USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 ASN : amide:sc= 0.0289 X(o=0.029,f=-0.22) USER MOD Set 1.2: A 102 MET CE :methyl 169:sc= 0 (180deg=-0.0966) USER MOD Set 2.1: A 93 ASN : amide:sc= -0.795 K(o=-1.8,f=-10!) USER MOD Set 2.2: A 95 THR OG1 : rot 170:sc= -1.01 USER MOD Set 3.1: A 51 THR OG1 : rot 90:sc= -0.239 USER MOD Set 3.2: A 97 MET CE :methyl 180:sc= -1.36 (180deg=-1.33) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 49:sc= 0.181 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.345 K(o=-0.35,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 141:sc= -0.136 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= 0.0765 (180deg=0.0172) USER MOD Single : A 38 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-4.6!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 44 THR OG1 : rot -52:sc= 0.807 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.97) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.178 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0219) USER MOD Single : A 58 MET CE :methyl -176:sc= 0 (180deg=-0.00755) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -0.013 (180deg=-0.191) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0707) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0368 (180deg=-0.267) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 78 ASN : amide:sc=-0.00113 X(o=-0.0011,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 164:sc= -0.0165 (180deg=-0.283) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 83:sc= 0.00683 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 106 GLN : amide:sc=-0.00538 X(o=-0.0054,f=-0.24) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -30:sc= -0.593 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 15.972 -2.775 -0.017 1.00 25.00 N ATOM 47 CA SER A 4 15.948 -2.600 1.435 1.00 25.00 C ATOM 48 C SER A 4 16.392 -1.204 1.851 1.00 25.00 C ATOM 49 O SER A 4 17.326 -0.632 1.279 1.00 25.00 O ATOM 50 CB SER A 4 16.806 -3.663 2.128 1.00 25.00 C ATOM 51 OG SER A 4 16.908 -3.427 3.523 1.00 25.00 O ATOM 0 HA SER A 4 14.913 -2.723 1.753 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.373 -4.649 1.956 1.00 25.00 H new ATOM 0 HB3 SER A 4 17.803 -3.671 1.686 1.00 25.00 H new ATOM 0 HG SER A 4 16.016 -3.259 3.893 1.00 25.00 H new ATOM 57 N GLY A 5 15.696 -0.674 2.860 1.00 25.00 N ATOM 58 CA GLY A 5 15.994 0.644 3.391 1.00 25.00 C ATOM 59 C GLY A 5 15.516 0.792 4.821 1.00 25.00 C ATOM 60 O GLY A 5 15.998 0.093 5.716 1.00 25.00 O ATOM 0 H GLY A 5 14.919 -1.146 3.323 1.00 25.00 H new ATOM 0 HA2 GLY A 5 17.069 0.820 3.346 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.520 1.403 2.768 1.00 25.00 H new ATOM 64 N ALA A 6 14.570 1.714 5.031 1.00 25.00 N ATOM 65 CA ALA A 6 13.925 1.901 6.335 1.00 25.00 C ATOM 66 C ALA A 6 12.473 2.342 6.156 1.00 25.00 C ATOM 67 O ALA A 6 12.197 3.289 5.410 1.00 25.00 O ATOM 68 CB ALA A 6 14.675 2.920 7.177 1.00 25.00 C ATOM 0 H ALA A 6 14.232 2.348 4.307 1.00 25.00 H new ATOM 0 HA ALA A 6 13.945 0.944 6.856 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.174 3.038 8.138 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.696 2.576 7.340 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.694 3.878 6.658 1.00 25.00 H new ATOM 74 N ALA A 7 11.547 1.649 6.834 1.00 25.00 N ATOM 75 CA ALA A 7 10.115 1.956 6.729 1.00 25.00 C ATOM 76 C ALA A 7 9.386 1.742 8.060 1.00 25.00 C ATOM 77 O ALA A 7 9.780 0.893 8.863 1.00 25.00 O ATOM 78 CB ALA A 7 9.473 1.106 5.641 1.00 25.00 C ATOM 0 H ALA A 7 11.764 0.873 7.460 1.00 25.00 H new ATOM 0 HA ALA A 7 10.024 3.010 6.467 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.411 1.343 5.573 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.953 1.315 4.685 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.594 0.051 5.885 1.00 25.00 H new ATOM 84 N ILE A 8 8.321 2.525 8.281 1.00 25.00 N ATOM 85 CA ILE A 8 7.472 2.396 9.476 1.00 25.00 C ATOM 86 C ILE A 8 6.128 1.751 9.086 1.00 25.00 C ATOM 87 O ILE A 8 5.569 2.056 8.028 1.00 25.00 O ATOM 88 CB ILE A 8 7.229 3.785 10.166 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.569 4.471 10.512 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.364 3.645 11.433 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.452 5.929 10.917 1.00 25.00 C ATOM 0 H ILE A 8 8.024 3.262 7.641 1.00 25.00 H new ATOM 0 HA ILE A 8 7.989 1.760 10.195 1.00 25.00 H new ATOM 0 HB ILE A 8 6.688 4.409 9.454 1.00 25.00 H new ATOM 0 HG12 ILE A 8 9.044 3.920 11.324 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.231 4.400 9.649 1.00 25.00 H new ATOM 0 HG21 ILE A 8 6.217 4.627 11.883 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.396 3.219 11.168 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.866 2.990 12.146 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.443 6.325 11.141 1.00 25.00 H new ATOM 0 HD12 ILE A 8 8.009 6.499 10.100 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.820 6.011 11.801 1.00 25.00 H new ATOM 103 N PHE A 9 5.627 0.864 9.956 1.00 25.00 N ATOM 104 CA PHE A 9 4.358 0.163 9.732 1.00 25.00 C ATOM 105 C PHE A 9 3.625 -0.022 11.060 1.00 25.00 C ATOM 106 O PHE A 9 4.166 -0.606 12.005 1.00 25.00 O ATOM 107 CB PHE A 9 4.608 -1.198 9.042 1.00 25.00 C ATOM 108 CG PHE A 9 3.371 -1.882 8.503 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.854 -1.537 7.263 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.736 -2.875 9.236 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.731 -2.164 6.765 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.610 -3.507 8.742 1.00 25.00 C ATOM 113 CZ PHE A 9 1.106 -3.150 7.505 1.00 25.00 C ATOM 0 H PHE A 9 6.088 0.614 10.831 1.00 25.00 H new ATOM 0 HA PHE A 9 3.731 0.763 9.072 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.308 -1.048 8.220 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.092 -1.866 9.755 1.00 25.00 H new ATOM 0 HD1 PHE A 9 3.337 -0.767 6.680 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.126 -3.157 10.203 1.00 25.00 H new ATOM 0 HE1 PHE A 9 1.340 -1.885 5.798 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.125 -4.278 9.322 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.225 -3.641 7.118 1.00 25.00 H new ATOM 123 N GLU A 10 2.382 0.494 11.114 1.00 25.00 N ATOM 124 CA GLU A 10 1.514 0.439 12.318 1.00 25.00 C ATOM 125 C GLU A 10 2.181 1.095 13.543 1.00 25.00 C ATOM 126 O GLU A 10 2.113 0.587 14.670 1.00 25.00 O ATOM 127 CB GLU A 10 1.080 -1.007 12.629 1.00 25.00 C ATOM 128 CG GLU A 10 0.191 -1.620 11.558 1.00 25.00 C ATOM 129 CD GLU A 10 -0.229 -3.040 11.885 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.661 -3.906 12.025 1.00 25.00 O ATOM 131 OE2 GLU A 10 -1.448 -3.288 11.996 1.00 25.00 O ATOM 0 H GLU A 10 1.945 0.965 10.322 1.00 25.00 H new ATOM 0 HA GLU A 10 0.619 1.018 12.092 1.00 25.00 H new ATOM 0 HB2 GLU A 10 1.969 -1.626 12.750 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.550 -1.021 13.581 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.698 -1.002 11.433 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.720 -1.613 10.605 1.00 25.00 H new ATOM 138 N LYS A 11 2.831 2.247 13.285 1.00 25.00 N ATOM 139 CA LYS A 11 3.510 3.086 14.313 1.00 25.00 C ATOM 140 C LYS A 11 4.792 2.440 14.866 1.00 25.00 C ATOM 141 O LYS A 11 5.497 3.050 15.679 1.00 25.00 O ATOM 142 CB LYS A 11 2.569 3.470 15.472 1.00 25.00 C ATOM 143 CG LYS A 11 1.419 4.388 15.053 1.00 25.00 C ATOM 144 CD LYS A 11 0.438 4.655 16.190 1.00 25.00 C ATOM 145 CE LYS A 11 -0.762 5.478 15.739 1.00 25.00 C ATOM 146 NZ LYS A 11 -1.826 5.535 16.778 1.00 25.00 N ATOM 0 H LYS A 11 2.905 2.634 12.344 1.00 25.00 H new ATOM 0 HA LYS A 11 3.799 3.997 13.789 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.156 2.561 15.909 1.00 25.00 H new ATOM 0 HB3 LYS A 11 3.150 3.963 16.252 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.826 5.335 14.699 1.00 25.00 H new ATOM 0 HG3 LYS A 11 0.886 3.937 14.216 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.091 3.705 16.598 1.00 25.00 H new ATOM 0 HD3 LYS A 11 0.953 5.179 16.995 1.00 25.00 H new ATOM 0 HE2 LYS A 11 -0.437 6.490 15.498 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -1.172 5.049 14.825 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -2.623 6.105 16.428 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -2.156 4.572 16.990 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -1.444 5.968 17.643 1.00 25.00 H new ATOM 160 N VAL A 12 5.096 1.214 14.417 1.00 25.00 N ATOM 161 CA VAL A 12 6.374 0.567 14.733 1.00 25.00 C ATOM 162 C VAL A 12 7.370 0.891 13.624 1.00 25.00 C ATOM 163 O VAL A 12 7.117 0.599 12.451 1.00 25.00 O ATOM 164 CB VAL A 12 6.248 -0.987 14.888 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.571 -1.636 15.309 1.00 25.00 C ATOM 166 CG2 VAL A 12 5.176 -1.359 15.896 1.00 25.00 C ATOM 0 H VAL A 12 4.474 0.653 13.835 1.00 25.00 H new ATOM 0 HA VAL A 12 6.714 0.953 15.694 1.00 25.00 H new ATOM 0 HB VAL A 12 5.970 -1.366 13.904 1.00 25.00 H new ATOM 0 HG11 VAL A 12 7.434 -2.713 15.404 1.00 25.00 H new ATOM 0 HG12 VAL A 12 8.332 -1.432 14.556 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.889 -1.225 16.267 1.00 25.00 H new ATOM 0 HG21 VAL A 12 5.115 -2.444 15.979 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.427 -0.934 16.868 1.00 25.00 H new ATOM 0 HG23 VAL A 12 4.214 -0.966 15.566 1.00 25.00 H new ATOM 176 N SER A 13 8.495 1.499 14.004 1.00 25.00 N ATOM 177 CA SER A 13 9.547 1.809 13.047 1.00 25.00 C ATOM 178 C SER A 13 10.400 0.579 12.788 1.00 25.00 C ATOM 179 O SER A 13 10.807 -0.116 13.724 1.00 25.00 O ATOM 180 CB SER A 13 10.406 2.987 13.523 1.00 25.00 C ATOM 181 OG SER A 13 11.473 3.253 12.624 1.00 25.00 O ATOM 0 H SER A 13 8.696 1.783 14.963 1.00 25.00 H new ATOM 0 HA SER A 13 9.078 2.108 12.110 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.783 3.876 13.622 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.809 2.768 14.512 1.00 25.00 H new ATOM 0 HG SER A 13 11.999 4.010 12.956 1.00 25.00 H new ATOM 187 N GLY A 14 10.635 0.311 11.509 1.00 25.00 N ATOM 188 CA GLY A 14 11.341 -0.890 11.116 1.00 25.00 C ATOM 189 C GLY A 14 12.128 -0.724 9.842 1.00 25.00 C ATOM 190 O GLY A 14 12.397 0.398 9.401 1.00 25.00 O ATOM 0 H GLY A 14 10.347 0.909 10.734 1.00 25.00 H new ATOM 0 HA2 GLY A 14 12.018 -1.185 11.918 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.624 -1.701 10.990 1.00 25.00 H new ATOM 194 N ILE A 15 12.500 -1.858 9.260 1.00 25.00 N ATOM 195 CA ILE A 15 13.263 -1.891 8.018 1.00 25.00 C ATOM 196 C ILE A 15 12.495 -2.698 6.957 1.00 25.00 C ATOM 197 O ILE A 15 11.946 -3.763 7.253 1.00 25.00 O ATOM 198 CB ILE A 15 14.695 -2.488 8.273 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.556 -1.578 9.202 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.453 -2.805 6.977 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.844 -2.181 9.759 1.00 25.00 C ATOM 0 H ILE A 15 12.281 -2.781 9.636 1.00 25.00 H new ATOM 0 HA ILE A 15 13.392 -0.875 7.644 1.00 25.00 H new ATOM 0 HB ILE A 15 14.526 -3.434 8.787 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.816 -0.676 8.647 1.00 25.00 H new ATOM 0 HG13 ILE A 15 14.935 -1.268 10.043 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.434 -3.214 7.220 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.890 -3.535 6.395 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.575 -1.892 6.394 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.347 -1.447 10.388 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.606 -3.064 10.352 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.500 -2.463 8.935 1.00 25.00 H new ATOM 213 N ILE A 16 12.471 -2.173 5.723 1.00 25.00 N ATOM 214 CA ILE A 16 11.774 -2.822 4.610 1.00 25.00 C ATOM 215 C ILE A 16 12.780 -3.576 3.721 1.00 25.00 C ATOM 216 O ILE A 16 13.890 -3.094 3.487 1.00 25.00 O ATOM 217 CB ILE A 16 10.913 -1.766 3.812 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.511 -2.347 3.511 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.589 -1.268 2.519 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.496 -1.335 2.981 1.00 25.00 C ATOM 0 H ILE A 16 12.929 -1.297 5.473 1.00 25.00 H new ATOM 0 HA ILE A 16 11.076 -3.565 4.996 1.00 25.00 H new ATOM 0 HB ILE A 16 10.819 -0.890 4.453 1.00 25.00 H new ATOM 0 HG12 ILE A 16 9.615 -3.151 2.782 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.115 -2.793 4.423 1.00 25.00 H new ATOM 0 HG21 ILE A 16 10.940 -0.546 2.024 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.539 -0.794 2.765 1.00 25.00 H new ATOM 0 HG23 ILE A 16 11.767 -2.112 1.853 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.544 -1.835 2.800 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.355 -0.542 3.716 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.863 -0.905 2.049 1.00 25.00 H new ATOM 232 N ALA A 17 12.380 -4.762 3.255 1.00 25.00 N ATOM 233 CA ALA A 17 13.216 -5.575 2.366 1.00 25.00 C ATOM 234 C ALA A 17 12.391 -6.165 1.228 1.00 25.00 C ATOM 235 O ALA A 17 11.214 -6.482 1.410 1.00 25.00 O ATOM 236 CB ALA A 17 13.903 -6.689 3.147 1.00 25.00 C ATOM 0 H ALA A 17 11.478 -5.183 3.480 1.00 25.00 H new ATOM 0 HA ALA A 17 13.978 -4.925 1.937 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.519 -7.281 2.470 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.532 -6.254 3.924 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.150 -7.329 3.606 1.00 25.00 H new ATOM 242 N ILE A 18 13.013 -6.300 0.051 1.00 25.00 N ATOM 243 CA ILE A 18 12.357 -6.921 -1.099 1.00 25.00 C ATOM 244 C ILE A 18 12.890 -8.345 -1.321 1.00 25.00 C ATOM 245 O ILE A 18 14.087 -8.615 -1.188 1.00 25.00 O ATOM 246 CB ILE A 18 12.459 -6.049 -2.397 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.568 -4.799 -2.252 1.00 25.00 C ATOM 248 CG2 ILE A 18 12.053 -6.851 -3.639 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.689 -3.770 -3.369 1.00 25.00 C ATOM 0 H ILE A 18 13.967 -5.987 -0.127 1.00 25.00 H new ATOM 0 HA ILE A 18 11.294 -6.988 -0.869 1.00 25.00 H new ATOM 0 HB ILE A 18 13.497 -5.742 -2.525 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.529 -5.121 -2.190 1.00 25.00 H new ATOM 0 HG13 ILE A 18 11.807 -4.312 -1.307 1.00 25.00 H new ATOM 0 HG21 ILE A 18 12.134 -6.219 -4.523 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.712 -7.712 -3.747 1.00 25.00 H new ATOM 0 HG23 ILE A 18 11.024 -7.193 -3.531 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.020 -2.933 -3.167 1.00 25.00 H new ATOM 0 HD12 ILE A 18 12.716 -3.409 -3.421 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.417 -4.230 -4.319 1.00 25.00 H new ATOM 261 N ASN A 19 11.954 -9.227 -1.666 1.00 25.00 N ATOM 262 CA ASN A 19 12.202 -10.661 -1.816 1.00 25.00 C ATOM 263 C ASN A 19 12.118 -11.072 -3.291 1.00 25.00 C ATOM 264 O ASN A 19 11.026 -11.256 -3.825 1.00 25.00 O ATOM 265 CB ASN A 19 11.167 -11.469 -0.998 1.00 25.00 C ATOM 266 CG ASN A 19 11.797 -12.570 -0.159 1.00 25.00 C ATOM 267 OD1 ASN A 19 12.962 -12.930 -0.341 1.00 25.00 O ATOM 268 ND2 ASN A 19 11.021 -13.118 0.769 1.00 25.00 N ATOM 0 H ASN A 19 10.987 -8.962 -1.852 1.00 25.00 H new ATOM 0 HA ASN A 19 13.205 -10.874 -1.445 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.620 -10.790 -0.344 1.00 25.00 H new ATOM 0 HB3 ASN A 19 10.440 -11.911 -1.679 1.00 25.00 H new ATOM 0 HD21 ASN A 19 11.384 -13.864 1.362 1.00 25.00 H new ATOM 0 HD22 ASN A 19 10.062 -12.792 0.889 1.00 25.00 H new ATOM 275 N GLU A 20 13.276 -11.206 -3.941 1.00 25.00 N ATOM 276 CA GLU A 20 13.347 -11.693 -5.323 1.00 25.00 C ATOM 277 C GLU A 20 14.224 -12.952 -5.373 1.00 25.00 C ATOM 278 O GLU A 20 14.907 -13.265 -4.392 1.00 25.00 O ATOM 279 CB GLU A 20 13.884 -10.611 -6.279 1.00 25.00 C ATOM 280 CG GLU A 20 12.942 -9.436 -6.531 1.00 25.00 C ATOM 281 CD GLU A 20 13.373 -8.596 -7.718 1.00 25.00 C ATOM 282 OE1 GLU A 20 13.498 -9.151 -8.827 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.588 -7.378 -7.535 1.00 25.00 O ATOM 0 H GLU A 20 14.183 -10.983 -3.531 1.00 25.00 H new ATOM 0 HA GLU A 20 12.339 -11.941 -5.657 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.820 -10.225 -5.875 1.00 25.00 H new ATOM 0 HB3 GLU A 20 14.119 -11.079 -7.235 1.00 25.00 H new ATOM 0 HG2 GLU A 20 11.933 -9.812 -6.702 1.00 25.00 H new ATOM 0 HG3 GLU A 20 12.901 -8.809 -5.641 1.00 25.00 H new ATOM 290 N ASP A 21 14.197 -13.681 -6.518 1.00 25.00 N ATOM 291 CA ASP A 21 14.854 -15.016 -6.676 1.00 25.00 C ATOM 292 C ASP A 21 14.070 -16.100 -5.906 1.00 25.00 C ATOM 293 O ASP A 21 14.443 -17.278 -5.890 1.00 25.00 O ATOM 294 CB ASP A 21 16.331 -14.993 -6.221 1.00 25.00 C ATOM 295 CG ASP A 21 17.196 -14.055 -7.050 1.00 25.00 C ATOM 296 OD1 ASP A 21 17.131 -14.132 -8.295 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.936 -13.246 -6.451 1.00 25.00 O ATOM 0 H ASP A 21 13.720 -13.364 -7.362 1.00 25.00 H new ATOM 0 HA ASP A 21 14.844 -15.258 -7.739 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.378 -14.691 -5.175 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.739 -16.002 -6.281 1.00 25.00 H new ATOM 302 N VAL A 22 12.976 -15.660 -5.288 1.00 25.00 N ATOM 303 CA VAL A 22 12.068 -16.500 -4.509 1.00 25.00 C ATOM 304 C VAL A 22 10.796 -16.788 -5.314 1.00 25.00 C ATOM 305 O VAL A 22 10.716 -16.448 -6.500 1.00 25.00 O ATOM 306 CB VAL A 22 11.724 -15.845 -3.123 1.00 25.00 C ATOM 307 CG1 VAL A 22 12.966 -15.804 -2.239 1.00 25.00 C ATOM 308 CG2 VAL A 22 11.117 -14.431 -3.258 1.00 25.00 C ATOM 0 H VAL A 22 12.688 -14.682 -5.316 1.00 25.00 H new ATOM 0 HA VAL A 22 12.571 -17.445 -4.302 1.00 25.00 H new ATOM 0 HB VAL A 22 10.962 -16.470 -2.659 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.716 -15.348 -1.281 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.329 -16.818 -2.074 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.742 -15.216 -2.729 1.00 25.00 H new ATOM 0 HG21 VAL A 22 10.901 -14.032 -2.267 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.826 -13.778 -3.766 1.00 25.00 H new ATOM 0 HG23 VAL A 22 10.195 -14.485 -3.837 1.00 25.00 H new ATOM 318 N SER A 23 9.812 -17.420 -4.666 1.00 25.00 N ATOM 319 CA SER A 23 8.488 -17.583 -5.258 1.00 25.00 C ATOM 320 C SER A 23 7.813 -16.203 -5.187 1.00 25.00 C ATOM 321 O SER A 23 8.252 -15.390 -4.368 1.00 25.00 O ATOM 322 CB SER A 23 7.716 -18.643 -4.470 1.00 25.00 C ATOM 323 OG SER A 23 7.408 -18.198 -3.157 1.00 25.00 O ATOM 0 H SER A 23 9.911 -17.824 -3.735 1.00 25.00 H new ATOM 0 HA SER A 23 8.527 -17.922 -6.293 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.794 -18.889 -4.997 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.306 -19.558 -4.416 1.00 25.00 H new ATOM 0 HG SER A 23 6.914 -18.898 -2.682 1.00 25.00 H new ATOM 329 N PRO A 24 6.729 -15.885 -5.966 1.00 25.00 N ATOM 330 CA PRO A 24 6.582 -14.527 -6.545 1.00 25.00 C ATOM 331 C PRO A 24 6.952 -13.410 -5.567 1.00 25.00 C ATOM 332 O PRO A 24 6.478 -13.372 -4.426 1.00 25.00 O ATOM 333 CB PRO A 24 5.092 -14.470 -6.887 1.00 25.00 C ATOM 334 CG PRO A 24 4.727 -15.880 -7.199 1.00 25.00 C ATOM 335 CD PRO A 24 5.559 -16.741 -6.283 1.00 25.00 C ATOM 0 HA PRO A 24 7.248 -14.371 -7.393 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.508 -14.084 -6.052 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.905 -13.814 -7.737 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.663 -16.052 -7.036 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.931 -16.113 -8.244 1.00 25.00 H new ATOM 0 HD2 PRO A 24 5.009 -17.017 -5.383 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.861 -17.669 -6.769 1.00 25.00 H new ATOM 343 N ALA A 25 7.822 -12.506 -6.065 1.00 25.00 N ATOM 344 CA ALA A 25 8.556 -11.535 -5.242 1.00 25.00 C ATOM 345 C ALA A 25 7.664 -10.797 -4.254 1.00 25.00 C ATOM 346 O ALA A 25 6.564 -10.362 -4.598 1.00 25.00 O ATOM 347 CB ALA A 25 9.316 -10.557 -6.133 1.00 25.00 C ATOM 0 H ALA A 25 8.033 -12.433 -7.060 1.00 25.00 H new ATOM 0 HA ALA A 25 9.269 -12.099 -4.641 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.856 -9.843 -5.511 1.00 25.00 H new ATOM 0 HB2 ALA A 25 10.024 -11.106 -6.754 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.612 -10.023 -6.771 1.00 25.00 H new ATOM 353 N GLU A 26 8.156 -10.698 -3.016 1.00 25.00 N ATOM 354 CA GLU A 26 7.382 -10.149 -1.908 1.00 25.00 C ATOM 355 C GLU A 26 8.144 -9.096 -1.116 1.00 25.00 C ATOM 356 O GLU A 26 9.294 -9.294 -0.768 1.00 25.00 O ATOM 357 CB GLU A 26 6.901 -11.266 -0.955 1.00 25.00 C ATOM 358 CG GLU A 26 7.291 -12.686 -1.347 1.00 25.00 C ATOM 359 CD GLU A 26 7.300 -13.643 -0.170 1.00 25.00 C ATOM 360 OE1 GLU A 26 6.259 -13.757 0.511 1.00 25.00 O ATOM 361 OE2 GLU A 26 8.346 -14.286 0.063 1.00 25.00 O ATOM 0 H GLU A 26 9.097 -10.995 -2.758 1.00 25.00 H new ATOM 0 HA GLU A 26 6.519 -9.661 -2.361 1.00 25.00 H new ATOM 0 HB2 GLU A 26 7.295 -11.063 0.041 1.00 25.00 H new ATOM 0 HB3 GLU A 26 5.815 -11.214 -0.884 1.00 25.00 H new ATOM 0 HG2 GLU A 26 6.595 -13.053 -2.102 1.00 25.00 H new ATOM 0 HG3 GLU A 26 8.280 -12.672 -1.805 1.00 25.00 H new ATOM 368 N LEU A 27 7.443 -8.027 -0.724 1.00 25.00 N ATOM 369 CA LEU A 27 8.065 -6.942 0.026 1.00 25.00 C ATOM 370 C LEU A 27 7.816 -7.186 1.509 1.00 25.00 C ATOM 371 O LEU A 27 6.691 -7.065 2.007 1.00 25.00 O ATOM 372 CB LEU A 27 7.509 -5.562 -0.404 1.00 25.00 C ATOM 373 CG LEU A 27 8.054 -4.351 0.381 1.00 25.00 C ATOM 374 CD1 LEU A 27 9.504 -4.060 0.043 1.00 25.00 C ATOM 375 CD2 LEU A 27 7.192 -3.132 0.108 1.00 25.00 C ATOM 0 H LEU A 27 6.450 -7.894 -0.915 1.00 25.00 H new ATOM 0 HA LEU A 27 9.135 -6.927 -0.179 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.728 -5.415 -1.462 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.424 -5.580 -0.303 1.00 25.00 H new ATOM 0 HG LEU A 27 8.014 -4.596 1.442 1.00 25.00 H new ATOM 0 HD11 LEU A 27 9.846 -3.200 0.618 1.00 25.00 H new ATOM 0 HD12 LEU A 27 10.116 -4.928 0.289 1.00 25.00 H new ATOM 0 HD13 LEU A 27 9.593 -3.843 -1.021 1.00 25.00 H new ATOM 0 HD21 LEU A 27 7.581 -2.279 0.665 1.00 25.00 H new ATOM 0 HD22 LEU A 27 7.208 -2.907 -0.958 1.00 25.00 H new ATOM 0 HD23 LEU A 27 6.168 -3.333 0.421 1.00 25.00 H new ATOM 387 N THR A 28 8.898 -7.542 2.188 1.00 25.00 N ATOM 388 CA THR A 28 8.835 -7.984 3.572 1.00 25.00 C ATOM 389 C THR A 28 9.290 -6.869 4.512 1.00 25.00 C ATOM 390 O THR A 28 10.481 -6.548 4.583 1.00 25.00 O ATOM 391 CB THR A 28 9.707 -9.253 3.783 1.00 25.00 C ATOM 392 OG1 THR A 28 9.229 -10.317 2.950 1.00 25.00 O ATOM 393 CG2 THR A 28 9.681 -9.729 5.235 1.00 25.00 C ATOM 0 H THR A 28 9.840 -7.532 1.796 1.00 25.00 H new ATOM 0 HA THR A 28 7.799 -8.233 3.802 1.00 25.00 H new ATOM 0 HB THR A 28 10.731 -8.987 3.521 1.00 25.00 H new ATOM 0 HG1 THR A 28 9.784 -11.113 3.086 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.303 -10.618 5.338 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.064 -8.941 5.883 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.657 -9.968 5.521 1.00 25.00 H new ATOM 401 N TRP A 29 8.322 -6.275 5.220 1.00 25.00 N ATOM 402 CA TRP A 29 8.624 -5.308 6.269 1.00 25.00 C ATOM 403 C TRP A 29 8.917 -6.044 7.571 1.00 25.00 C ATOM 404 O TRP A 29 8.223 -6.996 7.934 1.00 25.00 O ATOM 405 CB TRP A 29 7.467 -4.301 6.476 1.00 25.00 C ATOM 406 CG TRP A 29 7.751 -3.274 7.554 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.383 -2.076 7.397 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.442 -3.379 8.958 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.494 -1.434 8.609 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.922 -2.209 9.578 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.808 -4.347 9.749 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.791 -1.982 10.946 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.679 -4.119 11.106 1.00 25.00 C ATOM 414 CH2 TRP A 29 7.168 -2.945 11.691 1.00 25.00 C ATOM 0 H TRP A 29 7.327 -6.450 5.082 1.00 25.00 H new ATOM 0 HA TRP A 29 9.501 -4.738 5.960 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.271 -3.786 5.536 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.561 -4.848 6.735 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.744 -1.687 6.457 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.933 -0.526 8.760 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.427 -5.255 9.306 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 8.168 -1.078 11.402 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 6.193 -4.859 11.725 1.00 25.00 H new ATOM 0 HH2 TRP A 29 7.051 -2.796 12.754 1.00 25.00 H new ATOM 425 N ARG A 30 9.959 -5.588 8.254 1.00 25.00 N ATOM 426 CA ARG A 30 10.303 -6.099 9.571 1.00 25.00 C ATOM 427 C ARG A 30 10.455 -4.952 10.556 1.00 25.00 C ATOM 428 O ARG A 30 10.654 -3.802 10.155 1.00 25.00 O ATOM 429 CB ARG A 30 11.593 -6.913 9.522 1.00 25.00 C ATOM 430 CG ARG A 30 11.572 -8.068 8.533 1.00 25.00 C ATOM 431 CD ARG A 30 12.884 -8.831 8.549 1.00 25.00 C ATOM 432 NE ARG A 30 13.991 -8.096 7.913 1.00 25.00 N ATOM 433 CZ ARG A 30 15.283 -8.454 7.978 1.00 25.00 C ATOM 434 NH1 ARG A 30 15.663 -9.556 8.628 1.00 25.00 N ATOM 435 NH2 ARG A 30 16.204 -7.704 7.389 1.00 25.00 N ATOM 0 H ARG A 30 10.585 -4.859 7.912 1.00 25.00 H new ATOM 0 HA ARG A 30 9.495 -6.752 9.901 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.418 -6.248 9.267 1.00 25.00 H new ATOM 0 HB3 ARG A 30 11.797 -7.307 10.518 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.753 -8.744 8.777 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.383 -7.687 7.529 1.00 25.00 H new ATOM 0 HD2 ARG A 30 13.152 -9.058 9.581 1.00 25.00 H new ATOM 0 HD3 ARG A 30 12.749 -9.784 8.038 1.00 25.00 H new ATOM 0 HE ARG A 30 13.759 -7.255 7.385 1.00 25.00 H new ATOM 0 HH11 ARG A 30 14.967 -10.143 9.087 1.00 25.00 H new ATOM 0 HH12 ARG A 30 16.650 -9.811 8.666 1.00 25.00 H new ATOM 0 HH21 ARG A 30 15.930 -6.858 6.889 1.00 25.00 H new ATOM 0 HH22 ARG A 30 17.187 -7.973 7.436 1.00 25.00 H new ATOM 449 N SER A 31 10.356 -5.270 11.854 1.00 25.00 N ATOM 450 CA SER A 31 10.586 -4.288 12.916 1.00 25.00 C ATOM 451 C SER A 31 12.085 -3.944 12.979 1.00 25.00 C ATOM 452 O SER A 31 12.886 -4.630 12.334 1.00 25.00 O ATOM 453 CB SER A 31 10.061 -4.841 14.260 1.00 25.00 C ATOM 454 OG SER A 31 10.818 -5.946 14.729 1.00 25.00 O ATOM 0 H SER A 31 10.117 -6.202 12.192 1.00 25.00 H new ATOM 0 HA SER A 31 10.041 -3.368 12.704 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.081 -4.048 15.008 1.00 25.00 H new ATOM 0 HB3 SER A 31 9.020 -5.142 14.143 1.00 25.00 H new ATOM 0 HG SER A 31 10.922 -5.882 15.701 1.00 25.00 H new ATOM 460 N THR A 32 12.477 -2.905 13.732 1.00 25.00 N ATOM 461 CA THR A 32 13.910 -2.515 13.806 1.00 25.00 C ATOM 462 C THR A 32 14.814 -3.672 14.280 1.00 25.00 C ATOM 463 O THR A 32 15.991 -3.738 13.910 1.00 25.00 O ATOM 464 CB THR A 32 14.152 -1.273 14.693 1.00 25.00 C ATOM 465 OG1 THR A 32 13.138 -1.166 15.700 1.00 25.00 O ATOM 466 CG2 THR A 32 14.198 -0.003 13.852 1.00 25.00 C ATOM 0 H THR A 32 11.847 -2.327 14.288 1.00 25.00 H new ATOM 0 HA THR A 32 14.182 -2.258 12.782 1.00 25.00 H new ATOM 0 HB THR A 32 15.118 -1.394 15.183 1.00 25.00 H new ATOM 0 HG1 THR A 32 13.308 -0.375 16.253 1.00 25.00 H new ATOM 0 HG21 THR A 32 14.369 0.857 14.500 1.00 25.00 H new ATOM 0 HG22 THR A 32 15.007 -0.077 13.126 1.00 25.00 H new ATOM 0 HG23 THR A 32 13.250 0.121 13.328 1.00 25.00 H new ATOM 474 N ASP A 33 14.241 -4.585 15.077 1.00 25.00 N ATOM 475 CA ASP A 33 14.915 -5.832 15.458 1.00 25.00 C ATOM 476 C ASP A 33 14.409 -6.994 14.580 1.00 25.00 C ATOM 477 O ASP A 33 15.144 -7.949 14.313 1.00 25.00 O ATOM 478 CB ASP A 33 14.675 -6.125 16.950 1.00 25.00 C ATOM 479 CG ASP A 33 15.189 -5.026 17.869 1.00 25.00 C ATOM 480 OD1 ASP A 33 16.385 -4.680 17.772 1.00 25.00 O ATOM 481 OD2 ASP A 33 14.393 -4.514 18.685 1.00 25.00 O ATOM 0 H ASP A 33 13.306 -4.481 15.472 1.00 25.00 H new ATOM 0 HA ASP A 33 15.988 -5.725 15.299 1.00 25.00 H new ATOM 0 HB2 ASP A 33 13.607 -6.261 17.119 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.161 -7.065 17.211 1.00 25.00 H new ATOM 486 N GLY A 34 13.145 -6.884 14.146 1.00 25.00 N ATOM 487 CA GLY A 34 12.530 -7.863 13.252 1.00 25.00 C ATOM 488 C GLY A 34 11.626 -8.854 13.964 1.00 25.00 C ATOM 489 O GLY A 34 11.322 -9.917 13.417 1.00 25.00 O ATOM 0 H GLY A 34 12.527 -6.116 14.406 1.00 25.00 H new ATOM 0 HA2 GLY A 34 11.951 -7.336 12.493 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.315 -8.410 12.731 1.00 25.00 H new ATOM 493 N ASP A 35 11.195 -8.504 15.188 1.00 25.00 N ATOM 494 CA ASP A 35 10.236 -9.318 15.950 1.00 25.00 C ATOM 495 C ASP A 35 8.837 -9.250 15.308 1.00 25.00 C ATOM 496 O ASP A 35 8.048 -10.193 15.421 1.00 25.00 O ATOM 497 CB ASP A 35 10.188 -8.840 17.412 1.00 25.00 C ATOM 498 CG ASP A 35 11.425 -9.227 18.211 1.00 25.00 C ATOM 499 OD1 ASP A 35 12.169 -10.122 17.759 1.00 25.00 O ATOM 500 OD2 ASP A 35 11.645 -8.633 19.288 1.00 25.00 O ATOM 0 H ASP A 35 11.498 -7.659 15.671 1.00 25.00 H new ATOM 0 HA ASP A 35 10.564 -10.357 15.933 1.00 25.00 H new ATOM 0 HB2 ASP A 35 10.077 -7.756 17.429 1.00 25.00 H new ATOM 0 HB3 ASP A 35 9.305 -9.259 17.896 1.00 25.00 H new ATOM 505 N LYS A 36 8.554 -8.123 14.637 1.00 25.00 N ATOM 506 CA LYS A 36 7.317 -7.950 13.876 1.00 25.00 C ATOM 507 C LYS A 36 7.638 -7.940 12.385 1.00 25.00 C ATOM 508 O LYS A 36 8.509 -7.191 11.937 1.00 25.00 O ATOM 509 CB LYS A 36 6.623 -6.644 14.280 1.00 25.00 C ATOM 510 CG LYS A 36 5.216 -6.487 13.716 1.00 25.00 C ATOM 511 CD LYS A 36 4.485 -5.319 14.367 1.00 25.00 C ATOM 512 CE LYS A 36 3.091 -5.109 13.790 1.00 25.00 C ATOM 513 NZ LYS A 36 2.239 -4.275 14.679 1.00 25.00 N ATOM 0 H LYS A 36 9.174 -7.314 14.609 1.00 25.00 H new ATOM 0 HA LYS A 36 6.642 -8.778 14.093 1.00 25.00 H new ATOM 0 HB2 LYS A 36 6.575 -6.592 15.368 1.00 25.00 H new ATOM 0 HB3 LYS A 36 7.232 -5.803 13.947 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.269 -6.330 12.639 1.00 25.00 H new ATOM 0 HG3 LYS A 36 4.653 -7.406 13.877 1.00 25.00 H new ATOM 0 HD2 LYS A 36 4.408 -5.495 15.440 1.00 25.00 H new ATOM 0 HD3 LYS A 36 5.070 -4.409 14.235 1.00 25.00 H new ATOM 0 HE2 LYS A 36 3.171 -4.632 12.813 1.00 25.00 H new ATOM 0 HE3 LYS A 36 2.614 -6.077 13.634 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 1.441 -3.890 14.134 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 1.875 -4.859 15.459 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 2.804 -3.492 15.067 1.00 25.00 H new ATOM 527 N VAL A 37 6.934 -8.777 11.624 1.00 25.00 N ATOM 528 CA VAL A 37 7.217 -8.938 10.194 1.00 25.00 C ATOM 529 C VAL A 37 5.913 -9.041 9.366 1.00 25.00 C ATOM 530 O VAL A 37 5.026 -9.841 9.679 1.00 25.00 O ATOM 531 CB VAL A 37 8.175 -10.159 9.945 1.00 25.00 C ATOM 532 CG1 VAL A 37 8.572 -10.318 8.474 1.00 25.00 C ATOM 533 CG2 VAL A 37 9.413 -10.091 10.838 1.00 25.00 C ATOM 0 H VAL A 37 6.166 -9.353 11.970 1.00 25.00 H new ATOM 0 HA VAL A 37 7.736 -8.043 9.850 1.00 25.00 H new ATOM 0 HB VAL A 37 7.605 -11.048 10.214 1.00 25.00 H new ATOM 0 HG11 VAL A 37 9.234 -11.178 8.367 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.677 -10.471 7.870 1.00 25.00 H new ATOM 0 HG13 VAL A 37 9.088 -9.419 8.137 1.00 25.00 H new ATOM 0 HG21 VAL A 37 10.053 -10.951 10.639 1.00 25.00 H new ATOM 0 HG22 VAL A 37 9.963 -9.173 10.629 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.108 -10.100 11.884 1.00 25.00 H new ATOM 543 N HIS A 38 5.824 -8.207 8.321 1.00 25.00 N ATOM 544 CA HIS A 38 4.697 -8.225 7.380 1.00 25.00 C ATOM 545 C HIS A 38 5.216 -8.514 5.964 1.00 25.00 C ATOM 546 O HIS A 38 6.350 -8.155 5.633 1.00 25.00 O ATOM 547 CB HIS A 38 3.948 -6.878 7.426 1.00 25.00 C ATOM 548 CG HIS A 38 3.258 -6.595 8.730 1.00 25.00 C ATOM 549 ND1 HIS A 38 2.017 -7.107 9.053 1.00 25.00 N ATOM 550 CD2 HIS A 38 3.643 -5.852 9.797 1.00 25.00 C ATOM 551 CE1 HIS A 38 1.669 -6.691 10.258 1.00 25.00 C ATOM 552 NE2 HIS A 38 2.639 -5.930 10.731 1.00 25.00 N ATOM 0 H HIS A 38 6.530 -7.503 8.105 1.00 25.00 H new ATOM 0 HA HIS A 38 3.998 -9.012 7.664 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.657 -6.075 7.222 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.208 -6.860 6.626 1.00 25.00 H new ATOM 0 HD1 HIS A 38 1.456 -7.713 8.454 1.00 25.00 H new ATOM 0 HD2 HIS A 38 4.567 -5.301 9.894 1.00 25.00 H new ATOM 0 HE1 HIS A 38 0.748 -6.932 10.769 1.00 25.00 H new ATOM 561 N THR A 39 4.386 -9.163 5.136 1.00 25.00 N ATOM 562 CA THR A 39 4.805 -9.580 3.791 1.00 25.00 C ATOM 563 C THR A 39 3.799 -9.122 2.719 1.00 25.00 C ATOM 564 O THR A 39 2.585 -9.122 2.942 1.00 25.00 O ATOM 565 CB THR A 39 5.002 -11.123 3.737 1.00 25.00 C ATOM 566 OG1 THR A 39 6.033 -11.510 4.653 1.00 25.00 O ATOM 567 CG2 THR A 39 5.381 -11.613 2.339 1.00 25.00 C ATOM 0 H THR A 39 3.425 -9.410 5.372 1.00 25.00 H new ATOM 0 HA THR A 39 5.759 -9.098 3.574 1.00 25.00 H new ATOM 0 HB THR A 39 4.049 -11.577 4.009 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.154 -12.482 4.618 1.00 25.00 H new ATOM 0 HG21 THR A 39 5.507 -12.696 2.355 1.00 25.00 H new ATOM 0 HG22 THR A 39 4.592 -11.350 1.635 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.315 -11.144 2.030 1.00 25.00 H new ATOM 575 N VAL A 40 4.342 -8.735 1.552 1.00 25.00 N ATOM 576 CA VAL A 40 3.547 -8.266 0.406 1.00 25.00 C ATOM 577 C VAL A 40 4.010 -8.979 -0.884 1.00 25.00 C ATOM 578 O VAL A 40 5.060 -8.649 -1.427 1.00 25.00 O ATOM 579 CB VAL A 40 3.696 -6.712 0.228 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.829 -6.153 -0.899 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.379 -5.964 1.516 1.00 25.00 C ATOM 0 H VAL A 40 5.347 -8.739 1.377 1.00 25.00 H new ATOM 0 HA VAL A 40 2.499 -8.500 0.596 1.00 25.00 H new ATOM 0 HB VAL A 40 4.741 -6.554 -0.038 1.00 25.00 H new ATOM 0 HG11 VAL A 40 2.977 -5.075 -0.971 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.111 -6.622 -1.842 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.780 -6.362 -0.689 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.493 -4.892 1.352 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.354 -6.177 1.818 1.00 25.00 H new ATOM 0 HG23 VAL A 40 4.063 -6.286 2.301 1.00 25.00 H new ATOM 591 N VAL A 41 3.197 -9.915 -1.390 1.00 25.00 N ATOM 592 CA VAL A 41 3.476 -10.592 -2.667 1.00 25.00 C ATOM 593 C VAL A 41 2.990 -9.691 -3.817 1.00 25.00 C ATOM 594 O VAL A 41 1.795 -9.405 -3.917 1.00 25.00 O ATOM 595 CB VAL A 41 2.783 -11.993 -2.732 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.008 -12.673 -4.082 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.285 -12.906 -1.617 1.00 25.00 C ATOM 0 H VAL A 41 2.338 -10.223 -0.934 1.00 25.00 H new ATOM 0 HA VAL A 41 4.549 -10.761 -2.756 1.00 25.00 H new ATOM 0 HB VAL A 41 1.714 -11.821 -2.603 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.511 -13.643 -4.088 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.597 -12.050 -4.876 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.077 -12.811 -4.246 1.00 25.00 H new ATOM 0 HG21 VAL A 41 2.787 -13.873 -1.686 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.361 -13.045 -1.717 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.066 -12.453 -0.650 1.00 25.00 H new ATOM 607 N LEU A 42 3.920 -9.242 -4.674 1.00 25.00 N ATOM 608 CA LEU A 42 3.600 -8.219 -5.689 1.00 25.00 C ATOM 609 C LEU A 42 2.778 -8.760 -6.867 1.00 25.00 C ATOM 610 O LEU A 42 2.160 -7.976 -7.595 1.00 25.00 O ATOM 611 CB LEU A 42 4.865 -7.510 -6.238 1.00 25.00 C ATOM 612 CG LEU A 42 5.592 -6.485 -5.323 1.00 25.00 C ATOM 613 CD1 LEU A 42 4.610 -5.637 -4.530 1.00 25.00 C ATOM 614 CD2 LEU A 42 6.578 -7.157 -4.383 1.00 25.00 C ATOM 0 H LEU A 42 4.888 -9.564 -4.688 1.00 25.00 H new ATOM 0 HA LEU A 42 2.987 -7.494 -5.154 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.586 -8.281 -6.512 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.585 -6.995 -7.157 1.00 25.00 H new ATOM 0 HG LEU A 42 6.152 -5.828 -5.989 1.00 25.00 H new ATOM 0 HD11 LEU A 42 5.159 -4.934 -3.904 1.00 25.00 H new ATOM 0 HD12 LEU A 42 3.968 -5.086 -5.217 1.00 25.00 H new ATOM 0 HD13 LEU A 42 3.998 -6.282 -3.900 1.00 25.00 H new ATOM 0 HD21 LEU A 42 7.062 -6.402 -3.763 1.00 25.00 H new ATOM 0 HD22 LEU A 42 6.048 -7.865 -3.745 1.00 25.00 H new ATOM 0 HD23 LEU A 42 7.332 -7.687 -4.965 1.00 25.00 H new ATOM 626 N SER A 43 2.765 -10.091 -7.056 1.00 25.00 N ATOM 627 CA SER A 43 1.883 -10.728 -8.054 1.00 25.00 C ATOM 628 C SER A 43 0.409 -10.638 -7.617 1.00 25.00 C ATOM 629 O SER A 43 -0.499 -11.040 -8.352 1.00 25.00 O ATOM 630 CB SER A 43 2.293 -12.192 -8.278 1.00 25.00 C ATOM 631 OG SER A 43 2.006 -12.991 -7.143 1.00 25.00 O ATOM 0 H SER A 43 3.350 -10.744 -6.535 1.00 25.00 H new ATOM 0 HA SER A 43 1.991 -10.192 -8.997 1.00 25.00 H new ATOM 0 HB2 SER A 43 1.767 -12.589 -9.146 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.359 -12.243 -8.500 1.00 25.00 H new ATOM 0 HG SER A 43 2.277 -13.917 -7.318 1.00 25.00 H new ATOM 637 N THR A 44 0.203 -10.093 -6.410 1.00 25.00 N ATOM 638 CA THR A 44 -1.132 -9.851 -5.856 1.00 25.00 C ATOM 639 C THR A 44 -1.370 -8.338 -5.687 1.00 25.00 C ATOM 640 O THR A 44 -2.371 -7.915 -5.101 1.00 25.00 O ATOM 641 CB THR A 44 -1.324 -10.565 -4.484 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.425 -10.034 -3.498 1.00 25.00 O ATOM 643 CG2 THR A 44 -1.089 -12.066 -4.597 1.00 25.00 C ATOM 0 H THR A 44 0.961 -9.808 -5.790 1.00 25.00 H new ATOM 0 HA THR A 44 -1.858 -10.262 -6.557 1.00 25.00 H new ATOM 0 HB THR A 44 -2.355 -10.385 -4.178 1.00 25.00 H new ATOM 0 HG1 THR A 44 0.489 -10.043 -3.850 1.00 25.00 H new ATOM 0 HG21 THR A 44 -1.231 -12.531 -3.622 1.00 25.00 H new ATOM 0 HG22 THR A 44 -1.796 -12.492 -5.309 1.00 25.00 H new ATOM 0 HG23 THR A 44 -0.071 -12.250 -4.941 1.00 25.00 H new ATOM 651 N ILE A 45 -0.426 -7.542 -6.212 1.00 25.00 N ATOM 652 CA ILE A 45 -0.459 -6.076 -6.118 1.00 25.00 C ATOM 653 C ILE A 45 -0.627 -5.471 -7.519 1.00 25.00 C ATOM 654 O ILE A 45 0.014 -5.915 -8.475 1.00 25.00 O ATOM 655 CB ILE A 45 0.848 -5.542 -5.431 1.00 25.00 C ATOM 656 CG1 ILE A 45 0.925 -5.981 -3.937 1.00 25.00 C ATOM 657 CG2 ILE A 45 1.006 -4.019 -5.560 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.154 -5.421 -3.005 1.00 25.00 C ATOM 0 H ILE A 45 0.385 -7.900 -6.716 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.308 -5.776 -5.504 1.00 25.00 H new ATOM 0 HB ILE A 45 1.682 -5.995 -5.967 1.00 25.00 H new ATOM 0 HG12 ILE A 45 0.878 -7.069 -3.898 1.00 25.00 H new ATOM 0 HG13 ILE A 45 1.899 -5.689 -3.545 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.926 -3.706 -5.067 1.00 25.00 H new ATOM 0 HG22 ILE A 45 1.048 -3.746 -6.614 1.00 25.00 H new ATOM 0 HG23 ILE A 45 0.156 -3.524 -5.090 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.006 -5.798 -1.995 1.00 25.00 H new ATOM 0 HD12 ILE A 45 -0.100 -4.332 -2.999 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -1.137 -5.734 -3.357 1.00 25.00 H new ATOM 670 N ASP A 46 -1.491 -4.453 -7.616 1.00 25.00 N ATOM 671 CA ASP A 46 -1.804 -3.810 -8.894 1.00 25.00 C ATOM 672 C ASP A 46 -1.182 -2.406 -8.983 1.00 25.00 C ATOM 673 O ASP A 46 -0.649 -2.031 -10.031 1.00 25.00 O ATOM 674 CB ASP A 46 -3.333 -3.748 -9.081 1.00 25.00 C ATOM 675 CG ASP A 46 -3.758 -3.175 -10.426 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.348 -3.732 -11.466 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.500 -2.170 -10.435 1.00 25.00 O ATOM 0 H ASP A 46 -1.987 -4.056 -6.818 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.371 -4.406 -9.698 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.745 -4.752 -8.976 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.764 -3.142 -8.284 1.00 25.00 H new ATOM 682 N LYS A 47 -1.257 -1.641 -7.883 1.00 25.00 N ATOM 683 CA LYS A 47 -0.770 -0.258 -7.865 1.00 25.00 C ATOM 684 C LYS A 47 0.099 0.052 -6.638 1.00 25.00 C ATOM 685 O LYS A 47 0.194 -0.752 -5.708 1.00 25.00 O ATOM 686 CB LYS A 47 -1.955 0.710 -7.897 1.00 25.00 C ATOM 687 CG LYS A 47 -2.573 0.899 -9.267 1.00 25.00 C ATOM 688 CD LYS A 47 -4.099 0.805 -9.231 1.00 25.00 C ATOM 689 CE LYS A 47 -4.728 0.952 -10.613 1.00 25.00 C ATOM 690 NZ LYS A 47 -6.210 0.812 -10.578 1.00 25.00 N ATOM 0 H LYS A 47 -1.650 -1.959 -6.997 1.00 25.00 H new ATOM 0 HA LYS A 47 -0.146 -0.132 -8.750 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.722 0.348 -7.213 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.626 1.680 -7.523 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -2.280 1.871 -9.665 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -2.180 0.144 -9.948 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.390 -0.154 -8.803 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -4.492 1.580 -8.573 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -4.467 1.926 -11.027 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -4.310 0.200 -11.282 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -6.592 0.919 -11.539 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -6.461 -0.127 -10.209 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -6.614 1.546 -9.961 1.00 25.00 H new ATOM 704 N LEU A 48 0.743 1.241 -6.667 1.00 25.00 N ATOM 705 CA LEU A 48 1.591 1.739 -5.561 1.00 25.00 C ATOM 706 C LEU A 48 1.549 3.272 -5.560 1.00 25.00 C ATOM 707 O LEU A 48 1.822 3.897 -6.591 1.00 25.00 O ATOM 708 CB LEU A 48 3.066 1.280 -5.696 1.00 25.00 C ATOM 709 CG LEU A 48 3.461 0.677 -7.036 1.00 25.00 C ATOM 710 CD1 LEU A 48 3.644 1.755 -8.097 1.00 25.00 C ATOM 711 CD2 LEU A 48 4.722 -0.119 -6.878 1.00 25.00 C ATOM 0 H LEU A 48 0.689 1.882 -7.458 1.00 25.00 H new ATOM 0 HA LEU A 48 1.199 1.329 -4.630 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.711 2.137 -5.502 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.269 0.546 -4.916 1.00 25.00 H new ATOM 0 HG LEU A 48 2.657 0.020 -7.368 1.00 25.00 H new ATOM 0 HD11 LEU A 48 3.926 1.291 -9.042 1.00 25.00 H new ATOM 0 HD12 LEU A 48 2.710 2.301 -8.225 1.00 25.00 H new ATOM 0 HD13 LEU A 48 4.428 2.445 -7.783 1.00 25.00 H new ATOM 0 HD21 LEU A 48 5.003 -0.550 -7.839 1.00 25.00 H new ATOM 0 HD22 LEU A 48 5.521 0.532 -6.525 1.00 25.00 H new ATOM 0 HD23 LEU A 48 4.559 -0.919 -6.155 1.00 25.00 H new ATOM 723 N GLN A 49 1.205 3.877 -4.415 1.00 25.00 N ATOM 724 CA GLN A 49 1.085 5.344 -4.326 1.00 25.00 C ATOM 725 C GLN A 49 1.922 5.893 -3.162 1.00 25.00 C ATOM 726 O GLN A 49 1.683 5.551 -2.006 1.00 25.00 O ATOM 727 CB GLN A 49 -0.402 5.767 -4.183 1.00 25.00 C ATOM 728 CG GLN A 49 -1.267 5.435 -5.406 1.00 25.00 C ATOM 729 CD GLN A 49 -2.744 5.733 -5.206 1.00 25.00 C ATOM 730 OE1 GLN A 49 -3.184 6.031 -4.095 1.00 25.00 O ATOM 731 NE2 GLN A 49 -3.509 5.685 -6.288 1.00 25.00 N ATOM 0 H GLN A 49 1.006 3.383 -3.545 1.00 25.00 H new ATOM 0 HA GLN A 49 1.473 5.771 -5.251 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.826 5.276 -3.307 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.447 6.840 -4.000 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -0.903 6.002 -6.263 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -1.148 4.379 -5.649 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -3.103 5.433 -7.189 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -4.504 5.900 -6.219 1.00 25.00 H new ATOM 740 N ALA A 50 2.915 6.738 -3.487 1.00 25.00 N ATOM 741 CA ALA A 50 3.828 7.315 -2.485 1.00 25.00 C ATOM 742 C ALA A 50 3.630 8.830 -2.320 1.00 25.00 C ATOM 743 O ALA A 50 3.072 9.492 -3.200 1.00 25.00 O ATOM 744 CB ALA A 50 5.265 7.016 -2.885 1.00 25.00 C ATOM 0 H ALA A 50 3.107 7.038 -4.443 1.00 25.00 H new ATOM 0 HA ALA A 50 3.602 6.857 -1.522 1.00 25.00 H new ATOM 0 HB1 ALA A 50 5.944 7.441 -2.146 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.412 5.937 -2.934 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.470 7.455 -3.861 1.00 25.00 H new ATOM 750 N THR A 51 4.100 9.365 -1.171 1.00 25.00 N ATOM 751 CA THR A 51 4.027 10.808 -0.867 1.00 25.00 C ATOM 752 C THR A 51 5.121 11.592 -1.631 1.00 25.00 C ATOM 753 O THR A 51 6.307 11.294 -1.463 1.00 25.00 O ATOM 754 CB THR A 51 4.188 11.096 0.652 1.00 25.00 C ATOM 755 OG1 THR A 51 5.412 10.529 1.139 1.00 25.00 O ATOM 756 CG2 THR A 51 3.021 10.528 1.461 1.00 25.00 C ATOM 0 H THR A 51 4.537 8.811 -0.434 1.00 25.00 H new ATOM 0 HA THR A 51 3.038 11.136 -1.186 1.00 25.00 H new ATOM 0 HB THR A 51 4.203 12.179 0.776 1.00 25.00 H new ATOM 0 HG1 THR A 51 6.134 11.186 1.053 1.00 25.00 H new ATOM 0 HG21 THR A 51 3.169 10.749 2.518 1.00 25.00 H new ATOM 0 HG22 THR A 51 2.089 10.981 1.123 1.00 25.00 H new ATOM 0 HG23 THR A 51 2.972 9.448 1.320 1.00 25.00 H new ATOM 764 N PRO A 52 4.747 12.601 -2.490 1.00 25.00 N ATOM 765 CA PRO A 52 5.726 13.468 -3.193 1.00 25.00 C ATOM 766 C PRO A 52 6.689 14.192 -2.243 1.00 25.00 C ATOM 767 O PRO A 52 6.455 14.256 -1.033 1.00 25.00 O ATOM 768 CB PRO A 52 4.861 14.511 -3.910 1.00 25.00 C ATOM 769 CG PRO A 52 3.495 13.926 -4.015 1.00 25.00 C ATOM 770 CD PRO A 52 3.355 12.950 -2.854 1.00 25.00 C ATOM 0 HA PRO A 52 6.354 12.869 -3.852 1.00 25.00 H new ATOM 0 HB2 PRO A 52 4.840 15.447 -3.353 1.00 25.00 H new ATOM 0 HB3 PRO A 52 5.264 14.737 -4.897 1.00 25.00 H new ATOM 0 HG2 PRO A 52 2.734 14.705 -3.962 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.363 13.416 -4.969 1.00 25.00 H new ATOM 0 HD2 PRO A 52 2.828 13.405 -2.015 1.00 25.00 H new ATOM 0 HD3 PRO A 52 2.788 12.066 -3.145 1.00 25.00 H new ATOM 778 N ALA A 53 7.768 14.750 -2.820 1.00 25.00 N ATOM 779 CA ALA A 53 8.780 15.501 -2.061 1.00 25.00 C ATOM 780 C ALA A 53 8.266 16.880 -1.624 1.00 25.00 C ATOM 781 O ALA A 53 8.907 17.560 -0.815 1.00 25.00 O ATOM 782 CB ALA A 53 10.049 15.646 -2.891 1.00 25.00 C ATOM 0 H ALA A 53 7.961 14.693 -3.820 1.00 25.00 H new ATOM 0 HA ALA A 53 9.001 14.937 -1.155 1.00 25.00 H new ATOM 0 HB1 ALA A 53 10.794 16.203 -2.323 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.441 14.658 -3.132 1.00 25.00 H new ATOM 0 HB3 ALA A 53 9.822 16.181 -3.813 1.00 25.00 H new ATOM 788 N SER A 54 7.109 17.279 -2.171 1.00 25.00 N ATOM 789 CA SER A 54 6.446 18.529 -1.794 1.00 25.00 C ATOM 790 C SER A 54 5.311 18.269 -0.791 1.00 25.00 C ATOM 791 O SER A 54 4.742 19.212 -0.229 1.00 25.00 O ATOM 792 CB SER A 54 5.907 19.230 -3.040 1.00 25.00 C ATOM 793 OG SER A 54 4.875 18.476 -3.656 1.00 25.00 O ATOM 0 H SER A 54 6.611 16.745 -2.883 1.00 25.00 H new ATOM 0 HA SER A 54 7.179 19.176 -1.312 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.527 20.215 -2.769 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.719 19.386 -3.751 1.00 25.00 H new ATOM 0 HG SER A 54 4.551 18.952 -4.449 1.00 25.00 H new ATOM 799 N SER A 55 4.994 16.981 -0.567 1.00 25.00 N ATOM 800 CA SER A 55 3.952 16.572 0.376 1.00 25.00 C ATOM 801 C SER A 55 4.433 16.628 1.824 1.00 25.00 C ATOM 802 O SER A 55 5.572 16.265 2.133 1.00 25.00 O ATOM 803 CB SER A 55 3.465 15.168 0.032 1.00 25.00 C ATOM 804 OG SER A 55 2.558 14.712 1.015 1.00 25.00 O ATOM 0 H SER A 55 5.455 16.201 -1.036 1.00 25.00 H new ATOM 0 HA SER A 55 3.126 17.277 0.284 1.00 25.00 H new ATOM 0 HB2 SER A 55 2.982 15.172 -0.945 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.313 14.487 -0.034 1.00 25.00 H new ATOM 0 HG SER A 55 2.250 13.811 0.783 1.00 25.00 H new ATOM 810 N GLU A 56 3.532 17.101 2.704 1.00 25.00 N ATOM 811 CA GLU A 56 3.770 17.170 4.162 1.00 25.00 C ATOM 812 C GLU A 56 4.004 15.787 4.764 1.00 25.00 C ATOM 813 O GLU A 56 4.512 15.653 5.882 1.00 25.00 O ATOM 814 CB GLU A 56 2.561 17.797 4.854 1.00 25.00 C ATOM 815 CG GLU A 56 2.029 19.046 4.171 1.00 25.00 C ATOM 816 CD GLU A 56 1.381 18.749 2.832 1.00 25.00 C ATOM 817 OE1 GLU A 56 0.497 17.867 2.781 1.00 25.00 O ATOM 818 OE2 GLU A 56 1.759 19.399 1.833 1.00 25.00 O ATOM 0 H GLU A 56 2.614 17.448 2.425 1.00 25.00 H new ATOM 0 HA GLU A 56 4.663 17.776 4.317 1.00 25.00 H new ATOM 0 HB2 GLU A 56 1.762 17.057 4.906 1.00 25.00 H new ATOM 0 HB3 GLU A 56 2.832 18.045 5.880 1.00 25.00 H new ATOM 0 HG2 GLU A 56 1.302 19.530 4.823 1.00 25.00 H new ATOM 0 HG3 GLU A 56 2.847 19.752 4.026 1.00 25.00 H new ATOM 825 N LYS A 57 3.619 14.775 3.994 1.00 25.00 N ATOM 826 CA LYS A 57 3.620 13.400 4.429 1.00 25.00 C ATOM 827 C LYS A 57 4.835 12.626 3.946 1.00 25.00 C ATOM 828 O LYS A 57 5.476 12.995 2.958 1.00 25.00 O ATOM 829 CB LYS A 57 2.369 12.723 3.893 1.00 25.00 C ATOM 830 CG LYS A 57 1.074 13.133 4.556 1.00 25.00 C ATOM 831 CD LYS A 57 -0.005 12.081 4.440 1.00 25.00 C ATOM 832 CE LYS A 57 -1.354 12.699 4.729 1.00 25.00 C ATOM 833 NZ LYS A 57 -1.468 13.174 6.138 1.00 25.00 N ATOM 0 H LYS A 57 3.294 14.899 3.035 1.00 25.00 H new ATOM 0 HA LYS A 57 3.647 13.402 5.519 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.293 12.931 2.826 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.486 11.645 4.000 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.261 13.340 5.610 1.00 25.00 H new ATOM 0 HG3 LYS A 57 0.720 14.061 4.107 1.00 25.00 H new ATOM 0 HD2 LYS A 57 0.001 11.649 3.439 1.00 25.00 H new ATOM 0 HD3 LYS A 57 0.190 11.268 5.139 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -1.521 13.536 4.051 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -2.137 11.967 4.530 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -2.436 13.512 6.313 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -1.252 12.391 6.787 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.796 13.951 6.298 1.00 25.00 H new ATOM 847 N MET A 58 5.136 11.547 4.673 1.00 25.00 N ATOM 848 CA MET A 58 6.130 10.573 4.249 1.00 25.00 C ATOM 849 C MET A 58 5.585 9.166 4.416 1.00 25.00 C ATOM 850 O MET A 58 5.560 8.610 5.519 1.00 25.00 O ATOM 851 CB MET A 58 7.437 10.751 5.012 1.00 25.00 C ATOM 852 CG MET A 58 8.109 12.086 4.717 1.00 25.00 C ATOM 853 SD MET A 58 9.624 12.331 5.657 1.00 25.00 S ATOM 854 CE MET A 58 8.923 12.849 7.224 1.00 25.00 C ATOM 0 H MET A 58 4.697 11.330 5.567 1.00 25.00 H new ATOM 0 HA MET A 58 6.346 10.737 3.193 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.242 10.675 6.082 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.118 9.940 4.753 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.334 12.146 3.652 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.413 12.895 4.942 1.00 25.00 H new ATOM 0 HE1 MET A 58 9.726 13.114 7.912 1.00 25.00 H new ATOM 0 HE2 MET A 58 8.280 13.715 7.066 1.00 25.00 H new ATOM 0 HE3 MET A 58 8.337 12.034 7.648 1.00 25.00 H new ATOM 864 N MET A 59 5.145 8.602 3.287 1.00 25.00 N ATOM 865 CA MET A 59 4.426 7.329 3.255 1.00 25.00 C ATOM 866 C MET A 59 4.534 6.671 1.879 1.00 25.00 C ATOM 867 O MET A 59 4.761 7.346 0.871 1.00 25.00 O ATOM 868 CB MET A 59 2.941 7.541 3.598 1.00 25.00 C ATOM 869 CG MET A 59 2.674 8.059 5.012 1.00 25.00 C ATOM 870 SD MET A 59 0.942 8.478 5.402 1.00 25.00 S ATOM 871 CE MET A 59 1.001 9.176 7.053 1.00 25.00 C ATOM 0 H MET A 59 5.279 9.019 2.366 1.00 25.00 H new ATOM 0 HA MET A 59 4.882 6.674 3.997 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.515 8.244 2.883 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.415 6.596 3.468 1.00 25.00 H new ATOM 0 HG2 MET A 59 3.013 7.305 5.723 1.00 25.00 H new ATOM 0 HG3 MET A 59 3.286 8.947 5.173 1.00 25.00 H new ATOM 0 HE1 MET A 59 -0.005 9.456 7.366 1.00 25.00 H new ATOM 0 HE2 MET A 59 1.404 8.437 7.746 1.00 25.00 H new ATOM 0 HE3 MET A 59 1.640 10.059 7.052 1.00 25.00 H new ATOM 881 N LEU A 60 4.368 5.343 1.860 1.00 25.00 N ATOM 882 CA LEU A 60 4.378 4.564 0.628 1.00 25.00 C ATOM 883 C LEU A 60 3.228 3.561 0.660 1.00 25.00 C ATOM 884 O LEU A 60 3.183 2.687 1.531 1.00 25.00 O ATOM 885 CB LEU A 60 5.732 3.841 0.484 1.00 25.00 C ATOM 886 CG LEU A 60 5.849 2.824 -0.661 1.00 25.00 C ATOM 887 CD1 LEU A 60 5.651 3.497 -1.995 1.00 25.00 C ATOM 888 CD2 LEU A 60 7.187 2.114 -0.668 1.00 25.00 C ATOM 0 H LEU A 60 4.223 4.784 2.701 1.00 25.00 H new ATOM 0 HA LEU A 60 4.247 5.222 -0.231 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.508 4.594 0.351 1.00 25.00 H new ATOM 0 HB3 LEU A 60 5.945 3.326 1.421 1.00 25.00 H new ATOM 0 HG LEU A 60 5.067 2.083 -0.494 1.00 25.00 H new ATOM 0 HD11 LEU A 60 5.738 2.758 -2.792 1.00 25.00 H new ATOM 0 HD12 LEU A 60 4.661 3.953 -2.029 1.00 25.00 H new ATOM 0 HD13 LEU A 60 6.410 4.267 -2.130 1.00 25.00 H new ATOM 0 HD21 LEU A 60 7.219 1.406 -1.496 1.00 25.00 H new ATOM 0 HD22 LEU A 60 7.987 2.846 -0.785 1.00 25.00 H new ATOM 0 HD23 LEU A 60 7.320 1.579 0.272 1.00 25.00 H new ATOM 900 N ARG A 61 2.305 3.686 -0.296 1.00 25.00 N ATOM 901 CA ARG A 61 1.109 2.843 -0.327 1.00 25.00 C ATOM 902 C ARG A 61 1.219 1.750 -1.387 1.00 25.00 C ATOM 903 O ARG A 61 1.773 1.965 -2.468 1.00 25.00 O ATOM 904 CB ARG A 61 -0.161 3.681 -0.543 1.00 25.00 C ATOM 905 CG ARG A 61 -0.699 4.305 0.735 1.00 25.00 C ATOM 906 CD ARG A 61 -2.149 4.753 0.599 1.00 25.00 C ATOM 907 NE ARG A 61 -2.689 5.259 1.867 1.00 25.00 N ATOM 908 CZ ARG A 61 -3.048 4.484 2.906 1.00 25.00 C ATOM 909 NH1 ARG A 61 -2.894 3.161 2.864 1.00 25.00 N ATOM 910 NH2 ARG A 61 -3.564 5.040 3.993 1.00 25.00 N ATOM 0 H ARG A 61 2.363 4.362 -1.058 1.00 25.00 H new ATOM 0 HA ARG A 61 1.034 2.358 0.646 1.00 25.00 H new ATOM 0 HB2 ARG A 61 0.053 4.472 -1.262 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.933 3.050 -0.983 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -0.619 3.584 1.549 1.00 25.00 H new ATOM 0 HG3 ARG A 61 -0.081 5.161 1.006 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -2.218 5.531 -0.161 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -2.756 3.916 0.254 1.00 25.00 H new ATOM 0 HE ARG A 61 -2.800 6.268 1.967 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -2.498 2.720 2.034 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -3.172 2.590 3.662 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -3.687 6.051 4.039 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -3.838 4.456 4.783 1.00 25.00 H new ATOM 924 N LEU A 62 0.688 0.576 -1.044 1.00 25.00 N ATOM 925 CA LEU A 62 0.729 -0.606 -1.902 1.00 25.00 C ATOM 926 C LEU A 62 -0.690 -1.133 -2.141 1.00 25.00 C ATOM 927 O LEU A 62 -1.305 -1.737 -1.258 1.00 25.00 O ATOM 928 CB LEU A 62 1.605 -1.691 -1.238 1.00 25.00 C ATOM 929 CG LEU A 62 3.092 -1.375 -0.932 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.792 -2.601 -0.385 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.852 -0.827 -2.141 1.00 25.00 C ATOM 0 H LEU A 62 0.214 0.419 -0.155 1.00 25.00 H new ATOM 0 HA LEU A 62 1.162 -0.340 -2.866 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.128 -1.969 -0.298 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.581 -2.571 -1.880 1.00 25.00 H new ATOM 0 HG LEU A 62 3.092 -0.587 -0.179 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.835 -2.362 -0.176 1.00 25.00 H new ATOM 0 HD12 LEU A 62 3.301 -2.920 0.534 1.00 25.00 H new ATOM 0 HD13 LEU A 62 3.745 -3.405 -1.119 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.886 -0.626 -1.860 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.830 -1.560 -2.947 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.382 0.097 -2.478 1.00 25.00 H new ATOM 943 N ILE A 63 -1.191 -0.903 -3.354 1.00 25.00 N ATOM 944 CA ILE A 63 -2.581 -1.210 -3.720 1.00 25.00 C ATOM 945 C ILE A 63 -2.702 -2.682 -4.165 1.00 25.00 C ATOM 946 O ILE A 63 -1.890 -3.167 -4.954 1.00 25.00 O ATOM 947 CB ILE A 63 -3.070 -0.238 -4.854 1.00 25.00 C ATOM 948 CG1 ILE A 63 -2.831 1.252 -4.512 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.547 -0.422 -5.191 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.941 2.191 -4.921 1.00 25.00 C ATOM 0 H ILE A 63 -0.646 -0.498 -4.115 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.218 -1.065 -2.848 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.467 -0.507 -5.721 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -2.679 1.342 -3.436 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -1.908 1.575 -4.993 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -4.830 0.275 -5.980 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.718 -1.444 -5.530 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.150 -0.229 -4.303 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.678 3.210 -4.638 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -4.082 2.139 -6.001 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.865 1.902 -4.420 1.00 25.00 H new ATOM 962 N GLY A 64 -3.739 -3.362 -3.660 1.00 25.00 N ATOM 963 CA GLY A 64 -3.908 -4.793 -3.898 1.00 25.00 C ATOM 964 C GLY A 64 -4.732 -5.118 -5.132 1.00 25.00 C ATOM 965 O GLY A 64 -5.493 -4.280 -5.623 1.00 25.00 O ATOM 0 H GLY A 64 -4.470 -2.942 -3.086 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -2.925 -5.253 -3.998 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.384 -5.243 -3.027 1.00 25.00 H new ATOM 969 N LYS A 65 -4.570 -6.354 -5.624 1.00 25.00 N ATOM 970 CA LYS A 65 -5.296 -6.842 -6.797 1.00 25.00 C ATOM 971 C LYS A 65 -6.675 -7.380 -6.435 1.00 25.00 C ATOM 972 O LYS A 65 -6.810 -8.403 -5.752 1.00 25.00 O ATOM 973 CB LYS A 65 -4.494 -7.921 -7.506 1.00 25.00 C ATOM 974 CG LYS A 65 -5.144 -8.395 -8.783 1.00 25.00 C ATOM 975 CD LYS A 65 -4.257 -9.371 -9.532 1.00 25.00 C ATOM 976 CE LYS A 65 -4.853 -9.755 -10.878 1.00 25.00 C ATOM 977 NZ LYS A 65 -4.909 -8.605 -11.820 1.00 25.00 N ATOM 0 H LYS A 65 -3.933 -7.040 -5.219 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.435 -5.992 -7.465 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.499 -7.537 -7.732 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.364 -8.770 -6.834 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.097 -8.872 -8.552 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.363 -7.538 -9.420 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -3.273 -8.926 -9.683 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -4.112 -10.267 -8.929 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -4.260 -10.555 -11.320 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.858 -10.149 -10.729 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -5.094 -8.953 -12.782 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -5.671 -7.958 -11.533 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -4.001 -8.098 -11.804 1.00 25.00 H new ATOM 1019 N GLU A 68 -13.090 -6.301 -9.587 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.200 -5.343 -9.488 1.00 25.00 C ATOM 1021 C GLU A 68 -15.397 -5.752 -10.361 1.00 25.00 C ATOM 1022 O GLU A 68 -16.433 -5.078 -10.361 1.00 25.00 O ATOM 1023 CB GLU A 68 -13.717 -3.933 -9.859 1.00 25.00 C ATOM 1024 CG GLU A 68 -12.865 -3.268 -8.781 1.00 25.00 C ATOM 1025 CD GLU A 68 -12.400 -1.880 -9.179 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -13.255 -1.054 -9.564 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -11.181 -1.618 -9.105 1.00 25.00 O ATOM 0 HA GLU A 68 -14.543 -5.343 -8.453 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -13.140 -3.988 -10.782 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -14.584 -3.304 -10.062 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -13.440 -3.204 -7.857 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -11.996 -3.893 -8.573 1.00 25.00 H new ATOM 1034 N SER A 69 -15.247 -6.867 -11.094 1.00 25.00 N ATOM 1035 CA SER A 69 -16.312 -7.396 -11.956 1.00 25.00 C ATOM 1036 C SER A 69 -17.355 -8.193 -11.156 1.00 25.00 C ATOM 1037 O SER A 69 -18.498 -8.341 -11.600 1.00 25.00 O ATOM 1038 CB SER A 69 -15.710 -8.274 -13.061 1.00 25.00 C ATOM 1039 OG SER A 69 -15.452 -9.591 -12.598 1.00 25.00 O ATOM 0 H SER A 69 -14.391 -7.422 -11.105 1.00 25.00 H new ATOM 0 HA SER A 69 -16.823 -6.545 -12.407 1.00 25.00 H new ATOM 0 HB2 SER A 69 -16.394 -8.313 -13.909 1.00 25.00 H new ATOM 0 HB3 SER A 69 -14.783 -7.825 -13.419 1.00 25.00 H new ATOM 0 HG SER A 69 -15.071 -10.125 -13.326 1.00 25.00 H new ATOM 1045 N LYS A 70 -16.953 -8.698 -9.978 1.00 25.00 N ATOM 1046 CA LYS A 70 -17.837 -9.458 -9.102 1.00 25.00 C ATOM 1047 C LYS A 70 -18.696 -8.529 -8.232 1.00 25.00 C ATOM 1048 O LYS A 70 -18.188 -7.572 -7.636 1.00 25.00 O ATOM 1049 CB LYS A 70 -17.008 -10.417 -8.231 1.00 25.00 C ATOM 1050 CG LYS A 70 -16.320 -11.554 -8.998 1.00 25.00 C ATOM 1051 CD LYS A 70 -15.509 -12.486 -8.096 1.00 25.00 C ATOM 1052 CE LYS A 70 -14.805 -13.594 -8.879 1.00 25.00 C ATOM 1053 NZ LYS A 70 -14.134 -14.572 -7.979 1.00 25.00 N ATOM 0 H LYS A 70 -16.007 -8.587 -9.614 1.00 25.00 H new ATOM 0 HA LYS A 70 -18.518 -10.042 -9.721 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -16.247 -9.841 -7.705 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -17.660 -10.852 -7.473 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -17.075 -12.136 -9.526 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -15.661 -11.127 -9.754 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -14.767 -11.903 -7.551 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -16.170 -12.934 -7.354 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -15.531 -14.115 -9.503 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -14.067 -13.152 -9.549 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -13.669 -15.307 -8.550 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -13.423 -14.081 -7.401 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -14.841 -15.013 -7.357 1.00 25.00 H new ATOM 1067 N LYS A 71 -19.991 -8.819 -8.185 1.00 25.00 N ATOM 1068 CA LYS A 71 -20.941 -8.040 -7.385 1.00 25.00 C ATOM 1069 C LYS A 71 -21.199 -8.698 -6.028 1.00 25.00 C ATOM 1070 O LYS A 71 -21.518 -9.889 -5.956 1.00 25.00 O ATOM 1071 CB LYS A 71 -22.270 -7.850 -8.144 1.00 25.00 C ATOM 1072 CG LYS A 71 -22.165 -7.050 -9.434 1.00 25.00 C ATOM 1073 CD LYS A 71 -23.537 -6.782 -10.046 1.00 25.00 C ATOM 1074 CE LYS A 71 -23.433 -5.911 -11.281 1.00 25.00 C ATOM 1075 NZ LYS A 71 -23.035 -4.509 -10.964 1.00 25.00 N ATOM 0 H LYS A 71 -20.414 -9.594 -8.695 1.00 25.00 H new ATOM 0 HA LYS A 71 -20.495 -7.061 -7.209 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -22.682 -8.832 -8.376 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -22.981 -7.354 -7.483 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -21.664 -6.103 -9.235 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -21.547 -7.593 -10.149 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -24.012 -7.728 -10.306 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -24.177 -6.296 -9.309 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -22.705 -6.345 -11.966 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -24.393 -5.904 -11.798 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -23.110 -3.925 -11.821 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -23.664 -4.127 -10.229 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -22.053 -4.496 -10.621 1.00 25.00 H new ATOM 1089 N ARG A 72 -21.046 -7.910 -4.957 1.00 25.00 N ATOM 1090 CA ARG A 72 -21.346 -8.365 -3.598 1.00 25.00 C ATOM 1091 C ARG A 72 -22.570 -7.613 -3.060 1.00 25.00 C ATOM 1092 O ARG A 72 -22.855 -6.495 -3.492 1.00 25.00 O ATOM 1093 CB ARG A 72 -20.114 -8.146 -2.693 1.00 25.00 C ATOM 1094 CG ARG A 72 -20.321 -8.506 -1.223 1.00 25.00 C ATOM 1095 CD ARG A 72 -19.015 -8.441 -0.444 1.00 25.00 C ATOM 1096 NE ARG A 72 -18.753 -7.095 0.082 1.00 25.00 N ATOM 1097 CZ ARG A 72 -19.081 -6.674 1.313 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -19.696 -7.483 2.177 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -18.792 -5.434 1.677 1.00 25.00 N ATOM 0 H ARG A 72 -20.713 -6.947 -5.009 1.00 25.00 H new ATOM 0 HA ARG A 72 -21.577 -9.430 -3.608 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -19.286 -8.737 -3.083 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -19.816 -7.099 -2.757 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -21.045 -7.823 -0.779 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -20.741 -9.509 -1.149 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -19.050 -9.152 0.381 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -18.192 -8.744 -1.091 1.00 25.00 H new ATOM 0 HE ARG A 72 -18.287 -6.430 -0.535 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -19.925 -8.439 1.906 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -19.938 -7.145 3.109 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -18.323 -4.807 1.023 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -19.038 -5.106 2.611 1.00 25.00 H new ATOM 1113 N LYS A 73 -23.295 -8.246 -2.133 1.00 25.00 N ATOM 1114 CA LYS A 73 -24.440 -7.615 -1.470 1.00 25.00 C ATOM 1115 C LYS A 73 -24.301 -7.742 0.042 1.00 25.00 C ATOM 1116 O LYS A 73 -23.863 -8.781 0.550 1.00 25.00 O ATOM 1117 CB LYS A 73 -25.766 -8.240 -1.925 1.00 25.00 C ATOM 1118 CG LYS A 73 -25.929 -9.685 -1.504 1.00 25.00 C ATOM 1119 CD LYS A 73 -27.233 -10.274 -2.007 1.00 25.00 C ATOM 1120 CE LYS A 73 -27.440 -11.689 -1.489 1.00 25.00 C ATOM 1121 NZ LYS A 73 -27.559 -11.739 -0.002 1.00 25.00 N ATOM 0 H LYS A 73 -23.108 -9.200 -1.824 1.00 25.00 H new ATOM 0 HA LYS A 73 -24.450 -6.561 -1.749 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -26.592 -7.656 -1.519 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -25.835 -8.176 -3.011 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -25.094 -10.272 -1.886 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -25.895 -9.753 -0.417 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -28.064 -9.644 -1.691 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -27.235 -10.280 -3.097 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -28.341 -12.109 -1.937 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -26.605 -12.314 -1.805 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -27.946 -12.661 0.284 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -26.620 -11.610 0.426 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -28.194 -10.981 0.321 1.00 25.00 H new ATOM 1135 N ASP A 74 -24.676 -6.676 0.756 1.00 25.00 N ATOM 1136 CA ASP A 74 -24.586 -6.638 2.222 1.00 25.00 C ATOM 1137 C ASP A 74 -25.773 -7.374 2.880 1.00 25.00 C ATOM 1138 O ASP A 74 -26.591 -7.971 2.173 1.00 25.00 O ATOM 1139 CB ASP A 74 -24.477 -5.175 2.713 1.00 25.00 C ATOM 1140 CG ASP A 74 -25.718 -4.337 2.433 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -26.725 -4.906 1.962 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -25.679 -3.115 2.687 1.00 25.00 O ATOM 0 H ASP A 74 -25.047 -5.822 0.340 1.00 25.00 H new ATOM 0 HA ASP A 74 -23.682 -7.166 2.525 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -24.285 -5.175 3.786 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -23.617 -4.705 2.236 1.00 25.00 H new ATOM 1147 N ASN A 75 -25.870 -7.327 4.222 1.00 25.00 N ATOM 1148 CA ASN A 75 -26.918 -8.055 4.970 1.00 25.00 C ATOM 1149 C ASN A 75 -28.342 -7.639 4.554 1.00 25.00 C ATOM 1150 O ASN A 75 -29.264 -8.462 4.569 1.00 25.00 O ATOM 1151 CB ASN A 75 -26.740 -7.846 6.480 1.00 25.00 C ATOM 1152 CG ASN A 75 -25.499 -8.531 7.030 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -24.959 -9.450 6.415 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -25.041 -8.081 8.194 1.00 25.00 N ATOM 0 H ASN A 75 -25.235 -6.792 4.814 1.00 25.00 H new ATOM 0 HA ASN A 75 -26.801 -9.111 4.725 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -26.682 -6.778 6.689 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -27.619 -8.226 7.000 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -24.210 -8.500 8.612 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -25.520 -7.316 8.670 1.00 25.00 H new ATOM 1161 N GLU A 76 -28.502 -6.364 4.164 1.00 25.00 N ATOM 1162 CA GLU A 76 -29.794 -5.828 3.713 1.00 25.00 C ATOM 1163 C GLU A 76 -30.141 -6.280 2.285 1.00 25.00 C ATOM 1164 O GLU A 76 -31.320 -6.431 1.949 1.00 25.00 O ATOM 1165 CB GLU A 76 -29.755 -4.298 3.778 1.00 25.00 C ATOM 1166 CG GLU A 76 -29.706 -3.740 5.197 1.00 25.00 C ATOM 1167 CD GLU A 76 -29.695 -2.223 5.243 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -29.712 -1.595 4.162 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -29.670 -1.661 6.358 1.00 25.00 O ATOM 0 H GLU A 76 -27.745 -5.681 4.153 1.00 25.00 H new ATOM 0 HA GLU A 76 -30.569 -6.216 4.374 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -28.883 -3.943 3.228 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -30.635 -3.900 3.272 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -30.567 -4.108 5.755 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -28.816 -4.119 5.699 1.00 25.00 H new ATOM 1176 N GLY A 77 -29.105 -6.495 1.457 1.00 25.00 N ATOM 1177 CA GLY A 77 -29.303 -6.943 0.082 1.00 25.00 C ATOM 1178 C GLY A 77 -29.016 -5.863 -0.952 1.00 25.00 C ATOM 1179 O GLY A 77 -29.413 -5.999 -2.113 1.00 25.00 O ATOM 0 H GLY A 77 -28.128 -6.364 1.721 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -28.658 -7.800 -0.110 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -30.331 -7.285 -0.037 1.00 25.00 H new ATOM 1183 N ASN A 78 -28.325 -4.792 -0.531 1.00 25.00 N ATOM 1184 CA ASN A 78 -27.923 -3.709 -1.436 1.00 25.00 C ATOM 1185 C ASN A 78 -26.597 -4.046 -2.120 1.00 25.00 C ATOM 1186 O ASN A 78 -25.752 -4.736 -1.543 1.00 25.00 O ATOM 1187 CB ASN A 78 -27.801 -2.381 -0.675 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.121 -1.916 -0.087 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -30.098 -1.715 -0.808 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -29.153 -1.736 1.227 1.00 25.00 N ATOM 0 H ASN A 78 -28.033 -4.655 0.437 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.694 -3.602 -2.199 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -27.071 -2.493 0.127 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -27.419 -1.615 -1.350 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -30.011 -1.419 1.678 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -28.319 -1.915 1.787 1.00 25.00 H new ATOM 1197 N GLU A 79 -26.424 -3.544 -3.350 1.00 25.00 N ATOM 1198 CA GLU A 79 -25.259 -3.876 -4.176 1.00 25.00 C ATOM 1199 C GLU A 79 -24.009 -3.123 -3.706 1.00 25.00 C ATOM 1200 O GLU A 79 -23.900 -1.901 -3.857 1.00 25.00 O ATOM 1201 CB GLU A 79 -25.562 -3.579 -5.646 1.00 25.00 C ATOM 1202 CG GLU A 79 -26.114 -2.187 -5.919 1.00 25.00 C ATOM 1203 CD GLU A 79 -27.539 -2.032 -5.429 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -28.360 -2.937 -5.693 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -27.837 -1.006 -4.782 1.00 25.00 O ATOM 0 H GLU A 79 -27.081 -2.903 -3.795 1.00 25.00 H new ATOM 0 HA GLU A 79 -25.052 -4.941 -4.070 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -24.647 -3.711 -6.224 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -26.278 -4.316 -6.010 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -25.481 -1.445 -5.432 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -26.075 -1.986 -6.990 1.00 25.00 H new ATOM 1212 N VAL A 80 -23.082 -3.887 -3.126 1.00 25.00 N ATOM 1213 CA VAL A 80 -21.802 -3.364 -2.652 1.00 25.00 C ATOM 1214 C VAL A 80 -20.655 -4.019 -3.421 1.00 25.00 C ATOM 1215 O VAL A 80 -20.500 -5.242 -3.386 1.00 25.00 O ATOM 1216 CB VAL A 80 -21.602 -3.565 -1.114 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -20.223 -3.084 -0.685 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -22.684 -2.862 -0.285 1.00 25.00 C ATOM 0 H VAL A 80 -23.199 -4.888 -2.972 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.805 -2.290 -2.835 1.00 25.00 H new ATOM 0 HB VAL A 80 -21.688 -4.635 -0.923 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -20.103 -3.232 0.388 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -19.458 -3.650 -1.217 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -20.118 -2.025 -0.919 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -22.498 -3.033 0.775 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -22.661 -1.792 -0.489 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -23.663 -3.261 -0.551 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.863 -3.209 -4.121 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.786 -3.737 -4.957 1.00 25.00 C ATOM 1230 C VAL A 81 -17.445 -3.713 -4.193 1.00 25.00 C ATOM 1231 O VAL A 81 -17.064 -2.661 -3.672 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.610 -2.979 -6.299 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -17.407 -3.522 -7.055 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.857 -3.026 -7.187 1.00 25.00 C ATOM 0 H VAL A 81 -19.945 -2.192 -4.127 1.00 25.00 H new ATOM 0 HA VAL A 81 -19.076 -4.760 -5.195 1.00 25.00 H new ATOM 0 HB VAL A 81 -18.447 -1.931 -6.046 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -17.294 -2.982 -7.995 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.509 -3.392 -6.451 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.555 -4.582 -7.261 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -19.668 -2.477 -8.110 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -20.096 -4.063 -7.424 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -20.696 -2.571 -6.660 1.00 25.00 H new ATOM 1244 N PRO A 82 -16.702 -4.868 -4.107 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.441 -4.960 -3.331 1.00 25.00 C ATOM 1246 C PRO A 82 -14.308 -4.102 -3.895 1.00 25.00 C ATOM 1247 O PRO A 82 -13.968 -4.188 -5.080 1.00 25.00 O ATOM 1248 CB PRO A 82 -15.067 -6.445 -3.415 1.00 25.00 C ATOM 1249 CG PRO A 82 -15.717 -6.922 -4.660 1.00 25.00 C ATOM 1250 CD PRO A 82 -17.022 -6.180 -4.718 1.00 25.00 C ATOM 0 HA PRO A 82 -15.586 -4.590 -2.316 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -13.986 -6.580 -3.455 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -15.425 -6.994 -2.545 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -15.102 -6.710 -5.534 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -15.875 -8.000 -4.636 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -17.376 -6.070 -5.743 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -17.804 -6.700 -4.165 1.00 25.00 H new ATOM 1258 N LYS A 83 -13.747 -3.270 -3.020 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.646 -2.367 -3.379 1.00 25.00 C ATOM 1260 C LYS A 83 -11.268 -2.968 -2.998 1.00 25.00 C ATOM 1261 O LYS A 83 -11.197 -3.811 -2.099 1.00 25.00 O ATOM 1262 CB LYS A 83 -12.858 -0.975 -2.741 1.00 25.00 C ATOM 1263 CG LYS A 83 -14.130 -0.251 -3.177 1.00 25.00 C ATOM 1264 CD LYS A 83 -14.120 0.144 -4.655 1.00 25.00 C ATOM 1265 CE LYS A 83 -15.320 1.007 -5.037 1.00 25.00 C ATOM 1266 NZ LYS A 83 -15.301 1.388 -6.476 1.00 25.00 N ATOM 0 H LYS A 83 -14.038 -3.200 -2.045 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.648 -2.245 -4.462 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -12.876 -1.088 -1.657 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -12.000 -0.347 -2.982 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -14.990 -0.892 -2.984 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -14.258 0.644 -2.569 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -13.201 0.687 -4.877 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -14.114 -0.757 -5.269 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -16.240 0.465 -4.818 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -15.328 1.908 -4.424 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -16.133 1.973 -6.691 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -14.436 1.928 -6.681 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -15.320 0.530 -7.063 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.600 -0.999 1.248 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.632 -1.154 2.347 1.00 25.00 C ATOM 1337 C HIS A 87 0.312 0.058 2.414 1.00 25.00 C ATOM 1338 O HIS A 87 1.135 0.265 1.518 1.00 25.00 O ATOM 1339 CB HIS A 87 0.181 -2.450 2.174 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.646 -3.700 2.091 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.219 -4.299 3.192 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -0.967 -4.482 1.030 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -1.854 -5.395 2.815 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -1.718 -5.528 1.509 1.00 25.00 N ATOM 0 HA HIS A 87 -1.188 -1.213 3.282 1.00 25.00 H new ATOM 0 HB2 HIS A 87 0.783 -2.368 1.269 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.874 -2.543 3.010 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -0.685 -4.314 0.001 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.393 -6.068 3.465 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -2.107 -6.285 0.947 1.00 25.00 H new ATOM 1353 N MET A 88 0.193 0.845 3.494 1.00 25.00 N ATOM 1354 CA MET A 88 0.967 2.088 3.652 1.00 25.00 C ATOM 1355 C MET A 88 2.178 1.874 4.569 1.00 25.00 C ATOM 1356 O MET A 88 2.100 1.144 5.563 1.00 25.00 O ATOM 1357 CB MET A 88 0.061 3.194 4.221 1.00 25.00 C ATOM 1358 CG MET A 88 0.714 4.569 4.344 1.00 25.00 C ATOM 1359 SD MET A 88 -0.437 5.800 4.968 1.00 25.00 S ATOM 1360 CE MET A 88 -0.571 5.289 6.676 1.00 25.00 C ATOM 0 H MET A 88 -0.433 0.643 4.273 1.00 25.00 H new ATOM 0 HA MET A 88 1.337 2.390 2.672 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.820 3.283 3.585 1.00 25.00 H new ATOM 0 HB3 MET A 88 -0.287 2.885 5.207 1.00 25.00 H new ATOM 0 HG2 MET A 88 1.574 4.505 5.010 1.00 25.00 H new ATOM 0 HG3 MET A 88 1.088 4.882 3.369 1.00 25.00 H new ATOM 0 HE1 MET A 88 -1.011 6.095 7.263 1.00 25.00 H new ATOM 0 HE2 MET A 88 -1.204 4.404 6.742 1.00 25.00 H new ATOM 0 HE3 MET A 88 0.420 5.056 7.065 1.00 25.00 H new ATOM 1370 N PHE A 89 3.292 2.528 4.212 1.00 25.00 N ATOM 1371 CA PHE A 89 4.531 2.478 4.997 1.00 25.00 C ATOM 1372 C PHE A 89 5.123 3.884 5.110 1.00 25.00 C ATOM 1373 O PHE A 89 5.320 4.551 4.094 1.00 25.00 O ATOM 1374 CB PHE A 89 5.583 1.564 4.338 1.00 25.00 C ATOM 1375 CG PHE A 89 5.238 0.100 4.296 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.568 -0.433 3.203 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.584 -0.739 5.339 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.248 -1.774 3.151 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.267 -2.081 5.299 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.596 -2.600 4.204 1.00 25.00 C ATOM 0 H PHE A 89 3.359 3.105 3.373 1.00 25.00 H new ATOM 0 HA PHE A 89 4.282 2.079 5.980 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.750 1.909 3.318 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.526 1.681 4.872 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.293 0.212 2.381 1.00 25.00 H new ATOM 0 HD2 PHE A 89 6.108 -0.339 6.194 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.729 -2.176 2.293 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.542 -2.726 6.120 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.345 -3.650 4.173 1.00 25.00 H new ATOM 1390 N SER A 90 5.424 4.328 6.333 1.00 25.00 N ATOM 1391 CA SER A 90 6.011 5.661 6.545 1.00 25.00 C ATOM 1392 C SER A 90 7.527 5.645 6.336 1.00 25.00 C ATOM 1393 O SER A 90 8.204 4.668 6.664 1.00 25.00 O ATOM 1394 CB SER A 90 5.665 6.193 7.931 1.00 25.00 C ATOM 1395 OG SER A 90 4.349 6.719 7.960 1.00 25.00 O ATOM 0 H SER A 90 5.274 3.792 7.188 1.00 25.00 H new ATOM 0 HA SER A 90 5.580 6.332 5.802 1.00 25.00 H new ATOM 0 HB2 SER A 90 5.757 5.392 8.665 1.00 25.00 H new ATOM 0 HB3 SER A 90 6.377 6.968 8.215 1.00 25.00 H new ATOM 0 HG SER A 90 4.150 7.053 8.860 1.00 25.00 H new ATOM 1401 N PHE A 91 8.037 6.746 5.784 1.00 25.00 N ATOM 1402 CA PHE A 91 9.440 6.856 5.373 1.00 25.00 C ATOM 1403 C PHE A 91 10.098 8.112 5.946 1.00 25.00 C ATOM 1404 O PHE A 91 9.432 8.946 6.566 1.00 25.00 O ATOM 1405 CB PHE A 91 9.510 6.881 3.839 1.00 25.00 C ATOM 1406 CG PHE A 91 9.566 5.522 3.196 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.440 4.713 3.159 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.744 5.048 2.640 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.490 3.456 2.585 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.794 3.795 2.063 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.668 3.028 1.975 1.00 25.00 C ATOM 0 H PHE A 91 7.490 7.589 5.608 1.00 25.00 H new ATOM 0 HA PHE A 91 9.983 5.995 5.761 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.640 7.415 3.457 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.390 7.449 3.537 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.513 5.069 3.584 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.631 5.665 2.658 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.624 2.811 2.609 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.730 3.419 1.678 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.690 2.093 1.435 1.00 25.00 H new ATOM 1421 N ASN A 92 11.417 8.229 5.734 1.00 25.00 N ATOM 1422 CA ASN A 92 12.189 9.377 6.216 1.00 25.00 C ATOM 1423 C ASN A 92 12.919 10.108 5.077 1.00 25.00 C ATOM 1424 O ASN A 92 13.385 11.235 5.269 1.00 25.00 O ATOM 1425 CB ASN A 92 13.189 8.943 7.315 1.00 25.00 C ATOM 1426 CG ASN A 92 12.536 8.397 8.584 1.00 25.00 C ATOM 1427 OD1 ASN A 92 11.922 9.133 9.360 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.667 7.093 8.796 1.00 25.00 N ATOM 0 H ASN A 92 11.971 7.537 5.229 1.00 25.00 H new ATOM 0 HA ASN A 92 11.478 10.082 6.647 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.852 8.181 6.905 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.812 9.797 7.580 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.252 6.667 9.625 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.183 6.517 8.130 1.00 25.00 H new ATOM 1435 N ASN A 93 13.015 9.466 3.894 1.00 25.00 N ATOM 1436 CA ASN A 93 13.713 10.049 2.740 1.00 25.00 C ATOM 1437 C ASN A 93 13.079 9.588 1.429 1.00 25.00 C ATOM 1438 O ASN A 93 12.921 8.388 1.190 1.00 25.00 O ATOM 1439 CB ASN A 93 15.209 9.681 2.745 1.00 25.00 C ATOM 1440 CG ASN A 93 16.027 10.492 1.753 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.476 11.146 0.867 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.346 10.448 1.894 1.00 25.00 N ATOM 0 H ASN A 93 12.616 8.544 3.718 1.00 25.00 H new ATOM 0 HA ASN A 93 13.620 11.132 2.820 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.611 9.832 3.747 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.317 8.621 2.515 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.945 10.969 1.254 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.761 9.893 2.643 1.00 25.00 H new ATOM 1449 N ARG A 94 12.709 10.571 0.591 1.00 25.00 N ATOM 1450 CA ARG A 94 12.155 10.334 -0.760 1.00 25.00 C ATOM 1451 C ARG A 94 13.068 9.486 -1.655 1.00 25.00 C ATOM 1452 O ARG A 94 12.597 8.880 -2.622 1.00 25.00 O ATOM 1453 CB ARG A 94 11.886 11.667 -1.460 1.00 25.00 C ATOM 1454 CG ARG A 94 13.128 12.442 -1.844 1.00 25.00 C ATOM 1455 CD ARG A 94 12.790 13.790 -2.448 1.00 25.00 C ATOM 1456 NE ARG A 94 13.988 14.550 -2.845 1.00 25.00 N ATOM 1457 CZ ARG A 94 14.640 14.407 -4.011 1.00 25.00 C ATOM 1458 NH1 ARG A 94 14.239 13.527 -4.925 1.00 25.00 N ATOM 1459 NH2 ARG A 94 15.707 15.155 -4.258 1.00 25.00 N ATOM 0 H ARG A 94 12.785 11.560 0.830 1.00 25.00 H new ATOM 0 HA ARG A 94 11.231 9.776 -0.611 1.00 25.00 H new ATOM 0 HB2 ARG A 94 11.300 11.478 -2.359 1.00 25.00 H new ATOM 0 HB3 ARG A 94 11.274 12.288 -0.806 1.00 25.00 H new ATOM 0 HG2 ARG A 94 13.753 12.586 -0.963 1.00 25.00 H new ATOM 0 HG3 ARG A 94 13.712 11.861 -2.558 1.00 25.00 H new ATOM 0 HD2 ARG A 94 12.152 13.644 -3.320 1.00 25.00 H new ATOM 0 HD3 ARG A 94 12.217 14.373 -1.727 1.00 25.00 H new ATOM 0 HE ARG A 94 14.350 15.237 -2.184 1.00 25.00 H new ATOM 0 HH11 ARG A 94 13.421 12.944 -4.747 1.00 25.00 H new ATOM 0 HH12 ARG A 94 14.749 13.436 -5.803 1.00 25.00 H new ATOM 0 HH21 ARG A 94 16.027 15.832 -3.565 1.00 25.00 H new ATOM 0 HH22 ARG A 94 16.208 15.053 -5.141 1.00 25.00 H new ATOM 1473 N THR A 95 14.368 9.449 -1.329 1.00 25.00 N ATOM 1474 CA THR A 95 15.350 8.690 -2.110 1.00 25.00 C ATOM 1475 C THR A 95 15.186 7.177 -1.884 1.00 25.00 C ATOM 1476 O THR A 95 15.403 6.390 -2.806 1.00 25.00 O ATOM 1477 CB THR A 95 16.800 9.127 -1.766 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.058 8.906 -0.374 1.00 25.00 O ATOM 1479 CG2 THR A 95 17.036 10.605 -2.077 1.00 25.00 C ATOM 0 H THR A 95 14.763 9.939 -0.526 1.00 25.00 H new ATOM 0 HA THR A 95 15.166 8.905 -3.163 1.00 25.00 H new ATOM 0 HB THR A 95 17.474 8.530 -2.380 1.00 25.00 H new ATOM 0 HG1 THR A 95 18.014 9.030 -0.195 1.00 25.00 H new ATOM 0 HG21 THR A 95 18.062 10.871 -1.822 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.867 10.785 -3.139 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.347 11.214 -1.492 1.00 25.00 H new ATOM 1487 N VAL A 96 14.788 6.784 -0.660 1.00 25.00 N ATOM 1488 CA VAL A 96 14.517 5.370 -0.345 1.00 25.00 C ATOM 1489 C VAL A 96 13.169 4.957 -0.960 1.00 25.00 C ATOM 1490 O VAL A 96 13.142 4.116 -1.849 1.00 25.00 O ATOM 1491 CB VAL A 96 14.527 5.078 1.195 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.372 3.580 1.481 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.804 5.594 1.852 1.00 25.00 C ATOM 0 H VAL A 96 14.648 7.422 0.123 1.00 25.00 H new ATOM 0 HA VAL A 96 15.323 4.777 -0.778 1.00 25.00 H new ATOM 0 HB VAL A 96 13.675 5.607 1.622 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.383 3.412 2.558 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.427 3.227 1.068 1.00 25.00 H new ATOM 0 HG13 VAL A 96 15.196 3.035 1.020 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.778 5.375 2.919 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.668 5.105 1.402 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.879 6.671 1.704 1.00 25.00 H new ATOM 1503 N MET A 97 12.072 5.607 -0.524 1.00 25.00 N ATOM 1504 CA MET A 97 10.705 5.331 -1.020 1.00 25.00 C ATOM 1505 C MET A 97 10.598 5.312 -2.558 1.00 25.00 C ATOM 1506 O MET A 97 9.714 4.647 -3.103 1.00 25.00 O ATOM 1507 CB MET A 97 9.704 6.344 -0.426 1.00 25.00 C ATOM 1508 CG MET A 97 8.280 6.226 -0.897 1.00 25.00 C ATOM 1509 SD MET A 97 7.195 7.454 -0.140 1.00 25.00 S ATOM 1510 CE MET A 97 8.057 8.980 -0.480 1.00 25.00 C ATOM 0 H MET A 97 12.107 6.341 0.184 1.00 25.00 H new ATOM 0 HA MET A 97 10.456 4.324 -0.684 1.00 25.00 H new ATOM 0 HB2 MET A 97 9.715 6.241 0.659 1.00 25.00 H new ATOM 0 HB3 MET A 97 10.058 7.349 -0.654 1.00 25.00 H new ATOM 0 HG2 MET A 97 8.249 6.338 -1.981 1.00 25.00 H new ATOM 0 HG3 MET A 97 7.907 5.227 -0.669 1.00 25.00 H new ATOM 0 HE1 MET A 97 7.493 9.816 -0.066 1.00 25.00 H new ATOM 0 HE2 MET A 97 9.047 8.948 -0.024 1.00 25.00 H new ATOM 0 HE3 MET A 97 8.158 9.109 -1.558 1.00 25.00 H new ATOM 1520 N ASP A 98 11.492 6.037 -3.247 1.00 25.00 N ATOM 1521 CA ASP A 98 11.564 5.987 -4.718 1.00 25.00 C ATOM 1522 C ASP A 98 12.425 4.808 -5.205 1.00 25.00 C ATOM 1523 O ASP A 98 12.213 4.309 -6.311 1.00 25.00 O ATOM 1524 CB ASP A 98 12.123 7.312 -5.261 1.00 25.00 C ATOM 1525 CG ASP A 98 11.106 8.443 -5.234 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.916 8.165 -4.975 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.503 9.603 -5.473 1.00 25.00 O ATOM 0 H ASP A 98 12.172 6.662 -2.814 1.00 25.00 H new ATOM 0 HA ASP A 98 10.553 5.837 -5.098 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.994 7.600 -4.673 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.465 7.163 -6.285 1.00 25.00 H new ATOM 1532 N ASN A 99 13.390 4.375 -4.379 1.00 25.00 N ATOM 1533 CA ASN A 99 14.237 3.213 -4.694 1.00 25.00 C ATOM 1534 C ASN A 99 13.515 1.888 -4.407 1.00 25.00 C ATOM 1535 O ASN A 99 13.765 0.887 -5.086 1.00 25.00 O ATOM 1536 CB ASN A 99 15.558 3.271 -3.912 1.00 25.00 C ATOM 1537 CG ASN A 99 16.752 3.656 -4.778 1.00 25.00 C ATOM 1538 OD1 ASN A 99 17.018 3.041 -5.812 1.00 25.00 O ATOM 1539 ND2 ASN A 99 17.486 4.675 -4.346 1.00 25.00 N ATOM 0 H ASN A 99 13.604 4.814 -3.484 1.00 25.00 H new ATOM 0 HA ASN A 99 14.455 3.255 -5.761 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.460 3.990 -3.099 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.746 2.299 -3.457 1.00 25.00 H new ATOM 0 HD21 ASN A 99 18.304 4.975 -4.876 1.00 25.00 H new ATOM 0 HD22 ASN A 99 17.231 5.158 -3.484 1.00 25.00 H new ATOM 1546 N ILE A 100 12.617 1.890 -3.404 1.00 25.00 N ATOM 1547 CA ILE A 100 11.769 0.725 -3.107 1.00 25.00 C ATOM 1548 C ILE A 100 10.646 0.626 -4.165 1.00 25.00 C ATOM 1549 O ILE A 100 10.503 -0.405 -4.822 1.00 25.00 O ATOM 1550 CB ILE A 100 11.157 0.791 -1.653 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.249 0.842 -0.540 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.194 -0.370 -1.375 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.265 -0.296 -0.517 1.00 25.00 C ATOM 0 H ILE A 100 12.462 2.687 -2.787 1.00 25.00 H new ATOM 0 HA ILE A 100 12.393 -0.168 -3.147 1.00 25.00 H new ATOM 0 HB ILE A 100 10.596 1.725 -1.621 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.793 1.781 -0.642 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.747 0.868 0.427 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.799 -0.281 -0.363 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.371 -0.339 -2.089 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.726 -1.316 -1.475 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.967 -0.141 0.303 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.746 -1.244 -0.376 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.809 -0.317 -1.461 1.00 25.00 H new ATOM 1565 N LYS A 101 9.883 1.728 -4.331 1.00 25.00 N ATOM 1566 CA LYS A 101 8.784 1.826 -5.314 1.00 25.00 C ATOM 1567 C LYS A 101 9.236 1.480 -6.737 1.00 25.00 C ATOM 1568 O LYS A 101 8.523 0.783 -7.450 1.00 25.00 O ATOM 1569 CB LYS A 101 8.183 3.232 -5.275 1.00 25.00 C ATOM 1570 CG LYS A 101 7.013 3.432 -6.236 1.00 25.00 C ATOM 1571 CD LYS A 101 6.491 4.865 -6.215 1.00 25.00 C ATOM 1572 CE LYS A 101 5.340 5.100 -7.191 1.00 25.00 C ATOM 1573 NZ LYS A 101 4.935 6.533 -7.259 1.00 25.00 N ATOM 0 H LYS A 101 10.014 2.579 -3.784 1.00 25.00 H new ATOM 0 HA LYS A 101 8.028 1.092 -5.036 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.847 3.445 -4.260 1.00 25.00 H new ATOM 0 HB3 LYS A 101 8.962 3.956 -5.511 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.328 3.176 -7.248 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.206 2.749 -5.971 1.00 25.00 H new ATOM 0 HD2 LYS A 101 6.159 5.109 -5.206 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.308 5.546 -6.455 1.00 25.00 H new ATOM 0 HE2 LYS A 101 5.635 4.761 -8.184 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.483 4.497 -6.890 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 4.151 6.641 -7.934 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.628 6.852 -6.318 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 5.743 7.108 -7.572 1.00 25.00 H new ATOM 1587 N MET A 102 10.425 1.960 -7.129 1.00 25.00 N ATOM 1588 CA MET A 102 11.015 1.643 -8.441 1.00 25.00 C ATOM 1589 C MET A 102 11.133 0.129 -8.657 1.00 25.00 C ATOM 1590 O MET A 102 10.628 -0.386 -9.653 1.00 25.00 O ATOM 1591 CB MET A 102 12.361 2.345 -8.572 1.00 25.00 C ATOM 1592 CG MET A 102 13.141 2.006 -9.846 1.00 25.00 C ATOM 1593 SD MET A 102 14.830 2.656 -9.873 1.00 25.00 S ATOM 1594 CE MET A 102 15.654 1.598 -8.684 1.00 25.00 C ATOM 0 H MET A 102 11.001 2.573 -6.553 1.00 25.00 H new ATOM 0 HA MET A 102 10.354 2.011 -9.225 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.198 3.422 -8.539 1.00 25.00 H new ATOM 0 HB3 MET A 102 12.974 2.088 -7.708 1.00 25.00 H new ATOM 0 HG2 MET A 102 13.178 0.923 -9.959 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.599 2.398 -10.706 1.00 25.00 H new ATOM 0 HE1 MET A 102 16.731 1.754 -8.743 1.00 25.00 H new ATOM 0 HE2 MET A 102 15.307 1.840 -7.680 1.00 25.00 H new ATOM 0 HE3 MET A 102 15.426 0.555 -8.905 1.00 25.00 H new ATOM 1604 N THR A 103 11.788 -0.573 -7.715 1.00 25.00 N ATOM 1605 CA THR A 103 11.885 -2.042 -7.762 1.00 25.00 C ATOM 1606 C THR A 103 10.479 -2.661 -7.847 1.00 25.00 C ATOM 1607 O THR A 103 10.170 -3.327 -8.828 1.00 25.00 O ATOM 1608 CB THR A 103 12.659 -2.614 -6.542 1.00 25.00 C ATOM 1609 OG1 THR A 103 13.999 -2.105 -6.534 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.713 -4.148 -6.568 1.00 25.00 C ATOM 0 H THR A 103 12.256 -0.148 -6.915 1.00 25.00 H new ATOM 0 HA THR A 103 12.450 -2.308 -8.655 1.00 25.00 H new ATOM 0 HB THR A 103 12.127 -2.303 -5.643 1.00 25.00 H new ATOM 0 HG1 THR A 103 14.009 -1.217 -6.120 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.263 -4.508 -5.698 1.00 25.00 H new ATOM 0 HG22 THR A 103 11.699 -4.548 -6.548 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.215 -4.479 -7.477 1.00 25.00 H new ATOM 1618 N LEU A 104 9.623 -2.356 -6.848 1.00 25.00 N ATOM 1619 CA LEU A 104 8.210 -2.785 -6.815 1.00 25.00 C ATOM 1620 C LEU A 104 7.551 -2.598 -8.185 1.00 25.00 C ATOM 1621 O LEU A 104 7.161 -3.563 -8.827 1.00 25.00 O ATOM 1622 CB LEU A 104 7.437 -1.950 -5.763 1.00 25.00 C ATOM 1623 CG LEU A 104 7.825 -2.158 -4.291 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.079 -1.180 -3.394 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.523 -3.570 -3.824 1.00 25.00 C ATOM 0 H LEU A 104 9.896 -1.801 -6.037 1.00 25.00 H new ATOM 0 HA LEU A 104 8.179 -3.842 -6.551 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.569 -0.895 -6.003 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.375 -2.170 -5.869 1.00 25.00 H new ATOM 0 HG LEU A 104 8.899 -1.984 -4.221 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.369 -1.345 -2.356 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.328 -0.159 -3.683 1.00 25.00 H new ATOM 0 HD13 LEU A 104 6.005 -1.335 -3.500 1.00 25.00 H new ATOM 0 HD21 LEU A 104 7.812 -3.677 -2.778 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.456 -3.767 -3.928 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.084 -4.281 -4.430 1.00 25.00 H new ATOM 1637 N GLN A 105 7.521 -1.342 -8.642 1.00 25.00 N ATOM 1638 CA GLN A 105 6.952 -0.955 -9.952 1.00 25.00 C ATOM 1639 C GLN A 105 7.530 -1.768 -11.125 1.00 25.00 C ATOM 1640 O GLN A 105 6.859 -1.965 -12.142 1.00 25.00 O ATOM 1641 CB GLN A 105 7.210 0.538 -10.203 1.00 25.00 C ATOM 1642 CG GLN A 105 6.499 1.094 -11.426 1.00 25.00 C ATOM 1643 CD GLN A 105 6.582 2.601 -11.517 1.00 25.00 C ATOM 1644 OE1 GLN A 105 7.205 3.256 -10.680 1.00 25.00 O ATOM 1645 NE2 GLN A 105 5.917 3.158 -12.518 1.00 25.00 N ATOM 0 H GLN A 105 7.893 -0.553 -8.114 1.00 25.00 H new ATOM 0 HA GLN A 105 5.883 -1.165 -9.906 1.00 25.00 H new ATOM 0 HB2 GLN A 105 6.895 1.103 -9.325 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.282 0.696 -10.316 1.00 25.00 H new ATOM 0 HG2 GLN A 105 6.934 0.656 -12.324 1.00 25.00 H new ATOM 0 HG3 GLN A 105 5.452 0.793 -11.400 1.00 25.00 H new ATOM 0 HE21 GLN A 105 5.416 2.572 -13.186 1.00 25.00 H new ATOM 0 HE22 GLN A 105 5.906 4.173 -12.621 1.00 25.00 H new ATOM 1654 N GLN A 106 8.775 -2.229 -10.963 1.00 25.00 N ATOM 1655 CA GLN A 106 9.463 -3.037 -11.975 1.00 25.00 C ATOM 1656 C GLN A 106 9.127 -4.529 -11.810 1.00 25.00 C ATOM 1657 O GLN A 106 9.289 -5.313 -12.747 1.00 25.00 O ATOM 1658 CB GLN A 106 10.982 -2.789 -11.889 1.00 25.00 C ATOM 1659 CG GLN A 106 11.417 -1.427 -12.437 1.00 25.00 C ATOM 1660 CD GLN A 106 11.411 -1.367 -13.954 1.00 25.00 C ATOM 1661 OE1 GLN A 106 11.935 -2.258 -14.625 1.00 25.00 O ATOM 1662 NE2 GLN A 106 10.823 -0.310 -14.504 1.00 25.00 N ATOM 0 H GLN A 106 9.333 -2.053 -10.128 1.00 25.00 H new ATOM 0 HA GLN A 106 9.118 -2.738 -12.965 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.295 -2.868 -10.848 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.501 -3.574 -12.439 1.00 25.00 H new ATOM 0 HG2 GLN A 106 10.753 -0.656 -12.046 1.00 25.00 H new ATOM 0 HG3 GLN A 106 12.419 -1.199 -12.074 1.00 25.00 H new ATOM 0 HE21 GLN A 106 10.401 0.405 -13.911 1.00 25.00 H new ATOM 0 HE22 GLN A 106 10.793 -0.214 -15.519 1.00 25.00 H new ATOM 1671 N ILE A 107 8.661 -4.899 -10.604 1.00 25.00 N ATOM 1672 CA ILE A 107 8.201 -6.262 -10.297 1.00 25.00 C ATOM 1673 C ILE A 107 6.728 -6.477 -10.730 1.00 25.00 C ATOM 1674 O ILE A 107 6.399 -7.536 -11.271 1.00 25.00 O ATOM 1675 CB ILE A 107 8.380 -6.578 -8.765 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.891 -6.612 -8.400 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.674 -7.884 -8.374 1.00 25.00 C ATOM 1678 CD1 ILE A 107 10.225 -6.667 -6.909 1.00 25.00 C ATOM 0 H ILE A 107 8.593 -4.258 -9.813 1.00 25.00 H new ATOM 0 HA ILE A 107 8.819 -6.954 -10.869 1.00 25.00 H new ATOM 0 HB ILE A 107 7.907 -5.781 -8.191 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.341 -7.479 -8.884 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.366 -5.728 -8.825 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.818 -8.071 -7.310 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.608 -7.799 -8.586 1.00 25.00 H new ATOM 0 HG23 ILE A 107 8.094 -8.710 -8.948 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.307 -6.687 -6.779 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.816 -5.787 -6.412 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.790 -7.566 -6.472 1.00 25.00 H new ATOM 1690 N ILE A 108 5.855 -5.482 -10.485 1.00 25.00 N ATOM 1691 CA ILE A 108 4.414 -5.595 -10.822 1.00 25.00 C ATOM 1692 C ILE A 108 4.203 -5.567 -12.338 1.00 25.00 C ATOM 1693 O ILE A 108 3.298 -6.222 -12.854 1.00 25.00 O ATOM 1694 CB ILE A 108 3.559 -4.478 -10.141 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.625 -4.648 -8.623 1.00 25.00 C ATOM 1696 CG2 ILE A 108 2.092 -4.535 -10.604 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.423 -3.378 -7.830 1.00 25.00 C ATOM 0 H ILE A 108 6.115 -4.593 -10.057 1.00 25.00 H new ATOM 0 HA ILE A 108 4.075 -6.555 -10.433 1.00 25.00 H new ATOM 0 HB ILE A 108 3.966 -3.509 -10.429 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.869 -5.372 -8.320 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.595 -5.072 -8.362 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.524 -3.745 -10.112 1.00 25.00 H new ATOM 0 HG22 ILE A 108 2.046 -4.396 -11.684 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.666 -5.504 -10.344 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.487 -3.600 -6.765 1.00 25.00 H new ATOM 0 HD12 ILE A 108 4.194 -2.656 -8.097 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.442 -2.961 -8.055 1.00 25.00 H new ATOM 1709 N SER A 109 5.051 -4.803 -13.028 1.00 25.00 N ATOM 1710 CA SER A 109 5.058 -4.751 -14.502 1.00 25.00 C ATOM 1711 C SER A 109 5.457 -6.109 -15.116 1.00 25.00 C ATOM 1712 O SER A 109 5.219 -6.356 -16.301 1.00 25.00 O ATOM 1713 CB SER A 109 6.002 -3.645 -14.988 1.00 25.00 C ATOM 1714 OG SER A 109 7.354 -3.936 -14.670 1.00 25.00 O ATOM 0 H SER A 109 5.751 -4.204 -12.590 1.00 25.00 H new ATOM 0 HA SER A 109 4.045 -4.525 -14.833 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.899 -3.525 -16.067 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.717 -2.696 -14.533 1.00 25.00 H new ATOM 0 HG SER A 109 7.929 -3.212 -14.995 1.00 25.00 H new ATOM 1720 N ARG A 110 6.065 -6.977 -14.285 1.00 25.00 N ATOM 1721 CA ARG A 110 6.381 -8.362 -14.675 1.00 25.00 C ATOM 1722 C ARG A 110 5.136 -9.256 -14.565 1.00 25.00 C ATOM 1723 O ARG A 110 4.912 -10.125 -15.413 1.00 25.00 O ATOM 1724 CB ARG A 110 7.507 -8.942 -13.801 1.00 25.00 C ATOM 1725 CG ARG A 110 8.881 -8.334 -14.055 1.00 25.00 C ATOM 1726 CD ARG A 110 9.924 -8.882 -13.096 1.00 25.00 C ATOM 1727 NE ARG A 110 11.240 -8.266 -13.308 1.00 25.00 N ATOM 1728 CZ ARG A 110 12.290 -8.394 -12.480 1.00 25.00 C ATOM 1729 NH1 ARG A 110 12.208 -9.124 -11.370 1.00 25.00 N ATOM 1730 NH2 ARG A 110 13.430 -7.787 -12.775 1.00 25.00 N ATOM 0 H ARG A 110 6.348 -6.740 -13.334 1.00 25.00 H new ATOM 0 HA ARG A 110 6.717 -8.341 -15.712 1.00 25.00 H new ATOM 0 HB2 ARG A 110 7.247 -8.796 -12.752 1.00 25.00 H new ATOM 0 HB3 ARG A 110 7.563 -10.018 -13.969 1.00 25.00 H new ATOM 0 HG2 ARG A 110 9.186 -8.540 -15.081 1.00 25.00 H new ATOM 0 HG3 ARG A 110 8.824 -7.250 -13.951 1.00 25.00 H new ATOM 0 HD2 ARG A 110 9.602 -8.706 -12.070 1.00 25.00 H new ATOM 0 HD3 ARG A 110 10.004 -9.962 -13.224 1.00 25.00 H new ATOM 0 HE ARG A 110 11.366 -7.699 -14.146 1.00 25.00 H new ATOM 0 HH11 ARG A 110 11.336 -9.599 -11.135 1.00 25.00 H new ATOM 0 HH12 ARG A 110 13.017 -9.209 -10.754 1.00 25.00 H new ATOM 0 HH21 ARG A 110 13.505 -7.228 -13.625 1.00 25.00 H new ATOM 0 HH22 ARG A 110 14.233 -7.879 -12.152 1.00 25.00 H new ATOM 1744 N TYR A 111 4.332 -9.030 -13.508 1.00 25.00 N ATOM 1745 CA TYR A 111 3.055 -9.737 -13.317 1.00 25.00 C ATOM 1746 C TYR A 111 1.910 -9.023 -14.045 1.00 25.00 C ATOM 1747 O TYR A 111 0.769 -9.497 -14.055 1.00 25.00 O ATOM 1748 CB TYR A 111 2.733 -9.868 -11.823 1.00 25.00 C ATOM 1749 CG TYR A 111 3.788 -10.630 -11.047 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.714 -9.963 -10.256 1.00 25.00 C ATOM 1751 CD2 TYR A 111 3.867 -12.020 -11.122 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.685 -10.655 -9.564 1.00 25.00 C ATOM 1753 CE2 TYR A 111 4.834 -12.716 -10.429 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.701 -12.022 -9.597 1.00 25.00 C ATOM 1755 OH TYR A 111 6.710 -12.719 -8.969 1.00 25.00 O ATOM 0 H TYR A 111 4.548 -8.359 -12.771 1.00 25.00 H new ATOM 0 HA TYR A 111 3.158 -10.734 -13.745 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.624 -8.872 -11.393 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.773 -10.371 -11.708 1.00 25.00 H new ATOM 0 HD1 TYR A 111 4.673 -8.886 -10.182 1.00 25.00 H new ATOM 0 HD2 TYR A 111 3.159 -12.560 -11.733 1.00 25.00 H new ATOM 0 HE1 TYR A 111 6.431 -10.119 -8.997 1.00 25.00 H new ATOM 0 HE2 TYR A 111 4.916 -13.788 -10.532 1.00 25.00 H new ATOM 0 HH TYR A 111 7.530 -12.183 -8.974 1.00 25.00 H new ATOM 1765 N LYS A 112 2.243 -7.882 -14.660 1.00 25.00 N ATOM 1766 CA LYS A 112 1.299 -7.088 -15.441 1.00 25.00 C ATOM 1767 C LYS A 112 1.253 -7.598 -16.889 1.00 25.00 C ATOM 1768 O LYS A 112 0.233 -7.475 -17.573 1.00 25.00 O ATOM 1769 CB LYS A 112 1.732 -5.618 -15.401 1.00 25.00 C ATOM 1770 CG LYS A 112 0.843 -4.677 -16.212 1.00 25.00 C ATOM 1771 CD LYS A 112 -0.620 -4.653 -15.728 1.00 25.00 C ATOM 1772 CE LYS A 112 -1.523 -3.692 -16.518 1.00 25.00 C ATOM 1773 NZ LYS A 112 -1.752 -4.143 -17.921 1.00 25.00 N ATOM 0 H LYS A 112 3.182 -7.485 -14.627 1.00 25.00 H new ATOM 0 HA LYS A 112 0.299 -7.180 -15.017 1.00 25.00 H new ATOM 0 HB2 LYS A 112 1.744 -5.283 -14.364 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.754 -5.543 -15.772 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.252 -3.668 -16.161 1.00 25.00 H new ATOM 0 HG3 LYS A 112 0.867 -4.978 -17.259 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -1.031 -5.660 -15.796 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -0.639 -4.371 -14.675 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -2.482 -3.600 -16.009 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -1.071 -2.700 -16.528 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -2.366 -3.461 -18.409 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -0.841 -4.206 -18.418 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -2.209 -5.077 -17.915 1.00 25.00 H new