USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 799 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 Single : A 10 LYS NZ :NH3+ 169:sc= -0.465 (180deg=-0.701) USER MOD Single : A 11 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0.0614 USER MOD Single : A 14 MET CE :methyl -178:sc= -8.19! (180deg=-8.2!) USER MOD Single : A 15 MET CE :methyl -135:sc= -5.47! (180deg=-9.27!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0.07 (180deg=0.0551) USER MOD Single : A 34 ASN : amide:sc= -1 K(o=-1,f=-5.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 148:sc= 0.356 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -130:sc= -1.49! (180deg=-1.79) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= -1.28 (180deg=-1.35) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 160:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00947) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -130:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc=-0.00709 (180deg=-0.106) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0804 F(o=-1.1,f=-0.08) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 99 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -1.2 F(o=-2.8!,f=-1.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.799 8.732 -2.409 1.00 0.00 N ATOM 67 CA VAL A 8 -10.487 8.551 -1.800 1.00 0.00 C ATOM 68 C VAL A 8 -10.514 8.913 -0.319 1.00 0.00 C ATOM 69 O VAL A 8 -10.951 10.001 0.057 1.00 0.00 O ATOM 70 CB VAL A 8 -9.418 9.405 -2.506 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.952 10.800 -2.794 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.151 9.473 -1.667 1.00 0.00 C ATOM 0 HA VAL A 8 -10.230 7.497 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.172 8.933 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.182 11.388 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.828 10.728 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.229 11.284 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.406 10.081 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.379 9.920 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.759 8.467 -1.518 1.00 0.00 H new ATOM 82 N LEU A 9 -10.044 7.994 0.517 1.00 0.00 N ATOM 83 CA LEU A 9 -10.013 8.216 1.959 1.00 0.00 C ATOM 84 C LEU A 9 -8.837 9.106 2.348 1.00 0.00 C ATOM 85 O LEU A 9 -9.009 10.127 3.013 1.00 0.00 O ATOM 86 CB LEU A 9 -9.923 6.880 2.698 1.00 0.00 C ATOM 87 CG LEU A 9 -10.766 5.739 2.128 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.300 4.402 2.682 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.240 5.960 2.433 1.00 0.00 C ATOM 0 H LEU A 9 -9.679 7.088 0.222 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.936 8.721 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.880 6.564 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.219 7.041 3.735 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.638 5.725 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.912 3.602 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.257 4.240 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.397 4.404 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.824 5.138 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.386 6.002 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.567 6.899 1.986 1.00 0.00 H new ATOM 101 N LYS A 10 -7.639 8.713 1.926 1.00 0.00 N ATOM 102 CA LYS A 10 -6.433 9.475 2.226 1.00 0.00 C ATOM 103 C LYS A 10 -5.649 9.776 0.953 1.00 0.00 C ATOM 104 O LYS A 10 -5.776 9.069 -0.046 1.00 0.00 O ATOM 105 CB LYS A 10 -5.551 8.706 3.212 1.00 0.00 C ATOM 106 CG LYS A 10 -4.738 9.603 4.128 1.00 0.00 C ATOM 107 CD LYS A 10 -3.854 8.793 5.062 1.00 0.00 C ATOM 108 CE LYS A 10 -3.321 9.645 6.204 1.00 0.00 C ATOM 109 NZ LYS A 10 -4.417 10.167 7.065 1.00 0.00 N ATOM 0 H LYS A 10 -7.478 7.870 1.375 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.733 10.420 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.181 8.056 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.873 8.061 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.120 10.271 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.410 10.230 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.422 7.955 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.020 8.372 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.635 9.053 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.749 10.480 5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.012 10.582 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.948 10.896 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.057 9.389 7.322 1.00 0.00 H new ATOM 123 N GLN A 11 -4.837 10.827 0.998 1.00 0.00 N ATOM 124 CA GLN A 11 -4.031 11.219 -0.152 1.00 0.00 C ATOM 125 C GLN A 11 -2.845 12.074 0.281 1.00 0.00 C ATOM 126 O GLN A 11 -2.998 13.023 1.050 1.00 0.00 O ATOM 127 CB GLN A 11 -4.886 11.986 -1.162 1.00 0.00 C ATOM 128 CG GLN A 11 -5.522 13.243 -0.592 1.00 0.00 C ATOM 129 CD GLN A 11 -6.739 13.690 -1.378 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.857 13.696 -0.863 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.526 14.069 -2.633 1.00 0.00 N ATOM 0 H GLN A 11 -4.720 11.422 1.818 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.650 10.313 -0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.267 12.258 -2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.672 11.328 -1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.810 13.062 0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.785 14.046 -0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.582 14.048 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.306 14.381 -3.211 1.00 0.00 H new ATOM 140 N GLY A 12 -1.661 11.732 -0.219 1.00 0.00 N ATOM 141 CA GLY A 12 -0.466 12.478 0.128 1.00 0.00 C ATOM 142 C GLY A 12 0.706 12.148 -0.775 1.00 0.00 C ATOM 143 O GLY A 12 0.588 11.323 -1.681 1.00 0.00 O ATOM 0 H GLY A 12 -1.509 10.952 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.678 13.546 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.195 12.264 1.162 1.00 0.00 H new ATOM 147 N TYR A 13 1.841 12.794 -0.530 1.00 0.00 N ATOM 148 CA TYR A 13 3.038 12.568 -1.330 1.00 0.00 C ATOM 149 C TYR A 13 4.044 11.706 -0.574 1.00 0.00 C ATOM 150 O TYR A 13 4.707 12.173 0.351 1.00 0.00 O ATOM 151 CB TYR A 13 3.680 13.902 -1.714 1.00 0.00 C ATOM 152 CG TYR A 13 3.149 14.480 -3.007 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.316 13.808 -4.211 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.479 15.697 -3.023 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.833 14.332 -5.395 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.992 16.229 -4.201 1.00 0.00 C ATOM 157 CZ TYR A 13 2.171 15.543 -5.385 1.00 0.00 C ATOM 158 OH TYR A 13 1.688 16.068 -6.561 1.00 0.00 O ATOM 0 H TYR A 13 1.957 13.479 0.217 1.00 0.00 H new ATOM 0 HA TYR A 13 2.743 12.040 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.515 14.620 -0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.758 13.765 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.832 12.859 -4.222 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.336 16.236 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.973 13.797 -6.323 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.474 17.177 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 13 1.247 16.924 -6.380 1.00 0.00 H new ATOM 168 N MET A 14 4.152 10.443 -0.976 1.00 0.00 N ATOM 169 CA MET A 14 5.078 9.515 -0.338 1.00 0.00 C ATOM 170 C MET A 14 6.164 9.074 -1.314 1.00 0.00 C ATOM 171 O MET A 14 6.068 9.319 -2.516 1.00 0.00 O ATOM 172 CB MET A 14 4.325 8.293 0.192 1.00 0.00 C ATOM 173 CG MET A 14 3.189 8.643 1.138 1.00 0.00 C ATOM 174 SD MET A 14 1.606 8.813 0.291 1.00 0.00 S ATOM 175 CE MET A 14 1.081 7.102 0.208 1.00 0.00 C ATOM 0 H MET A 14 3.610 10.040 -1.740 1.00 0.00 H new ATOM 0 HA MET A 14 5.552 10.030 0.497 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.925 7.730 -0.651 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.028 7.639 0.708 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.107 7.870 1.902 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.424 9.575 1.652 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.131 7.038 -0.323 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.832 6.516 -0.321 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.960 6.709 1.218 1.00 0.00 H new ATOM 185 N MET A 15 7.197 8.423 -0.789 1.00 0.00 N ATOM 186 CA MET A 15 8.300 7.947 -1.615 1.00 0.00 C ATOM 187 C MET A 15 8.255 6.430 -1.761 1.00 0.00 C ATOM 188 O MET A 15 8.489 5.696 -0.800 1.00 0.00 O ATOM 189 CB MET A 15 9.639 8.374 -1.010 1.00 0.00 C ATOM 190 CG MET A 15 9.835 9.881 -0.969 1.00 0.00 C ATOM 191 SD MET A 15 11.562 10.350 -0.746 1.00 0.00 S ATOM 192 CE MET A 15 12.145 10.312 -2.439 1.00 0.00 C ATOM 0 H MET A 15 7.293 8.213 0.205 1.00 0.00 H new ATOM 0 HA MET A 15 8.198 8.392 -2.605 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.713 7.979 0.003 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.448 7.926 -1.587 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.460 10.318 -1.895 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.241 10.299 -0.156 1.00 0.00 H new ATOM 0 HE1 MET A 15 13.106 9.800 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.424 9.781 -3.060 1.00 0.00 H new ATOM 0 HE3 MET A 15 12.260 11.331 -2.807 1.00 0.00 H new ATOM 202 N LYS A 16 7.953 5.965 -2.968 1.00 0.00 N ATOM 203 CA LYS A 16 7.878 4.535 -3.241 1.00 0.00 C ATOM 204 C LYS A 16 9.172 4.033 -3.872 1.00 0.00 C ATOM 205 O LYS A 16 9.666 4.608 -4.843 1.00 0.00 O ATOM 206 CB LYS A 16 6.696 4.232 -4.166 1.00 0.00 C ATOM 207 CG LYS A 16 6.658 2.794 -4.653 1.00 0.00 C ATOM 208 CD LYS A 16 5.759 2.641 -5.869 1.00 0.00 C ATOM 209 CE LYS A 16 5.246 1.216 -6.007 1.00 0.00 C ATOM 210 NZ LYS A 16 6.342 0.260 -6.326 1.00 0.00 N ATOM 0 H LYS A 16 7.756 6.559 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 16 7.732 4.017 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.768 4.453 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.740 4.898 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.667 2.466 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.301 2.147 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.915 3.326 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.310 2.919 -6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.759 0.914 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.490 1.177 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.951 -0.700 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.790 0.533 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.051 0.278 -5.565 1.00 0.00 H new ATOM 224 N LYS A 17 9.717 2.956 -3.317 1.00 0.00 N ATOM 225 CA LYS A 17 10.953 2.373 -3.826 1.00 0.00 C ATOM 226 C LYS A 17 10.736 1.754 -5.203 1.00 0.00 C ATOM 227 O LYS A 17 10.159 0.674 -5.325 1.00 0.00 O ATOM 228 CB LYS A 17 11.480 1.314 -2.856 1.00 0.00 C ATOM 229 CG LYS A 17 12.973 1.064 -2.980 1.00 0.00 C ATOM 230 CD LYS A 17 13.557 0.524 -1.685 1.00 0.00 C ATOM 231 CE LYS A 17 15.071 0.668 -1.653 1.00 0.00 C ATOM 232 NZ LYS A 17 15.754 -0.526 -2.222 1.00 0.00 N ATOM 0 H LYS A 17 9.321 2.468 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 17 11.690 3.171 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.256 1.625 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.948 0.378 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.158 0.355 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.477 1.992 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.122 1.056 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.288 -0.526 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.363 1.555 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.400 0.819 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.784 -0.389 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.495 -1.369 -1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.460 -0.655 -3.211 1.00 0.00 H new ATOM 355 N TRP A 24 13.957 6.321 -4.590 1.00 0.00 N ATOM 356 CA TRP A 24 12.827 6.923 -3.890 1.00 0.00 C ATOM 357 C TRP A 24 12.312 8.148 -4.639 1.00 0.00 C ATOM 358 O TRP A 24 13.047 9.113 -4.849 1.00 0.00 O ATOM 359 CB TRP A 24 13.231 7.312 -2.467 1.00 0.00 C ATOM 360 CG TRP A 24 13.607 6.138 -1.615 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.862 5.793 -1.202 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.720 5.153 -1.073 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.809 4.654 -0.436 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.506 4.242 -0.341 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.338 4.953 -1.134 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.955 3.149 0.322 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.792 3.868 -0.475 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.599 2.977 0.246 1.00 0.00 C ATOM 0 HA TRP A 24 12.026 6.186 -3.844 1.00 0.00 H new ATOM 0 HB2 TRP A 24 14.072 8.004 -2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.405 7.845 -1.995 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.764 6.336 -1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.610 4.190 -0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.708 5.634 -1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.575 2.461 0.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.725 3.704 -0.516 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.142 2.139 0.751 1.00 0.00 H new ATOM 379 N THR A 25 11.045 8.102 -5.039 1.00 0.00 N ATOM 380 CA THR A 25 10.433 9.208 -5.764 1.00 0.00 C ATOM 381 C THR A 25 9.105 9.612 -5.133 1.00 0.00 C ATOM 382 O THR A 25 8.302 8.759 -4.759 1.00 0.00 O ATOM 383 CB THR A 25 10.197 8.847 -7.243 1.00 0.00 C ATOM 384 OG1 THR A 25 9.597 9.953 -7.927 1.00 0.00 O ATOM 385 CG2 THR A 25 9.303 7.623 -7.365 1.00 0.00 C ATOM 0 H THR A 25 10.423 7.311 -4.873 1.00 0.00 H new ATOM 0 HA THR A 25 11.128 10.046 -5.708 1.00 0.00 H new ATOM 0 HB THR A 25 11.161 8.619 -7.697 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.452 9.717 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.151 7.387 -8.418 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.776 6.776 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.341 7.827 -6.896 1.00 0.00 H new ATOM 393 N GLU A 26 8.882 10.917 -5.020 1.00 0.00 N ATOM 394 CA GLU A 26 7.650 11.433 -4.434 1.00 0.00 C ATOM 395 C GLU A 26 6.478 11.265 -5.396 1.00 0.00 C ATOM 396 O GLU A 26 6.300 12.059 -6.319 1.00 0.00 O ATOM 397 CB GLU A 26 7.814 12.909 -4.064 1.00 0.00 C ATOM 398 CG GLU A 26 6.680 13.452 -3.211 1.00 0.00 C ATOM 399 CD GLU A 26 6.936 14.868 -2.733 1.00 0.00 C ATOM 400 OE1 GLU A 26 6.897 15.793 -3.570 1.00 0.00 O ATOM 401 OE2 GLU A 26 7.176 15.050 -1.521 1.00 0.00 O ATOM 0 H GLU A 26 9.537 11.636 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 26 7.440 10.861 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.754 13.038 -3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.884 13.498 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.754 13.428 -3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.536 12.802 -2.348 1.00 0.00 H new ATOM 408 N ARG A 27 5.681 10.225 -5.172 1.00 0.00 N ATOM 409 CA ARG A 27 4.527 9.950 -6.020 1.00 0.00 C ATOM 410 C ARG A 27 3.226 10.148 -5.247 1.00 0.00 C ATOM 411 O ARG A 27 3.157 9.874 -4.049 1.00 0.00 O ATOM 412 CB ARG A 27 4.596 8.523 -6.566 1.00 0.00 C ATOM 413 CG ARG A 27 3.321 8.075 -7.261 1.00 0.00 C ATOM 414 CD ARG A 27 3.316 8.473 -8.728 1.00 0.00 C ATOM 415 NE ARG A 27 3.730 9.861 -8.920 1.00 0.00 N ATOM 416 CZ ARG A 27 4.977 10.225 -9.195 1.00 0.00 C ATOM 417 NH1 ARG A 27 5.928 9.308 -9.311 1.00 0.00 N ATOM 418 NH2 ARG A 27 5.275 11.508 -9.356 1.00 0.00 N ATOM 0 H ARG A 27 5.813 9.559 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 27 4.545 10.651 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.427 8.451 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.812 7.839 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.220 6.993 -7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.459 8.516 -6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.984 7.815 -9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.316 8.333 -9.138 1.00 0.00 H new ATOM 0 HE ARG A 27 3.022 10.591 -8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.702 8.321 -9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.885 9.590 -9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.546 12.216 -9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.233 11.786 -9.567 1.00 0.00 H new ATOM 432 N TRP A 28 2.199 10.625 -5.941 1.00 0.00 N ATOM 433 CA TRP A 28 0.901 10.860 -5.319 1.00 0.00 C ATOM 434 C TRP A 28 0.144 9.551 -5.128 1.00 0.00 C ATOM 435 O TRP A 28 -0.019 8.773 -6.069 1.00 0.00 O ATOM 436 CB TRP A 28 0.071 11.823 -6.171 1.00 0.00 C ATOM 437 CG TRP A 28 -1.102 12.402 -5.440 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.423 12.196 -5.718 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.060 13.283 -4.313 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.205 12.896 -4.832 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.393 13.570 -3.958 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.027 13.856 -3.566 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.716 14.405 -2.892 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.350 14.684 -2.509 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.685 14.952 -2.179 1.00 0.00 C ATOM 0 H TRP A 28 2.240 10.856 -6.934 1.00 0.00 H new ATOM 0 HA TRP A 28 1.071 11.306 -4.339 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.711 12.635 -6.517 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.285 11.298 -7.057 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.798 11.574 -6.517 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.225 12.912 -4.826 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.005 13.655 -3.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.745 14.614 -2.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.441 15.133 -1.926 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.904 15.603 -1.346 1.00 0.00 H new ATOM 456 N PHE A 29 -0.317 9.312 -3.905 1.00 0.00 N ATOM 457 CA PHE A 29 -1.057 8.095 -3.591 1.00 0.00 C ATOM 458 C PHE A 29 -2.509 8.414 -3.248 1.00 0.00 C ATOM 459 O PHE A 29 -2.809 9.467 -2.685 1.00 0.00 O ATOM 460 CB PHE A 29 -0.396 7.358 -2.424 1.00 0.00 C ATOM 461 CG PHE A 29 0.674 6.395 -2.853 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.980 6.823 -3.029 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.374 5.061 -3.080 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.967 5.940 -3.423 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.358 4.173 -3.474 1.00 0.00 C ATOM 466 CZ PHE A 29 2.655 4.613 -3.647 1.00 0.00 C ATOM 0 H PHE A 29 -0.191 9.945 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.043 7.454 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.037 8.089 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.160 6.815 -1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.230 7.859 -2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.639 4.711 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.981 6.287 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.112 3.136 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.424 3.921 -3.957 1.00 0.00 H new ATOM 476 N VAL A 30 -3.408 7.497 -3.592 1.00 0.00 N ATOM 477 CA VAL A 30 -4.829 7.679 -3.321 1.00 0.00 C ATOM 478 C VAL A 30 -5.424 6.444 -2.654 1.00 0.00 C ATOM 479 O VAL A 30 -5.740 5.457 -3.320 1.00 0.00 O ATOM 480 CB VAL A 30 -5.612 7.980 -4.612 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.102 8.078 -4.322 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.102 9.259 -5.258 1.00 0.00 C ATOM 0 H VAL A 30 -3.177 6.620 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.916 8.530 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.455 7.159 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.639 8.291 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.455 7.134 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.281 8.879 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.667 9.457 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.228 10.091 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.046 9.147 -5.503 1.00 0.00 H new ATOM 492 N LEU A 31 -5.575 6.504 -1.336 1.00 0.00 N ATOM 493 CA LEU A 31 -6.133 5.390 -0.578 1.00 0.00 C ATOM 494 C LEU A 31 -7.646 5.311 -0.761 1.00 0.00 C ATOM 495 O LEU A 31 -8.406 5.917 -0.006 1.00 0.00 O ATOM 496 CB LEU A 31 -5.795 5.537 0.907 1.00 0.00 C ATOM 497 CG LEU A 31 -6.618 4.682 1.871 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.567 3.218 1.461 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.118 4.855 3.297 1.00 0.00 C ATOM 0 H LEU A 31 -5.319 7.313 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.691 4.468 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.742 5.293 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.919 6.584 1.185 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.655 5.015 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.158 2.624 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.973 3.107 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.533 2.872 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.715 4.239 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.074 4.549 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.206 5.901 3.589 1.00 0.00 H new ATOM 511 N LYS A 32 -8.076 4.557 -1.767 1.00 0.00 N ATOM 512 CA LYS A 32 -9.497 4.394 -2.048 1.00 0.00 C ATOM 513 C LYS A 32 -10.163 3.516 -0.994 1.00 0.00 C ATOM 514 O LYS A 32 -9.504 2.796 -0.244 1.00 0.00 O ATOM 515 CB LYS A 32 -9.696 3.781 -3.437 1.00 0.00 C ATOM 516 CG LYS A 32 -9.777 4.812 -4.550 1.00 0.00 C ATOM 517 CD LYS A 32 -11.093 5.571 -4.512 1.00 0.00 C ATOM 518 CE LYS A 32 -11.102 6.721 -5.508 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.393 7.462 -5.488 1.00 0.00 N ATOM 0 H LYS A 32 -7.460 4.049 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.962 5.379 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.873 3.098 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.610 3.187 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.948 5.514 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.669 4.316 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.914 4.889 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.263 5.957 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.286 7.407 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.921 6.334 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.419 8.136 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.181 6.789 -5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.483 7.979 -4.590 1.00 0.00 H new ATOM 533 N PRO A 33 -11.502 3.575 -0.933 1.00 0.00 N ATOM 534 CA PRO A 33 -12.286 2.790 0.025 1.00 0.00 C ATOM 535 C PRO A 33 -12.268 1.299 -0.295 1.00 0.00 C ATOM 536 O PRO A 33 -12.443 0.463 0.590 1.00 0.00 O ATOM 537 CB PRO A 33 -13.701 3.353 -0.130 1.00 0.00 C ATOM 538 CG PRO A 33 -13.740 3.905 -1.513 1.00 0.00 C ATOM 539 CD PRO A 33 -12.353 4.411 -1.796 1.00 0.00 C ATOM 0 HA PRO A 33 -11.890 2.868 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.453 2.576 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.903 4.127 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.030 3.138 -2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.472 4.709 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.091 4.299 -2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.254 5.469 -1.554 1.00 0.00 H new ATOM 547 N ASN A 34 -12.056 0.974 -1.566 1.00 0.00 N ATOM 548 CA ASN A 34 -12.015 -0.417 -2.002 1.00 0.00 C ATOM 549 C ASN A 34 -10.835 -0.660 -2.938 1.00 0.00 C ATOM 550 O ASN A 34 -10.870 -1.561 -3.777 1.00 0.00 O ATOM 551 CB ASN A 34 -13.322 -0.792 -2.703 1.00 0.00 C ATOM 552 CG ASN A 34 -14.544 -0.430 -1.881 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.778 0.741 -1.580 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.330 -1.435 -1.514 1.00 0.00 N ATOM 0 H ASN A 34 -11.910 1.654 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.890 -1.044 -1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.373 -0.285 -3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.328 -1.863 -2.906 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.167 -1.252 -0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.097 -2.390 -1.786 1.00 0.00 H new ATOM 561 N ILE A 35 -9.792 0.150 -2.789 1.00 0.00 N ATOM 562 CA ILE A 35 -8.601 0.023 -3.620 1.00 0.00 C ATOM 563 C ILE A 35 -7.556 1.069 -3.247 1.00 0.00 C ATOM 564 O ILE A 35 -7.779 1.894 -2.360 1.00 0.00 O ATOM 565 CB ILE A 35 -8.941 0.163 -5.115 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.883 -0.540 -5.969 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.048 1.631 -5.499 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.442 -1.175 -7.222 1.00 0.00 C ATOM 0 H ILE A 35 -9.748 0.901 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.195 -0.972 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.905 -0.312 -5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.115 0.182 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.395 -1.308 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.289 1.713 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.834 2.105 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.098 2.128 -5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.636 -1.654 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.189 -1.921 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.905 -0.408 -7.843 1.00 0.00 H new ATOM 580 N ILE A 36 -6.418 1.030 -3.930 1.00 0.00 N ATOM 581 CA ILE A 36 -5.340 1.976 -3.673 1.00 0.00 C ATOM 582 C ILE A 36 -4.542 2.260 -4.941 1.00 0.00 C ATOM 583 O ILE A 36 -3.746 1.432 -5.384 1.00 0.00 O ATOM 584 CB ILE A 36 -4.382 1.457 -2.584 1.00 0.00 C ATOM 585 CG1 ILE A 36 -5.111 1.349 -1.242 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.172 2.370 -2.463 1.00 0.00 C ATOM 587 CD1 ILE A 36 -4.225 0.881 -0.109 1.00 0.00 C ATOM 0 H ILE A 36 -6.218 0.353 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.807 2.898 -3.326 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.036 0.464 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.530 2.322 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.948 0.659 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.505 1.989 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.643 2.401 -3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.500 3.375 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.808 0.828 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.826 -0.106 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.402 1.583 0.023 1.00 0.00 H new ATOM 599 N SER A 37 -4.761 3.436 -5.521 1.00 0.00 N ATOM 600 CA SER A 37 -4.065 3.829 -6.740 1.00 0.00 C ATOM 601 C SER A 37 -3.183 5.049 -6.493 1.00 0.00 C ATOM 602 O SER A 37 -3.393 5.797 -5.538 1.00 0.00 O ATOM 603 CB SER A 37 -5.070 4.129 -7.853 1.00 0.00 C ATOM 604 OG SER A 37 -5.828 2.977 -8.181 1.00 0.00 O ATOM 0 H SER A 37 -5.415 4.133 -5.166 1.00 0.00 H new ATOM 0 HA SER A 37 -3.429 2.999 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.738 4.930 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.542 4.485 -8.738 1.00 0.00 H new ATOM 0 HG SER A 37 -6.464 3.196 -8.894 1.00 0.00 H new ATOM 610 N TYR A 38 -2.195 5.242 -7.359 1.00 0.00 N ATOM 611 CA TYR A 38 -1.278 6.369 -7.235 1.00 0.00 C ATOM 612 C TYR A 38 -1.119 7.091 -8.569 1.00 0.00 C ATOM 613 O TYR A 38 -0.852 6.469 -9.597 1.00 0.00 O ATOM 614 CB TYR A 38 0.086 5.891 -6.735 1.00 0.00 C ATOM 615 CG TYR A 38 0.610 4.678 -7.470 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.140 3.405 -7.173 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.574 4.805 -8.463 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.616 2.294 -7.841 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.054 3.700 -9.137 1.00 0.00 C ATOM 620 CZ TYR A 38 1.573 2.446 -8.823 1.00 0.00 C ATOM 621 OH TYR A 38 2.049 1.342 -9.492 1.00 0.00 O ATOM 0 H TYR A 38 -2.008 4.632 -8.155 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.698 7.068 -6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.805 6.704 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.013 5.658 -5.673 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.611 3.282 -6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.954 5.785 -8.712 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.241 1.311 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.803 3.817 -9.907 1.00 0.00 H new ATOM 0 HH TYR A 38 2.717 1.622 -10.152 1.00 0.00 H new ATOM 631 N TYR A 39 -1.283 8.409 -8.544 1.00 0.00 N ATOM 632 CA TYR A 39 -1.160 9.218 -9.751 1.00 0.00 C ATOM 633 C TYR A 39 0.160 9.982 -9.762 1.00 0.00 C ATOM 634 O TYR A 39 0.772 10.204 -8.716 1.00 0.00 O ATOM 635 CB TYR A 39 -2.330 10.198 -9.855 1.00 0.00 C ATOM 636 CG TYR A 39 -3.676 9.522 -9.982 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.354 9.064 -8.859 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.270 9.340 -11.225 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.584 8.445 -8.970 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.501 8.723 -11.345 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.153 8.277 -10.215 1.00 0.00 C ATOM 642 OH TYR A 39 -7.379 7.661 -10.331 1.00 0.00 O ATOM 0 H TYR A 39 -1.501 8.940 -7.701 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.179 8.548 -10.610 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.336 10.838 -8.973 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.175 10.846 -10.718 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.912 9.194 -7.882 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.761 9.687 -12.112 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.097 8.095 -8.087 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.950 8.591 -12.318 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.638 7.623 -11.275 1.00 0.00 H new ATOM 652 N VAL A 40 0.594 10.384 -10.952 1.00 0.00 N ATOM 653 CA VAL A 40 1.841 11.126 -11.101 1.00 0.00 C ATOM 654 C VAL A 40 1.852 12.366 -10.215 1.00 0.00 C ATOM 655 O VAL A 40 2.840 12.648 -9.537 1.00 0.00 O ATOM 656 CB VAL A 40 2.069 11.552 -12.564 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.342 12.374 -12.688 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.122 10.332 -13.471 1.00 0.00 C ATOM 0 H VAL A 40 0.101 10.208 -11.827 1.00 0.00 H new ATOM 0 HA VAL A 40 2.646 10.457 -10.795 1.00 0.00 H new ATOM 0 HB VAL A 40 1.231 12.174 -12.878 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.487 12.666 -13.728 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.260 13.267 -12.068 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.193 11.779 -12.356 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.284 10.651 -14.501 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.940 9.682 -13.160 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.180 9.787 -13.403 1.00 0.00 H new ATOM 668 N SER A 41 0.746 13.104 -10.224 1.00 0.00 N ATOM 669 CA SER A 41 0.630 14.316 -9.423 1.00 0.00 C ATOM 670 C SER A 41 -0.623 14.275 -8.553 1.00 0.00 C ATOM 671 O SER A 41 -1.386 13.310 -8.592 1.00 0.00 O ATOM 672 CB SER A 41 0.595 15.549 -10.328 1.00 0.00 C ATOM 673 OG SER A 41 -0.497 15.490 -11.230 1.00 0.00 O ATOM 0 H SER A 41 -0.082 12.883 -10.777 1.00 0.00 H new ATOM 0 HA SER A 41 1.502 14.376 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.519 16.449 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.528 15.621 -10.886 1.00 0.00 H new ATOM 0 HG SER A 41 -0.813 16.398 -11.420 1.00 0.00 H new ATOM 679 N GLU A 42 -0.827 15.329 -7.769 1.00 0.00 N ATOM 680 CA GLU A 42 -1.987 15.412 -6.889 1.00 0.00 C ATOM 681 C GLU A 42 -3.205 15.937 -7.643 1.00 0.00 C ATOM 682 O GLU A 42 -4.034 16.654 -7.081 1.00 0.00 O ATOM 683 CB GLU A 42 -1.683 16.318 -5.694 1.00 0.00 C ATOM 684 CG GLU A 42 -1.603 17.792 -6.052 1.00 0.00 C ATOM 685 CD GLU A 42 -1.056 18.639 -4.919 1.00 0.00 C ATOM 686 OE1 GLU A 42 -1.162 18.209 -3.752 1.00 0.00 O ATOM 687 OE2 GLU A 42 -0.522 19.732 -5.201 1.00 0.00 O ATOM 0 H GLU A 42 -0.205 16.136 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.210 14.408 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.455 16.178 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.738 16.010 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.970 17.915 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.596 18.151 -6.322 1.00 0.00 H new ATOM 694 N ASP A 43 -3.306 15.576 -8.917 1.00 0.00 N ATOM 695 CA ASP A 43 -4.423 16.010 -9.749 1.00 0.00 C ATOM 696 C ASP A 43 -5.379 14.853 -10.020 1.00 0.00 C ATOM 697 O ASP A 43 -6.585 15.054 -10.172 1.00 0.00 O ATOM 698 CB ASP A 43 -3.909 16.584 -11.070 1.00 0.00 C ATOM 699 CG ASP A 43 -2.907 17.703 -10.865 1.00 0.00 C ATOM 700 OD1 ASP A 43 -2.951 18.351 -9.798 1.00 0.00 O ATOM 701 OD2 ASP A 43 -2.078 17.930 -11.770 1.00 0.00 O ATOM 0 H ASP A 43 -2.628 14.984 -9.397 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.965 16.787 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.446 15.788 -11.653 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.751 16.957 -11.653 1.00 0.00 H new ATOM 706 N LEU A 44 -4.835 13.643 -10.080 1.00 0.00 N ATOM 707 CA LEU A 44 -5.640 12.453 -10.334 1.00 0.00 C ATOM 708 C LEU A 44 -6.100 12.408 -11.788 1.00 0.00 C ATOM 709 O LEU A 44 -7.248 12.070 -12.076 1.00 0.00 O ATOM 710 CB LEU A 44 -6.852 12.425 -9.402 1.00 0.00 C ATOM 711 CG LEU A 44 -6.584 12.786 -7.941 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.890 12.904 -7.171 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.673 11.752 -7.294 1.00 0.00 C ATOM 0 H LEU A 44 -3.839 13.460 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.021 11.577 -10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.602 13.112 -9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.287 11.426 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.081 13.753 -7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.679 13.161 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.508 13.682 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.421 11.953 -7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.493 12.025 -6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.148 10.772 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.724 11.717 -7.829 1.00 0.00 H new ATOM 725 N LYS A 45 -5.196 12.749 -12.700 1.00 0.00 N ATOM 726 CA LYS A 45 -5.507 12.744 -14.125 1.00 0.00 C ATOM 727 C LYS A 45 -4.790 11.600 -14.834 1.00 0.00 C ATOM 728 O LYS A 45 -5.369 10.924 -15.685 1.00 0.00 O ATOM 729 CB LYS A 45 -5.112 14.079 -14.759 1.00 0.00 C ATOM 730 CG LYS A 45 -5.797 15.279 -14.128 1.00 0.00 C ATOM 731 CD LYS A 45 -7.111 15.599 -14.820 1.00 0.00 C ATOM 732 CE LYS A 45 -7.603 16.994 -14.466 1.00 0.00 C ATOM 733 NZ LYS A 45 -8.760 17.405 -15.308 1.00 0.00 N ATOM 0 H LYS A 45 -4.242 13.032 -12.478 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.582 12.600 -14.236 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.032 14.204 -14.679 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.352 14.052 -15.822 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.980 15.081 -13.072 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.137 16.145 -14.180 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.983 15.520 -15.900 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.863 14.863 -14.534 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.891 17.022 -13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.790 17.709 -14.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.065 18.361 -15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.479 17.404 -16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.545 16.738 -15.168 1.00 0.00 H new ATOM 747 N ASP A 46 -3.528 11.387 -14.478 1.00 0.00 N ATOM 748 CA ASP A 46 -2.733 10.323 -15.079 1.00 0.00 C ATOM 749 C ASP A 46 -2.363 9.268 -14.041 1.00 0.00 C ATOM 750 O ASP A 46 -1.411 9.439 -13.278 1.00 0.00 O ATOM 751 CB ASP A 46 -1.465 10.900 -15.712 1.00 0.00 C ATOM 752 CG ASP A 46 -1.762 11.743 -16.936 1.00 0.00 C ATOM 753 OD1 ASP A 46 -2.427 11.232 -17.861 1.00 0.00 O ATOM 754 OD2 ASP A 46 -1.328 12.914 -16.970 1.00 0.00 O ATOM 0 H ASP A 46 -3.034 11.937 -13.776 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.334 9.848 -15.855 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.938 11.507 -14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.797 10.084 -15.989 1.00 0.00 H new ATOM 759 N LYS A 47 -3.123 8.179 -14.016 1.00 0.00 N ATOM 760 CA LYS A 47 -2.876 7.095 -13.071 1.00 0.00 C ATOM 761 C LYS A 47 -1.696 6.240 -13.521 1.00 0.00 C ATOM 762 O LYS A 47 -1.396 6.153 -14.712 1.00 0.00 O ATOM 763 CB LYS A 47 -4.125 6.223 -12.927 1.00 0.00 C ATOM 764 CG LYS A 47 -4.059 5.254 -11.759 1.00 0.00 C ATOM 765 CD LYS A 47 -5.321 4.414 -11.659 1.00 0.00 C ATOM 766 CE LYS A 47 -5.340 3.309 -12.704 1.00 0.00 C ATOM 767 NZ LYS A 47 -4.330 2.254 -12.413 1.00 0.00 N ATOM 0 H LYS A 47 -3.915 8.023 -14.639 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.635 7.537 -12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.996 6.867 -12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.272 5.659 -13.848 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.194 4.601 -11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.916 5.809 -10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.390 3.976 -10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.195 5.052 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.333 2.861 -12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.146 3.736 -13.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.766 2.069 -13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.704 2.575 -11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.814 1.381 -12.122 1.00 0.00 H new ATOM 781 N LYS A 48 -1.029 5.609 -12.560 1.00 0.00 N ATOM 782 CA LYS A 48 0.117 4.758 -12.857 1.00 0.00 C ATOM 783 C LYS A 48 -0.230 3.286 -12.651 1.00 0.00 C ATOM 784 O LYS A 48 0.146 2.432 -13.453 1.00 0.00 O ATOM 785 CB LYS A 48 1.305 5.140 -11.971 1.00 0.00 C ATOM 786 CG LYS A 48 1.804 6.556 -12.202 1.00 0.00 C ATOM 787 CD LYS A 48 2.567 6.672 -13.511 1.00 0.00 C ATOM 788 CE LYS A 48 4.039 6.334 -13.330 1.00 0.00 C ATOM 789 NZ LYS A 48 4.857 6.773 -14.495 1.00 0.00 N ATOM 0 H LYS A 48 -1.263 5.671 -11.569 1.00 0.00 H new ATOM 0 HA LYS A 48 0.387 4.907 -13.902 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.018 5.031 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.122 4.442 -12.152 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.958 7.244 -12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.449 6.855 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.127 6.003 -14.250 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.471 7.685 -13.901 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.412 6.811 -12.424 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.150 5.258 -13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.854 6.524 -14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.518 6.299 -15.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.772 7.803 -14.611 1.00 0.00 H new ATOM 803 N GLY A 49 -0.951 2.998 -11.572 1.00 0.00 N ATOM 804 CA GLY A 49 -1.337 1.630 -11.282 1.00 0.00 C ATOM 805 C GLY A 49 -2.418 1.545 -10.222 1.00 0.00 C ATOM 806 O GLY A 49 -2.767 2.548 -9.600 1.00 0.00 O ATOM 0 H GLY A 49 -1.275 3.688 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.691 1.154 -12.196 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.462 1.071 -10.950 1.00 0.00 H new ATOM 810 N ASP A 50 -2.949 0.345 -10.017 1.00 0.00 N ATOM 811 CA ASP A 50 -3.997 0.132 -9.025 1.00 0.00 C ATOM 812 C ASP A 50 -3.688 -1.085 -8.159 1.00 0.00 C ATOM 813 O ASP A 50 -3.239 -2.117 -8.660 1.00 0.00 O ATOM 814 CB ASP A 50 -5.351 -0.047 -9.713 1.00 0.00 C ATOM 815 CG ASP A 50 -5.254 -0.882 -10.975 1.00 0.00 C ATOM 816 OD1 ASP A 50 -4.607 -0.425 -11.941 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.823 -1.993 -10.997 1.00 0.00 O ATOM 0 H ASP A 50 -2.671 -0.495 -10.524 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.038 1.011 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.047 -0.520 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.762 0.932 -9.959 1.00 0.00 H new ATOM 822 N ILE A 51 -3.929 -0.957 -6.859 1.00 0.00 N ATOM 823 CA ILE A 51 -3.676 -2.046 -5.924 1.00 0.00 C ATOM 824 C ILE A 51 -4.980 -2.603 -5.364 1.00 0.00 C ATOM 825 O ILE A 51 -5.508 -2.098 -4.372 1.00 0.00 O ATOM 826 CB ILE A 51 -2.781 -1.590 -4.757 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.461 -1.026 -5.287 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.525 -2.746 -3.802 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.832 0.002 -4.373 1.00 0.00 C ATOM 0 H ILE A 51 -4.299 -0.109 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.160 -2.828 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.297 -0.801 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.759 -1.846 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.635 -0.574 -6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.891 -2.407 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.474 -3.105 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.027 -3.555 -4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.100 0.358 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.516 0.841 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.626 -0.451 -3.403 1.00 0.00 H new ATOM 841 N LEU A 52 -5.493 -3.649 -6.002 1.00 0.00 N ATOM 842 CA LEU A 52 -6.735 -4.278 -5.566 1.00 0.00 C ATOM 843 C LEU A 52 -6.694 -4.587 -4.073 1.00 0.00 C ATOM 844 O LEU A 52 -5.984 -5.493 -3.635 1.00 0.00 O ATOM 845 CB LEU A 52 -6.984 -5.563 -6.358 1.00 0.00 C ATOM 846 CG LEU A 52 -6.900 -5.441 -7.880 1.00 0.00 C ATOM 847 CD1 LEU A 52 -7.006 -6.811 -8.532 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.987 -4.514 -8.402 1.00 0.00 C ATOM 0 H LEU A 52 -5.068 -4.080 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.552 -3.580 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.262 -6.312 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.973 -5.940 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.931 -5.013 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.944 -6.704 -9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.190 -7.444 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.959 -7.268 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.912 -4.439 -9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.965 -4.912 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.864 -3.525 -7.961 1.00 0.00 H new ATOM 860 N LEU A 53 -7.461 -3.829 -3.297 1.00 0.00 N ATOM 861 CA LEU A 53 -7.515 -4.023 -1.852 1.00 0.00 C ATOM 862 C LEU A 53 -8.389 -5.221 -1.495 1.00 0.00 C ATOM 863 O LEU A 53 -9.482 -5.388 -2.038 1.00 0.00 O ATOM 864 CB LEU A 53 -8.051 -2.764 -1.168 1.00 0.00 C ATOM 865 CG LEU A 53 -7.016 -1.686 -0.841 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.681 -0.495 -0.168 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.916 -2.254 0.044 1.00 0.00 C ATOM 0 H LEU A 53 -8.054 -3.075 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.502 -4.218 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.815 -2.324 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.544 -3.060 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.566 -1.346 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.930 0.262 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.433 -0.073 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.158 -0.819 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.189 -1.473 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.350 -2.621 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.420 -3.075 -0.474 1.00 0.00 H new ATOM 879 N ASP A 54 -7.903 -6.050 -0.578 1.00 0.00 N ATOM 880 CA ASP A 54 -8.642 -7.230 -0.146 1.00 0.00 C ATOM 881 C ASP A 54 -7.993 -7.858 1.084 1.00 0.00 C ATOM 882 O ASP A 54 -6.806 -7.659 1.340 1.00 0.00 O ATOM 883 CB ASP A 54 -8.714 -8.256 -1.279 1.00 0.00 C ATOM 884 CG ASP A 54 -9.723 -9.353 -1.003 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.653 -9.116 -0.204 1.00 0.00 O ATOM 886 OD2 ASP A 54 -9.582 -10.449 -1.585 1.00 0.00 O ATOM 0 H ASP A 54 -7.000 -5.927 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.653 -6.919 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.977 -7.750 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.730 -8.700 -1.426 1.00 0.00 H new ATOM 891 N GLU A 55 -8.780 -8.615 1.841 1.00 0.00 N ATOM 892 CA GLU A 55 -8.282 -9.269 3.045 1.00 0.00 C ATOM 893 C GLU A 55 -6.820 -9.675 2.878 1.00 0.00 C ATOM 894 O GLU A 55 -5.976 -9.351 3.713 1.00 0.00 O ATOM 895 CB GLU A 55 -9.130 -10.500 3.372 1.00 0.00 C ATOM 896 CG GLU A 55 -9.213 -11.502 2.233 1.00 0.00 C ATOM 897 CD GLU A 55 -10.340 -12.500 2.415 1.00 0.00 C ATOM 898 OE1 GLU A 55 -10.721 -12.758 3.576 1.00 0.00 O ATOM 899 OE2 GLU A 55 -10.840 -13.023 1.397 1.00 0.00 O ATOM 0 H GLU A 55 -9.765 -8.791 1.642 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.353 -8.559 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.714 -10.994 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.137 -10.177 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.354 -10.968 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.267 -12.038 2.156 1.00 0.00 H new ATOM 906 N ASN A 56 -6.530 -10.386 1.794 1.00 0.00 N ATOM 907 CA ASN A 56 -5.171 -10.838 1.517 1.00 0.00 C ATOM 908 C ASN A 56 -4.176 -9.691 1.665 1.00 0.00 C ATOM 909 O ASN A 56 -3.190 -9.799 2.395 1.00 0.00 O ATOM 910 CB ASN A 56 -5.083 -11.424 0.107 1.00 0.00 C ATOM 911 CG ASN A 56 -5.970 -10.691 -0.881 1.00 0.00 C ATOM 912 OD1 ASN A 56 -5.547 -9.719 -1.508 1.00 0.00 O ATOM 913 ND2 ASN A 56 -7.206 -11.153 -1.023 1.00 0.00 N ATOM 0 H ASN A 56 -7.217 -10.662 1.093 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.918 -11.612 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.049 -11.382 -0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.367 -12.476 0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.848 -10.700 -1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.513 -11.962 -0.483 1.00 0.00 H new ATOM 920 N CYS A 57 -4.441 -8.591 0.968 1.00 0.00 N ATOM 921 CA CYS A 57 -3.570 -7.423 1.021 1.00 0.00 C ATOM 922 C CYS A 57 -3.509 -6.853 2.435 1.00 0.00 C ATOM 923 O CYS A 57 -4.539 -6.659 3.082 1.00 0.00 O ATOM 924 CB CYS A 57 -4.062 -6.349 0.048 1.00 0.00 C ATOM 925 SG CYS A 57 -3.642 -6.677 -1.694 1.00 0.00 S ATOM 0 H CYS A 57 -5.253 -8.484 0.359 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.567 -7.736 0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.144 -6.259 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.637 -5.388 0.339 1.00 0.00 H new ATOM 930 N CYS A 58 -2.297 -6.588 2.909 1.00 0.00 N ATOM 931 CA CYS A 58 -2.101 -6.041 4.247 1.00 0.00 C ATOM 932 C CYS A 58 -0.826 -5.207 4.312 1.00 0.00 C ATOM 933 O CYS A 58 0.114 -5.430 3.548 1.00 0.00 O ATOM 934 CB CYS A 58 -2.040 -7.169 5.277 1.00 0.00 C ATOM 935 SG CYS A 58 -0.625 -8.277 5.078 1.00 0.00 S ATOM 0 H CYS A 58 -1.435 -6.743 2.387 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.948 -5.395 4.476 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.008 -6.733 6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.957 -7.754 5.213 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.661 -9.196 5.997 1.00 0.00 H new ATOM 941 N VAL A 59 -0.800 -4.245 5.228 1.00 0.00 N ATOM 942 CA VAL A 59 0.359 -3.377 5.393 1.00 0.00 C ATOM 943 C VAL A 59 1.174 -3.774 6.619 1.00 0.00 C ATOM 944 O VAL A 59 0.622 -4.222 7.624 1.00 0.00 O ATOM 945 CB VAL A 59 -0.059 -1.900 5.525 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.928 -1.700 6.757 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.167 -1.002 5.576 1.00 0.00 C ATOM 0 H VAL A 59 -1.569 -4.047 5.868 1.00 0.00 H new ATOM 0 HA VAL A 59 0.971 -3.495 4.499 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.645 -1.626 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.214 -0.651 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.824 -2.315 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.370 -1.990 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.853 0.038 5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.782 -1.274 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.747 -1.125 4.661 1.00 0.00 H new ATOM 957 N GLU A 60 2.490 -3.608 6.528 1.00 0.00 N ATOM 958 CA GLU A 60 3.380 -3.950 7.631 1.00 0.00 C ATOM 959 C GLU A 60 4.513 -2.934 7.751 1.00 0.00 C ATOM 960 O GLU A 60 5.117 -2.542 6.753 1.00 0.00 O ATOM 961 CB GLU A 60 3.958 -5.353 7.433 1.00 0.00 C ATOM 962 CG GLU A 60 4.599 -5.560 6.071 1.00 0.00 C ATOM 963 CD GLU A 60 3.618 -6.075 5.036 1.00 0.00 C ATOM 964 OE1 GLU A 60 3.465 -7.310 4.927 1.00 0.00 O ATOM 965 OE2 GLU A 60 3.004 -5.244 4.335 1.00 0.00 O ATOM 0 H GLU A 60 2.963 -3.239 5.703 1.00 0.00 H new ATOM 0 HA GLU A 60 2.798 -3.931 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.701 -5.544 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.163 -6.087 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.023 -4.617 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.425 -6.265 6.166 1.00 0.00 H new ATOM 972 N SER A 61 4.794 -2.513 8.980 1.00 0.00 N ATOM 973 CA SER A 61 5.850 -1.540 9.231 1.00 0.00 C ATOM 974 C SER A 61 7.224 -2.147 8.962 1.00 0.00 C ATOM 975 O SER A 61 7.461 -3.323 9.243 1.00 0.00 O ATOM 976 CB SER A 61 5.776 -1.037 10.674 1.00 0.00 C ATOM 977 OG SER A 61 4.525 -0.427 10.938 1.00 0.00 O ATOM 0 H SER A 61 4.305 -2.831 9.817 1.00 0.00 H new ATOM 0 HA SER A 61 5.704 -0.700 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.930 -1.869 11.361 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.578 -0.322 10.855 1.00 0.00 H new ATOM 0 HG SER A 61 4.502 -0.116 11.867 1.00 0.00 H new ATOM 983 N LEU A 62 8.124 -1.338 8.416 1.00 0.00 N ATOM 984 CA LEU A 62 9.476 -1.794 8.108 1.00 0.00 C ATOM 985 C LEU A 62 10.510 -1.015 8.915 1.00 0.00 C ATOM 986 O LEU A 62 10.273 0.111 9.353 1.00 0.00 O ATOM 987 CB LEU A 62 9.758 -1.641 6.613 1.00 0.00 C ATOM 988 CG LEU A 62 9.073 -2.653 5.694 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.218 -2.236 4.238 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.647 -4.045 5.911 1.00 0.00 C ATOM 0 H LEU A 62 7.943 -0.363 8.177 1.00 0.00 H new ATOM 0 HA LEU A 62 9.549 -2.847 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.455 -0.640 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.835 -1.710 6.458 1.00 0.00 H new ATOM 0 HG LEU A 62 8.011 -2.677 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.724 -2.968 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.758 -1.258 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.275 -2.182 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.147 -4.752 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.715 -4.036 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.490 -4.346 6.947 1.00 0.00 H new ATOM 1002 N PRO A 63 11.687 -1.627 9.115 1.00 0.00 N ATOM 1003 CA PRO A 63 12.783 -1.008 9.867 1.00 0.00 C ATOM 1004 C PRO A 63 13.408 0.165 9.121 1.00 0.00 C ATOM 1005 O PRO A 63 12.952 0.540 8.041 1.00 0.00 O ATOM 1006 CB PRO A 63 13.795 -2.146 10.020 1.00 0.00 C ATOM 1007 CG PRO A 63 13.519 -3.055 8.872 1.00 0.00 C ATOM 1008 CD PRO A 63 12.039 -2.969 8.622 1.00 0.00 C ATOM 0 HA PRO A 63 12.443 -0.592 10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.818 -1.772 9.992 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.670 -2.662 10.972 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.082 -2.751 7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.817 -4.078 9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.803 -3.083 7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.495 -3.749 9.156 1.00 0.00 H new ATOM 1016 N ASP A 64 14.454 0.741 9.703 1.00 0.00 N ATOM 1017 CA ASP A 64 15.144 1.871 9.092 1.00 0.00 C ATOM 1018 C ASP A 64 16.346 1.400 8.280 1.00 0.00 C ATOM 1019 O ASP A 64 17.272 0.792 8.817 1.00 0.00 O ATOM 1020 CB ASP A 64 15.595 2.862 10.166 1.00 0.00 C ATOM 1021 CG ASP A 64 16.094 2.170 11.419 1.00 0.00 C ATOM 1022 OD1 ASP A 64 17.143 1.496 11.346 1.00 0.00 O ATOM 1023 OD2 ASP A 64 15.436 2.301 12.473 1.00 0.00 O ATOM 0 H ASP A 64 14.843 0.444 10.598 1.00 0.00 H new ATOM 0 HA ASP A 64 14.447 2.369 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.387 3.494 9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.763 3.518 10.423 1.00 0.00 H new ATOM 1028 N LYS A 65 16.324 1.683 6.982 1.00 0.00 N ATOM 1029 CA LYS A 65 17.412 1.289 6.094 1.00 0.00 C ATOM 1030 C LYS A 65 17.716 2.391 5.084 1.00 0.00 C ATOM 1031 O LYS A 65 16.830 3.154 4.699 1.00 0.00 O ATOM 1032 CB LYS A 65 17.055 -0.006 5.361 1.00 0.00 C ATOM 1033 CG LYS A 65 16.082 0.194 4.212 1.00 0.00 C ATOM 1034 CD LYS A 65 14.640 0.071 4.675 1.00 0.00 C ATOM 1035 CE LYS A 65 14.226 -1.385 4.828 1.00 0.00 C ATOM 1036 NZ LYS A 65 13.152 -1.553 5.845 1.00 0.00 N ATOM 0 H LYS A 65 15.564 2.184 6.521 1.00 0.00 H new ATOM 0 HA LYS A 65 18.302 1.122 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.969 -0.460 4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.624 -0.710 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.240 1.177 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.280 -0.544 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.517 0.587 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.983 0.564 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.879 -1.767 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.093 -1.981 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.981 -2.566 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.445 -1.106 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.278 -1.104 5.504 1.00 0.00 H new ATOM 1050 N ASP A 66 18.972 2.467 4.659 1.00 0.00 N ATOM 1051 CA ASP A 66 19.392 3.474 3.691 1.00 0.00 C ATOM 1052 C ASP A 66 19.170 4.880 4.239 1.00 0.00 C ATOM 1053 O ASP A 66 18.699 5.767 3.528 1.00 0.00 O ATOM 1054 CB ASP A 66 18.630 3.298 2.377 1.00 0.00 C ATOM 1055 CG ASP A 66 18.974 4.369 1.360 1.00 0.00 C ATOM 1056 OD1 ASP A 66 20.178 4.571 1.097 1.00 0.00 O ATOM 1057 OD2 ASP A 66 18.040 5.004 0.828 1.00 0.00 O ATOM 0 H ASP A 66 19.717 1.844 4.969 1.00 0.00 H new ATOM 0 HA ASP A 66 20.458 3.341 3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.856 2.317 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.559 3.321 2.576 1.00 0.00 H new ATOM 1062 N GLY A 67 19.511 5.076 5.509 1.00 0.00 N ATOM 1063 CA GLY A 67 19.340 6.376 6.131 1.00 0.00 C ATOM 1064 C GLY A 67 17.921 6.896 6.008 1.00 0.00 C ATOM 1065 O GLY A 67 17.700 8.015 5.545 1.00 0.00 O ATOM 0 H GLY A 67 19.903 4.358 6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.609 6.309 7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.026 7.088 5.672 1.00 0.00 H new ATOM 1069 N LYS A 68 16.956 6.081 6.421 1.00 0.00 N ATOM 1070 CA LYS A 68 15.551 6.464 6.354 1.00 0.00 C ATOM 1071 C LYS A 68 14.874 6.287 7.710 1.00 0.00 C ATOM 1072 O LYS A 68 15.470 5.760 8.649 1.00 0.00 O ATOM 1073 CB LYS A 68 14.824 5.630 5.297 1.00 0.00 C ATOM 1074 CG LYS A 68 14.954 6.185 3.889 1.00 0.00 C ATOM 1075 CD LYS A 68 14.031 7.373 3.671 1.00 0.00 C ATOM 1076 CE LYS A 68 13.971 7.769 2.204 1.00 0.00 C ATOM 1077 NZ LYS A 68 15.220 8.448 1.761 1.00 0.00 N ATOM 0 H LYS A 68 17.122 5.151 6.806 1.00 0.00 H new ATOM 0 HA LYS A 68 15.500 7.517 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.217 4.613 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.768 5.569 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.986 6.487 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.720 5.404 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.030 7.127 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.379 8.219 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.805 6.881 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.120 8.431 2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.139 8.702 0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.366 9.310 2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.029 7.807 1.892 1.00 0.00 H new ATOM 1091 N LYS A 69 13.625 6.731 7.805 1.00 0.00 N ATOM 1092 CA LYS A 69 12.865 6.620 9.044 1.00 0.00 C ATOM 1093 C LYS A 69 11.374 6.482 8.757 1.00 0.00 C ATOM 1094 O LYS A 69 10.887 6.935 7.721 1.00 0.00 O ATOM 1095 CB LYS A 69 13.114 7.843 9.930 1.00 0.00 C ATOM 1096 CG LYS A 69 12.781 9.161 9.255 1.00 0.00 C ATOM 1097 CD LYS A 69 13.982 9.730 8.518 1.00 0.00 C ATOM 1098 CE LYS A 69 13.604 10.951 7.694 1.00 0.00 C ATOM 1099 NZ LYS A 69 13.284 12.124 8.554 1.00 0.00 N ATOM 0 H LYS A 69 13.118 7.171 7.038 1.00 0.00 H new ATOM 0 HA LYS A 69 13.200 5.725 9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.520 7.750 10.839 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.161 7.854 10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.959 9.014 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.439 9.877 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.756 10.000 9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.405 8.966 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.425 11.205 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.744 10.714 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.031 12.935 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.484 11.891 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.113 12.366 9.133 1.00 0.00 H new ATOM 1113 N CYS A 70 10.654 5.855 9.681 1.00 0.00 N ATOM 1114 CA CYS A 70 9.217 5.659 9.528 1.00 0.00 C ATOM 1115 C CYS A 70 8.898 5.002 8.189 1.00 0.00 C ATOM 1116 O CYS A 70 8.103 5.521 7.404 1.00 0.00 O ATOM 1117 CB CYS A 70 8.483 6.996 9.641 1.00 0.00 C ATOM 1118 SG CYS A 70 8.775 7.869 11.197 1.00 0.00 S ATOM 0 H CYS A 70 11.042 5.474 10.544 1.00 0.00 H new ATOM 0 HA CYS A 70 8.879 4.999 10.327 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.789 7.637 8.814 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.413 6.821 9.530 1.00 0.00 H new ATOM 0 HG CYS A 70 8.488 9.128 11.049 1.00 0.00 H new ATOM 1124 N LEU A 71 9.524 3.859 7.933 1.00 0.00 N ATOM 1125 CA LEU A 71 9.309 3.131 6.687 1.00 0.00 C ATOM 1126 C LEU A 71 8.165 2.133 6.831 1.00 0.00 C ATOM 1127 O LEU A 71 7.895 1.634 7.924 1.00 0.00 O ATOM 1128 CB LEU A 71 10.588 2.401 6.272 1.00 0.00 C ATOM 1129 CG LEU A 71 11.550 3.187 5.380 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.985 2.752 5.630 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.184 3.008 3.914 1.00 0.00 C ATOM 0 H LEU A 71 10.185 3.416 8.571 1.00 0.00 H new ATOM 0 HA LEU A 71 9.043 3.853 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.122 2.104 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.307 1.485 5.751 1.00 0.00 H new ATOM 0 HG LEU A 71 11.464 4.245 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.655 3.322 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.243 2.932 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.087 1.689 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.879 3.574 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.241 1.952 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.170 3.370 3.745 1.00 0.00 H new ATOM 1143 N PHE A 72 7.495 1.844 5.720 1.00 0.00 N ATOM 1144 CA PHE A 72 6.380 0.904 5.721 1.00 0.00 C ATOM 1145 C PHE A 72 6.161 0.318 4.329 1.00 0.00 C ATOM 1146 O PHE A 72 6.309 1.010 3.321 1.00 0.00 O ATOM 1147 CB PHE A 72 5.103 1.596 6.202 1.00 0.00 C ATOM 1148 CG PHE A 72 4.519 2.545 5.195 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.658 2.088 4.210 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.832 3.894 5.232 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.119 2.958 3.282 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.295 4.770 4.307 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.439 4.301 3.330 1.00 0.00 C ATOM 0 H PHE A 72 7.705 2.248 4.807 1.00 0.00 H new ATOM 0 HA PHE A 72 6.624 0.090 6.404 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.360 0.838 6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.319 2.141 7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.405 1.039 4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.503 4.266 5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.448 2.589 2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.545 5.820 4.348 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.020 4.983 2.605 1.00 0.00 H new ATOM 1163 N LEU A 73 5.808 -0.962 4.282 1.00 0.00 N ATOM 1164 CA LEU A 73 5.569 -1.643 3.015 1.00 0.00 C ATOM 1165 C LEU A 73 4.247 -2.403 3.046 1.00 0.00 C ATOM 1166 O LEU A 73 3.763 -2.784 4.112 1.00 0.00 O ATOM 1167 CB LEU A 73 6.717 -2.606 2.706 1.00 0.00 C ATOM 1168 CG LEU A 73 6.472 -3.600 1.570 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.776 -3.937 0.865 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.808 -4.862 2.100 1.00 0.00 C ATOM 0 H LEU A 73 5.681 -1.549 5.107 1.00 0.00 H new ATOM 0 HA LEU A 73 5.515 -0.889 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.602 -2.018 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.946 -3.169 3.611 1.00 0.00 H new ATOM 0 HG LEU A 73 5.801 -3.137 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.582 -4.646 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.211 -3.028 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.471 -4.380 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.641 -5.558 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.454 -5.328 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.853 -4.606 2.558 1.00 0.00 H new ATOM 1182 N VAL A 74 3.668 -2.624 1.870 1.00 0.00 N ATOM 1183 CA VAL A 74 2.404 -3.342 1.762 1.00 0.00 C ATOM 1184 C VAL A 74 2.588 -4.674 1.045 1.00 0.00 C ATOM 1185 O VAL A 74 3.194 -4.737 -0.025 1.00 0.00 O ATOM 1186 CB VAL A 74 1.347 -2.509 1.012 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.110 -3.347 0.727 1.00 0.00 C ATOM 1188 CG2 VAL A 74 0.986 -1.265 1.810 1.00 0.00 C ATOM 0 H VAL A 74 4.055 -2.316 0.978 1.00 0.00 H new ATOM 0 HA VAL A 74 2.057 -3.525 2.779 1.00 0.00 H new ATOM 0 HB VAL A 74 1.769 -2.192 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.625 -2.742 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.385 -4.204 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.317 -3.696 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.238 -0.688 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.583 -1.559 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.878 -0.656 1.957 1.00 0.00 H new ATOM 1198 N LYS A 75 2.061 -5.738 1.640 1.00 0.00 N ATOM 1199 CA LYS A 75 2.164 -7.071 1.058 1.00 0.00 C ATOM 1200 C LYS A 75 0.813 -7.541 0.530 1.00 0.00 C ATOM 1201 O LYS A 75 -0.173 -7.582 1.267 1.00 0.00 O ATOM 1202 CB LYS A 75 2.691 -8.064 2.096 1.00 0.00 C ATOM 1203 CG LYS A 75 3.394 -9.265 1.487 1.00 0.00 C ATOM 1204 CD LYS A 75 4.884 -9.016 1.324 1.00 0.00 C ATOM 1205 CE LYS A 75 5.681 -10.307 1.438 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.342 -11.266 0.351 1.00 0.00 N ATOM 0 H LYS A 75 1.557 -5.703 2.526 1.00 0.00 H new ATOM 0 HA LYS A 75 2.863 -7.022 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.383 -7.548 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.859 -8.412 2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.237 -10.139 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.954 -9.492 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.073 -8.555 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.221 -8.311 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.747 -10.080 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.485 -10.770 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.942 -12.111 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.342 -11.542 0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.504 -10.816 -0.572 1.00 0.00 H new ATOM 1220 N CYS A 76 0.773 -7.896 -0.750 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.457 -8.364 -1.377 1.00 0.00 C ATOM 1222 C CYS A 76 -0.293 -9.787 -1.901 1.00 0.00 C ATOM 1223 O CYS A 76 0.790 -10.367 -1.825 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.859 -7.430 -2.520 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.756 -5.939 -1.983 1.00 0.00 S ATOM 0 H CYS A 76 1.580 -7.868 -1.374 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.244 -8.362 -0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.038 -7.126 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.482 -7.982 -3.224 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.376 -10.344 -2.434 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.352 -11.700 -2.970 1.00 0.00 C ATOM 1232 C PHE A 77 0.031 -12.047 -3.512 1.00 0.00 C ATOM 1233 O PHE A 77 0.775 -12.815 -2.900 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.398 -11.851 -4.077 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.747 -12.277 -3.573 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.879 -13.393 -2.763 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.885 -11.561 -3.910 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.119 -13.787 -2.297 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -6.128 -11.950 -3.447 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.245 -13.065 -2.640 1.00 0.00 C ATOM 0 H PHE A 77 -2.280 -9.878 -2.506 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.588 -12.389 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.499 -10.901 -4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.043 -12.582 -4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.002 -13.962 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.800 -10.689 -4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.207 -14.659 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.007 -11.383 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.215 -13.371 -2.278 1.00 0.00 H new ATOM 1250 N ASP A 78 0.369 -11.477 -4.663 1.00 0.00 N ATOM 1251 CA ASP A 78 1.664 -11.725 -5.288 1.00 0.00 C ATOM 1252 C ASP A 78 2.424 -10.419 -5.500 1.00 0.00 C ATOM 1253 O ASP A 78 3.655 -10.395 -5.485 1.00 0.00 O ATOM 1254 CB ASP A 78 1.479 -12.444 -6.625 1.00 0.00 C ATOM 1255 CG ASP A 78 0.544 -11.701 -7.558 1.00 0.00 C ATOM 1256 OD1 ASP A 78 -0.685 -11.774 -7.349 1.00 0.00 O ATOM 1257 OD2 ASP A 78 1.041 -11.046 -8.498 1.00 0.00 O ATOM 0 H ASP A 78 -0.235 -10.840 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 78 2.247 -12.360 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.449 -12.563 -7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.087 -13.445 -6.445 1.00 0.00 H new ATOM 1262 N LYS A 79 1.682 -9.334 -5.697 1.00 0.00 N ATOM 1263 CA LYS A 79 2.285 -8.024 -5.912 1.00 0.00 C ATOM 1264 C LYS A 79 2.663 -7.374 -4.584 1.00 0.00 C ATOM 1265 O LYS A 79 2.085 -7.685 -3.542 1.00 0.00 O ATOM 1266 CB LYS A 79 1.321 -7.116 -6.679 1.00 0.00 C ATOM 1267 CG LYS A 79 1.350 -7.332 -8.183 1.00 0.00 C ATOM 1268 CD LYS A 79 0.210 -6.601 -8.872 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.085 -7.395 -8.801 1.00 0.00 C ATOM 1270 NZ LYS A 79 -2.056 -6.966 -9.846 1.00 0.00 N ATOM 0 H LYS A 79 0.662 -9.336 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 79 3.192 -8.162 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.308 -7.286 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.566 -6.076 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.302 -6.984 -8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.284 -8.398 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.067 -5.626 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.470 -6.420 -9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.867 -8.456 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.534 -7.271 -7.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.926 -7.531 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.283 -5.959 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.638 -7.108 -10.788 1.00 0.00 H new ATOM 1284 N THR A 80 3.636 -6.470 -4.629 1.00 0.00 N ATOM 1285 CA THR A 80 4.091 -5.777 -3.430 1.00 0.00 C ATOM 1286 C THR A 80 4.375 -4.307 -3.719 1.00 0.00 C ATOM 1287 O THR A 80 4.782 -3.949 -4.824 1.00 0.00 O ATOM 1288 CB THR A 80 5.360 -6.429 -2.851 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.292 -6.705 -3.903 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.020 -7.718 -2.117 1.00 0.00 C ATOM 0 H THR A 80 4.124 -6.200 -5.483 1.00 0.00 H new ATOM 0 HA THR A 80 3.287 -5.852 -2.698 1.00 0.00 H new ATOM 0 HB THR A 80 5.808 -5.733 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.097 -7.118 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.932 -8.160 -1.717 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.333 -7.501 -1.299 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.551 -8.418 -2.809 1.00 0.00 H new ATOM 1298 N PHE A 81 4.158 -3.460 -2.719 1.00 0.00 N ATOM 1299 CA PHE A 81 4.391 -2.028 -2.866 1.00 0.00 C ATOM 1300 C PHE A 81 5.117 -1.466 -1.647 1.00 0.00 C ATOM 1301 O PHE A 81 4.657 -1.616 -0.515 1.00 0.00 O ATOM 1302 CB PHE A 81 3.065 -1.292 -3.068 1.00 0.00 C ATOM 1303 CG PHE A 81 2.395 -1.611 -4.374 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.885 -2.876 -4.616 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.276 -0.645 -5.360 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.268 -3.173 -5.816 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.659 -0.936 -6.563 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.156 -2.201 -6.791 1.00 0.00 C ATOM 0 H PHE A 81 3.821 -3.740 -1.798 1.00 0.00 H new ATOM 0 HA PHE A 81 5.020 -1.876 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.390 -1.546 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.243 -0.218 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.971 -3.640 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.669 0.346 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.874 -4.163 -5.991 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.571 -0.174 -7.323 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.675 -2.431 -7.731 1.00 0.00 H new ATOM 1318 N GLU A 82 6.253 -0.820 -1.888 1.00 0.00 N ATOM 1319 CA GLU A 82 7.043 -0.238 -0.809 1.00 0.00 C ATOM 1320 C GLU A 82 6.956 1.286 -0.832 1.00 0.00 C ATOM 1321 O GLU A 82 7.243 1.919 -1.848 1.00 0.00 O ATOM 1322 CB GLU A 82 8.505 -0.677 -0.923 1.00 0.00 C ATOM 1323 CG GLU A 82 9.323 -0.398 0.327 1.00 0.00 C ATOM 1324 CD GLU A 82 10.645 -1.140 0.336 1.00 0.00 C ATOM 1325 OE1 GLU A 82 11.147 -1.473 -0.758 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.178 -1.387 1.438 1.00 0.00 O ATOM 0 H GLU A 82 6.647 -0.686 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 82 6.636 -0.594 0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.539 -1.745 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.964 -0.166 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.511 0.673 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.745 -0.682 1.206 1.00 0.00 H new ATOM 1333 N ILE A 83 6.555 1.866 0.294 1.00 0.00 N ATOM 1334 CA ILE A 83 6.430 3.314 0.404 1.00 0.00 C ATOM 1335 C ILE A 83 7.123 3.832 1.660 1.00 0.00 C ATOM 1336 O ILE A 83 7.179 3.144 2.679 1.00 0.00 O ATOM 1337 CB ILE A 83 4.954 3.751 0.429 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.215 3.197 -0.791 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.851 5.268 0.473 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.747 2.931 -0.539 1.00 0.00 C ATOM 0 H ILE A 83 6.311 1.356 1.143 1.00 0.00 H new ATOM 0 HA ILE A 83 6.912 3.740 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 83 4.487 3.349 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.312 3.903 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.695 2.271 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.801 5.561 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.347 5.640 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.331 5.691 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.287 2.540 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.642 2.202 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.253 3.859 -0.253 1.00 0.00 H new ATOM 1352 N SER A 84 7.649 5.050 1.579 1.00 0.00 N ATOM 1353 CA SER A 84 8.340 5.661 2.709 1.00 0.00 C ATOM 1354 C SER A 84 7.620 6.926 3.167 1.00 0.00 C ATOM 1355 O SER A 84 7.249 7.771 2.353 1.00 0.00 O ATOM 1356 CB SER A 84 9.785 5.991 2.331 1.00 0.00 C ATOM 1357 OG SER A 84 10.502 6.491 3.447 1.00 0.00 O ATOM 0 H SER A 84 7.610 5.633 0.743 1.00 0.00 H new ATOM 0 HA SER A 84 8.341 4.947 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.278 5.097 1.949 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.795 6.728 1.528 1.00 0.00 H new ATOM 0 HG SER A 84 10.959 7.321 3.197 1.00 0.00 H new ATOM 1363 N ALA A 85 7.427 7.048 4.476 1.00 0.00 N ATOM 1364 CA ALA A 85 6.754 8.209 5.044 1.00 0.00 C ATOM 1365 C ALA A 85 7.761 9.268 5.481 1.00 0.00 C ATOM 1366 O ALA A 85 8.971 9.050 5.420 1.00 0.00 O ATOM 1367 CB ALA A 85 5.881 7.792 6.218 1.00 0.00 C ATOM 0 H ALA A 85 7.727 6.357 5.163 1.00 0.00 H new ATOM 0 HA ALA A 85 6.120 8.644 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.385 8.670 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.131 7.078 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.501 7.330 6.986 1.00 0.00 H new ATOM 1373 N SER A 86 7.254 10.415 5.922 1.00 0.00 N ATOM 1374 CA SER A 86 8.109 11.509 6.365 1.00 0.00 C ATOM 1375 C SER A 86 8.190 11.553 7.888 1.00 0.00 C ATOM 1376 O SER A 86 9.276 11.488 8.465 1.00 0.00 O ATOM 1377 CB SER A 86 7.583 12.843 5.832 1.00 0.00 C ATOM 1378 OG SER A 86 8.538 13.876 6.011 1.00 0.00 O ATOM 0 H SER A 86 6.255 10.610 5.982 1.00 0.00 H new ATOM 0 HA SER A 86 9.110 11.338 5.970 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.342 12.746 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.659 13.105 6.347 1.00 0.00 H new ATOM 0 HG SER A 86 8.179 14.718 5.661 1.00 0.00 H new ATOM 1384 N ASP A 87 7.034 11.664 8.532 1.00 0.00 N ATOM 1385 CA ASP A 87 6.972 11.715 9.989 1.00 0.00 C ATOM 1386 C ASP A 87 6.049 10.629 10.532 1.00 0.00 C ATOM 1387 O ASP A 87 5.149 10.158 9.836 1.00 0.00 O ATOM 1388 CB ASP A 87 6.489 13.091 10.451 1.00 0.00 C ATOM 1389 CG ASP A 87 5.447 13.681 9.522 1.00 0.00 C ATOM 1390 OD1 ASP A 87 4.571 12.924 9.055 1.00 0.00 O ATOM 1391 OD2 ASP A 87 5.508 14.901 9.261 1.00 0.00 O ATOM 0 H ASP A 87 6.127 11.720 8.069 1.00 0.00 H new ATOM 0 HA ASP A 87 7.975 11.541 10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.072 13.008 11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.340 13.769 10.515 1.00 0.00 H new ATOM 1396 N LYS A 88 6.279 10.234 11.780 1.00 0.00 N ATOM 1397 CA LYS A 88 5.469 9.204 12.418 1.00 0.00 C ATOM 1398 C LYS A 88 3.985 9.435 12.152 1.00 0.00 C ATOM 1399 O LYS A 88 3.225 8.488 11.948 1.00 0.00 O ATOM 1400 CB LYS A 88 5.730 9.182 13.926 1.00 0.00 C ATOM 1401 CG LYS A 88 7.090 8.620 14.300 1.00 0.00 C ATOM 1402 CD LYS A 88 7.239 8.474 15.805 1.00 0.00 C ATOM 1403 CE LYS A 88 7.372 9.828 16.485 1.00 0.00 C ATOM 1404 NZ LYS A 88 8.794 10.258 16.592 1.00 0.00 N ATOM 0 H LYS A 88 7.020 10.612 12.370 1.00 0.00 H new ATOM 0 HA LYS A 88 5.751 8.241 11.992 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.646 10.197 14.316 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.955 8.589 14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.227 7.649 13.824 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.873 9.275 13.918 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.374 7.946 16.208 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.116 7.866 16.028 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.809 10.573 15.923 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.932 9.779 17.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.842 11.185 17.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.327 9.560 17.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.208 10.330 15.640 1.00 0.00 H new ATOM 1418 N LYS A 89 3.578 10.700 12.153 1.00 0.00 N ATOM 1419 CA LYS A 89 2.186 11.057 11.908 1.00 0.00 C ATOM 1420 C LYS A 89 1.683 10.429 10.612 1.00 0.00 C ATOM 1421 O LYS A 89 0.733 9.645 10.618 1.00 0.00 O ATOM 1422 CB LYS A 89 2.032 12.578 11.844 1.00 0.00 C ATOM 1423 CG LYS A 89 0.639 13.064 12.205 1.00 0.00 C ATOM 1424 CD LYS A 89 0.510 13.330 13.695 1.00 0.00 C ATOM 1425 CE LYS A 89 -0.597 14.331 13.989 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.032 14.275 15.412 1.00 0.00 N ATOM 0 H LYS A 89 4.194 11.496 12.321 1.00 0.00 H new ATOM 0 HA LYS A 89 1.587 10.672 12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.754 13.037 12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.277 12.918 10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.416 13.976 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.097 12.319 11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.304 12.395 14.216 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.456 13.709 14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.248 15.337 13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.450 14.130 13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.787 14.972 15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.388 13.322 15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.225 14.492 16.031 1.00 0.00 H new ATOM 1440 N LYS A 90 2.326 10.776 9.503 1.00 0.00 N ATOM 1441 CA LYS A 90 1.946 10.245 8.199 1.00 0.00 C ATOM 1442 C LYS A 90 2.062 8.724 8.177 1.00 0.00 C ATOM 1443 O LYS A 90 1.103 8.023 7.853 1.00 0.00 O ATOM 1444 CB LYS A 90 2.826 10.850 7.103 1.00 0.00 C ATOM 1445 CG LYS A 90 2.461 12.281 6.751 1.00 0.00 C ATOM 1446 CD LYS A 90 2.926 12.647 5.351 1.00 0.00 C ATOM 1447 CE LYS A 90 3.137 14.146 5.208 1.00 0.00 C ATOM 1448 NZ LYS A 90 3.549 14.519 3.826 1.00 0.00 N ATOM 0 H LYS A 90 3.114 11.423 9.481 1.00 0.00 H new ATOM 0 HA LYS A 90 0.907 10.516 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.867 10.818 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.751 10.234 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.381 12.410 6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.911 12.961 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.856 12.125 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.188 12.311 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.216 14.669 5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.899 14.475 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.683 15.549 3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.441 14.040 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.811 14.229 3.153 1.00 0.00 H new ATOM 1462 N LYS A 91 3.241 8.219 8.525 1.00 0.00 N ATOM 1463 CA LYS A 91 3.482 6.782 8.548 1.00 0.00 C ATOM 1464 C LYS A 91 2.336 6.049 9.240 1.00 0.00 C ATOM 1465 O LYS A 91 1.656 5.225 8.628 1.00 0.00 O ATOM 1466 CB LYS A 91 4.801 6.476 9.261 1.00 0.00 C ATOM 1467 CG LYS A 91 5.132 4.995 9.319 1.00 0.00 C ATOM 1468 CD LYS A 91 4.315 4.283 10.384 1.00 0.00 C ATOM 1469 CE LYS A 91 5.052 3.072 10.936 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.182 3.468 11.822 1.00 0.00 N ATOM 0 H LYS A 91 4.045 8.785 8.795 1.00 0.00 H new ATOM 0 HA LYS A 91 3.544 6.433 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.610 7.001 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.755 6.869 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.940 4.540 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.194 4.866 9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.092 4.975 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.361 3.968 9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.355 2.446 11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.431 2.470 10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.485 2.648 12.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.978 3.802 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.873 4.231 12.458 1.00 0.00 H new ATOM 1484 N GLN A 92 2.129 6.356 10.516 1.00 0.00 N ATOM 1485 CA GLN A 92 1.065 5.727 11.289 1.00 0.00 C ATOM 1486 C GLN A 92 -0.294 5.958 10.635 1.00 0.00 C ATOM 1487 O GLN A 92 -0.946 5.015 10.189 1.00 0.00 O ATOM 1488 CB GLN A 92 1.054 6.270 12.719 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.138 5.805 13.538 1.00 0.00 C ATOM 1490 CD GLN A 92 0.096 4.460 14.198 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.198 3.413 13.387 1.00 0.00 O flip ATOM 1492 NE2 GLN A 92 0.183 4.363 15.422 1.00 0.00 N flip ATOM 0 H GLN A 92 2.684 7.036 11.036 1.00 0.00 H new ATOM 0 HA GLN A 92 1.257 4.654 11.316 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.971 5.964 13.222 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.058 7.359 12.685 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.359 6.548 14.304 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.014 5.741 12.893 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.098 5.194 16.007 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.340 3.451 15.851 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.713 7.218 10.582 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.994 7.572 9.983 1.00 0.00 C ATOM 1503 C GLU A 93 -2.273 6.717 8.750 1.00 0.00 C ATOM 1504 O GLU A 93 -3.332 6.100 8.636 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.014 9.054 9.604 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.229 9.982 10.788 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.696 10.258 11.054 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.528 9.372 10.765 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -4.013 11.360 11.549 1.00 0.00 O ATOM 0 H GLU A 93 -0.184 8.010 10.946 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.774 7.383 10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.072 9.309 9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.804 9.223 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.779 9.540 11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.713 10.925 10.604 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.316 6.687 7.830 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.458 5.909 6.605 1.00 0.00 C ATOM 1518 C TRP A 94 -1.704 4.437 6.920 1.00 0.00 C ATOM 1519 O TRP A 94 -2.754 3.889 6.585 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.207 6.055 5.736 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.286 7.197 4.769 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.259 8.440 4.923 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.950 7.203 3.501 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.026 9.218 3.826 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.766 8.481 2.939 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.681 6.251 2.784 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.287 8.830 1.696 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.197 6.599 1.550 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.998 7.879 1.016 1.00 0.00 C ATOM 0 H TRP A 94 -0.433 7.192 7.909 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.319 6.293 6.058 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.661 6.194 6.381 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.048 5.130 5.182 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.830 8.764 5.781 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.266 10.186 3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.840 5.262 3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.135 9.816 1.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.763 5.872 0.988 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.414 8.120 0.049 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.730 3.804 7.565 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.843 2.396 7.926 1.00 0.00 C ATOM 1542 C ILE A 95 -2.196 2.099 8.563 1.00 0.00 C ATOM 1543 O ILE A 95 -2.936 1.234 8.096 1.00 0.00 O ATOM 1544 CB ILE A 95 0.274 1.973 8.898 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.639 2.066 8.213 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.026 0.561 9.406 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.747 1.378 8.978 1.00 0.00 C ATOM 0 H ILE A 95 0.146 4.243 7.848 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.746 1.824 7.003 1.00 0.00 H new ATOM 0 HB ILE A 95 0.270 2.652 9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.568 1.626 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.899 3.116 8.079 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.824 0.276 10.092 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.931 0.525 9.927 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.007 -0.131 8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.685 1.484 8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.846 1.833 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.510 0.320 9.089 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.513 2.824 9.631 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.778 2.639 10.332 1.00 0.00 C ATOM 1561 C GLN A 96 -4.954 2.716 9.363 1.00 0.00 C ATOM 1562 O GLN A 96 -5.917 1.959 9.479 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.937 3.692 11.430 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.169 3.366 12.701 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.408 4.380 13.803 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.838 5.505 13.545 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -3.129 3.986 15.040 1.00 0.00 N ATOM 0 H GLN A 96 -1.911 3.545 10.030 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.770 1.649 10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.600 4.656 11.049 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.995 3.797 11.671 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.460 2.377 13.053 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.103 3.323 12.476 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.775 3.044 15.208 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.269 4.625 15.823 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.867 3.637 8.408 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.923 3.812 7.418 1.00 0.00 C ATOM 1578 C ALA A 97 -6.001 2.611 6.481 1.00 0.00 C ATOM 1579 O ALA A 97 -7.045 1.969 6.366 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.696 5.090 6.625 1.00 0.00 C ATOM 0 H ALA A 97 -4.077 4.273 8.299 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.874 3.890 7.946 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.492 5.208 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.698 5.944 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.735 5.035 6.114 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.891 2.316 5.812 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.835 1.192 4.885 1.00 0.00 C ATOM 1588 C ILE A 98 -5.251 -0.106 5.569 1.00 0.00 C ATOM 1589 O ILE A 98 -6.150 -0.805 5.102 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.423 1.020 4.295 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.983 2.301 3.585 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.390 -0.162 3.337 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.502 2.345 3.279 1.00 0.00 C ATOM 0 H ILE A 98 -4.019 2.839 5.895 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.533 1.413 4.077 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.726 0.822 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.541 2.401 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.243 3.158 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.386 -0.271 2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.665 -1.071 3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.096 0.009 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.262 3.282 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.936 2.277 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.239 1.508 2.632 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.591 -0.421 6.678 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.893 -1.635 7.429 1.00 0.00 C ATOM 1607 C HIS A 99 -6.388 -1.737 7.718 1.00 0.00 C ATOM 1608 O HIS A 99 -7.033 -2.724 7.364 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.106 -1.660 8.739 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.947 -3.032 9.317 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.784 -3.465 9.919 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.813 -4.070 9.384 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.942 -4.711 10.330 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.164 -5.102 10.017 1.00 0.00 N ATOM 0 H HIS A 99 -3.844 0.147 7.077 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.598 -2.491 6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.119 -1.230 8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.609 -1.024 9.467 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.826 -4.084 9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.198 -5.308 10.836 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.561 -6.021 10.213 1.00 0.00 H new ATOM 1623 N SER A 100 -6.932 -0.710 8.363 1.00 0.00 N ATOM 1624 CA SER A 100 -8.350 -0.686 8.704 1.00 0.00 C ATOM 1625 C SER A 100 -9.211 -0.889 7.461 1.00 0.00 C ATOM 1626 O SER A 100 -10.134 -1.704 7.456 1.00 0.00 O ATOM 1627 CB SER A 100 -8.711 0.639 9.379 1.00 0.00 C ATOM 1628 OG SER A 100 -8.425 0.599 10.766 1.00 0.00 O ATOM 0 H SER A 100 -6.413 0.116 8.660 1.00 0.00 H new ATOM 0 HA SER A 100 -8.546 -1.504 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.154 1.452 8.913 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.770 0.851 9.229 1.00 0.00 H new ATOM 0 HG SER A 100 -8.663 1.458 11.174 1.00 0.00 H new ATOM 1634 N THR A 101 -8.902 -0.141 6.407 1.00 0.00 N ATOM 1635 CA THR A 101 -9.647 -0.236 5.157 1.00 0.00 C ATOM 1636 C THR A 101 -9.774 -1.685 4.702 1.00 0.00 C ATOM 1637 O THR A 101 -10.828 -2.104 4.222 1.00 0.00 O ATOM 1638 CB THR A 101 -8.976 0.584 4.039 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.855 1.953 4.441 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.777 0.498 2.749 1.00 0.00 C ATOM 0 H THR A 101 -8.141 0.538 6.394 1.00 0.00 H new ATOM 0 HA THR A 101 -10.640 0.170 5.349 1.00 0.00 H new ATOM 0 HB THR A 101 -7.984 0.169 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.148 2.035 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.283 1.085 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.842 -0.542 2.430 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.780 0.890 2.917 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.696 -2.446 4.857 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.689 -3.849 4.463 1.00 0.00 C ATOM 1650 C ILE A 102 -9.568 -4.684 5.388 1.00 0.00 C ATOM 1651 O ILE A 102 -10.417 -5.450 4.931 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.262 -4.429 4.470 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.375 -3.668 3.481 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.291 -5.912 4.131 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.898 -3.774 3.790 1.00 0.00 C ATOM 0 H ILE A 102 -7.816 -2.114 5.253 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.086 -3.893 3.449 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.843 -4.313 5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.556 -4.048 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.664 -2.617 3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.275 -6.307 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.893 -6.442 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.725 -6.050 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.330 -3.211 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.704 -3.367 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.595 -4.821 3.762 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.361 -4.529 6.692 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.137 -5.267 7.683 1.00 0.00 C ATOM 1669 C HIS A 103 -11.612 -5.310 7.295 1.00 0.00 C ATOM 1670 O HIS A 103 -12.235 -6.372 7.297 1.00 0.00 O ATOM 1671 CB HIS A 103 -9.978 -4.631 9.063 1.00 0.00 C ATOM 1672 CG HIS A 103 -10.877 -5.224 10.104 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.213 -5.440 10.100 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.421 -5.674 11.325 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.536 -6.011 11.307 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.437 -6.142 12.027 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.663 -3.899 7.087 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.759 -6.289 7.718 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.942 -4.738 9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.180 -3.563 8.987 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.393 -5.648 11.656 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.528 -6.305 11.617 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.382 -6.537 12.966 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.165 -4.148 6.965 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.568 -4.052 6.576 1.00 0.00 C ATOM 1687 C LEU A 104 -13.913 -5.097 5.520 1.00 0.00 C ATOM 1688 O LEU A 104 -15.004 -5.668 5.529 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.875 -2.651 6.044 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.474 -1.486 6.949 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.741 -0.157 6.259 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.217 -1.560 8.275 1.00 0.00 C ATOM 0 H LEU A 104 -11.664 -3.260 6.959 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.178 -4.240 7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.371 -2.530 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.946 -2.584 5.852 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.405 -1.559 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.449 0.660 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.163 -0.103 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.803 -0.075 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.919 -0.723 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.291 -1.513 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -13.974 -2.497 8.776 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.976 -5.343 4.611 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.180 -6.322 3.548 1.00 0.00 C ATOM 1706 C LEU A 105 -13.110 -7.743 4.096 1.00 0.00 C ATOM 1707 O LEU A 105 -13.804 -8.640 3.618 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.133 -6.134 2.448 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.324 -4.919 1.540 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.991 -4.473 0.958 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.314 -5.234 0.429 1.00 0.00 C ATOM 0 H LEU A 105 -12.068 -4.879 4.588 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.173 -6.164 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.152 -6.061 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.124 -7.029 1.826 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.728 -4.102 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.146 -3.607 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.312 -4.206 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.559 -5.286 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.438 -4.358 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.939 -6.066 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.276 -5.505 0.865 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.267 -7.942 5.104 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.108 -9.254 5.721 1.00 0.00 C ATOM 1725 C LYS A 106 -13.439 -9.766 6.261 1.00 0.00 C ATOM 1726 O LYS A 106 -13.745 -10.955 6.160 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.079 -9.186 6.852 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.656 -8.968 6.367 1.00 0.00 C ATOM 1729 CD LYS A 106 -8.655 -9.090 7.503 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.247 -8.740 7.046 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.411 -8.226 8.166 1.00 0.00 N ATOM 0 H LYS A 106 -11.683 -7.211 5.511 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.755 -9.947 4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.350 -8.378 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.121 -10.112 7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.419 -9.697 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.573 -7.981 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.948 -8.430 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.669 -10.107 7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.775 -9.623 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.297 -7.990 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.459 -7.999 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.848 -7.368 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.341 -8.951 8.908 1.00 0.00 H new