USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 13 GLN : amide:sc= 0.0266 K(o=0.19,f=-0.75) USER MOD Set 1.2: A 88 SER OG : rot -64:sc= 0.164 USER MOD Set 2.1: A 55 TYR OH : rot 180:sc= -0.0687 USER MOD Set 2.2: A 79 TYR OH : rot -21:sc= 1.03 USER MOD Single : A 9 MET CE :methyl 152:sc= -0.109 (180deg=-0.404) USER MOD Single : A 11 THR OG1 : rot 170:sc= -0.344 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 54:sc= 0.0473 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.0058) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0719 K(o=-0.072,f=0.86) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -3.86 X(o=-3.9,f=-4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= -3.3 (180deg=-3.43) USER MOD Single : A 80 SER OG : rot 170:sc= -1.61 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 130:sc= 0.00443 USER MOD Single : A 84 THR OG1 : rot 130:sc= -2.55 USER MOD Single : A 87 GLN : amide:sc= -2.61 K(o=-2.6,f=-8.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.702 -3.110 -1.987 1.00 0.00 N ATOM 60 CA GLY A 7 -19.265 -3.058 -2.186 1.00 0.00 C ATOM 61 C GLY A 7 -18.545 -2.384 -1.035 1.00 0.00 C ATOM 62 O GLY A 7 -19.151 -2.082 -0.006 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.881 -4.071 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.048 -2.522 -3.110 1.00 0.00 H new ATOM 66 N ILE A 8 -17.249 -2.147 -1.207 1.00 0.00 N ATOM 67 CA ILE A 8 -16.446 -1.505 -0.174 1.00 0.00 C ATOM 68 C ILE A 8 -15.904 -0.163 -0.654 1.00 0.00 C ATOM 69 O ILE A 8 -15.303 -0.072 -1.724 1.00 0.00 O ATOM 70 CB ILE A 8 -15.268 -2.397 0.259 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.785 -3.697 0.878 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.375 -1.654 1.243 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.756 -4.806 0.899 1.00 0.00 C ATOM 0 H ILE A 8 -16.733 -2.390 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.102 -1.344 0.681 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.677 -2.646 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.115 -3.499 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.659 -4.033 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.547 -2.297 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.983 -0.753 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.955 -1.379 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.191 -5.697 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.444 -5.032 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.891 -4.489 1.482 1.00 0.00 H new ATOM 85 N MET A 9 -16.120 0.877 0.146 1.00 0.00 N ATOM 86 CA MET A 9 -15.649 2.214 -0.197 1.00 0.00 C ATOM 87 C MET A 9 -14.476 2.621 0.689 1.00 0.00 C ATOM 88 O MET A 9 -14.467 2.347 1.889 1.00 0.00 O ATOM 89 CB MET A 9 -16.786 3.229 -0.056 1.00 0.00 C ATOM 90 CG MET A 9 -18.087 2.777 -0.699 1.00 0.00 C ATOM 91 SD MET A 9 -17.915 2.457 -2.465 1.00 0.00 S ATOM 92 CE MET A 9 -18.803 0.909 -2.616 1.00 0.00 C ATOM 0 H MET A 9 -16.617 0.819 1.035 1.00 0.00 H new ATOM 0 HA MET A 9 -15.310 2.199 -1.233 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.961 3.422 1.002 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.477 4.173 -0.505 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.438 1.872 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.849 3.541 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.217 0.824 -3.621 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.121 0.079 -2.433 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.612 0.881 -1.886 1.00 0.00 H new ATOM 102 N VAL A 10 -13.487 3.276 0.089 1.00 0.00 N ATOM 103 CA VAL A 10 -12.309 3.721 0.823 1.00 0.00 C ATOM 104 C VAL A 10 -12.565 5.053 1.519 1.00 0.00 C ATOM 105 O VAL A 10 -12.473 6.116 0.904 1.00 0.00 O ATOM 106 CB VAL A 10 -11.089 3.866 -0.107 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.901 4.434 0.655 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.738 2.527 -0.737 1.00 0.00 C ATOM 0 H VAL A 10 -13.479 3.510 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.097 2.958 1.572 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.344 4.562 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.049 4.529 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.160 5.415 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.642 3.765 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.874 2.648 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.502 1.807 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.586 2.165 -1.319 1.00 0.00 H new ATOM 118 N THR A 11 -12.888 4.989 2.807 1.00 0.00 N ATOM 119 CA THR A 11 -13.159 6.190 3.587 1.00 0.00 C ATOM 120 C THR A 11 -11.906 7.045 3.733 1.00 0.00 C ATOM 121 O THR A 11 -11.936 8.254 3.498 1.00 0.00 O ATOM 122 CB THR A 11 -13.694 5.840 4.989 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.698 5.125 5.729 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.960 5.002 4.891 1.00 0.00 C ATOM 0 H THR A 11 -12.968 4.118 3.332 1.00 0.00 H new ATOM 0 HA THR A 11 -13.919 6.754 3.046 1.00 0.00 H new ATOM 0 HB THR A 11 -13.932 6.770 5.506 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.979 5.047 6.665 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.319 4.767 5.893 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.726 5.561 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.743 4.077 4.357 1.00 0.00 H new ATOM 132 N LYS A 12 -10.805 6.412 4.121 1.00 0.00 N ATOM 133 CA LYS A 12 -9.539 7.114 4.297 1.00 0.00 C ATOM 134 C LYS A 12 -8.589 6.820 3.140 1.00 0.00 C ATOM 135 O LYS A 12 -7.997 5.744 3.070 1.00 0.00 O ATOM 136 CB LYS A 12 -8.887 6.710 5.621 1.00 0.00 C ATOM 137 CG LYS A 12 -7.533 7.357 5.855 1.00 0.00 C ATOM 138 CD LYS A 12 -6.937 6.936 7.188 1.00 0.00 C ATOM 139 CE LYS A 12 -7.353 7.878 8.307 1.00 0.00 C ATOM 140 NZ LYS A 12 -6.502 9.100 8.348 1.00 0.00 N ATOM 0 H LYS A 12 -10.763 5.412 4.320 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.745 8.184 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.554 6.976 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.771 5.626 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.853 7.082 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.637 8.442 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.257 5.922 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.850 6.917 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.395 8.166 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.288 7.358 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.817 9.717 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.510 8.827 8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.584 9.610 7.445 1.00 0.00 H new ATOM 154 N GLN A 13 -8.448 7.785 2.236 1.00 0.00 N ATOM 155 CA GLN A 13 -7.569 7.628 1.084 1.00 0.00 C ATOM 156 C GLN A 13 -6.104 7.680 1.505 1.00 0.00 C ATOM 157 O GLN A 13 -5.774 8.178 2.582 1.00 0.00 O ATOM 158 CB GLN A 13 -7.853 8.718 0.048 1.00 0.00 C ATOM 159 CG GLN A 13 -9.208 8.578 -0.626 1.00 0.00 C ATOM 160 CD GLN A 13 -9.152 7.728 -1.880 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.277 7.908 -2.727 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.089 6.796 -2.005 1.00 0.00 N ATOM 0 H GLN A 13 -8.931 8.682 2.280 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.765 6.652 0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.797 9.692 0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.074 8.696 -0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.915 8.136 0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.587 9.568 -0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.795 6.682 -1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.103 6.194 -2.828 1.00 0.00 H new ATOM 171 N LEU A 14 -5.229 7.162 0.650 1.00 0.00 N ATOM 172 CA LEU A 14 -3.798 7.149 0.934 1.00 0.00 C ATOM 173 C LEU A 14 -3.205 8.549 0.810 1.00 0.00 C ATOM 174 O LEU A 14 -3.634 9.342 -0.028 1.00 0.00 O ATOM 175 CB LEU A 14 -3.078 6.192 -0.018 1.00 0.00 C ATOM 176 CG LEU A 14 -3.482 4.720 0.079 1.00 0.00 C ATOM 177 CD1 LEU A 14 -2.881 3.925 -1.070 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.053 4.135 1.416 1.00 0.00 C ATOM 0 H LEU A 14 -5.485 6.746 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.659 6.805 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.251 6.529 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.006 6.267 0.165 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.568 4.656 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.179 2.880 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.239 4.328 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.794 3.996 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.349 3.087 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.970 4.211 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.532 4.687 2.225 1.00 0.00 H new ATOM 190 N GLU A 15 -2.216 8.844 1.647 1.00 0.00 N ATOM 191 CA GLU A 15 -1.564 10.148 1.629 1.00 0.00 C ATOM 192 C GLU A 15 -0.118 10.027 1.156 1.00 0.00 C ATOM 193 O GLU A 15 0.602 9.111 1.553 1.00 0.00 O ATOM 194 CB GLU A 15 -1.604 10.782 3.021 1.00 0.00 C ATOM 195 CG GLU A 15 -3.008 11.124 3.494 1.00 0.00 C ATOM 196 CD GLU A 15 -3.021 12.235 4.525 1.00 0.00 C ATOM 197 OE1 GLU A 15 -3.020 13.418 4.122 1.00 0.00 O ATOM 198 OE2 GLU A 15 -3.033 11.924 5.734 1.00 0.00 O ATOM 0 H GLU A 15 -1.849 8.198 2.346 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.105 10.786 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.145 10.099 3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.000 11.690 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.614 11.421 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.471 10.234 3.919 1.00 0.00 H new ATOM 205 N ASP A 16 0.298 10.956 0.303 1.00 0.00 N ATOM 206 CA ASP A 16 1.657 10.955 -0.225 1.00 0.00 C ATOM 207 C ASP A 16 2.679 10.848 0.903 1.00 0.00 C ATOM 208 O ASP A 16 2.669 11.645 1.842 1.00 0.00 O ATOM 209 CB ASP A 16 1.911 12.223 -1.041 1.00 0.00 C ATOM 210 CG ASP A 16 3.375 12.620 -1.055 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.821 13.277 -0.092 1.00 0.00 O ATOM 212 OD2 ASP A 16 4.074 12.271 -2.030 1.00 0.00 O ATOM 0 H ASP A 16 -0.286 11.719 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 16 1.767 10.086 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.570 12.067 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.320 13.041 -0.629 1.00 0.00 H new ATOM 217 N THR A 17 3.560 9.857 0.805 1.00 0.00 N ATOM 218 CA THR A 17 4.587 9.645 1.817 1.00 0.00 C ATOM 219 C THR A 17 5.982 9.849 1.237 1.00 0.00 C ATOM 220 O THR A 17 6.241 9.511 0.082 1.00 0.00 O ATOM 221 CB THR A 17 4.496 8.230 2.420 1.00 0.00 C ATOM 222 OG1 THR A 17 3.231 8.053 3.066 1.00 0.00 O ATOM 223 CG2 THR A 17 5.619 7.995 3.419 1.00 0.00 C ATOM 0 H THR A 17 3.583 9.189 0.035 1.00 0.00 H new ATOM 0 HA THR A 17 4.413 10.380 2.603 1.00 0.00 H new ATOM 0 HB THR A 17 4.594 7.507 1.610 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.510 8.271 2.439 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.534 6.990 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.581 8.101 2.917 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.548 8.725 4.225 1.00 0.00 H new ATOM 231 N THR A 18 6.878 10.405 2.046 1.00 0.00 N ATOM 232 CA THR A 18 8.247 10.655 1.613 1.00 0.00 C ATOM 233 C THR A 18 9.251 10.047 2.586 1.00 0.00 C ATOM 234 O THR A 18 9.483 10.583 3.669 1.00 0.00 O ATOM 235 CB THR A 18 8.527 12.164 1.480 1.00 0.00 C ATOM 236 OG1 THR A 18 7.530 12.777 0.655 1.00 0.00 O ATOM 237 CG2 THR A 18 9.906 12.408 0.885 1.00 0.00 C ATOM 0 H THR A 18 6.680 10.691 3.005 1.00 0.00 H new ATOM 0 HA THR A 18 8.361 10.184 0.636 1.00 0.00 H new ATOM 0 HB THR A 18 8.495 12.606 2.476 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.714 13.736 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.081 13.480 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.664 11.966 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.961 11.952 -0.104 1.00 0.00 H new ATOM 245 N ALA A 19 9.846 8.926 2.191 1.00 0.00 N ATOM 246 CA ALA A 19 10.827 8.247 3.028 1.00 0.00 C ATOM 247 C ALA A 19 12.210 8.275 2.385 1.00 0.00 C ATOM 248 O ALA A 19 12.374 8.757 1.263 1.00 0.00 O ATOM 249 CB ALA A 19 10.395 6.812 3.290 1.00 0.00 C ATOM 0 H ALA A 19 9.666 8.469 1.297 1.00 0.00 H new ATOM 0 HA ALA A 19 10.885 8.777 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.137 6.317 3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.431 6.809 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.307 6.280 2.343 1.00 0.00 H new ATOM 255 N TYR A 20 13.201 7.758 3.102 1.00 0.00 N ATOM 256 CA TYR A 20 14.571 7.727 2.602 1.00 0.00 C ATOM 257 C TYR A 20 14.971 6.312 2.197 1.00 0.00 C ATOM 258 O TYR A 20 14.317 5.338 2.572 1.00 0.00 O ATOM 259 CB TYR A 20 15.535 8.258 3.664 1.00 0.00 C ATOM 260 CG TYR A 20 15.269 9.693 4.060 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.571 10.740 3.198 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.715 10.001 5.297 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.331 12.052 3.557 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.470 11.310 5.663 1.00 0.00 C ATOM 265 CZ TYR A 20 14.780 12.332 4.790 1.00 0.00 C ATOM 266 OH TYR A 20 14.537 13.638 5.150 1.00 0.00 O ATOM 0 H TYR A 20 13.082 7.355 4.031 1.00 0.00 H new ATOM 0 HA TYR A 20 14.624 8.366 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.469 7.627 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.555 8.176 3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 20 16.001 10.524 2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.472 9.203 5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.573 12.854 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 20 14.038 11.532 6.628 1.00 0.00 H new ATOM 0 HH TYR A 20 14.146 13.662 6.048 1.00 0.00 H new ATOM 276 N CYS A 21 16.051 6.207 1.430 1.00 0.00 N ATOM 277 CA CYS A 21 16.541 4.911 0.973 1.00 0.00 C ATOM 278 C CYS A 21 16.847 3.998 2.156 1.00 0.00 C ATOM 279 O CYS A 21 17.870 4.150 2.823 1.00 0.00 O ATOM 280 CB CYS A 21 17.793 5.090 0.114 1.00 0.00 C ATOM 281 SG CYS A 21 18.424 3.553 -0.599 1.00 0.00 S ATOM 0 H CYS A 21 16.604 7.003 1.112 1.00 0.00 H new ATOM 0 HA CYS A 21 15.760 4.446 0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.570 5.788 -0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.576 5.544 0.721 1.00 0.00 H new ATOM 0 HG CYS A 21 19.482 3.807 -1.310 1.00 0.00 H new ATOM 287 N GLY A 22 15.952 3.048 2.411 1.00 0.00 N ATOM 288 CA GLY A 22 16.144 2.125 3.514 1.00 0.00 C ATOM 289 C GLY A 22 15.117 2.314 4.613 1.00 0.00 C ATOM 290 O GLY A 22 14.865 1.400 5.399 1.00 0.00 O ATOM 0 H GLY A 22 15.098 2.901 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.089 1.102 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.143 2.261 3.927 1.00 0.00 H new ATOM 294 N GLU A 23 14.525 3.502 4.670 1.00 0.00 N ATOM 295 CA GLU A 23 13.522 3.808 5.683 1.00 0.00 C ATOM 296 C GLU A 23 12.321 2.874 5.559 1.00 0.00 C ATOM 297 O GLU A 23 12.157 2.188 4.550 1.00 0.00 O ATOM 298 CB GLU A 23 13.065 5.263 5.559 1.00 0.00 C ATOM 299 CG GLU A 23 13.880 6.231 6.399 1.00 0.00 C ATOM 300 CD GLU A 23 14.066 5.751 7.826 1.00 0.00 C ATOM 301 OE1 GLU A 23 13.187 6.033 8.666 1.00 0.00 O ATOM 302 OE2 GLU A 23 15.091 5.093 8.102 1.00 0.00 O ATOM 0 H GLU A 23 14.722 4.269 4.027 1.00 0.00 H new ATOM 0 HA GLU A 23 13.976 3.660 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.123 5.565 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.018 5.332 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.857 6.373 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.387 7.203 6.408 1.00 0.00 H new ATOM 309 N ARG A 24 11.486 2.852 6.593 1.00 0.00 N ATOM 310 CA ARG A 24 10.302 2.002 6.601 1.00 0.00 C ATOM 311 C ARG A 24 9.043 2.821 6.335 1.00 0.00 C ATOM 312 O ARG A 24 8.705 3.726 7.099 1.00 0.00 O ATOM 313 CB ARG A 24 10.178 1.277 7.942 1.00 0.00 C ATOM 314 CG ARG A 24 8.863 0.535 8.114 1.00 0.00 C ATOM 315 CD ARG A 24 8.450 0.464 9.576 1.00 0.00 C ATOM 316 NE ARG A 24 7.671 -0.736 9.868 1.00 0.00 N ATOM 317 CZ ARG A 24 8.212 -1.935 10.058 1.00 0.00 C ATOM 318 NH1 ARG A 24 9.527 -2.091 9.989 1.00 0.00 N ATOM 319 NH2 ARG A 24 7.438 -2.980 10.320 1.00 0.00 N ATOM 0 H ARG A 24 11.608 3.413 7.436 1.00 0.00 H new ATOM 0 HA ARG A 24 10.409 1.265 5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.001 0.569 8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.284 2.002 8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.084 1.035 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.958 -0.474 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.340 0.480 10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.864 1.347 9.830 1.00 0.00 H new ATOM 0 HE ARG A 24 6.657 -0.649 9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.126 -1.290 9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.940 -3.012 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.426 -2.864 10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.855 -3.900 10.466 1.00 0.00 H new ATOM 333 N VAL A 25 8.351 2.498 5.247 1.00 0.00 N ATOM 334 CA VAL A 25 7.129 3.203 4.880 1.00 0.00 C ATOM 335 C VAL A 25 5.898 2.493 5.432 1.00 0.00 C ATOM 336 O VAL A 25 5.829 1.264 5.438 1.00 0.00 O ATOM 337 CB VAL A 25 6.991 3.331 3.351 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.739 4.115 2.991 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.230 3.986 2.759 1.00 0.00 C ATOM 0 H VAL A 25 8.616 1.752 4.604 1.00 0.00 H new ATOM 0 HA VAL A 25 7.197 4.200 5.316 1.00 0.00 H new ATOM 0 HB VAL A 25 6.898 2.331 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.659 4.195 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.862 3.600 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.797 5.113 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.116 4.069 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.356 4.980 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.106 3.379 2.986 1.00 0.00 H new ATOM 349 N GLU A 26 4.928 3.275 5.896 1.00 0.00 N ATOM 350 CA GLU A 26 3.699 2.719 6.451 1.00 0.00 C ATOM 351 C GLU A 26 2.476 3.438 5.890 1.00 0.00 C ATOM 352 O GLU A 26 2.154 4.554 6.301 1.00 0.00 O ATOM 353 CB GLU A 26 3.710 2.823 7.977 1.00 0.00 C ATOM 354 CG GLU A 26 4.494 1.713 8.657 1.00 0.00 C ATOM 355 CD GLU A 26 4.120 1.544 10.117 1.00 0.00 C ATOM 356 OE1 GLU A 26 3.871 2.568 10.787 1.00 0.00 O ATOM 357 OE2 GLU A 26 4.076 0.389 10.588 1.00 0.00 O ATOM 0 H GLU A 26 4.969 4.294 5.899 1.00 0.00 H new ATOM 0 HA GLU A 26 3.644 1.668 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.135 3.785 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.683 2.807 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.319 0.775 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.560 1.927 8.581 1.00 0.00 H new ATOM 364 N LEU A 27 1.797 2.792 4.949 1.00 0.00 N ATOM 365 CA LEU A 27 0.608 3.368 4.330 1.00 0.00 C ATOM 366 C LEU A 27 -0.657 2.901 5.042 1.00 0.00 C ATOM 367 O LEU A 27 -1.036 1.734 4.952 1.00 0.00 O ATOM 368 CB LEU A 27 0.545 2.988 2.850 1.00 0.00 C ATOM 369 CG LEU A 27 1.816 3.236 2.038 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.664 2.690 0.627 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.146 4.721 2.004 1.00 0.00 C ATOM 0 H LEU A 27 2.049 1.868 4.597 1.00 0.00 H new ATOM 0 HA LEU A 27 0.672 4.453 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.293 1.930 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.271 3.543 2.388 1.00 0.00 H new ATOM 0 HG LEU A 27 2.640 2.712 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.579 2.876 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.476 1.617 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.828 3.185 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.054 4.879 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.321 5.267 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.300 5.083 3.021 1.00 0.00 H new ATOM 383 N GLU A 28 -1.308 3.821 5.747 1.00 0.00 N ATOM 384 CA GLU A 28 -2.532 3.503 6.473 1.00 0.00 C ATOM 385 C GLU A 28 -3.761 3.964 5.695 1.00 0.00 C ATOM 386 O GLU A 28 -3.694 4.914 4.913 1.00 0.00 O ATOM 387 CB GLU A 28 -2.515 4.156 7.856 1.00 0.00 C ATOM 388 CG GLU A 28 -3.667 3.722 8.748 1.00 0.00 C ATOM 389 CD GLU A 28 -3.943 4.709 9.865 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.312 4.583 10.936 1.00 0.00 O ATOM 391 OE2 GLU A 28 -4.790 5.606 9.670 1.00 0.00 O ATOM 0 H GLU A 28 -1.008 4.792 5.831 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.583 2.421 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.574 3.916 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.546 5.239 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.566 3.603 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.441 2.746 9.178 1.00 0.00 H new ATOM 398 N CYS A 29 -4.882 3.285 5.914 1.00 0.00 N ATOM 399 CA CYS A 29 -6.126 3.624 5.234 1.00 0.00 C ATOM 400 C CYS A 29 -7.317 2.958 5.915 1.00 0.00 C ATOM 401 O CYS A 29 -7.149 2.144 6.823 1.00 0.00 O ATOM 402 CB CYS A 29 -6.061 3.199 3.766 1.00 0.00 C ATOM 403 SG CYS A 29 -6.298 1.427 3.498 1.00 0.00 S ATOM 0 H CYS A 29 -4.954 2.497 6.557 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.257 4.705 5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.821 3.745 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.094 3.491 3.357 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.228 1.167 2.226 1.00 0.00 H new ATOM 409 N GLU A 30 -8.520 3.312 5.473 1.00 0.00 N ATOM 410 CA GLU A 30 -9.739 2.750 6.043 1.00 0.00 C ATOM 411 C GLU A 30 -10.772 2.476 4.954 1.00 0.00 C ATOM 412 O GLU A 30 -10.768 3.117 3.903 1.00 0.00 O ATOM 413 CB GLU A 30 -10.324 3.700 7.090 1.00 0.00 C ATOM 414 CG GLU A 30 -9.792 3.462 8.493 1.00 0.00 C ATOM 415 CD GLU A 30 -10.125 4.595 9.443 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.327 4.885 9.621 1.00 0.00 O ATOM 417 OE2 GLU A 30 -9.186 5.192 10.009 1.00 0.00 O ATOM 0 H GLU A 30 -8.676 3.985 4.723 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.484 1.805 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.107 4.727 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.409 3.594 7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.208 2.533 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.710 3.334 8.451 1.00 0.00 H new ATOM 424 N VAL A 31 -11.657 1.518 5.214 1.00 0.00 N ATOM 425 CA VAL A 31 -12.697 1.159 4.258 1.00 0.00 C ATOM 426 C VAL A 31 -14.079 1.224 4.899 1.00 0.00 C ATOM 427 O VAL A 31 -14.212 1.535 6.082 1.00 0.00 O ATOM 428 CB VAL A 31 -12.473 -0.255 3.690 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.212 -0.296 2.840 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.400 -1.276 4.815 1.00 0.00 C ATOM 0 H VAL A 31 -11.674 0.977 6.079 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.643 1.882 3.444 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.320 -0.510 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.070 -1.303 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.308 0.406 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.352 -0.021 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.241 -2.269 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.573 -1.027 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.333 -1.265 5.378 1.00 0.00 H new ATOM 440 N SER A 32 -15.106 0.928 4.109 1.00 0.00 N ATOM 441 CA SER A 32 -16.480 0.956 4.598 1.00 0.00 C ATOM 442 C SER A 32 -16.802 -0.311 5.385 1.00 0.00 C ATOM 443 O SER A 32 -17.483 -0.261 6.409 1.00 0.00 O ATOM 444 CB SER A 32 -17.457 1.106 3.430 1.00 0.00 C ATOM 445 OG SER A 32 -18.800 1.078 3.882 1.00 0.00 O ATOM 0 H SER A 32 -15.013 0.666 3.128 1.00 0.00 H new ATOM 0 HA SER A 32 -16.585 1.813 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.265 2.044 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.295 0.303 2.711 1.00 0.00 H new ATOM 0 HG SER A 32 -19.405 1.177 3.117 1.00 0.00 H new ATOM 451 N GLU A 33 -16.307 -1.444 4.898 1.00 0.00 N ATOM 452 CA GLU A 33 -16.543 -2.725 5.556 1.00 0.00 C ATOM 453 C GLU A 33 -15.434 -3.034 6.557 1.00 0.00 C ATOM 454 O GLU A 33 -14.431 -2.324 6.628 1.00 0.00 O ATOM 455 CB GLU A 33 -16.637 -3.846 4.519 1.00 0.00 C ATOM 456 CG GLU A 33 -17.905 -3.797 3.683 1.00 0.00 C ATOM 457 CD GLU A 33 -18.253 -5.141 3.073 1.00 0.00 C ATOM 458 OE1 GLU A 33 -18.168 -6.159 3.792 1.00 0.00 O ATOM 459 OE2 GLU A 33 -18.610 -5.175 1.877 1.00 0.00 O ATOM 0 H GLU A 33 -15.741 -1.502 4.052 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.488 -2.659 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.773 -3.790 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.586 -4.807 5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.733 -3.459 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.783 -3.062 2.888 1.00 0.00 H new ATOM 466 N ASP A 34 -15.622 -4.099 7.328 1.00 0.00 N ATOM 467 CA ASP A 34 -14.638 -4.505 8.325 1.00 0.00 C ATOM 468 C ASP A 34 -13.914 -5.775 7.890 1.00 0.00 C ATOM 469 O ASP A 34 -14.330 -6.445 6.944 1.00 0.00 O ATOM 470 CB ASP A 34 -15.314 -4.727 9.679 1.00 0.00 C ATOM 471 CG ASP A 34 -16.508 -5.657 9.584 1.00 0.00 C ATOM 472 OD1 ASP A 34 -16.484 -6.566 8.729 1.00 0.00 O ATOM 473 OD2 ASP A 34 -17.466 -5.474 10.365 1.00 0.00 O ATOM 0 H ASP A 34 -16.447 -4.697 7.282 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.904 -3.705 8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.589 -5.141 10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.636 -3.767 10.083 1.00 0.00 H new ATOM 478 N ASP A 35 -12.829 -6.100 8.584 1.00 0.00 N ATOM 479 CA ASP A 35 -12.047 -7.289 8.269 1.00 0.00 C ATOM 480 C ASP A 35 -12.036 -7.550 6.766 1.00 0.00 C ATOM 481 O ASP A 35 -12.060 -8.699 6.325 1.00 0.00 O ATOM 482 CB ASP A 35 -12.611 -8.506 9.006 1.00 0.00 C ATOM 483 CG ASP A 35 -11.980 -8.699 10.371 1.00 0.00 C ATOM 484 OD1 ASP A 35 -10.824 -8.264 10.558 1.00 0.00 O ATOM 485 OD2 ASP A 35 -12.643 -9.284 11.253 1.00 0.00 O ATOM 0 H ASP A 35 -12.471 -5.556 9.369 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.022 -7.117 8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.689 -8.391 9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.448 -9.400 8.404 1.00 0.00 H new ATOM 490 N ALA A 36 -11.999 -6.476 5.985 1.00 0.00 N ATOM 491 CA ALA A 36 -11.983 -6.588 4.532 1.00 0.00 C ATOM 492 C ALA A 36 -10.588 -6.932 4.023 1.00 0.00 C ATOM 493 O ALA A 36 -9.607 -6.831 4.758 1.00 0.00 O ATOM 494 CB ALA A 36 -12.475 -5.296 3.897 1.00 0.00 C ATOM 0 H ALA A 36 -11.980 -5.518 6.334 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.655 -7.398 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.458 -5.394 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.494 -5.094 4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.826 -4.473 4.197 1.00 0.00 H new ATOM 500 N ASN A 37 -10.507 -7.338 2.760 1.00 0.00 N ATOM 501 CA ASN A 37 -9.230 -7.698 2.153 1.00 0.00 C ATOM 502 C ASN A 37 -8.946 -6.833 0.930 1.00 0.00 C ATOM 503 O ASN A 37 -9.350 -7.163 -0.185 1.00 0.00 O ATOM 504 CB ASN A 37 -9.229 -9.176 1.758 1.00 0.00 C ATOM 505 CG ASN A 37 -7.970 -9.574 1.012 1.00 0.00 C ATOM 506 OD1 ASN A 37 -6.922 -9.803 1.617 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.067 -9.658 -0.310 1.00 0.00 N ATOM 0 H ASN A 37 -11.310 -7.426 2.137 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.444 -7.524 2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.326 -9.789 2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.099 -9.383 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.253 -9.921 -0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.956 -9.459 -0.770 1.00 0.00 H new ATOM 514 N VAL A 38 -8.247 -5.723 1.146 1.00 0.00 N ATOM 515 CA VAL A 38 -7.907 -4.810 0.061 1.00 0.00 C ATOM 516 C VAL A 38 -6.745 -5.348 -0.766 1.00 0.00 C ATOM 517 O VAL A 38 -5.982 -6.198 -0.306 1.00 0.00 O ATOM 518 CB VAL A 38 -7.538 -3.414 0.598 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.617 -2.900 1.538 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.186 -3.452 1.294 1.00 0.00 C ATOM 0 H VAL A 38 -7.905 -5.434 2.063 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.791 -4.726 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.468 -2.726 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.338 -1.913 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.564 -2.833 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.723 -3.585 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.941 -2.458 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.226 -4.153 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.421 -3.773 0.586 1.00 0.00 H new ATOM 530 N LYS A 39 -6.617 -4.849 -1.990 1.00 0.00 N ATOM 531 CA LYS A 39 -5.547 -5.277 -2.884 1.00 0.00 C ATOM 532 C LYS A 39 -4.593 -4.125 -3.183 1.00 0.00 C ATOM 533 O LYS A 39 -4.957 -3.167 -3.866 1.00 0.00 O ATOM 534 CB LYS A 39 -6.132 -5.821 -4.189 1.00 0.00 C ATOM 535 CG LYS A 39 -6.726 -7.212 -4.056 1.00 0.00 C ATOM 536 CD LYS A 39 -7.497 -7.611 -5.304 1.00 0.00 C ATOM 537 CE LYS A 39 -8.919 -7.071 -5.277 1.00 0.00 C ATOM 538 NZ LYS A 39 -9.789 -7.749 -6.277 1.00 0.00 N ATOM 0 H LYS A 39 -7.242 -4.147 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.987 -6.069 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.904 -5.138 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.350 -5.840 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.929 -7.933 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.389 -7.244 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.981 -7.235 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.521 -8.698 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.339 -7.205 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.904 -5.999 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.749 -7.353 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.402 -7.600 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.824 -8.768 -6.073 1.00 0.00 H new ATOM 552 N TRP A 40 -3.373 -4.224 -2.668 1.00 0.00 N ATOM 553 CA TRP A 40 -2.367 -3.190 -2.882 1.00 0.00 C ATOM 554 C TRP A 40 -1.610 -3.427 -4.184 1.00 0.00 C ATOM 555 O TRP A 40 -1.180 -4.546 -4.469 1.00 0.00 O ATOM 556 CB TRP A 40 -1.387 -3.152 -1.708 1.00 0.00 C ATOM 557 CG TRP A 40 -2.055 -2.937 -0.384 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.720 -3.869 0.360 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.125 -1.710 0.351 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.198 -3.296 1.514 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.845 -1.973 1.533 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.646 -0.416 0.128 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.099 -0.988 2.484 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.899 0.560 1.073 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.619 0.270 2.239 1.00 0.00 C ATOM 0 H TRP A 40 -3.056 -5.009 -2.099 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.879 -2.230 -2.951 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.830 -4.089 -1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.662 -2.355 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.851 -4.904 0.082 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.730 -3.778 2.239 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.088 -0.183 -0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.655 -1.209 3.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.535 1.564 0.910 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.799 1.055 2.959 1.00 0.00 H new ATOM 576 N PHE A 41 -1.450 -2.369 -4.972 1.00 0.00 N ATOM 577 CA PHE A 41 -0.745 -2.464 -6.245 1.00 0.00 C ATOM 578 C PHE A 41 0.375 -1.431 -6.325 1.00 0.00 C ATOM 579 O PHE A 41 0.213 -0.287 -5.897 1.00 0.00 O ATOM 580 CB PHE A 41 -1.720 -2.266 -7.408 1.00 0.00 C ATOM 581 CG PHE A 41 -2.850 -3.255 -7.418 1.00 0.00 C ATOM 582 CD1 PHE A 41 -3.921 -3.111 -6.550 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.843 -4.327 -8.294 1.00 0.00 C ATOM 584 CE1 PHE A 41 -4.962 -4.020 -6.556 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.881 -5.239 -8.306 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.943 -5.085 -7.436 1.00 0.00 C ATOM 0 H PHE A 41 -1.799 -1.436 -4.752 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.304 -3.458 -6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.131 -1.258 -7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.173 -2.342 -8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.942 -2.279 -5.861 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.016 -4.452 -8.977 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.790 -3.898 -5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.862 -6.071 -8.994 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.756 -5.795 -7.444 1.00 0.00 H new ATOM 596 N LYS A 42 1.513 -1.842 -6.874 1.00 0.00 N ATOM 597 CA LYS A 42 2.662 -0.955 -7.011 1.00 0.00 C ATOM 598 C LYS A 42 2.825 -0.495 -8.456 1.00 0.00 C ATOM 599 O LYS A 42 3.495 -1.151 -9.253 1.00 0.00 O ATOM 600 CB LYS A 42 3.936 -1.660 -6.541 1.00 0.00 C ATOM 601 CG LYS A 42 5.209 -1.057 -7.109 1.00 0.00 C ATOM 602 CD LYS A 42 6.380 -1.227 -6.155 1.00 0.00 C ATOM 603 CE LYS A 42 7.628 -0.529 -6.675 1.00 0.00 C ATOM 604 NZ LYS A 42 8.454 -1.429 -7.526 1.00 0.00 N ATOM 0 H LYS A 42 1.664 -2.785 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 42 2.489 -0.078 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.981 -1.624 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.885 -2.712 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.443 -1.531 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.053 0.003 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.116 -0.823 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.586 -2.288 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.339 0.350 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.224 -0.177 -5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.295 -0.916 -7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.752 -2.256 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.894 -1.745 -8.343 1.00 0.00 H new ATOM 618 N ASN A 43 2.209 0.635 -8.787 1.00 0.00 N ATOM 619 CA ASN A 43 2.287 1.182 -10.137 1.00 0.00 C ATOM 620 C ASN A 43 1.431 0.369 -11.103 1.00 0.00 C ATOM 621 O ASN A 43 1.695 0.335 -12.304 1.00 0.00 O ATOM 622 CB ASN A 43 3.740 1.202 -10.617 1.00 0.00 C ATOM 623 CG ASN A 43 4.012 2.335 -11.588 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.259 2.546 -12.539 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.092 3.070 -11.352 1.00 0.00 N ATOM 0 H ASN A 43 1.650 1.190 -8.139 1.00 0.00 H new ATOM 0 HA ASN A 43 1.905 2.203 -10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.403 1.297 -9.757 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.975 0.252 -11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.326 3.846 -11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.688 2.859 -10.551 1.00 0.00 H new ATOM 632 N GLY A 44 0.403 -0.284 -10.570 1.00 0.00 N ATOM 633 CA GLY A 44 -0.477 -1.087 -11.399 1.00 0.00 C ATOM 634 C GLY A 44 -0.341 -2.570 -11.121 1.00 0.00 C ATOM 635 O GLY A 44 -1.320 -3.312 -11.187 1.00 0.00 O ATOM 0 H GLY A 44 0.164 -0.271 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.510 -0.782 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.257 -0.896 -12.449 1.00 0.00 H new ATOM 639 N GLU A 45 0.877 -3.004 -10.811 1.00 0.00 N ATOM 640 CA GLU A 45 1.137 -4.410 -10.525 1.00 0.00 C ATOM 641 C GLU A 45 0.646 -4.781 -9.129 1.00 0.00 C ATOM 642 O GLU A 45 0.657 -3.955 -8.216 1.00 0.00 O ATOM 643 CB GLU A 45 2.633 -4.710 -10.648 1.00 0.00 C ATOM 644 CG GLU A 45 3.400 -4.519 -9.350 1.00 0.00 C ATOM 645 CD GLU A 45 4.840 -4.985 -9.450 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.688 -4.198 -9.919 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.117 -6.138 -9.058 1.00 0.00 O ATOM 0 H GLU A 45 1.699 -2.402 -10.752 1.00 0.00 H new ATOM 0 HA GLU A 45 0.592 -5.010 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.762 -5.737 -10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.063 -4.064 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.381 -3.465 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.899 -5.067 -8.552 1.00 0.00 H new ATOM 654 N GLU A 46 0.214 -6.028 -8.972 1.00 0.00 N ATOM 655 CA GLU A 46 -0.283 -6.508 -7.688 1.00 0.00 C ATOM 656 C GLU A 46 0.870 -6.921 -6.778 1.00 0.00 C ATOM 657 O GLU A 46 1.862 -7.490 -7.235 1.00 0.00 O ATOM 658 CB GLU A 46 -1.234 -7.690 -7.893 1.00 0.00 C ATOM 659 CG GLU A 46 -1.638 -8.378 -6.600 1.00 0.00 C ATOM 660 CD GLU A 46 -2.860 -9.260 -6.765 1.00 0.00 C ATOM 661 OE1 GLU A 46 -2.744 -10.318 -7.418 1.00 0.00 O ATOM 662 OE2 GLU A 46 -3.932 -8.892 -6.241 1.00 0.00 O ATOM 0 H GLU A 46 0.198 -6.724 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.826 -5.693 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.131 -7.339 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.758 -8.419 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.805 -8.981 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.839 -7.624 -5.839 1.00 0.00 H new ATOM 669 N ILE A 47 0.732 -6.630 -5.489 1.00 0.00 N ATOM 670 CA ILE A 47 1.761 -6.971 -4.515 1.00 0.00 C ATOM 671 C ILE A 47 1.432 -8.278 -3.801 1.00 0.00 C ATOM 672 O ILE A 47 0.333 -8.447 -3.272 1.00 0.00 O ATOM 673 CB ILE A 47 1.935 -5.856 -3.466 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.365 -4.553 -4.142 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.952 -6.274 -2.413 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.321 -3.352 -3.223 1.00 0.00 C ATOM 0 H ILE A 47 -0.082 -6.159 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 47 2.693 -7.087 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 47 0.978 -5.688 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.378 -4.670 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.719 -4.368 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.064 -5.476 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.608 -7.180 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.913 -6.465 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.639 -2.464 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.304 -3.210 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.989 -3.516 -2.378 1.00 0.00 H new ATOM 688 N ILE A 48 2.391 -9.197 -3.790 1.00 0.00 N ATOM 689 CA ILE A 48 2.203 -10.488 -3.139 1.00 0.00 C ATOM 690 C ILE A 48 3.173 -10.663 -1.975 1.00 0.00 C ATOM 691 O ILE A 48 4.282 -11.174 -2.130 1.00 0.00 O ATOM 692 CB ILE A 48 2.393 -11.651 -4.130 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.487 -11.465 -5.348 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.106 -12.980 -3.447 1.00 0.00 C ATOM 695 CD1 ILE A 48 0.019 -11.677 -5.048 1.00 0.00 C ATOM 0 H ILE A 48 3.306 -9.072 -4.224 1.00 0.00 H new ATOM 0 HA ILE A 48 1.180 -10.506 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 48 3.429 -11.655 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.627 -10.459 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.794 -12.161 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.244 -13.793 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.789 -13.113 -2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.079 -12.988 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.563 -11.529 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.134 -12.692 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.304 -10.964 -4.290 1.00 0.00 H new ATOM 707 N PRO A 49 2.747 -10.229 -0.779 1.00 0.00 N ATOM 708 CA PRO A 49 3.561 -10.329 0.435 1.00 0.00 C ATOM 709 C PRO A 49 3.725 -11.770 0.907 1.00 0.00 C ATOM 710 O PRO A 49 3.176 -12.695 0.310 1.00 0.00 O ATOM 711 CB PRO A 49 2.768 -9.517 1.462 1.00 0.00 C ATOM 712 CG PRO A 49 1.359 -9.570 0.980 1.00 0.00 C ATOM 713 CD PRO A 49 1.437 -9.609 -0.521 1.00 0.00 C ATOM 0 HA PRO A 49 4.576 -9.965 0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.861 -9.943 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.129 -8.490 1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.847 -10.451 1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.797 -8.700 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.624 -10.194 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.373 -8.610 -0.953 1.00 0.00 H new ATOM 721 N GLY A 50 4.485 -11.953 1.982 1.00 0.00 N ATOM 722 CA GLY A 50 4.707 -13.284 2.516 1.00 0.00 C ATOM 723 C GLY A 50 5.843 -13.325 3.519 1.00 0.00 C ATOM 724 O GLY A 50 6.396 -12.295 3.905 1.00 0.00 O ATOM 0 H GLY A 50 4.951 -11.203 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.793 -13.638 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.925 -13.969 1.697 1.00 0.00 H new ATOM 775 N ARG A 54 8.970 -8.593 0.376 1.00 0.00 N ATOM 776 CA ARG A 54 9.403 -7.352 1.005 1.00 0.00 C ATOM 777 C ARG A 54 8.217 -6.610 1.616 1.00 0.00 C ATOM 778 O ARG A 54 8.289 -6.129 2.747 1.00 0.00 O ATOM 779 CB ARG A 54 10.107 -6.456 -0.016 1.00 0.00 C ATOM 780 CG ARG A 54 11.562 -6.828 -0.250 1.00 0.00 C ATOM 781 CD ARG A 54 12.355 -5.655 -0.805 1.00 0.00 C ATOM 782 NE ARG A 54 13.784 -5.946 -0.879 1.00 0.00 N ATOM 783 CZ ARG A 54 14.720 -5.010 -0.992 1.00 0.00 C ATOM 784 NH1 ARG A 54 14.378 -3.729 -1.044 1.00 0.00 N ATOM 785 NH2 ARG A 54 16.000 -5.353 -1.054 1.00 0.00 N ATOM 0 HA ARG A 54 10.103 -7.603 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.570 -6.508 -0.963 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.055 -5.422 0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.009 -7.160 0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.617 -7.667 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.984 -5.405 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.196 -4.780 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 54 14.080 -6.921 -0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.395 -3.461 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.098 -3.012 -1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.267 -6.337 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.717 -4.633 -1.141 1.00 0.00 H new ATOM 799 N TYR A 55 7.129 -6.521 0.860 1.00 0.00 N ATOM 800 CA TYR A 55 5.929 -5.835 1.326 1.00 0.00 C ATOM 801 C TYR A 55 5.131 -6.720 2.278 1.00 0.00 C ATOM 802 O TYR A 55 5.176 -7.947 2.188 1.00 0.00 O ATOM 803 CB TYR A 55 5.056 -5.427 0.138 1.00 0.00 C ATOM 804 CG TYR A 55 5.814 -4.697 -0.948 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.517 -5.396 -1.922 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.824 -3.309 -1.002 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.211 -4.733 -2.915 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.514 -2.637 -1.993 1.00 0.00 C ATOM 809 CZ TYR A 55 7.207 -3.354 -2.947 1.00 0.00 C ATOM 810 OH TYR A 55 7.896 -2.690 -3.935 1.00 0.00 O ATOM 0 H TYR A 55 7.053 -6.915 -0.078 1.00 0.00 H new ATOM 0 HA TYR A 55 6.239 -4.940 1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.597 -6.319 -0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.246 -4.791 0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.521 -6.476 -1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.283 -2.745 -0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.754 -5.292 -3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.511 -1.557 -2.021 1.00 0.00 H new ATOM 0 HH TYR A 55 7.790 -1.723 -3.814 1.00 0.00 H new ATOM 820 N ARG A 56 4.400 -6.087 3.190 1.00 0.00 N ATOM 821 CA ARG A 56 3.591 -6.815 4.160 1.00 0.00 C ATOM 822 C ARG A 56 2.255 -6.115 4.389 1.00 0.00 C ATOM 823 O ARG A 56 2.210 -4.991 4.890 1.00 0.00 O ATOM 824 CB ARG A 56 4.343 -6.948 5.486 1.00 0.00 C ATOM 825 CG ARG A 56 5.779 -7.420 5.326 1.00 0.00 C ATOM 826 CD ARG A 56 6.648 -6.964 6.488 1.00 0.00 C ATOM 827 NE ARG A 56 6.558 -7.872 7.628 1.00 0.00 N ATOM 828 CZ ARG A 56 6.815 -7.508 8.880 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.176 -6.261 9.150 1.00 0.00 N ATOM 830 NH2 ARG A 56 6.710 -8.392 9.864 1.00 0.00 N ATOM 0 H ARG A 56 4.351 -5.072 3.277 1.00 0.00 H new ATOM 0 HA ARG A 56 3.396 -7.810 3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.341 -5.983 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.809 -7.648 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.800 -8.508 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.188 -7.035 4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.685 -6.896 6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.345 -5.964 6.797 1.00 0.00 H new ATOM 0 HE ARG A 56 6.283 -8.839 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.257 -5.579 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.373 -5.984 10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.432 -9.352 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.907 -8.112 10.825 1.00 0.00 H new ATOM 844 N ILE A 57 1.170 -6.786 4.019 1.00 0.00 N ATOM 845 CA ILE A 57 -0.167 -6.228 4.185 1.00 0.00 C ATOM 846 C ILE A 57 -0.825 -6.747 5.459 1.00 0.00 C ATOM 847 O ILE A 57 -1.136 -7.933 5.571 1.00 0.00 O ATOM 848 CB ILE A 57 -1.069 -6.561 2.982 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.446 -6.034 1.688 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.459 -5.976 3.184 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.012 -6.675 0.440 1.00 0.00 C ATOM 0 H ILE A 57 1.190 -7.717 3.602 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.051 -5.146 4.254 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.160 -7.644 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.598 -4.956 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.630 -6.203 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.085 -6.220 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.903 -6.395 4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.387 -4.893 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.524 -6.253 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.836 -7.750 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.084 -6.484 0.387 1.00 0.00 H new ATOM 863 N ARG A 58 -1.035 -5.850 6.417 1.00 0.00 N ATOM 864 CA ARG A 58 -1.657 -6.217 7.683 1.00 0.00 C ATOM 865 C ARG A 58 -3.082 -5.676 7.766 1.00 0.00 C ATOM 866 O ARG A 58 -3.372 -4.583 7.279 1.00 0.00 O ATOM 867 CB ARG A 58 -0.830 -5.686 8.855 1.00 0.00 C ATOM 868 CG ARG A 58 -1.547 -5.764 10.193 1.00 0.00 C ATOM 869 CD ARG A 58 -0.866 -4.900 11.242 1.00 0.00 C ATOM 870 NE ARG A 58 -1.133 -5.373 12.598 1.00 0.00 N ATOM 871 CZ ARG A 58 -0.339 -5.121 13.633 1.00 0.00 C ATOM 872 NH1 ARG A 58 0.764 -4.405 13.469 1.00 0.00 N ATOM 873 NH2 ARG A 58 -0.650 -5.586 14.837 1.00 0.00 N ATOM 0 H ARG A 58 -0.784 -4.864 6.340 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.696 -7.305 7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.100 -6.251 8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.560 -4.649 8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.582 -5.443 10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.572 -6.799 10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.210 -4.895 11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.210 -3.871 11.143 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.974 -5.927 12.759 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.006 -4.045 12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.371 -4.214 14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.499 -6.137 14.967 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.040 -5.393 15.632 1.00 0.00 H new ATOM 887 N VAL A 59 -3.968 -6.449 8.387 1.00 0.00 N ATOM 888 CA VAL A 59 -5.362 -6.047 8.535 1.00 0.00 C ATOM 889 C VAL A 59 -5.707 -5.789 9.997 1.00 0.00 C ATOM 890 O VAL A 59 -5.558 -6.668 10.844 1.00 0.00 O ATOM 891 CB VAL A 59 -6.316 -7.118 7.974 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.765 -6.703 8.181 1.00 0.00 C ATOM 893 CG2 VAL A 59 -6.029 -7.369 6.502 1.00 0.00 C ATOM 0 H VAL A 59 -3.745 -7.357 8.795 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.489 -5.125 7.968 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.149 -8.049 8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.425 -7.472 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.959 -6.579 9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.950 -5.760 7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.712 -8.129 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.167 -6.444 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.002 -7.714 6.385 1.00 0.00 H new ATOM 903 N GLU A 60 -6.170 -4.576 10.284 1.00 0.00 N ATOM 904 CA GLU A 60 -6.537 -4.202 11.645 1.00 0.00 C ATOM 905 C GLU A 60 -7.912 -3.541 11.676 1.00 0.00 C ATOM 906 O GLU A 60 -8.101 -2.451 11.138 1.00 0.00 O ATOM 907 CB GLU A 60 -5.490 -3.256 12.237 1.00 0.00 C ATOM 908 CG GLU A 60 -4.287 -3.972 12.828 1.00 0.00 C ATOM 909 CD GLU A 60 -4.561 -4.528 14.212 1.00 0.00 C ATOM 910 OE1 GLU A 60 -5.134 -3.794 15.043 1.00 0.00 O ATOM 911 OE2 GLU A 60 -4.201 -5.697 14.463 1.00 0.00 O ATOM 0 H GLU A 60 -6.300 -3.837 9.593 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.577 -5.110 12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.149 -2.572 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.958 -2.649 13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.992 -4.786 12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.446 -3.281 12.878 1.00 0.00 H new ATOM 918 N GLY A 61 -8.870 -4.210 12.310 1.00 0.00 N ATOM 919 CA GLY A 61 -10.215 -3.674 12.399 1.00 0.00 C ATOM 920 C GLY A 61 -10.780 -3.296 11.044 1.00 0.00 C ATOM 921 O GLY A 61 -10.958 -4.151 10.176 1.00 0.00 O ATOM 0 H GLY A 61 -8.738 -5.114 12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.866 -4.412 12.868 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.211 -2.796 13.045 1.00 0.00 H new ATOM 925 N LYS A 62 -11.064 -2.011 10.861 1.00 0.00 N ATOM 926 CA LYS A 62 -11.612 -1.520 9.602 1.00 0.00 C ATOM 927 C LYS A 62 -10.594 -0.655 8.866 1.00 0.00 C ATOM 928 O LYS A 62 -10.951 0.130 7.987 1.00 0.00 O ATOM 929 CB LYS A 62 -12.890 -0.717 9.857 1.00 0.00 C ATOM 930 CG LYS A 62 -13.922 -1.464 10.684 1.00 0.00 C ATOM 931 CD LYS A 62 -15.081 -0.563 11.074 1.00 0.00 C ATOM 932 CE LYS A 62 -16.104 -0.452 9.954 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.242 0.434 10.326 1.00 0.00 N ATOM 0 H LYS A 62 -10.924 -1.290 11.569 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.850 -2.381 8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.631 0.211 10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.333 -0.442 8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.297 -2.316 10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.451 -1.862 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.562 -0.955 11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.704 0.429 11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.620 -0.064 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.482 -1.444 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.917 0.483 9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.720 0.051 11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.885 1.388 10.536 1.00 0.00 H new ATOM 947 N LYS A 63 -9.325 -0.804 9.229 1.00 0.00 N ATOM 948 CA LYS A 63 -8.254 -0.039 8.602 1.00 0.00 C ATOM 949 C LYS A 63 -7.106 -0.952 8.183 1.00 0.00 C ATOM 950 O LYS A 63 -6.824 -1.954 8.842 1.00 0.00 O ATOM 951 CB LYS A 63 -7.740 1.038 9.560 1.00 0.00 C ATOM 952 CG LYS A 63 -6.784 0.508 10.614 1.00 0.00 C ATOM 953 CD LYS A 63 -7.526 0.030 11.851 1.00 0.00 C ATOM 954 CE LYS A 63 -7.702 1.152 12.863 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.943 0.627 14.236 1.00 0.00 N ATOM 0 H LYS A 63 -9.013 -1.449 9.955 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.658 0.440 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.238 1.815 8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.590 1.507 10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.202 -0.314 10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.078 1.290 10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.503 -0.359 11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.978 -0.793 12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.812 1.782 12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.538 1.784 12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.058 1.422 14.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.806 0.047 14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.134 0.045 14.532 1.00 0.00 H new ATOM 969 N HIS A 64 -6.445 -0.599 7.085 1.00 0.00 N ATOM 970 CA HIS A 64 -5.325 -1.386 6.581 1.00 0.00 C ATOM 971 C HIS A 64 -4.019 -0.605 6.689 1.00 0.00 C ATOM 972 O HIS A 64 -4.017 0.626 6.661 1.00 0.00 O ATOM 973 CB HIS A 64 -5.573 -1.790 5.127 1.00 0.00 C ATOM 974 CG HIS A 64 -6.709 -2.751 4.957 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.552 -4.017 4.434 1.00 0.00 N ATOM 976 CD2 HIS A 64 -8.025 -2.625 5.246 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.722 -4.628 4.407 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.633 -3.805 4.895 1.00 0.00 N ATOM 0 H HIS A 64 -6.665 0.226 6.528 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.241 -2.285 7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.775 -0.894 4.539 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.665 -2.238 4.723 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.507 -1.758 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.903 -5.630 4.047 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.627 -4.012 4.995 1.00 0.00 H new ATOM 987 N ILE A 65 -2.912 -1.328 6.814 1.00 0.00 N ATOM 988 CA ILE A 65 -1.600 -0.702 6.927 1.00 0.00 C ATOM 989 C ILE A 65 -0.538 -1.516 6.194 1.00 0.00 C ATOM 990 O ILE A 65 -0.154 -2.599 6.637 1.00 0.00 O ATOM 991 CB ILE A 65 -1.179 -0.538 8.399 1.00 0.00 C ATOM 992 CG1 ILE A 65 -2.167 0.368 9.136 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.232 0.025 8.487 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.317 -0.382 9.771 1.00 0.00 C ATOM 0 H ILE A 65 -2.897 -2.348 6.840 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.680 0.284 6.469 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.188 -1.518 8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.633 0.921 9.909 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.565 1.103 8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.515 0.135 9.534 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.926 -0.655 7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.267 0.998 7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.977 0.324 10.276 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.875 -0.913 9.000 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.929 -1.098 10.496 1.00 0.00 H new ATOM 1006 N LEU A 66 -0.066 -0.986 5.071 1.00 0.00 N ATOM 1007 CA LEU A 66 0.954 -1.662 4.276 1.00 0.00 C ATOM 1008 C LEU A 66 2.347 -1.151 4.630 1.00 0.00 C ATOM 1009 O LEU A 66 2.691 -0.006 4.337 1.00 0.00 O ATOM 1010 CB LEU A 66 0.686 -1.454 2.784 1.00 0.00 C ATOM 1011 CG LEU A 66 1.588 -2.233 1.826 1.00 0.00 C ATOM 1012 CD1 LEU A 66 0.916 -2.392 0.471 1.00 0.00 C ATOM 1013 CD2 LEU A 66 2.934 -1.538 1.677 1.00 0.00 C ATOM 0 H LEU A 66 -0.373 -0.091 4.690 1.00 0.00 H new ATOM 0 HA LEU A 66 0.909 -2.727 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.349 -1.727 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.785 -0.391 2.562 1.00 0.00 H new ATOM 0 HG LEU A 66 1.758 -3.225 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.573 -2.949 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.023 -2.933 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.716 -1.408 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.563 -2.106 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.783 -0.533 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.421 -1.476 2.650 1.00 0.00 H new ATOM 1025 N ILE A 67 3.143 -2.008 5.259 1.00 0.00 N ATOM 1026 CA ILE A 67 4.499 -1.645 5.650 1.00 0.00 C ATOM 1027 C ILE A 67 5.511 -2.082 4.596 1.00 0.00 C ATOM 1028 O ILE A 67 5.374 -3.147 3.993 1.00 0.00 O ATOM 1029 CB ILE A 67 4.883 -2.271 7.004 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.284 -1.821 7.420 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.810 -3.789 6.924 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.394 -2.560 6.707 1.00 0.00 C ATOM 0 H ILE A 67 2.872 -2.959 5.509 1.00 0.00 H new ATOM 0 HA ILE A 67 4.519 -0.559 5.743 1.00 0.00 H new ATOM 0 HB ILE A 67 4.174 -1.931 7.759 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.386 -0.753 7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.397 -1.961 8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.084 -4.218 7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.795 -4.091 6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.499 -4.147 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.359 -2.188 7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.318 -3.626 6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.307 -2.399 5.632 1.00 0.00 H new ATOM 1044 N ILE A 68 6.527 -1.254 4.379 1.00 0.00 N ATOM 1045 CA ILE A 68 7.563 -1.556 3.400 1.00 0.00 C ATOM 1046 C ILE A 68 8.946 -1.552 4.044 1.00 0.00 C ATOM 1047 O ILE A 68 9.464 -0.499 4.416 1.00 0.00 O ATOM 1048 CB ILE A 68 7.548 -0.549 2.235 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.157 -0.488 1.603 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.593 -0.927 1.195 1.00 0.00 C ATOM 1051 CD1 ILE A 68 5.932 0.743 0.753 1.00 0.00 C ATOM 0 H ILE A 68 6.655 -0.368 4.868 1.00 0.00 H new ATOM 0 HA ILE A 68 7.349 -2.551 3.011 1.00 0.00 H new ATOM 0 HB ILE A 68 7.792 0.439 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.007 -1.376 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.406 -0.516 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.570 -0.206 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.581 -0.924 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.377 -1.922 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.925 0.719 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.050 1.636 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.659 0.763 -0.059 1.00 0.00 H new ATOM 1063 N GLU A 69 9.538 -2.735 4.169 1.00 0.00 N ATOM 1064 CA GLU A 69 10.862 -2.866 4.767 1.00 0.00 C ATOM 1065 C GLU A 69 11.951 -2.503 3.762 1.00 0.00 C ATOM 1066 O GLU A 69 12.272 -3.285 2.868 1.00 0.00 O ATOM 1067 CB GLU A 69 11.077 -4.294 5.275 1.00 0.00 C ATOM 1068 CG GLU A 69 10.603 -4.509 6.703 1.00 0.00 C ATOM 1069 CD GLU A 69 10.549 -5.975 7.085 1.00 0.00 C ATOM 1070 OE1 GLU A 69 11.338 -6.765 6.524 1.00 0.00 O ATOM 1071 OE2 GLU A 69 9.718 -6.334 7.945 1.00 0.00 O ATOM 0 H GLU A 69 9.123 -3.616 3.865 1.00 0.00 H new ATOM 0 HA GLU A 69 10.923 -2.175 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.552 -4.987 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.138 -4.537 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.270 -3.984 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.613 -4.069 6.823 1.00 0.00 H new ATOM 1078 N GLY A 70 12.517 -1.310 3.916 1.00 0.00 N ATOM 1079 CA GLY A 70 13.563 -0.863 3.015 1.00 0.00 C ATOM 1080 C GLY A 70 13.012 -0.163 1.788 1.00 0.00 C ATOM 1081 O GLY A 70 12.875 -0.772 0.728 1.00 0.00 O ATOM 0 H GLY A 70 12.270 -0.645 4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.231 -0.185 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.160 -1.720 2.703 1.00 0.00 H new ATOM 1085 N ALA A 71 12.695 1.119 1.933 1.00 0.00 N ATOM 1086 CA ALA A 71 12.156 1.902 0.827 1.00 0.00 C ATOM 1087 C ALA A 71 13.275 2.496 -0.021 1.00 0.00 C ATOM 1088 O ALA A 71 13.743 3.606 0.238 1.00 0.00 O ATOM 1089 CB ALA A 71 11.248 3.003 1.354 1.00 0.00 C ATOM 0 H ALA A 71 12.802 1.638 2.805 1.00 0.00 H new ATOM 0 HA ALA A 71 11.571 1.236 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.853 3.580 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.423 2.559 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.817 3.660 2.011 1.00 0.00 H new ATOM 1095 N THR A 72 13.702 1.751 -1.036 1.00 0.00 N ATOM 1096 CA THR A 72 14.768 2.204 -1.921 1.00 0.00 C ATOM 1097 C THR A 72 14.226 3.125 -3.008 1.00 0.00 C ATOM 1098 O THR A 72 13.013 3.268 -3.167 1.00 0.00 O ATOM 1099 CB THR A 72 15.490 1.015 -2.584 1.00 0.00 C ATOM 1100 OG1 THR A 72 14.554 0.226 -3.327 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.176 0.148 -1.540 1.00 0.00 C ATOM 0 H THR A 72 13.326 0.831 -1.265 1.00 0.00 H new ATOM 0 HA THR A 72 15.479 2.754 -1.304 1.00 0.00 H new ATOM 0 HB THR A 72 16.248 1.410 -3.260 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.021 -0.527 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 72 16.679 -0.685 -2.032 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.909 0.744 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.433 -0.238 -0.842 1.00 0.00 H new ATOM 1109 N LYS A 73 15.131 3.748 -3.755 1.00 0.00 N ATOM 1110 CA LYS A 73 14.745 4.654 -4.829 1.00 0.00 C ATOM 1111 C LYS A 73 13.692 4.015 -5.729 1.00 0.00 C ATOM 1112 O LYS A 73 12.701 4.650 -6.088 1.00 0.00 O ATOM 1113 CB LYS A 73 15.969 5.047 -5.659 1.00 0.00 C ATOM 1114 CG LYS A 73 16.783 6.174 -5.047 1.00 0.00 C ATOM 1115 CD LYS A 73 16.098 7.518 -5.229 1.00 0.00 C ATOM 1116 CE LYS A 73 16.858 8.631 -4.524 1.00 0.00 C ATOM 1117 NZ LYS A 73 16.708 8.554 -3.044 1.00 0.00 N ATOM 0 H LYS A 73 16.138 3.641 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 73 14.317 5.549 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.609 4.174 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.642 5.346 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.932 5.981 -3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.771 6.202 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.019 7.746 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.082 7.466 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.914 8.572 -4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.496 9.597 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.139 9.393 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.698 8.517 -2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.182 7.698 -2.691 1.00 0.00 H new ATOM 1131 N ALA A 74 13.912 2.754 -6.086 1.00 0.00 N ATOM 1132 CA ALA A 74 12.981 2.028 -6.941 1.00 0.00 C ATOM 1133 C ALA A 74 11.612 1.906 -6.280 1.00 0.00 C ATOM 1134 O ALA A 74 10.584 2.162 -6.908 1.00 0.00 O ATOM 1135 CB ALA A 74 13.533 0.650 -7.273 1.00 0.00 C ATOM 0 H ALA A 74 14.727 2.214 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 74 12.861 2.591 -7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.827 0.120 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.485 0.755 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.683 0.087 -6.352 1.00 0.00 H new ATOM 1141 N ASP A 75 11.605 1.513 -5.011 1.00 0.00 N ATOM 1142 CA ASP A 75 10.362 1.357 -4.265 1.00 0.00 C ATOM 1143 C ASP A 75 9.450 2.563 -4.470 1.00 0.00 C ATOM 1144 O ASP A 75 8.226 2.440 -4.444 1.00 0.00 O ATOM 1145 CB ASP A 75 10.656 1.171 -2.776 1.00 0.00 C ATOM 1146 CG ASP A 75 10.991 -0.265 -2.427 1.00 0.00 C ATOM 1147 OD1 ASP A 75 11.489 -0.991 -3.313 1.00 0.00 O ATOM 1148 OD2 ASP A 75 10.757 -0.664 -1.267 1.00 0.00 O ATOM 0 H ASP A 75 12.447 1.297 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 75 9.851 0.470 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.488 1.815 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.791 1.491 -2.195 1.00 0.00 H new ATOM 1153 N ALA A 76 10.056 3.729 -4.672 1.00 0.00 N ATOM 1154 CA ALA A 76 9.299 4.957 -4.882 1.00 0.00 C ATOM 1155 C ALA A 76 8.402 4.845 -6.110 1.00 0.00 C ATOM 1156 O ALA A 76 8.844 5.071 -7.236 1.00 0.00 O ATOM 1157 CB ALA A 76 10.244 6.141 -5.022 1.00 0.00 C ATOM 0 H ALA A 76 11.069 3.849 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 76 8.661 5.116 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.666 7.052 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.839 6.241 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.905 5.980 -5.874 1.00 0.00 H new ATOM 1163 N ALA A 77 7.140 4.495 -5.884 1.00 0.00 N ATOM 1164 CA ALA A 77 6.180 4.355 -6.972 1.00 0.00 C ATOM 1165 C ALA A 77 4.766 4.681 -6.503 1.00 0.00 C ATOM 1166 O ALA A 77 4.522 4.842 -5.308 1.00 0.00 O ATOM 1167 CB ALA A 77 6.236 2.948 -7.547 1.00 0.00 C ATOM 0 H ALA A 77 6.759 4.303 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 77 6.448 5.066 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.514 2.858 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.238 2.751 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.997 2.226 -6.766 1.00 0.00 H new ATOM 1173 N GLU A 78 3.840 4.777 -7.451 1.00 0.00 N ATOM 1174 CA GLU A 78 2.451 5.085 -7.133 1.00 0.00 C ATOM 1175 C GLU A 78 1.737 3.860 -6.568 1.00 0.00 C ATOM 1176 O GLU A 78 1.327 2.969 -7.311 1.00 0.00 O ATOM 1177 CB GLU A 78 1.718 5.586 -8.379 1.00 0.00 C ATOM 1178 CG GLU A 78 0.221 5.755 -8.178 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.485 6.238 -9.430 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.764 5.400 -10.314 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -0.758 7.453 -9.527 1.00 0.00 O ATOM 0 H GLU A 78 4.026 4.646 -8.445 1.00 0.00 H new ATOM 0 HA GLU A 78 2.444 5.869 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.146 6.542 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.890 4.886 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.210 4.803 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.045 6.464 -7.369 1.00 0.00 H new ATOM 1188 N TYR A 79 1.593 3.824 -5.248 1.00 0.00 N ATOM 1189 CA TYR A 79 0.933 2.708 -4.581 1.00 0.00 C ATOM 1190 C TYR A 79 -0.574 2.935 -4.503 1.00 0.00 C ATOM 1191 O TYR A 79 -1.041 3.852 -3.828 1.00 0.00 O ATOM 1192 CB TYR A 79 1.504 2.515 -3.176 1.00 0.00 C ATOM 1193 CG TYR A 79 2.913 1.966 -3.165 1.00 0.00 C ATOM 1194 CD1 TYR A 79 4.008 2.807 -3.326 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.150 0.608 -2.995 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.297 2.311 -3.318 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.436 0.103 -2.984 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.506 0.958 -3.146 1.00 0.00 C ATOM 1199 OH TYR A 79 6.788 0.459 -3.137 1.00 0.00 O ATOM 0 H TYR A 79 1.925 4.555 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 79 1.117 1.808 -5.167 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.492 3.471 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.855 1.839 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.848 3.867 -3.460 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.315 -0.065 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.137 2.978 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.602 -0.956 -2.849 1.00 0.00 H new ATOM 0 HH TYR A 79 7.389 1.092 -3.583 1.00 0.00 H new ATOM 1209 N SER A 80 -1.330 2.091 -5.199 1.00 0.00 N ATOM 1210 CA SER A 80 -2.784 2.200 -5.211 1.00 0.00 C ATOM 1211 C SER A 80 -3.430 0.897 -4.751 1.00 0.00 C ATOM 1212 O SER A 80 -2.978 -0.192 -5.104 1.00 0.00 O ATOM 1213 CB SER A 80 -3.277 2.560 -6.614 1.00 0.00 C ATOM 1214 OG SER A 80 -2.961 3.903 -6.937 1.00 0.00 O ATOM 0 H SER A 80 -0.960 1.325 -5.761 1.00 0.00 H new ATOM 0 HA SER A 80 -3.071 2.991 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.824 1.891 -7.345 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.355 2.413 -6.673 1.00 0.00 H new ATOM 0 HG SER A 80 -3.139 4.061 -7.888 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.492 1.017 -3.961 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.203 -0.150 -3.452 1.00 0.00 C ATOM 1222 C VAL A 81 -6.476 -0.409 -4.251 1.00 0.00 C ATOM 1223 O VAL A 81 -6.944 0.456 -4.990 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.569 0.020 -1.966 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.413 0.644 -1.199 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.830 0.857 -1.820 1.00 0.00 C ATOM 0 H VAL A 81 -4.879 1.911 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.531 -1.002 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.764 -0.966 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.690 0.756 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.536 0.001 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.183 1.623 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.074 0.967 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.666 1.841 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.655 0.364 -2.333 1.00 0.00 H new ATOM 1236 N MET A 82 -7.031 -1.607 -4.097 1.00 0.00 N ATOM 1237 CA MET A 82 -8.251 -1.980 -4.803 1.00 0.00 C ATOM 1238 C MET A 82 -9.131 -2.872 -3.933 1.00 0.00 C ATOM 1239 O MET A 82 -8.693 -3.921 -3.459 1.00 0.00 O ATOM 1240 CB MET A 82 -7.910 -2.698 -6.110 1.00 0.00 C ATOM 1241 CG MET A 82 -8.974 -2.541 -7.185 1.00 0.00 C ATOM 1242 SD MET A 82 -9.033 -3.945 -8.314 1.00 0.00 S ATOM 1243 CE MET A 82 -7.884 -3.411 -9.579 1.00 0.00 C ATOM 0 H MET A 82 -6.655 -2.335 -3.490 1.00 0.00 H new ATOM 0 HA MET A 82 -8.802 -1.068 -5.032 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.963 -2.315 -6.489 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.766 -3.759 -5.905 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.948 -2.419 -6.711 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.780 -1.631 -7.753 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.812 -4.177 -10.352 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.238 -2.480 -10.022 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.902 -3.251 -9.134 1.00 0.00 H new ATOM 1253 N THR A 83 -10.374 -2.449 -3.727 1.00 0.00 N ATOM 1254 CA THR A 83 -11.315 -3.209 -2.913 1.00 0.00 C ATOM 1255 C THR A 83 -12.467 -3.742 -3.757 1.00 0.00 C ATOM 1256 O THR A 83 -12.475 -3.595 -4.980 1.00 0.00 O ATOM 1257 CB THR A 83 -11.886 -2.353 -1.767 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.631 -1.253 -2.303 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.771 -1.831 -0.874 1.00 0.00 C ATOM 0 H THR A 83 -10.753 -1.584 -4.113 1.00 0.00 H new ATOM 0 HA THR A 83 -10.761 -4.047 -2.489 1.00 0.00 H new ATOM 0 HB THR A 83 -12.545 -2.980 -1.167 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.510 -1.212 -1.872 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.199 -1.229 -0.072 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.225 -2.671 -0.445 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.089 -1.218 -1.464 1.00 0.00 H new ATOM 1267 N THR A 84 -13.440 -4.362 -3.098 1.00 0.00 N ATOM 1268 CA THR A 84 -14.598 -4.918 -3.788 1.00 0.00 C ATOM 1269 C THR A 84 -15.382 -3.828 -4.510 1.00 0.00 C ATOM 1270 O THR A 84 -16.003 -4.077 -5.542 1.00 0.00 O ATOM 1271 CB THR A 84 -15.537 -5.649 -2.811 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.898 -4.778 -1.734 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.873 -6.901 -2.257 1.00 0.00 C ATOM 0 H THR A 84 -13.450 -4.492 -2.086 1.00 0.00 H new ATOM 0 HA THR A 84 -14.218 -5.633 -4.518 1.00 0.00 H new ATOM 0 HB THR A 84 -16.434 -5.943 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.871 -4.784 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.555 -7.401 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.626 -7.575 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.961 -6.625 -1.727 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.350 -2.618 -3.960 1.00 0.00 N ATOM 1282 CA GLY A 85 -16.062 -1.508 -4.565 1.00 0.00 C ATOM 1283 C GLY A 85 -15.411 -0.172 -4.271 1.00 0.00 C ATOM 1284 O GLY A 85 -16.089 0.794 -3.924 1.00 0.00 O ATOM 0 H GLY A 85 -14.843 -2.387 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.110 -1.656 -5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.089 -1.497 -4.199 1.00 0.00 H new ATOM 1288 N GLY A 86 -14.089 -0.116 -4.408 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.368 1.116 -4.148 1.00 0.00 C ATOM 1290 C GLY A 86 -11.906 1.025 -4.537 1.00 0.00 C ATOM 1291 O GLY A 86 -11.377 -0.068 -4.736 1.00 0.00 O ATOM 0 H GLY A 86 -13.505 -0.902 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.837 1.931 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.444 1.361 -3.089 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.252 2.177 -4.648 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.842 2.222 -5.019 1.00 0.00 C ATOM 1297 C GLN A 87 -9.181 3.491 -4.492 1.00 0.00 C ATOM 1298 O GLN A 87 -9.839 4.514 -4.306 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.690 2.147 -6.539 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.407 3.265 -7.278 1.00 0.00 C ATOM 1301 CD GLN A 87 -11.880 2.976 -7.488 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -12.395 1.953 -7.034 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -12.568 3.876 -8.180 1.00 0.00 N ATOM 0 H GLN A 87 -11.675 3.091 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.346 1.362 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.630 2.177 -6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.074 1.188 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.299 4.193 -6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -9.930 3.420 -8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.102 4.710 -8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.563 3.734 -8.354 1.00 0.00 H new ATOM 1312 N SER A 88 -7.875 3.417 -4.253 1.00 0.00 N ATOM 1313 CA SER A 88 -7.125 4.559 -3.743 1.00 0.00 C ATOM 1314 C SER A 88 -5.729 4.609 -4.355 1.00 0.00 C ATOM 1315 O SER A 88 -5.208 3.596 -4.823 1.00 0.00 O ATOM 1316 CB SER A 88 -7.024 4.490 -2.218 1.00 0.00 C ATOM 1317 OG SER A 88 -6.731 5.762 -1.668 1.00 0.00 O ATOM 0 H SER A 88 -7.315 2.578 -4.404 1.00 0.00 H new ATOM 0 HA SER A 88 -7.658 5.467 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.962 4.119 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.247 3.780 -1.934 1.00 0.00 H new ATOM 0 HG SER A 88 -5.847 6.054 -1.973 1.00 0.00 H new ATOM 1323 N SER A 89 -5.128 5.794 -4.347 1.00 0.00 N ATOM 1324 CA SER A 89 -3.793 5.978 -4.905 1.00 0.00 C ATOM 1325 C SER A 89 -2.951 6.882 -4.009 1.00 0.00 C ATOM 1326 O SER A 89 -3.479 7.728 -3.289 1.00 0.00 O ATOM 1327 CB SER A 89 -3.882 6.575 -6.311 1.00 0.00 C ATOM 1328 OG SER A 89 -4.743 7.700 -6.334 1.00 0.00 O ATOM 0 H SER A 89 -5.544 6.641 -3.960 1.00 0.00 H new ATOM 0 HA SER A 89 -3.312 5.002 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.888 6.867 -6.649 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.246 5.820 -7.008 1.00 0.00 H new ATOM 0 HG SER A 89 -4.781 8.064 -7.243 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.636 6.695 -4.061 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.719 7.493 -3.257 1.00 0.00 C ATOM 1336 C ALA A 90 0.640 7.620 -3.937 1.00 0.00 C ATOM 1337 O ALA A 90 1.013 6.786 -4.762 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.563 6.883 -1.872 1.00 0.00 C ATOM 0 H ALA A 90 -1.182 5.998 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.140 8.493 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.125 7.490 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.534 6.851 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.168 5.871 -1.962 1.00 0.00 H new ATOM 1344 N LYS A 91 1.376 8.670 -3.588 1.00 0.00 N ATOM 1345 CA LYS A 91 2.694 8.907 -4.164 1.00 0.00 C ATOM 1346 C LYS A 91 3.787 8.729 -3.114 1.00 0.00 C ATOM 1347 O LYS A 91 3.768 9.379 -2.068 1.00 0.00 O ATOM 1348 CB LYS A 91 2.768 10.315 -4.759 1.00 0.00 C ATOM 1349 CG LYS A 91 2.085 10.441 -6.110 1.00 0.00 C ATOM 1350 CD LYS A 91 2.657 11.593 -6.918 1.00 0.00 C ATOM 1351 CE LYS A 91 4.028 11.253 -7.481 1.00 0.00 C ATOM 1352 NZ LYS A 91 3.933 10.384 -8.686 1.00 0.00 N ATOM 0 H LYS A 91 1.081 9.371 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 91 2.853 8.176 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.311 11.019 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.814 10.602 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.203 9.511 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.015 10.593 -5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.978 11.838 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.731 12.479 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.554 12.173 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.620 10.750 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.888 10.175 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.454 9.495 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.390 10.874 -9.425 1.00 0.00 H new ATOM 1366 N LEU A 92 4.737 7.846 -3.400 1.00 0.00 N ATOM 1367 CA LEU A 92 5.840 7.584 -2.481 1.00 0.00 C ATOM 1368 C LEU A 92 7.157 8.106 -3.048 1.00 0.00 C ATOM 1369 O LEU A 92 7.671 7.578 -4.034 1.00 0.00 O ATOM 1370 CB LEU A 92 5.950 6.085 -2.200 1.00 0.00 C ATOM 1371 CG LEU A 92 6.859 5.685 -1.038 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.271 6.151 0.285 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.078 4.179 -1.025 1.00 0.00 C ATOM 0 H LEU A 92 4.766 7.299 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 92 5.635 8.108 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.950 5.698 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.310 5.592 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 92 7.825 6.171 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.932 5.857 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.167 7.236 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.292 5.694 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.727 3.913 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.119 3.673 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.545 3.871 -1.961 1.00 0.00 H new ATOM 1385 N SER A 93 7.698 9.142 -2.416 1.00 0.00 N ATOM 1386 CA SER A 93 8.954 9.736 -2.858 1.00 0.00 C ATOM 1387 C SER A 93 10.113 9.271 -1.981 1.00 0.00 C ATOM 1388 O SER A 93 10.120 9.496 -0.771 1.00 0.00 O ATOM 1389 CB SER A 93 8.859 11.263 -2.829 1.00 0.00 C ATOM 1390 OG SER A 93 8.212 11.755 -3.990 1.00 0.00 O ATOM 0 H SER A 93 7.286 9.588 -1.596 1.00 0.00 H new ATOM 0 HA SER A 93 9.141 9.410 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.311 11.580 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.859 11.692 -2.756 1.00 0.00 H new ATOM 0 HG SER A 93 8.162 12.733 -3.947 1.00 0.00 H new ATOM 1396 N VAL A 94 11.091 8.619 -2.601 1.00 0.00 N ATOM 1397 CA VAL A 94 12.257 8.122 -1.879 1.00 0.00 C ATOM 1398 C VAL A 94 13.478 8.997 -2.139 1.00 0.00 C ATOM 1399 O VAL A 94 13.902 9.165 -3.283 1.00 0.00 O ATOM 1400 CB VAL A 94 12.585 6.670 -2.275 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.826 6.185 -1.543 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.399 5.760 -1.992 1.00 0.00 C ATOM 0 H VAL A 94 11.099 8.422 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 94 12.010 8.154 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 94 12.789 6.640 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.042 5.157 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.672 6.822 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.654 6.228 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.648 4.738 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.162 5.792 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.536 6.097 -2.567 1.00 0.00 H new ATOM 1412 N ASP A 95 14.040 9.550 -1.071 1.00 0.00 N ATOM 1413 CA ASP A 95 15.215 10.407 -1.182 1.00 0.00 C ATOM 1414 C ASP A 95 16.402 9.800 -0.440 1.00 0.00 C ATOM 1415 O ASP A 95 16.246 8.858 0.337 1.00 0.00 O ATOM 1416 CB ASP A 95 14.911 11.801 -0.630 1.00 0.00 C ATOM 1417 CG ASP A 95 14.376 12.740 -1.693 1.00 0.00 C ATOM 1418 OD1 ASP A 95 15.015 12.856 -2.759 1.00 0.00 O ATOM 1419 OD2 ASP A 95 13.317 13.359 -1.458 1.00 0.00 O ATOM 0 H ASP A 95 13.701 9.421 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 95 15.474 10.492 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.183 11.718 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.818 12.224 -0.199 1.00 0.00 H new