O GLU A 87 108.962 -15.154 -6.863 1.00 0.00 O ATOM 1414 CB GLU A 87 108.039 -12.346 -8.591 1.00 0.00 C ATOM 1415 CG GLU A 87 107.235 -13.379 -9.345 1.00 0.00 C ATOM 1416 CD GLU A 87 105.915 -13.703 -8.702 1.00 0.00 C ATOM 1417 OE1 GLU A 87 105.853 -14.601 -7.861 1.00 0.00 O ATOM 1418 OE2 GLU A 87 104.895 -13.082 -9.052 1.00 0.00 O ATOM 0 H GLU A 87 109.460 -10.924 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 87 107.701 -12.997 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.424 -11.457 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.892 -12.052 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.057 -13.020 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 87 107.822 -14.293 -9.430 1.00 0.00 H new ATOM 1425 N VAL A 88 110.504 -14.010 -8.023 1.00 0.00 N ATOM 1426 CA VAL A 88 111.371 -15.160 -8.223 1.00 0.00 C ATOM 1427 C VAL A 88 111.778 -15.765 -6.880 1.00 0.00 C ATOM 1428 O VAL A 88 111.768 -16.990 -6.715 1.00 0.00 O ATOM 1429 CB VAL A 88 112.614 -14.809 -9.091 1.00 0.00 C ATOM 1430 CG1 VAL A 88 113.567 -15.998 -9.215 1.00 0.00 C ATOM 1431 CG2 VAL A 88 112.159 -14.372 -10.472 1.00 0.00 C ATOM 0 H VAL A 88 110.860 -13.142 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 88 110.805 -15.909 -8.777 1.00 0.00 H new ATOM 0 HB VAL A 88 113.152 -13.998 -8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 88 114.423 -15.716 -9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.912 -16.293 -8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 88 113.047 -16.834 -9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 88 113.029 -14.126 -11.081 1.00 0.00 H new ATOM 0 HG22 VAL A 88 111.603 -15.181 -10.945 1.00 0.00 H new ATOM 0 HG23 VAL A 88 111.518 -13.495 -10.383 1.00 0.00 H new ATOM 1441 N ILE A 89 112.063 -14.910 -5.900 1.00 0.00 N ATOM 1442 CA ILE A 89 112.393 -15.373 -4.557 1.00 0.00 C ATOM 1443 C ILE A 89 111.219 -16.133 -3.966 1.00 0.00 C ATOM 1444 O ILE A 89 111.399 -17.213 -3.471 1.00 0.00 O ATOM 1445 CB ILE A 89 112.793 -14.226 -3.594 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.973 -13.443 -4.161 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.136 -14.777 -2.192 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.359 -12.256 -3.326 1.00 0.00 C ATOM 0 H ILE A 89 112.072 -13.896 -6.012 1.00 0.00 H new ATOM 0 HA ILE A 89 113.261 -16.025 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 89 111.942 -13.553 -3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.831 -14.109 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.725 -13.105 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.413 -13.953 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.268 -15.292 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.969 -15.475 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.204 -11.746 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.515 -11.570 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.638 -12.590 -2.327 1.00 0.00 H new ATOM 1460 N THR A 90 110.006 -15.602 -4.093 1.00 0.00 N ATOM 1461 CA THR A 90 108.829 -16.266 -3.532 1.00 0.00 C ATOM 1462 C THR A 90 108.608 -17.656 -4.167 1.00 0.00 C ATOM 1463 O THR A 90 108.056 -18.559 -3.546 1.00 0.00 O ATOM 1464 CB THR A 90 107.525 -15.398 -3.635 1.00 0.00 C ATOM 1465 OG1 THR A 90 107.137 -15.182 -4.998 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.719 -14.045 -2.987 1.00 0.00 C ATOM 0 H THR A 90 109.811 -14.724 -4.574 1.00 0.00 H new ATOM 0 HA THR A 90 109.038 -16.397 -2.470 1.00 0.00 H new ATOM 0 HB THR A 90 106.745 -15.956 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.905 -15.340 -5.586 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.800 -13.465 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.967 -14.178 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.530 -13.515 -3.486 1.00 0.00 H new ATOM 1474 N ASN A 91 109.109 -17.828 -5.377 1.00 0.00 N ATOM 1475 CA ASN A 91 108.959 -19.076 -6.112 1.00 0.00 C ATOM 1476 C ASN A 91 110.131 -20.027 -5.843 1.00 0.00 C ATOM 1477 O ASN A 91 110.029 -21.231 -6.095 1.00 0.00 O ATOM 1478 CB ASN A 91 108.850 -18.801 -7.625 1.00 0.00 C ATOM 1479 CG ASN A 91 107.650 -17.940 -7.996 1.00 0.00 C ATOM 1480 OD1 ASN A 91 106.593 -18.005 -7.360 1.00 0.00 O ATOM 1481 ND2 ASN A 91 107.799 -17.127 -9.007 1.00 0.00 N ATOM 0 H ASN A 91 109.631 -17.110 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 91 108.042 -19.554 -5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 91 109.761 -18.308 -7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 91 108.785 -19.751 -8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 91 107.029 -16.521 -9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 91 108.685 -17.098 -9.511 1.00 0.00 H new ATOM 1488 N SER A 92 111.231 -19.500 -5.312 1.00 0.00 N ATOM 1489 CA SER A 92 112.429 -20.307 -5.078 1.00 0.00 C ATOM 1490 C SER A 92 112.834 -20.366 -3.591 1.00 0.00 C ATOM 1491 O SER A 92 113.802 -21.030 -3.227 1.00 0.00 O ATOM 1492 CB SER A 92 113.585 -19.783 -5.945 1.00 0.00 C ATOM 1493 OG SER A 92 113.777 -18.385 -5.755 1.00 0.00 O ATOM 0 H SER A 92 111.320 -18.522 -5.036 1.00 0.00 H new ATOM 0 HA SER A 92 112.194 -21.332 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 92 114.502 -20.316 -5.694 1.00 0.00 H new ATOM 0 HB3 SER A 92 113.376 -19.985 -6.996 1.00 0.00 H new ATOM 0 HG SER A 92 112.998 -17.898 -6.096 1.00 0.00 H new ATOM 1499 N ILE A 93 112.075 -19.691 -2.743 1.00 0.00 N ATOM 1500 CA ILE A 93 112.363 -19.621 -1.302 1.00 0.00 C ATOM 1501 C ILE A 93 111.899 -20.909 -0.624 1.00 0.00 C ATOM 1502 O ILE A 93 112.350 -21.270 0.467 1.00 0.00 O ATOM 1503 CB ILE A 93 111.666 -18.373 -0.651 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.160 -18.140 0.781 1.00 0.00 C ATOM 1505 CG2 ILE A 93 110.142 -18.488 -0.684 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.615 -17.730 0.855 1.00 0.00 C ATOM 0 H ILE A 93 111.242 -19.174 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 93 113.439 -19.511 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 93 111.944 -17.507 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.548 -17.368 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.017 -19.053 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.700 -17.604 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.805 -18.565 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.832 -19.377 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.899 -17.582 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.236 -18.512 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.760 -16.801 0.304 1.00 0.00 H new ATOM 1518 N THR A 94 110.988 -21.583 -1.297 1.00 0.00 N ATOM 1519 CA THR A 94 110.474 -22.868 -0.876 1.00 0.00 C ATOM 1520 C THR A 94 111.611 -23.921 -0.827 1.00 0.00 C ATOM 1521 O THR A 94 111.607 -24.824 0.018 1.00 0.00 O ATOM 1522 CB THR A 94 109.319 -23.331 -1.823 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.813 -24.624 -1.445 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.778 -23.355 -3.279 1.00 0.00 C ATOM 0 H THR A 94 110.578 -21.245 -2.168 1.00 0.00 H new ATOM 0 HA THR A 94 110.067 -22.767 0.130 1.00 0.00 H new ATOM 0 HB THR A 94 108.512 -22.605 -1.723 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.092 -24.884 -2.055 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.955 -23.681 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 94 110.094 -22.355 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.614 -24.046 -3.386 1.00 0.00 H new ATOM 1532 N GLN A 95 112.595 -23.760 -1.700 1.00 0.00 N ATOM 1533 CA GLN A 95 113.747 -24.635 -1.774 1.00 0.00 C ATOM 1534 C GLN A 95 114.991 -23.766 -1.911 1.00 0.00 C ATOM 1535 O GLN A 95 115.521 -23.596 -3.011 1.00 0.00 O ATOM 1536 CB GLN A 95 113.652 -25.581 -2.973 1.00 0.00 C ATOM 1537 CG GLN A 95 112.495 -26.559 -2.946 1.00 0.00 C ATOM 1538 CD GLN A 95 112.405 -27.353 -4.228 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.770 -26.870 -5.296 1.00 0.00 O ATOM 1540 NE2 GLN A 95 111.910 -28.558 -4.149 1.00 0.00 N ATOM 0 H GLN A 95 112.612 -23.005 -2.386 1.00 0.00 H new ATOM 0 HA GLN A 95 113.792 -25.245 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.577 -24.982 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.581 -26.147 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 95 112.614 -27.240 -2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 95 111.563 -26.016 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 95 111.616 -28.930 -3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 95 111.817 -29.127 -4.990 1.00 0.00 H new ATOM 1549 N PRO A 96 115.428 -23.148 -0.817 1.00 0.00 N ATOM 1550 CA PRO A 96 116.547 -22.217 -0.836 1.00 0.00 C ATOM 1551 C PRO A 96 117.905 -22.894 -0.998 1.00 0.00 C ATOM 1552 O PRO A 96 118.063 -24.101 -0.772 1.00 0.00 O ATOM 1553 CB PRO A 96 116.455 -21.533 0.525 1.00 0.00 C ATOM 1554 CG PRO A 96 115.843 -22.556 1.402 1.00 0.00 C ATOM 1555 CD PRO A 96 114.866 -23.292 0.536 1.00 0.00 C ATOM 0 HA PRO A 96 116.482 -21.540 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.438 -21.233 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.844 -20.631 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.598 -23.232 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.343 -22.095 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 96 114.782 -24.339 0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.867 -22.862 0.603 1.00 0.00 H new ATOM 1563 N THR A 97 118.852 -22.108 -1.386 1.00 0.00 N ATOM 1564 CA THR A 97 120.225 -22.480 -1.560 1.00 0.00 C ATOM 1565 C THR A 97 121.063 -21.301 -1.089 1.00 0.00 C ATOM 1566 O THR A 97 120.494 -20.320 -0.631 1.00 0.00 O ATOM 1567 CB THR A 97 120.532 -22.820 -3.037 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.850 -21.899 -3.913 1.00 0.00 O ATOM 1569 CG2 THR A 97 120.154 -24.256 -3.372 1.00 0.00 C ATOM 0 H THR A 97 118.682 -21.126 -1.605 1.00 0.00 H new ATOM 0 HA THR A 97 120.455 -23.376 -0.984 1.00 0.00 H new ATOM 0 HB THR A 97 121.607 -22.721 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 97 120.053 -22.123 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.384 -24.458 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 97 120.719 -24.939 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.087 -24.401 -3.201 1.00 0.00 H new ATOM 1577 N LEU A 98 122.374 -21.358 -1.245 1.00 0.00 N ATOM 1578 CA LEU A 98 123.278 -20.306 -0.726 1.00 0.00 C ATOM 1579 C LEU A 98 123.035 -18.921 -1.357 1.00 0.00 C ATOM 1580 O LEU A 98 123.492 -17.909 -0.840 1.00 0.00 O ATOM 1581 CB LEU A 98 124.776 -20.683 -0.895 1.00 0.00 C ATOM 1582 CG LEU A 98 125.333 -21.879 -0.085 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.081 -21.722 1.397 1.00 0.00 C ATOM 1584 CD2 LEU A 98 124.808 -23.206 -0.588 1.00 0.00 C ATOM 0 H LEU A 98 122.853 -22.119 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 98 123.039 -20.240 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.949 -20.889 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.370 -19.805 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 98 126.412 -21.878 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.488 -22.583 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 98 125.565 -20.813 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.008 -21.657 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 98 125.227 -24.014 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 98 123.721 -23.221 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 98 125.097 -23.340 -1.630 1.00 0.00 H new ATOM 1596 N HIS A 99 122.349 -18.871 -2.478 1.00 0.00 N ATOM 1597 CA HIS A 99 122.095 -17.601 -3.146 1.00 0.00 C ATOM 1598 C HIS A 99 120.630 -17.410 -3.530 1.00 0.00 C ATOM 1599 O HIS A 99 120.323 -16.956 -4.625 1.00 0.00 O ATOM 1600 CB HIS A 99 123.028 -17.391 -4.361 1.00 0.00 C ATOM 1601 CG HIS A 99 124.424 -16.978 -3.989 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.878 -15.680 -4.087 1.00 0.00 N ATOM 1603 CD2 HIS A 99 125.447 -17.681 -3.482 1.00 0.00 C ATOM 1604 CE1 HIS A 99 126.103 -15.610 -3.637 1.00 0.00 C ATOM 1605 NE2 HIS A 99 126.474 -16.809 -3.272 1.00 0.00 N ATOM 0 H HIS A 99 121.957 -19.687 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 99 122.325 -16.828 -2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 99 123.074 -18.316 -4.936 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.596 -16.631 -5.012 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.340 -14.895 -4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 99 125.456 -18.741 -3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.705 -14.715 -3.577 1.00 0.00 H new ATOM 1614 N SER A 100 119.732 -17.685 -2.607 1.00 0.00 N ATOM 1615 CA SER A 100 118.298 -17.481 -2.842 1.00 0.00 C ATOM 1616 C SER A 100 117.902 -15.989 -2.873 1.00 0.00 C ATOM 1617 O SER A 100 116.757 -15.644 -3.162 1.00 0.00 O ATOM 1618 CB SER A 100 117.493 -18.239 -1.800 1.00 0.00 C ATOM 1619 OG SER A 100 117.786 -19.612 -1.902 1.00 0.00 O ATOM 0 H SER A 100 119.959 -18.051 -1.683 1.00 0.00 H new ATOM 0 HA SER A 100 118.069 -17.875 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.734 -17.876 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.427 -18.070 -1.952 1.00 0.00 H new ATOM 0 HG SER A 100 117.548 -19.932 -2.797 1.00 0.00 H new ATOM 1625 N PHE A 101 118.849 -15.124 -2.582 1.00 0.00 N ATOM 1626 CA PHE A 101 118.621 -13.686 -2.595 1.00 0.00 C ATOM 1627 C PHE A 101 119.654 -13.044 -3.508 1.00 0.00 C ATOM 1628 O PHE A 101 119.906 -11.846 -3.441 1.00 0.00 O ATOM 1629 CB PHE A 101 118.783 -13.115 -1.182 1.00 0.00 C ATOM 1630 CG PHE A 101 117.936 -13.777 -0.136 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.604 -13.441 0.017 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.479 -14.744 0.693 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.832 -14.056 0.979 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.711 -15.358 1.651 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.387 -15.014 1.793 1.00 0.00 C ATOM 0 H PHE A 101 119.800 -15.392 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 101 117.611 -13.479 -2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.829 -13.199 -0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.543 -12.052 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.164 -12.690 -0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.518 -15.018 0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.793 -13.785 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.146 -16.110 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.782 -15.498 2.546 1.00 0.00 H new ATOM 1645 N ASP A 102 120.197 -13.846 -4.410 1.00 0.00 N ATOM 1646 CA ASP A 102 121.316 -13.432 -5.261 1.00 0.00 C ATOM 1647 C ASP A 102 120.960 -12.269 -6.156 1.00 0.00 C ATOM 1648 O ASP A 102 121.732 -11.307 -6.277 1.00 0.00 O ATOM 1649 CB ASP A 102 121.817 -14.579 -6.116 1.00 0.00 C ATOM 1650 CG ASP A 102 123.072 -14.212 -6.854 1.00 0.00 C ATOM 1651 OD1 ASP A 102 124.147 -14.307 -6.257 1.00 0.00 O ATOM 1652 OD2 ASP A 102 123.008 -13.818 -8.032 1.00 0.00 O ATOM 0 H ASP A 102 119.880 -14.801 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 102 122.106 -13.114 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.006 -15.448 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.045 -14.865 -6.830 1.00 0.00 H new ATOM 1657 N ALA A 103 119.795 -12.339 -6.760 1.00 0.00 N ATOM 1658 CA ALA A 103 119.341 -11.292 -7.660 1.00 0.00 C ATOM 1659 C ALA A 103 118.977 -10.054 -6.872 1.00 0.00 C ATOM 1660 O ALA A 103 119.163 -8.919 -7.325 1.00 0.00 O ATOM 1661 CB ALA A 103 118.142 -11.766 -8.466 1.00 0.00 C ATOM 0 H ALA A 103 119.139 -13.112 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 103 120.150 -11.051 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.815 -10.970 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.421 -12.641 -9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 103 117.329 -12.028 -7.789 1.00 0.00 H new ATOM 1667 N ALA A 104 118.530 -10.276 -5.662 1.00 0.00 N ATOM 1668 CA ALA A 104 118.052 -9.218 -4.822 1.00 0.00 C ATOM 1669 C ALA A 104 119.186 -8.361 -4.280 1.00 0.00 C ATOM 1670 O ALA A 104 118.990 -7.171 -4.037 1.00 0.00 O ATOM 1671 CB ALA A 104 117.160 -9.768 -3.737 1.00 0.00 C ATOM 0 H ALA A 104 118.489 -11.201 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 104 117.446 -8.547 -5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.806 -8.951 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 104 116.307 -10.274 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.722 -10.477 -3.129 1.00 0.00 H new ATOM 1677 N GLN A 105 120.379 -8.949 -4.149 1.00 0.00 N ATOM 1678 CA GLN A 105 121.573 -8.203 -3.711 1.00 0.00 C ATOM 1679 C GLN A 105 121.799 -7.031 -4.660 1.00 0.00 C ATOM 1680 O GLN A 105 122.026 -5.893 -4.242 1.00 0.00 O ATOM 1681 CB GLN A 105 122.832 -9.066 -3.780 1.00 0.00 C ATOM 1682 CG GLN A 105 122.782 -10.396 -3.070 1.00 0.00 C ATOM 1683 CD GLN A 105 124.083 -11.148 -3.253 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.998 -11.063 -2.434 1.00 0.00 O ATOM 1685 NE2 GLN A 105 124.207 -11.820 -4.367 1.00 0.00 N ATOM 0 H GLN A 105 120.548 -9.937 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 105 121.400 -7.881 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 105 123.062 -9.249 -4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 105 123.661 -8.491 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 105 122.592 -10.240 -2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 105 121.955 -10.990 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 105 123.427 -11.869 -5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.084 -12.296 -4.581 1.00 0.00 H new ATOM 1694 N SER A 106 121.718 -7.332 -5.943 1.00 0.00 N ATOM 1695 CA SER A 106 121.938 -6.373 -6.997 1.00 0.00 C ATOM 1696 C SER A 106 120.793 -5.351 -7.041 1.00 0.00 C ATOM 1697 O SER A 106 121.010 -4.160 -7.260 1.00 0.00 O ATOM 1698 CB SER A 106 122.026 -7.138 -8.311 1.00 0.00 C ATOM 1699 OG SER A 106 122.902 -8.257 -8.163 1.00 0.00 O ATOM 0 H SER A 106 121.493 -8.267 -6.282 1.00 0.00 H new ATOM 0 HA SER A 106 122.862 -5.822 -6.821 1.00 0.00 H new ATOM 0 HB2 SER A 106 121.035 -7.478 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 106 122.391 -6.481 -9.101 1.00 0.00 H new ATOM 0 HG SER A 106 122.954 -8.746 -9.010 1.00 0.00 H new ATOM 1705 N ARG A 107 119.586 -5.821 -6.774 1.00 0.00 N ATOM 1706 CA ARG A 107 118.404 -4.976 -6.807 1.00 0.00 C ATOM 1707 C ARG A 107 118.412 -3.944 -5.698 1.00 0.00 C ATOM 1708 O ARG A 107 117.999 -2.809 -5.894 1.00 0.00 O ATOM 1709 CB ARG A 107 117.138 -5.813 -6.783 1.00 0.00 C ATOM 1710 CG ARG A 107 116.984 -6.705 -7.989 1.00 0.00 C ATOM 1711 CD ARG A 107 116.954 -5.890 -9.267 1.00 0.00 C ATOM 1712 NE ARG A 107 117.062 -6.713 -10.478 1.00 0.00 N ATOM 1713 CZ ARG A 107 117.380 -6.218 -11.687 1.00 0.00 C ATOM 1714 NH1 ARG A 107 117.474 -4.903 -11.860 1.00 0.00 N ATOM 1715 NH2 ARG A 107 117.590 -7.033 -12.712 1.00 0.00 N ATOM 0 H ARG A 107 119.398 -6.793 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 107 118.423 -4.425 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.136 -6.428 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.275 -5.150 -6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.808 -7.417 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 107 116.065 -7.285 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 107 116.026 -5.319 -9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.772 -5.169 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 107 116.886 -7.715 -10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 107 117.305 -4.272 -11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 107 117.715 -4.525 -12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 107 117.511 -8.042 -12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 107 117.831 -6.651 -13.626 1.00 0.00 H new ATOM 1729 N VAL A 108 118.895 -4.319 -4.556 1.00 0.00 N ATOM 1730 CA VAL A 108 118.995 -3.394 -3.453 1.00 0.00 C ATOM 1731 C VAL A 108 120.187 -2.457 -3.653 1.00 0.00 C ATOM 1732 O VAL A 108 120.130 -1.263 -3.333 1.00 0.00 O ATOM 1733 CB VAL A 108 119.069 -4.145 -2.123 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.262 -3.194 -0.975 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.787 -4.920 -1.938 1.00 0.00 C ATOM 0 H VAL A 108 119.230 -5.261 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 108 118.096 -2.778 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 108 119.923 -4.822 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.311 -3.755 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.190 -2.639 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.425 -2.497 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.823 -5.462 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 108 116.943 -4.230 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.668 -5.628 -2.758 1.00 0.00 H new ATOM 1745 N TYR A 109 121.238 -2.997 -4.229 1.00 0.00 N ATOM 1746 CA TYR A 109 122.415 -2.232 -4.586 1.00 0.00 C ATOM 1747 C TYR A 109 122.052 -1.086 -5.551 1.00 0.00 C ATOM 1748 O TYR A 109 122.487 0.050 -5.367 1.00 0.00 O ATOM 1749 CB TYR A 109 123.507 -3.198 -5.124 1.00 0.00 C ATOM 1750 CG TYR A 109 124.380 -2.708 -6.266 1.00 0.00 C ATOM 1751 CD1 TYR A 109 123.936 -2.776 -7.584 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.642 -2.207 -6.033 1.00 0.00 C ATOM 1753 CE1 TYR A 109 124.723 -2.351 -8.622 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.442 -1.776 -7.066 1.00 0.00 C ATOM 1755 CZ TYR A 109 125.976 -1.850 -8.363 1.00 0.00 C ATOM 1756 OH TYR A 109 126.767 -1.427 -9.414 1.00 0.00 O ATOM 0 H TYR A 109 121.302 -3.987 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 109 122.833 -1.740 -3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.160 -3.463 -4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.014 -4.115 -5.448 1.00 0.00 H new ATOM 0 HD1 TYR A 109 122.953 -3.171 -7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.011 -2.151 -5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.361 -2.409 -9.638 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.427 -1.383 -6.863 1.00 0.00 H new ATOM 0 HH TYR A 109 127.359 -0.708 -9.109 1.00 0.00 H new ATOM 1766 N GLN A 110 121.208 -1.369 -6.536 1.00 0.00 N ATOM 1767 CA GLN A 110 120.778 -0.331 -7.456 1.00 0.00 C ATOM 1768 C GLN A 110 119.835 0.673 -6.795 1.00 0.00 C ATOM 1769 O GLN A 110 119.839 1.845 -7.164 1.00 0.00 O ATOM 1770 CB GLN A 110 120.205 -0.882 -8.769 1.00 0.00 C ATOM 1771 CG GLN A 110 119.081 -1.888 -8.622 1.00 0.00 C ATOM 1772 CD GLN A 110 118.512 -2.351 -9.955 1.00 0.00 C ATOM 1773 OE1 GLN A 110 117.337 -2.700 -10.060 1.00 0.00 O ATOM 1774 NE2 GLN A 110 119.325 -2.366 -10.980 1.00 0.00 N ATOM 0 H GLN A 110 120.815 -2.293 -6.714 1.00 0.00 H new ATOM 0 HA GLN A 110 121.683 0.212 -7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 110 119.844 -0.045 -9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.015 -1.348 -9.331 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.447 -2.754 -8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.282 -1.446 -8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 110 120.295 -2.072 -10.866 1.00 0.00 H new ATOM 0 HE22 GLN A 110 118.989 -2.672 -11.893 1.00 0.00 H new ATOM 1783 N LEU A 111 119.039 0.213 -5.810 1.00 0.00 N ATOM 1784 CA LEU A 111 118.161 1.113 -5.034 1.00 0.00 C ATOM 1785 C LEU A 111 119.004 2.166 -4.335 1.00 0.00 C ATOM 1786 O LEU A 111 118.675 3.357 -4.331 1.00 0.00 O ATOM 1787 CB LEU A 111 117.366 0.342 -3.962 1.00 0.00 C ATOM 1788 CG LEU A 111 116.371 -0.712 -4.441 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.780 -1.450 -3.249 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.267 -0.072 -5.271 1.00 0.00 C ATOM 0 H LEU A 111 118.985 -0.767 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 111 117.461 1.573 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.081 -0.147 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 111 116.821 1.069 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 111 116.899 -1.427 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.071 -2.200 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.579 -1.939 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.266 -0.741 -2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.569 -0.841 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 111 114.737 0.663 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.704 0.420 -6.140 1.00 0.00 H new ATOM 1802 N MET A 112 120.103 1.714 -3.758 1.00 0.00 N ATOM 1803 CA MET A 112 121.025 2.590 -3.056 1.00 0.00 C ATOM 1804 C MET A 112 121.745 3.530 -3.991 1.00 0.00 C ATOM 1805 O MET A 112 121.908 4.697 -3.679 1.00 0.00 O ATOM 1806 CB MET A 112 122.035 1.799 -2.236 1.00 0.00 C ATOM 1807 CG MET A 112 121.479 1.205 -0.964 1.00 0.00 C ATOM 1808 SD MET A 112 122.700 0.226 -0.075 1.00 0.00 S ATOM 1809 CE MET A 112 122.869 -1.153 -1.170 1.00 0.00 C ATOM 0 H MET A 112 120.381 0.733 -3.762 1.00 0.00 H new ATOM 0 HA MET A 112 120.418 3.190 -2.378 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.435 0.995 -2.853 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.870 2.452 -1.983 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.120 2.006 -0.318 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.619 0.579 -1.204 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.788 -2.080 -0.603 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.082 -1.118 -1.923 1.00 0.00 H new ATOM 0 HE3 MET A 112 123.842 -1.112 -1.660 1.00 0.00 H new ATOM 1819 N GLU A 113 122.159 3.030 -5.145 1.00 0.00 N ATOM 1820 CA GLU A 113 122.901 3.837 -6.107 1.00 0.00 C ATOM 1821 C GLU A 113 122.103 5.083 -6.524 1.00 0.00 C ATOM 1822 O GLU A 113 122.521 6.218 -6.267 1.00 0.00 O ATOM 1823 CB GLU A 113 123.271 3.013 -7.346 1.00 0.00 C ATOM 1824 CG GLU A 113 124.147 3.774 -8.342 1.00 0.00 C ATOM 1825 CD GLU A 113 124.476 2.981 -9.579 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.636 2.916 -10.495 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.587 2.426 -9.683 1.00 0.00 O ATOM 0 H GLU A 113 121.994 2.068 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 113 123.818 4.164 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.793 2.110 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.357 2.694 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 113 123.638 4.693 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.075 4.066 -7.849 1.00 0.00 H new ATOM 1834 N GLN A 114 120.934 4.855 -7.079 1.00 0.00 N ATOM 1835 CA GLN A 114 120.099 5.919 -7.644 1.00 0.00 C ATOM 1836 C GLN A 114 119.576 6.939 -6.618 1.00 0.00 C ATOM 1837 O GLN A 114 119.102 8.004 -7.007 1.00 0.00 O ATOM 1838 CB GLN A 114 118.955 5.314 -8.456 1.00 0.00 C ATOM 1839 CG GLN A 114 118.097 4.340 -7.673 1.00 0.00 C ATOM 1840 CD GLN A 114 117.129 3.581 -8.550 1.00 0.00 C ATOM 1841 OE1 GLN A 114 115.995 4.004 -8.771 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.569 2.460 -9.050 1.00 0.00 N ATOM 0 H GLN A 114 120.523 3.925 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 114 120.752 6.496 -8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 114 118.323 6.119 -8.832 1.00 0.00 H new ATOM 0 HB3 GLN A 114 119.369 4.802 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 114 118.741 3.632 -7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 114 117.540 4.884 -6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 114 118.517 2.146 -8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.966 1.897 -9.650 1.00 0.00 H new ATOM 1851 N ASP A 115 119.657 6.634 -5.335 1.00 0.00 N ATOM 1852 CA ASP A 115 119.183 7.587 -4.315 1.00 0.00 C ATOM 1853 C ASP A 115 120.311 8.041 -3.413 1.00 0.00 C ATOM 1854 O ASP A 115 120.666 9.215 -3.383 1.00 0.00 O ATOM 1855 CB ASP A 115 118.033 7.004 -3.465 1.00 0.00 C ATOM 1856 CG ASP A 115 117.512 7.985 -2.402 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.834 8.970 -2.768 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.770 7.782 -1.190 1.00 0.00 O ATOM 0 H ASP A 115 120.034 5.760 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 115 118.799 8.451 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.211 6.720 -4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.378 6.094 -2.973 1.00 0.00 H new ATOM 1863 N SER A 116 120.905 7.103 -2.738 1.00 0.00 N ATOM 1864 CA SER A 116 121.906 7.385 -1.753 1.00 0.00 C ATOM 1865 C SER A 116 123.295 7.666 -2.362 1.00 0.00 C ATOM 1866 O SER A 116 124.017 8.490 -1.847 1.00 0.00 O ATOM 1867 CB SER A 116 121.985 6.213 -0.784 1.00 0.00 C ATOM 1868 OG SER A 116 120.703 5.889 -0.273 1.00 0.00 O ATOM 0 H SER A 116 120.706 6.110 -2.857 1.00 0.00 H new ATOM 0 HA SER A 116 121.611 8.297 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.408 5.346 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.656 6.461 0.038 1.00 0.00 H new ATOM 0 HG SER A 116 120.473 6.509 0.450 1.00 0.00 H new ATOM 1874 N TYR A 117 123.655 7.017 -3.475 1.00 0.00 N ATOM 1875 CA TYR A 117 125.019 7.158 -4.021 1.00 0.00 C ATOM 1876 C TYR A 117 125.303 8.566 -4.527 1.00 0.00 C ATOM 1877 O TYR A 117 126.367 9.118 -4.266 1.00 0.00 O ATOM 1878 CB TYR A 117 125.299 6.100 -5.091 1.00 0.00 C ATOM 1879 CG TYR A 117 126.587 6.277 -5.876 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.835 6.225 -5.262 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.542 6.477 -7.245 1.00 0.00 C ATOM 1882 CE1 TYR A 117 128.995 6.375 -6.002 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.691 6.626 -7.985 1.00 0.00 C ATOM 1884 CZ TYR A 117 128.912 6.577 -7.366 1.00 0.00 C ATOM 1885 OH TYR A 117 130.057 6.726 -8.114 1.00 0.00 O ATOM 0 H TYR A 117 123.041 6.402 -4.008 1.00 0.00 H new ATOM 0 HA TYR A 117 125.711 6.986 -3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.320 5.122 -4.611 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.466 6.092 -5.794 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.899 6.066 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.584 6.517 -7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 117 129.959 6.334 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 117 127.631 6.781 -9.052 1.00 0.00 H new ATOM 0 HH TYR A 117 130.840 6.544 -7.553 1.00 0.00 H new ATOM 1895 N THR A 118 124.352 9.144 -5.200 1.00 0.00 N ATOM 1896 CA THR A 118 124.485 10.490 -5.727 1.00 0.00 C ATOM 1897 C THR A 118 124.657 11.508 -4.573 1.00 0.00 C ATOM 1898 O THR A 118 125.596 12.354 -4.555 1.00 0.00 O ATOM 1899 CB THR A 118 123.236 10.821 -6.560 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.079 10.459 -5.802 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.229 10.037 -7.859 1.00 0.00 C ATOM 0 H THR A 118 123.456 8.702 -5.405 1.00 0.00 H new ATOM 0 HA THR A 118 125.371 10.551 -6.360 1.00 0.00 H new ATOM 0 HB THR A 118 123.238 11.886 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.272 10.665 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.336 10.288 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.115 10.289 -8.441 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.231 8.969 -7.640 1.00 0.00 H new ATOM 1909 N ARG A 119 123.797 11.379 -3.589 1.00 0.00 N ATOM 1910 CA ARG A 119 123.834 12.231 -2.428 1.00 0.00 C ATOM 1911 C ARG A 119 125.086 11.950 -1.605 1.00 0.00 C ATOM 1912 O ARG A 119 125.631 12.843 -0.975 1.00 0.00 O ATOM 1913 CB ARG A 119 122.591 12.054 -1.586 1.00 0.00 C ATOM 1914 CG ARG A 119 121.296 12.394 -2.287 1.00 0.00 C ATOM 1915 CD ARG A 119 120.135 12.241 -1.336 1.00 0.00 C ATOM 1916 NE ARG A 119 120.256 13.143 -0.178 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.840 12.856 1.063 1.00 0.00 C ATOM 1918 NH1 ARG A 119 119.449 11.632 1.369 1.00 0.00 N ATOM 1919 NH2 ARG A 119 119.889 13.784 2.014 1.00 0.00 N ATOM 0 H ARG A 119 123.054 10.681 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 119 123.865 13.267 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.543 11.019 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.680 12.677 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.335 13.416 -2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.158 11.742 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 119 119.204 12.448 -1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.082 11.209 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 119 120.689 14.054 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.463 10.900 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.133 11.419 2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 119 120.244 14.716 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 119 119.572 13.564 2.958 1.00 0.00 H new ATOM 1933 N PHE A 120 125.531 10.706 -1.614 1.00 0.00 N ATOM 1934 CA PHE A 120 126.771 10.325 -0.969 1.00 0.00 C ATOM 1935 C PHE A 120 127.938 11.032 -1.636 1.00 0.00 C ATOM 1936 O PHE A 120 128.837 11.492 -0.970 1.00 0.00 O ATOM 1937 CB PHE A 120 126.970 8.796 -0.988 1.00 0.00 C ATOM 1938 CG PHE A 120 128.341 8.336 -0.561 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.711 8.316 0.775 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.260 7.921 -1.511 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.975 7.893 1.146 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.514 7.501 -1.142 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.872 7.485 0.186 1.00 0.00 C ATOM 0 H PHE A 120 125.043 9.934 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 120 126.723 10.632 0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.228 8.338 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.776 8.430 -1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 120 128.008 8.633 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.986 7.928 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.257 7.883 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.220 7.183 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.858 7.152 0.475 1.00 0.00 H new ATOM 1953 N LEU A 121 127.891 11.157 -2.942 1.00 0.00 N ATOM 1954 CA LEU A 121 128.937 11.850 -3.677 1.00 0.00 C ATOM 1955 C LEU A 121 129.032 13.305 -3.272 1.00 0.00 C ATOM 1956 O LEU A 121 130.094 13.917 -3.376 1.00 0.00 O ATOM 1957 CB LEU A 121 128.757 11.695 -5.178 1.00 0.00 C ATOM 1958 CG LEU A 121 128.942 10.277 -5.690 1.00 0.00 C ATOM 1959 CD1 LEU A 121 128.666 10.211 -7.171 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.352 9.796 -5.382 1.00 0.00 C ATOM 0 H LEU A 121 127.139 10.788 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 121 129.885 11.381 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.759 12.039 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.468 12.347 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 121 128.232 9.622 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 121 128.803 9.188 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 121 127.641 10.526 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.354 10.871 -7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.478 8.778 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.074 10.451 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.515 9.813 -4.304 1.00 0.00 H new ATOM 1972 N LYS A 122 127.927 13.863 -2.827 1.00 0.00 N ATOM 1973 CA LYS A 122 127.958 15.205 -2.276 1.00 0.00 C ATOM 1974 C LYS A 122 127.876 15.258 -0.753 1.00 0.00 C ATOM 1975 O LYS A 122 127.796 16.341 -0.177 1.00 0.00 O ATOM 1976 CB LYS A 122 126.952 16.128 -2.933 1.00 0.00 C ATOM 1977 CG LYS A 122 127.434 16.664 -4.258 1.00 0.00 C ATOM 1978 CD LYS A 122 128.731 17.434 -4.053 1.00 0.00 C ATOM 1979 CE LYS A 122 129.232 18.042 -5.330 1.00 0.00 C ATOM 1980 NZ LYS A 122 130.486 18.791 -5.131 1.00 0.00 N ATOM 0 H LYS A 122 127.009 13.419 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 122 128.950 15.582 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.015 15.591 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.739 16.962 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 122 127.592 15.844 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 122 126.677 17.315 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.573 18.220 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 122 129.490 16.764 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 122 129.393 17.255 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.472 18.709 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 130.797 19.194 -6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 130.327 19.558 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 131.220 18.150 -4.768 1.00 0.00 H new ATOM 1994 N SER A 123 127.921 14.113 -0.101 1.00 0.00 N ATOM 1995 CA SER A 123 127.919 14.093 1.344 1.00 0.00 C ATOM 1996 C SER A 123 129.252 14.596 1.839 1.00 0.00 C ATOM 1997 O SER A 123 130.301 14.332 1.213 1.00 0.00 O ATOM 1998 CB SER A 123 127.660 12.687 1.900 1.00 0.00 C ATOM 1999 OG SER A 123 128.733 11.795 1.604 1.00 0.00 O ATOM 0 H SER A 123 127.959 13.195 -0.545 1.00 0.00 H new ATOM 0 HA SER A 123 127.111 14.735 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.521 12.743 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.734 12.294 1.479 1.00 0.00 H new ATOM 0 HG SER A 123 128.622 11.439 0.698 1.00 0.00 H new ATOM 2005 N ASP A 124 129.240 15.295 2.939 1.00 0.00 N ATOM 2006 CA ASP A 124 130.457 15.838 3.492 1.00 0.00 C ATOM 2007 C ASP A 124 131.402 14.719 3.946 1.00 0.00 C ATOM 2008 O ASP A 124 132.600 14.941 4.041 1.00 0.00 O ATOM 2009 CB ASP A 124 130.194 16.823 4.643 1.00 0.00 C ATOM 2010 CG ASP A 124 129.882 16.154 5.958 1.00 0.00 C ATOM 2011 OD1 ASP A 124 128.721 15.762 6.186 1.00 0.00 O ATOM 2012 OD2 ASP A 124 130.805 16.017 6.790 1.00 0.00 O ATOM 0 H ASP A 124 128.398 15.505 3.476 1.00 0.00 H new ATOM 0 HA ASP A 124 130.939 16.401 2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 124 131.068 17.461 4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.362 17.472 4.370 1.00 0.00 H new ATOM 2017 N ILE A 125 130.868 13.507 4.206 1.00 0.00 N ATOM 2018 CA ILE A 125 131.727 12.388 4.594 1.00 0.00 C ATOM 2019 C ILE A 125 132.565 11.954 3.373 1.00 0.00 C ATOM 2020 O ILE A 125 133.792 11.770 3.478 1.00 0.00 O ATOM 2021 CB ILE A 125 130.921 11.176 5.285 1.00 0.00 C ATOM 2022 CG1 ILE A 125 131.846 10.247 6.122 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.129 10.317 4.290 1.00 0.00 C ATOM 2024 CD1 ILE A 125 132.770 9.330 5.330 1.00 0.00 C ATOM 0 H ILE A 125 129.873 13.289 4.154 1.00 0.00 H new ATOM 0 HA ILE A 125 132.407 12.723 5.377 1.00 0.00 H new ATOM 0 HB ILE A 125 130.211 11.673 5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 125 132.458 10.870 6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 125 131.220 9.630 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.612 9.521 4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 125 129.399 10.939 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.813 9.879 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 125 133.366 8.731 6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 125 132.174 8.671 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 125 133.432 9.931 4.706 1.00 0.00 H new ATOM 2036 N TYR A 126 131.933 11.886 2.198 1.00 0.00 N ATOM 2037 CA TYR A 126 132.655 11.527 0.990 1.00 0.00 C ATOM 2038 C TYR A 126 133.511 12.690 0.512 1.00 0.00 C ATOM 2039 O TYR A 126 134.633 12.493 0.058 1.00 0.00 O ATOM 2040 CB TYR A 126 131.726 11.021 -0.124 1.00 0.00 C ATOM 2041 CG TYR A 126 132.448 10.720 -1.429 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.327 9.648 -1.536 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.290 11.541 -2.531 1.00 0.00 C ATOM 2044 CE1 TYR A 126 134.014 9.404 -2.706 1.00 0.00 C ATOM 2045 CE2 TYR A 126 132.974 11.316 -3.692 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.832 10.255 -3.785 1.00 0.00 C ATOM 2047 OH TYR A 126 134.521 10.055 -4.962 1.00 0.00 O ATOM 0 H TYR A 126 130.939 12.073 2.065 1.00 0.00 H new ATOM 0 HA TYR A 126 133.312 10.695 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 126 131.220 10.118 0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.954 11.768 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.474 8.995 -0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.611 12.379 -2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.685 8.561 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 126 132.837 11.976 -4.536 1.00 0.00 H new ATOM 0 HH TYR A 126 135.100 9.269 -4.873 1.00 0.00 H new ATOM 2057 N LEU A 127 133.004 13.902 0.647 1.00 0.00 N ATOM 2058 CA LEU A 127 133.769 15.079 0.270 1.00 0.00 C ATOM 2059 C LEU A 127 134.984 15.260 1.183 1.00 0.00 C ATOM 2060 O LEU A 127 135.988 15.862 0.790 1.00 0.00 O ATOM 2061 CB LEU A 127 132.891 16.342 0.202 1.00 0.00 C ATOM 2062 CG LEU A 127 131.815 16.341 -0.878 1.00 0.00 C ATOM 2063 CD1 LEU A 127 131.029 17.636 -0.843 1.00 0.00 C ATOM 2064 CD2 LEU A 127 132.433 16.131 -2.245 1.00 0.00 C ATOM 0 H LEU A 127 132.072 14.098 1.012 1.00 0.00 H new ATOM 0 HA LEU A 127 134.146 14.919 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.409 16.479 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.539 17.204 0.043 1.00 0.00 H new ATOM 0 HG LEU A 127 131.130 15.516 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 127 130.265 17.619 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 127 130.553 17.747 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.703 18.475 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.649 16.133 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.140 16.934 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.955 15.174 -2.265 1.00 0.00 H new ATOM 2076 N ASP A 128 134.901 14.704 2.385 1.00 0.00 N ATOM 2077 CA ASP A 128 136.037 14.684 3.302 1.00 0.00 C ATOM 2078 C ASP A 128 137.077 13.687 2.821 1.00 0.00 C ATOM 2079 O ASP A 128 138.266 13.932 2.939 1.00 0.00 O ATOM 2080 CB ASP A 128 135.609 14.354 4.735 1.00 0.00 C ATOM 2081 CG ASP A 128 136.784 14.214 5.685 1.00 0.00 C ATOM 2082 OD1 ASP A 128 137.401 15.242 6.068 1.00 0.00 O ATOM 2083 OD2 ASP A 128 137.122 13.077 6.056 1.00 0.00 O ATOM 0 H ASP A 128 134.058 14.260 2.749 1.00 0.00 H new ATOM 0 HA ASP A 128 136.471 15.684 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.945 15.137 5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 128 135.037 13.426 4.733 1.00 0.00 H new ATOM 2088 N LEU A 129 136.617 12.563 2.249 1.00 0.00 N ATOM 2089 CA LEU A 129 137.539 11.564 1.667 1.00 0.00 C ATOM 2090 C LEU A 129 138.219 12.197 0.455 1.00 0.00 C ATOM 2091 O LEU A 129 139.352 11.871 0.111 1.00 0.00 O ATOM 2092 CB LEU A 129 136.787 10.294 1.197 1.00 0.00 C ATOM 2093 CG LEU A 129 135.777 9.676 2.174 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.895 8.691 1.456 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.479 8.971 3.317 1.00 0.00 C ATOM 0 H LEU A 129 135.629 12.322 2.175 1.00 0.00 H new ATOM 0 HA LEU A 129 138.259 11.271 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.260 10.535 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.528 9.534 0.951 1.00 0.00 H new ATOM 0 HG LEU A 129 135.172 10.487 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 129 134.183 8.260 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.354 9.201 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.508 7.898 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.737 8.544 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 129 137.110 8.175 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 129 137.096 9.686 3.862 1.00 0.00 H new ATOM 2107 N MET A 130 137.495 13.107 -0.189 1.00 0.00 N ATOM 2108 CA MET A 130 137.995 13.817 -1.346 1.00 0.00 C ATOM 2109 C MET A 130 139.098 14.766 -0.971 1.00 0.00 C ATOM 2110 O MET A 130 140.242 14.602 -1.435 1.00 0.00 O ATOM 2111 CB MET A 130 136.877 14.583 -2.092 1.00 0.00 C ATOM 2112 CG MET A 130 135.766 13.736 -2.738 1.00 0.00 C ATOM 2113 SD MET A 130 136.347 12.581 -4.012 1.00 0.00 S ATOM 2114 CE MET A 130 137.152 11.320 -3.018 1.00 0.00 C ATOM 0 H MET A 130 136.547 13.368 0.081 1.00 0.00 H new ATOM 0 HA MET A 130 138.393 13.060 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.412 15.274 -1.389 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.341 15.186 -2.872 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.257 13.171 -1.957 1.00 0.00 H new ATOM 0 HG3 MET A 130 135.027 14.404 -3.181 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.233 11.406 -3.127 1.00 0.00 H new ATOM 0 HE2 MET A 130 136.881 11.454 -1.971 1.00 0.00 H new ATOM 0 HE3 MET A 130 136.831 10.333 -3.352 1.00 0.00 H new