USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 132:sc= 0.586 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.528 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.933 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.07 K(o=2,f=0) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 143:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.237 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ -152:sc= 2.43 (180deg=2.37) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 7 THR OG1 : rot 60:sc= 1.29 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.842 (180deg=0.0207) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 2.65 (180deg=1.82) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc=-0.00428 (180deg=-0.104) USER MOD Single : A 31 GLN : amide:sc= -0.086 K(o=-0.086,f=-0.59) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0336) USER MOD Single : A 40 GLN : amide:sc= -0.821 K(o=-0.82,f=-3.5!) USER MOD Single : A 41 GLN : amide:sc= 1.29 K(o=1.3,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000562) USER MOD Single : A 49 GLN : amide:sc= -0.0405 K(o=-0.04,f=-0.65) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.299 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 62 GLN : amide:sc= 0.969 K(o=0.97,f=-0.0017) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= -0.017 (180deg=-0.119) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.938 -7.383 -5.547 1.00 9.67 N ATOM 2 CA MET A 1 11.018 -7.186 -4.086 1.00 10.38 C ATOM 3 C MET A 1 9.732 -7.491 -3.316 1.00 9.62 C ATOM 4 O MET A 1 8.628 -7.069 -3.654 1.00 9.62 O ATOM 5 CB MET A 1 11.452 -5.755 -3.758 1.00 13.77 C ATOM 6 CG MET A 1 11.596 -5.407 -2.319 1.00 16.29 C ATOM 7 SD MET A 1 12.266 -3.706 -2.074 1.00 17.17 S ATOM 8 CE MET A 1 10.690 -2.933 -1.702 1.00 16.11 C ATOM 0 H1 MET A 1 11.880 -7.621 -5.917 1.00 9.67 H new ATOM 0 H2 MET A 1 10.277 -8.158 -5.757 1.00 9.67 H new ATOM 0 H3 MET A 1 10.600 -6.508 -5.997 1.00 9.67 H new ATOM 0 HA MET A 1 11.758 -7.915 -3.757 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.407 -5.570 -4.249 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.728 -5.071 -4.201 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.625 -5.487 -1.829 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.256 -6.128 -1.837 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.850 -2.080 -1.042 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.224 -2.594 -2.627 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.038 -3.655 -1.210 1.00 16.11 H new ATOM 20 N GLN A 2 9.786 -8.324 -2.303 1.00 9.27 N ATOM 21 CA GLN A 2 8.612 -8.806 -1.588 1.00 9.07 C ATOM 22 C GLN A 2 8.234 -7.765 -0.548 1.00 8.72 C ATOM 23 O GLN A 2 9.077 -7.381 0.268 1.00 8.22 O ATOM 24 CB GLN A 2 8.928 -10.119 -0.869 1.00 14.46 C ATOM 25 CG GLN A 2 7.699 -10.822 -0.297 1.00 17.01 C ATOM 26 CD GLN A 2 7.997 -12.276 0.248 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.828 -12.586 1.432 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.466 -13.171 -0.616 1.00 19.49 N ATOM 0 H GLN A 2 10.663 -8.698 -1.940 1.00 9.27 H new ATOM 0 HA GLN A 2 7.799 -8.974 -2.294 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.428 -10.792 -1.565 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.630 -9.919 -0.059 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.288 -10.217 0.512 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.933 -10.883 -1.070 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.605 -12.913 -1.593 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.687 -14.116 -0.302 1.00 19.49 H new ATOM 37 N ILE A 3 6.971 -7.398 -0.462 1.00 5.87 N ATOM 38 CA ILE A 3 6.355 -6.697 0.688 1.00 5.07 C ATOM 39 C ILE A 3 5.132 -7.396 1.176 1.00 4.01 C ATOM 40 O ILE A 3 4.467 -8.152 0.485 1.00 4.61 O ATOM 41 CB ILE A 3 6.122 -5.234 0.404 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.053 -5.046 -0.693 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.477 -4.510 0.177 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.779 -3.509 -0.979 1.00 10.83 C ATOM 0 H ILE A 3 6.304 -7.579 -1.212 1.00 5.87 H new ATOM 0 HA ILE A 3 7.073 -6.733 1.507 1.00 5.07 H new ATOM 0 HB ILE A 3 5.688 -4.738 1.272 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.381 -5.535 -1.610 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.126 -5.531 -0.387 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.296 -3.455 -0.027 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.095 -4.606 1.070 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.993 -4.960 -0.671 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.021 -3.413 -1.757 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.427 -3.026 -0.067 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.701 -3.030 -1.310 1.00 10.83 H new ATOM 56 N PHE A 4 4.711 -7.042 2.419 1.00 4.55 N ATOM 57 CA PHE A 4 3.524 -7.616 3.056 1.00 4.68 C ATOM 58 C PHE A 4 2.438 -6.496 3.209 1.00 5.30 C ATOM 59 O PHE A 4 2.836 -5.380 3.399 1.00 5.58 O ATOM 60 CB PHE A 4 3.791 -8.269 4.452 1.00 4.83 C ATOM 61 CG PHE A 4 4.784 -9.359 4.442 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.603 -10.506 3.666 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.927 -9.203 5.240 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.553 -11.522 3.644 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.863 -10.254 5.294 1.00 10.61 C ATOM 66 CZ PHE A 4 6.658 -11.396 4.495 1.00 8.90 C ATOM 0 H PHE A 4 5.192 -6.352 2.996 1.00 4.55 H new ATOM 0 HA PHE A 4 3.186 -8.423 2.406 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.128 -7.495 5.142 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.850 -8.656 4.843 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.707 -10.606 3.071 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.086 -8.295 5.802 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.442 -12.377 2.994 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.726 -10.185 5.939 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.377 -12.201 4.540 1.00 8.90 H new ATOM 76 N VAL A 5 1.140 -6.827 3.060 1.00 4.44 N ATOM 77 CA VAL A 5 0.011 -5.942 3.281 1.00 3.87 C ATOM 78 C VAL A 5 -0.929 -6.646 4.272 1.00 4.93 C ATOM 79 O VAL A 5 -1.380 -7.781 3.964 1.00 6.84 O ATOM 80 CB VAL A 5 -0.689 -5.568 1.969 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.087 -4.937 2.152 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.132 -4.516 1.214 1.00 9.13 C ATOM 0 H VAL A 5 0.852 -7.762 2.770 1.00 4.44 H new ATOM 0 HA VAL A 5 0.346 -4.993 3.699 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.786 -6.513 1.434 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.511 -4.703 1.176 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.738 -5.640 2.671 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.999 -4.022 2.738 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.374 -4.258 0.284 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.235 -3.623 1.831 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.120 -4.918 0.990 1.00 9.13 H new ATOM 92 N LYS A 6 -1.321 -6.052 5.421 1.00 6.04 N ATOM 93 CA LYS A 6 -2.343 -6.542 6.364 1.00 6.12 C ATOM 94 C LYS A 6 -3.430 -5.562 6.441 1.00 6.57 C ATOM 95 O LYS A 6 -3.335 -4.409 6.027 1.00 5.76 O ATOM 96 CB LYS A 6 -1.703 -6.765 7.743 1.00 7.45 C ATOM 97 CG LYS A 6 -0.767 -7.993 7.756 1.00 11.12 C ATOM 98 CD LYS A 6 -0.456 -8.454 9.166 1.00 14.54 C ATOM 99 CE LYS A 6 0.501 -9.615 9.334 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.225 -10.847 9.031 1.00 20.55 N ATOM 0 H LYS A 6 -0.909 -5.171 5.729 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.751 -7.492 6.019 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.139 -5.877 8.029 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.487 -6.899 8.489 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.231 -8.809 7.202 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.162 -7.746 7.242 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.051 -7.604 9.715 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.397 -8.724 9.646 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.356 -9.503 8.668 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.891 -9.643 10.351 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.375 -11.667 9.253 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.093 -10.888 9.603 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.474 -10.864 8.021 1.00 20.55 H new ATOM 114 N THR A 7 -4.586 -5.932 6.916 1.00 7.41 N ATOM 115 CA THR A 7 -5.763 -5.158 6.915 1.00 7.48 C ATOM 116 C THR A 7 -6.633 -5.571 8.043 1.00 8.75 C ATOM 117 O THR A 7 -6.416 -6.586 8.703 1.00 8.58 O ATOM 118 CB THR A 7 -6.460 -5.076 5.587 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.383 -3.916 5.544 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.110 -6.447 5.161 1.00 9.17 C ATOM 0 H THR A 7 -4.724 -6.849 7.340 1.00 7.41 H new ATOM 0 HA THR A 7 -5.474 -4.120 7.080 1.00 7.48 H new ATOM 0 HB THR A 7 -5.710 -4.889 4.819 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.876 -3.089 5.685 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.601 -6.332 4.194 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.335 -7.210 5.086 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.845 -6.749 5.907 1.00 9.17 H new ATOM 128 N LEU A 8 -7.674 -4.762 8.443 1.00 9.84 N ATOM 129 CA LEU A 8 -8.539 -4.917 9.650 1.00 14.15 C ATOM 130 C LEU A 8 -9.396 -6.108 9.735 1.00 17.37 C ATOM 131 O LEU A 8 -9.887 -6.487 10.766 1.00 17.01 O ATOM 132 CB LEU A 8 -9.456 -3.656 9.698 1.00 16.63 C ATOM 133 CG LEU A 8 -8.677 -2.257 9.659 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.721 -1.163 9.908 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.586 -2.132 10.736 1.00 18.59 C ATOM 0 H LEU A 8 -7.939 -3.943 7.896 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.851 -5.035 10.487 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.147 -3.695 8.856 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.057 -3.696 10.606 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.178 -2.172 8.694 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.236 -0.187 9.891 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.483 -1.204 9.130 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.187 -1.320 10.881 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.100 -1.160 10.651 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.037 -2.226 11.724 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.847 -2.921 10.598 1.00 18.59 H new ATOM 147 N THR A 9 -9.665 -6.817 8.566 1.00 18.33 N ATOM 148 CA THR A 9 -10.336 -8.105 8.589 1.00 19.24 C ATOM 149 C THR A 9 -9.305 -9.194 8.805 1.00 19.48 C ATOM 150 O THR A 9 -9.627 -10.393 8.734 1.00 23.14 O ATOM 151 CB THR A 9 -11.131 -8.378 7.298 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.320 -8.346 6.096 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.268 -7.310 7.197 1.00 19.70 C ATOM 0 H THR A 9 -9.416 -6.490 7.633 1.00 18.33 H new ATOM 0 HA THR A 9 -11.056 -8.094 9.407 1.00 19.24 H new ATOM 0 HB THR A 9 -11.530 -9.390 7.361 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.884 -8.528 5.316 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.848 -7.480 6.290 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.921 -7.391 8.066 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.829 -6.313 7.165 1.00 19.70 H new ATOM 161 N GLY A 10 -7.980 -8.920 8.963 1.00 19.43 N ATOM 162 CA GLY A 10 -6.936 -9.878 9.434 1.00 18.74 C ATOM 163 C GLY A 10 -6.311 -10.700 8.386 1.00 17.62 C ATOM 164 O GLY A 10 -5.338 -11.412 8.653 1.00 19.74 O ATOM 0 H GLY A 10 -7.596 -7.997 8.760 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.154 -9.315 9.944 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.384 -10.542 10.173 1.00 18.74 H new ATOM 168 N LYS A 11 -6.730 -10.453 7.118 1.00 13.56 N ATOM 169 CA LYS A 11 -6.079 -10.980 5.939 1.00 11.91 C ATOM 170 C LYS A 11 -4.684 -10.381 5.703 1.00 10.18 C ATOM 171 O LYS A 11 -4.482 -9.248 6.168 1.00 9.10 O ATOM 172 CB LYS A 11 -6.937 -10.637 4.729 1.00 13.43 C ATOM 173 CG LYS A 11 -6.463 -11.241 3.393 1.00 16.69 C ATOM 174 CD LYS A 11 -7.484 -11.207 2.244 1.00 17.92 C ATOM 175 CE LYS A 11 -6.984 -11.974 1.019 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.006 -11.972 -0.034 1.00 21.93 N ATOM 0 H LYS A 11 -7.542 -9.872 6.907 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.963 -12.054 6.085 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.956 -10.974 4.920 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.974 -9.553 4.626 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.567 -10.710 3.073 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.174 -12.278 3.567 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.427 -11.637 2.582 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.686 -10.172 1.968 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.067 -11.519 0.646 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.741 -12.999 1.298 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.580 -12.280 -0.931 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.774 -12.623 0.226 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.389 -11.011 -0.144 1.00 21.93 H new ATOM 190 N THR A 12 -3.791 -11.183 5.067 1.00 9.63 N ATOM 191 CA THR A 12 -2.505 -10.769 4.674 1.00 9.85 C ATOM 192 C THR A 12 -2.551 -10.964 3.179 1.00 11.66 C ATOM 193 O THR A 12 -3.106 -11.934 2.648 1.00 12.33 O ATOM 194 CB THR A 12 -1.343 -11.564 5.252 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.426 -11.422 6.683 1.00 10.91 O ATOM 196 CG2 THR A 12 0.039 -10.994 4.868 1.00 9.63 C ATOM 0 H THR A 12 -3.994 -12.153 4.827 1.00 9.63 H new ATOM 0 HA THR A 12 -2.311 -9.757 5.029 1.00 9.85 H new ATOM 0 HB THR A 12 -1.420 -12.584 4.876 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.169 -12.265 7.111 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.822 -11.608 5.313 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.146 -10.999 3.783 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.126 -9.972 5.236 1.00 9.63 H new ATOM 204 N ILE A 13 -1.922 -10.002 2.418 1.00 10.42 N ATOM 205 CA ILE A 13 -1.487 -10.326 1.053 1.00 11.84 C ATOM 206 C ILE A 13 0.033 -10.102 0.941 1.00 10.55 C ATOM 207 O ILE A 13 0.647 -9.236 1.574 1.00 11.92 O ATOM 208 CB ILE A 13 -2.212 -9.592 -0.022 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.214 -8.032 0.047 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.592 -10.219 -0.219 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.199 -7.255 -0.772 1.00 16.46 C ATOM 0 H ILE A 13 -1.723 -9.050 2.726 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.736 -11.374 0.888 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.619 -9.729 -0.926 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.365 -7.752 1.090 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.217 -7.692 -0.233 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.126 -9.685 -1.005 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.479 -11.265 -0.504 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.157 -10.155 0.711 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.055 -6.189 -0.599 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.047 -7.475 -1.829 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.212 -7.536 -0.485 1.00 16.46 H new ATOM 223 N THR A 14 0.668 -10.905 0.055 1.00 9.39 N ATOM 224 CA THR A 14 2.071 -10.882 -0.198 1.00 9.63 C ATOM 225 C THR A 14 2.313 -10.348 -1.600 1.00 11.20 C ATOM 226 O THR A 14 1.815 -10.944 -2.604 1.00 11.63 O ATOM 227 CB THR A 14 2.785 -12.199 -0.089 1.00 10.38 C ATOM 228 OG1 THR A 14 2.410 -12.886 1.091 1.00 16.30 O ATOM 229 CG2 THR A 14 4.326 -11.872 0.000 1.00 11.66 C ATOM 0 H THR A 14 0.173 -11.599 -0.506 1.00 9.39 H new ATOM 0 HA THR A 14 2.480 -10.248 0.589 1.00 9.63 H new ATOM 0 HB THR A 14 2.537 -12.826 -0.945 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.887 -13.741 1.138 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.891 -12.801 0.081 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.636 -11.335 -0.897 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.517 -11.254 0.877 1.00 11.66 H new ATOM 237 N LEU A 15 3.091 -9.242 -1.789 1.00 8.29 N ATOM 238 CA LEU A 15 3.137 -8.500 -2.998 1.00 9.03 C ATOM 239 C LEU A 15 4.590 -8.511 -3.613 1.00 8.59 C ATOM 240 O LEU A 15 5.584 -8.698 -2.906 1.00 7.79 O ATOM 241 CB LEU A 15 2.696 -7.010 -2.854 1.00 11.08 C ATOM 242 CG LEU A 15 1.377 -6.760 -2.129 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.169 -5.282 -2.020 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.187 -7.349 -2.961 1.00 15.27 C ATOM 0 H LEU A 15 3.702 -8.867 -1.063 1.00 8.29 H new ATOM 0 HA LEU A 15 2.423 -9.001 -3.651 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.483 -6.470 -2.327 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.625 -6.577 -3.852 1.00 11.08 H new ATOM 0 HG LEU A 15 1.413 -7.231 -1.147 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.230 -5.084 -1.504 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.992 -4.839 -1.459 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.134 -4.845 -3.018 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.750 -7.166 -2.436 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.154 -6.869 -3.939 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.328 -8.422 -3.088 1.00 15.27 H new ATOM 256 N GLU A 16 4.704 -8.287 -4.869 1.00 11.04 N ATOM 257 CA GLU A 16 5.944 -8.224 -5.671 1.00 11.50 C ATOM 258 C GLU A 16 6.124 -6.911 -6.391 1.00 10.13 C ATOM 259 O GLU A 16 5.503 -6.655 -7.426 1.00 9.83 O ATOM 260 CB GLU A 16 6.135 -9.419 -6.638 1.00 17.22 C ATOM 261 CG GLU A 16 7.636 -9.630 -7.075 1.00 23.33 C ATOM 262 CD GLU A 16 8.579 -10.175 -6.012 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.146 -11.079 -5.194 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.763 -9.774 -5.921 1.00 28.90 O ATOM 0 H GLU A 16 3.879 -8.124 -5.446 1.00 11.04 H new ATOM 0 HA GLU A 16 6.737 -8.299 -4.927 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.772 -10.328 -6.158 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.523 -9.261 -7.526 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.652 -10.310 -7.927 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.028 -8.674 -7.423 1.00 23.33 H new ATOM 271 N VAL A 17 7.052 -6.113 -5.783 1.00 8.99 N ATOM 272 CA VAL A 17 7.267 -4.736 -6.085 1.00 8.85 C ATOM 273 C VAL A 17 8.724 -4.390 -6.477 1.00 8.04 C ATOM 274 O VAL A 17 9.615 -5.229 -6.328 1.00 8.99 O ATOM 275 CB VAL A 17 6.922 -3.729 -4.932 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.394 -3.875 -4.699 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.687 -3.979 -3.646 1.00 10.54 C ATOM 0 H VAL A 17 7.672 -6.459 -5.050 1.00 8.99 H new ATOM 0 HA VAL A 17 6.579 -4.615 -6.921 1.00 8.85 H new ATOM 0 HB VAL A 17 7.213 -2.721 -5.226 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.081 -3.198 -3.904 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.861 -3.628 -5.617 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.166 -4.902 -4.413 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.393 -3.242 -2.899 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.462 -4.980 -3.277 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.757 -3.895 -3.837 1.00 10.54 H new ATOM 287 N GLU A 18 9.002 -3.208 -6.967 1.00 7.29 N ATOM 288 CA GLU A 18 10.312 -2.711 -6.998 1.00 7.08 C ATOM 289 C GLU A 18 10.341 -1.460 -6.087 1.00 6.45 C ATOM 290 O GLU A 18 9.319 -0.760 -5.988 1.00 5.28 O ATOM 291 CB GLU A 18 10.612 -2.274 -8.429 1.00 10.28 C ATOM 292 CG GLU A 18 10.826 -3.461 -9.324 1.00 12.65 C ATOM 293 CD GLU A 18 12.032 -4.262 -8.884 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.022 -3.650 -8.425 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.072 -5.510 -9.038 1.00 18.17 O ATOM 0 H GLU A 18 8.303 -2.574 -7.354 1.00 7.29 H new ATOM 0 HA GLU A 18 11.036 -3.456 -6.669 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.787 -1.672 -8.809 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.499 -1.641 -8.441 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.940 -4.095 -9.311 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.963 -3.126 -10.352 1.00 12.65 H new ATOM 302 N PRO A 19 11.470 -1.164 -5.369 1.00 7.24 N ATOM 303 CA PRO A 19 11.627 0.005 -4.510 1.00 7.07 C ATOM 304 C PRO A 19 11.477 1.398 -5.203 1.00 6.65 C ATOM 305 O PRO A 19 11.116 2.325 -4.466 1.00 6.37 O ATOM 306 CB PRO A 19 13.011 -0.231 -3.939 1.00 7.61 C ATOM 307 CG PRO A 19 13.785 -0.857 -5.086 1.00 8.16 C ATOM 308 CD PRO A 19 12.785 -1.728 -5.735 1.00 7.49 C ATOM 0 HA PRO A 19 10.828 0.079 -3.772 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.471 0.701 -3.610 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.977 -0.892 -3.073 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.167 -0.102 -5.773 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.643 -1.426 -4.729 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.919 -1.740 -6.817 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.880 -2.758 -5.390 1.00 7.49 H new ATOM 316 N SER A 20 11.537 1.435 -6.533 1.00 6.80 N ATOM 317 CA SER A 20 11.153 2.614 -7.233 1.00 6.28 C ATOM 318 C SER A 20 9.738 2.682 -7.725 1.00 8.45 C ATOM 319 O SER A 20 9.311 3.638 -8.459 1.00 7.26 O ATOM 320 CB SER A 20 12.063 2.816 -8.466 1.00 8.57 C ATOM 321 OG SER A 20 12.008 1.823 -9.423 1.00 11.13 O ATOM 0 H SER A 20 11.846 0.662 -7.123 1.00 6.80 H new ATOM 0 HA SER A 20 11.255 3.392 -6.476 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.800 3.763 -8.937 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.093 2.906 -8.122 1.00 8.57 H new ATOM 0 HG SER A 20 12.616 2.044 -10.159 1.00 11.13 H new ATOM 327 N ASP A 21 8.901 1.736 -7.291 1.00 7.50 N ATOM 328 CA ASP A 21 7.473 1.813 -7.445 1.00 7.70 C ATOM 329 C ASP A 21 6.874 2.894 -6.531 1.00 7.08 C ATOM 330 O ASP A 21 7.107 2.861 -5.312 1.00 8.11 O ATOM 331 CB ASP A 21 6.673 0.516 -7.243 1.00 11.00 C ATOM 332 CG ASP A 21 6.887 -0.512 -8.298 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.908 -0.126 -9.462 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.896 -1.738 -8.030 1.00 14.36 O ATOM 0 H ASP A 21 9.216 0.889 -6.818 1.00 7.50 H new ATOM 0 HA ASP A 21 7.368 2.059 -8.502 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.938 0.087 -6.277 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.612 0.761 -7.202 1.00 11.00 H new ATOM 339 N THR A 22 6.025 3.784 -7.108 1.00 5.37 N ATOM 340 CA THR A 22 5.130 4.680 -6.407 1.00 6.01 C ATOM 341 C THR A 22 4.024 3.906 -5.725 1.00 8.01 C ATOM 342 O THR A 22 3.670 2.807 -6.240 1.00 8.11 O ATOM 343 CB THR A 22 4.392 5.703 -7.322 1.00 8.92 C ATOM 344 OG1 THR A 22 3.905 5.086 -8.491 1.00 10.22 O ATOM 345 CG2 THR A 22 5.410 6.732 -7.751 1.00 9.65 C ATOM 0 H THR A 22 5.959 3.884 -8.121 1.00 5.37 H new ATOM 0 HA THR A 22 5.785 5.209 -5.715 1.00 6.01 H new ATOM 0 HB THR A 22 3.555 6.134 -6.772 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.446 5.751 -9.045 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.932 7.470 -8.396 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.818 7.229 -6.871 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.216 6.241 -8.297 1.00 9.65 H new ATOM 353 N ILE A 23 3.428 4.496 -4.689 1.00 8.32 N ATOM 354 CA ILE A 23 2.313 4.022 -3.931 1.00 9.92 C ATOM 355 C ILE A 23 1.117 3.774 -4.853 1.00 10.01 C ATOM 356 O ILE A 23 0.505 2.701 -4.800 1.00 8.71 O ATOM 357 CB ILE A 23 2.031 4.943 -2.742 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.217 4.949 -1.723 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.635 4.665 -2.148 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.547 3.642 -1.029 1.00 12.30 C ATOM 0 H ILE A 23 3.757 5.397 -4.343 1.00 8.32 H new ATOM 0 HA ILE A 23 2.546 3.055 -3.485 1.00 9.92 H new ATOM 0 HB ILE A 23 1.981 5.976 -3.087 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.111 5.287 -2.248 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.998 5.692 -0.956 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.459 5.333 -1.304 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.125 4.835 -2.910 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.583 3.630 -1.809 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.388 3.792 -0.352 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.680 3.302 -0.462 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.810 2.891 -1.774 1.00 12.30 H new ATOM 372 N GLU A 24 0.857 4.655 -5.905 1.00 9.54 N ATOM 373 CA GLU A 24 -0.052 4.398 -6.977 1.00 11.81 C ATOM 374 C GLU A 24 0.122 3.049 -7.656 1.00 11.14 C ATOM 375 O GLU A 24 -0.839 2.251 -7.672 1.00 10.62 O ATOM 376 CB GLU A 24 0.108 5.546 -7.997 1.00 19.24 C ATOM 377 CG GLU A 24 -0.968 5.419 -9.168 1.00 27.76 C ATOM 378 CD GLU A 24 -0.973 6.559 -10.107 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.940 7.705 -9.598 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.207 6.409 -11.310 1.00 36.51 O ATOM 0 H GLU A 24 1.312 5.565 -5.979 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.057 4.356 -6.557 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.009 6.505 -7.493 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.113 5.527 -8.418 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.775 4.503 -9.726 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.960 5.321 -8.727 1.00 27.76 H new ATOM 387 N ASN A 25 1.379 2.627 -8.100 1.00 9.43 N ATOM 388 CA ASN A 25 1.730 1.323 -8.606 1.00 10.96 C ATOM 389 C ASN A 25 1.585 0.167 -7.598 1.00 9.68 C ATOM 390 O ASN A 25 1.055 -0.852 -7.886 1.00 9.33 O ATOM 391 CB ASN A 25 3.196 1.363 -9.187 1.00 16.78 C ATOM 392 CG ASN A 25 3.232 1.974 -10.583 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.036 1.305 -11.630 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.515 3.292 -10.642 1.00 24.70 N ATOM 0 H ASN A 25 2.180 3.259 -8.093 1.00 9.43 H new ATOM 0 HA ASN A 25 1.003 1.103 -9.388 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.836 1.941 -8.520 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.602 0.352 -9.222 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.573 3.761 -11.546 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.671 3.819 -9.783 1.00 24.70 H new ATOM 401 N VAL A 26 1.968 0.382 -6.350 1.00 6.52 N ATOM 402 CA VAL A 26 1.701 -0.561 -5.249 1.00 5.53 C ATOM 403 C VAL A 26 0.251 -0.818 -4.954 1.00 4.42 C ATOM 404 O VAL A 26 -0.142 -1.948 -4.807 1.00 3.40 O ATOM 405 CB VAL A 26 2.414 -0.184 -3.963 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.124 -1.232 -2.830 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.984 -0.159 -4.261 1.00 8.12 C ATOM 0 H VAL A 26 2.476 1.217 -6.059 1.00 6.52 H new ATOM 0 HA VAL A 26 2.111 -1.494 -5.635 1.00 5.53 H new ATOM 0 HB VAL A 26 2.059 0.790 -3.625 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.647 -0.938 -1.920 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.052 -1.271 -2.636 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.472 -2.215 -3.146 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.523 0.110 -3.352 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.307 -1.145 -4.596 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.195 0.575 -5.038 1.00 8.12 H new ATOM 417 N LYS A 27 -0.574 0.249 -5.032 1.00 2.64 N ATOM 418 CA LYS A 27 -2.026 0.124 -5.029 1.00 4.14 C ATOM 419 C LYS A 27 -2.659 -0.547 -6.182 1.00 5.58 C ATOM 420 O LYS A 27 -3.683 -1.221 -6.019 1.00 4.11 O ATOM 421 CB LYS A 27 -2.797 1.464 -4.850 1.00 3.97 C ATOM 422 CG LYS A 27 -2.444 2.222 -3.577 1.00 7.45 C ATOM 423 CD LYS A 27 -3.172 3.552 -3.528 1.00 9.02 C ATOM 424 CE LYS A 27 -3.253 4.283 -2.195 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.313 5.273 -2.154 1.00 15.47 N ATOM 0 H LYS A 27 -0.242 1.211 -5.098 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.121 -0.520 -4.155 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.595 2.104 -5.709 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.867 1.257 -4.852 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.710 1.624 -2.706 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.368 2.389 -3.533 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.693 4.219 -4.244 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.191 3.386 -3.878 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.411 3.557 -1.398 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.299 4.772 -1.997 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.709 5.318 -1.193 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.929 6.204 -2.414 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.062 5.008 -2.825 1.00 15.47 H new ATOM 439 N ALA A 28 -2.124 -0.373 -7.404 1.00 6.61 N ATOM 440 CA ALA A 28 -2.523 -1.175 -8.562 1.00 7.74 C ATOM 441 C ALA A 28 -2.329 -2.698 -8.440 1.00 9.17 C ATOM 442 O ALA A 28 -3.260 -3.441 -8.674 1.00 11.45 O ATOM 443 CB ALA A 28 -1.869 -0.655 -9.870 1.00 7.68 C ATOM 0 H ALA A 28 -1.408 0.324 -7.610 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.603 -1.035 -8.598 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.188 -1.275 -10.708 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.175 0.377 -10.045 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.784 -0.701 -9.777 1.00 7.68 H new ATOM 449 N LYS A 29 -1.201 -3.169 -7.847 1.00 8.96 N ATOM 450 CA LYS A 29 -0.905 -4.494 -7.414 1.00 7.90 C ATOM 451 C LYS A 29 -2.043 -4.985 -6.514 1.00 6.92 C ATOM 452 O LYS A 29 -2.682 -6.002 -6.794 1.00 6.87 O ATOM 453 CB LYS A 29 0.486 -4.560 -6.586 1.00 10.28 C ATOM 454 CG LYS A 29 1.707 -4.141 -7.300 1.00 14.94 C ATOM 455 CD LYS A 29 2.082 -4.990 -8.524 1.00 19.69 C ATOM 456 CE LYS A 29 3.350 -4.665 -9.249 1.00 22.63 C ATOM 457 NZ LYS A 29 3.389 -3.247 -9.556 1.00 24.98 N ATOM 0 H LYS A 29 -0.420 -2.540 -7.657 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.803 -5.125 -8.297 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.382 -3.937 -5.697 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.628 -5.585 -6.243 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.582 -3.107 -7.621 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.541 -4.158 -6.598 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.140 -6.030 -8.203 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.263 -4.922 -9.240 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.210 -4.938 -8.638 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.414 -5.248 -10.168 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.201 -3.048 -10.175 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.510 -2.972 -10.039 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.484 -2.703 -8.674 1.00 24.98 H new ATOM 471 N ILE A 30 -2.378 -4.229 -5.433 1.00 4.57 N ATOM 472 CA ILE A 30 -3.487 -4.464 -4.513 1.00 5.58 C ATOM 473 C ILE A 30 -4.855 -4.503 -5.164 1.00 7.26 C ATOM 474 O ILE A 30 -5.697 -5.351 -4.795 1.00 9.46 O ATOM 475 CB ILE A 30 -3.441 -3.526 -3.330 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.082 -3.593 -2.584 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.612 -3.715 -2.345 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.822 -2.449 -1.674 1.00 2.00 C ATOM 0 H ILE A 30 -1.842 -3.398 -5.181 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.336 -5.478 -4.142 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.550 -2.529 -3.756 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.044 -4.516 -2.006 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.280 -3.645 -3.320 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.512 -3.008 -1.521 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.555 -3.539 -2.863 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.598 -4.732 -1.954 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.851 -2.578 -1.195 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.824 -1.521 -2.246 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.600 -2.406 -0.912 1.00 2.00 H new ATOM 490 N GLN A 31 -5.177 -3.629 -6.133 1.00 7.06 N ATOM 491 CA GLN A 31 -6.362 -3.769 -6.926 1.00 8.67 C ATOM 492 C GLN A 31 -6.412 -5.068 -7.769 1.00 10.90 C ATOM 493 O GLN A 31 -7.389 -5.823 -7.923 1.00 9.63 O ATOM 494 CB GLN A 31 -6.581 -2.556 -7.889 1.00 9.12 C ATOM 495 CG GLN A 31 -7.838 -2.768 -8.704 1.00 10.76 C ATOM 496 CD GLN A 31 -8.332 -1.485 -9.418 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.318 -0.877 -9.043 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.588 -1.012 -10.426 1.00 14.76 N ATOM 0 H GLN A 31 -4.610 -2.815 -6.371 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.161 -3.811 -6.186 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.661 -1.633 -7.314 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.722 -2.446 -8.551 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.653 -3.541 -9.450 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.628 -3.138 -8.050 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.763 -1.526 -10.736 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.846 -0.138 -10.884 1.00 14.76 H new ATOM 507 N ASP A 32 -5.318 -5.487 -8.314 1.00 10.93 N ATOM 508 CA ASP A 32 -5.247 -6.713 -9.057 1.00 14.01 C ATOM 509 C ASP A 32 -5.473 -7.961 -8.164 1.00 14.04 C ATOM 510 O ASP A 32 -6.274 -8.848 -8.481 1.00 13.39 O ATOM 511 CB ASP A 32 -3.859 -6.741 -9.730 1.00 18.01 C ATOM 512 CG ASP A 32 -3.864 -7.772 -10.898 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.202 -7.425 -12.060 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.455 -8.942 -10.686 1.00 25.17 O ATOM 0 H ASP A 32 -4.432 -4.984 -8.258 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.044 -6.749 -9.800 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.607 -5.750 -10.108 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.095 -7.008 -9.000 1.00 18.01 H new ATOM 519 N LYS A 33 -4.930 -7.931 -6.955 1.00 14.22 N ATOM 520 CA LYS A 33 -5.081 -8.920 -5.943 1.00 14.00 C ATOM 521 C LYS A 33 -6.504 -8.966 -5.477 1.00 12.37 C ATOM 522 O LYS A 33 -7.213 -9.962 -5.562 1.00 12.17 O ATOM 523 CB LYS A 33 -4.189 -8.574 -4.728 1.00 18.62 C ATOM 524 CG LYS A 33 -2.671 -8.775 -5.076 1.00 24.00 C ATOM 525 CD LYS A 33 -2.147 -10.144 -4.590 1.00 27.61 C ATOM 526 CE LYS A 33 -0.729 -10.492 -5.034 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.697 -10.750 -6.469 1.00 30.06 N ATOM 0 H LYS A 33 -4.337 -7.157 -6.654 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.791 -9.884 -6.361 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.364 -7.542 -4.425 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.459 -9.205 -3.881 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.532 -8.694 -6.154 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.085 -7.978 -4.618 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.185 -10.164 -3.501 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.823 -10.921 -4.946 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.053 -9.673 -4.790 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.376 -11.369 -4.492 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.254 -11.068 -6.743 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.390 -11.489 -6.704 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.933 -9.878 -6.984 1.00 30.06 H new ATOM 541 N GLU A 34 -7.016 -7.829 -4.992 1.00 10.11 N ATOM 542 CA GLU A 34 -8.153 -7.847 -4.091 1.00 10.07 C ATOM 543 C GLU A 34 -9.416 -7.170 -4.695 1.00 9.32 C ATOM 544 O GLU A 34 -10.482 -7.277 -4.161 1.00 11.61 O ATOM 545 CB GLU A 34 -7.796 -7.059 -2.805 1.00 14.77 C ATOM 546 CG GLU A 34 -6.801 -7.858 -1.860 1.00 18.75 C ATOM 547 CD GLU A 34 -7.337 -9.229 -1.473 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.365 -9.286 -0.714 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.808 -10.279 -1.971 1.00 21.95 O ATOM 0 H GLU A 34 -6.659 -6.899 -5.211 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.374 -8.896 -3.894 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.344 -6.106 -3.080 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.710 -6.832 -2.256 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.842 -7.976 -2.365 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.617 -7.276 -0.957 1.00 18.75 H new ATOM 556 N GLY A 35 -9.295 -6.380 -5.768 1.00 7.22 N ATOM 557 CA GLY A 35 -10.457 -5.803 -6.441 1.00 6.29 C ATOM 558 C GLY A 35 -10.914 -4.504 -5.734 1.00 6.93 C ATOM 559 O GLY A 35 -12.084 -4.127 -5.841 1.00 7.41 O ATOM 0 H GLY A 35 -8.400 -6.127 -6.187 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.211 -5.589 -7.481 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.274 -6.525 -6.449 1.00 6.29 H new ATOM 563 N ILE A 36 -10.001 -3.850 -5.034 1.00 5.86 N ATOM 564 CA ILE A 36 -10.309 -2.680 -4.214 1.00 6.07 C ATOM 565 C ILE A 36 -9.742 -1.466 -4.866 1.00 6.36 C ATOM 566 O ILE A 36 -8.533 -1.472 -5.154 1.00 6.18 O ATOM 567 CB ILE A 36 -9.671 -2.926 -2.820 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.099 -4.225 -2.161 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.017 -1.772 -1.888 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.502 -4.500 -0.788 1.00 9.49 C ATOM 0 H ILE A 36 -9.016 -4.115 -5.016 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.383 -2.525 -4.106 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.597 -2.997 -2.993 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.185 -4.224 -2.070 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.835 -5.050 -2.823 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.568 -1.947 -0.910 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.631 -0.841 -2.303 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.100 -1.701 -1.783 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.876 -5.453 -0.413 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.416 -4.542 -0.865 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.786 -3.703 -0.101 1.00 9.49 H new ATOM 582 N PRO A 37 -10.501 -0.407 -5.184 1.00 8.65 N ATOM 583 CA PRO A 37 -9.922 0.708 -5.979 1.00 9.18 C ATOM 584 C PRO A 37 -8.818 1.493 -5.332 1.00 9.85 C ATOM 585 O PRO A 37 -8.994 1.826 -4.156 1.00 8.51 O ATOM 586 CB PRO A 37 -11.144 1.659 -6.254 1.00 11.42 C ATOM 587 CG PRO A 37 -12.289 0.629 -6.419 1.00 9.27 C ATOM 588 CD PRO A 37 -11.930 -0.579 -5.496 1.00 8.33 C ATOM 0 HA PRO A 37 -9.441 0.287 -6.862 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.325 2.348 -5.429 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.002 2.265 -7.149 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.247 1.064 -6.135 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.379 0.311 -7.458 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.535 -0.577 -4.589 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.113 -1.528 -5.999 1.00 8.33 H new ATOM 596 N PRO A 38 -7.752 1.887 -5.968 1.00 8.71 N ATOM 597 CA PRO A 38 -6.760 2.810 -5.433 1.00 9.08 C ATOM 598 C PRO A 38 -7.235 4.066 -4.613 1.00 9.28 C ATOM 599 O PRO A 38 -6.533 4.396 -3.654 1.00 6.50 O ATOM 600 CB PRO A 38 -5.860 3.114 -6.620 1.00 10.31 C ATOM 601 CG PRO A 38 -6.064 1.908 -7.540 1.00 10.81 C ATOM 602 CD PRO A 38 -7.467 1.520 -7.314 1.00 12.00 C ATOM 0 HA PRO A 38 -6.243 2.328 -4.604 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.143 4.045 -7.110 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.818 3.217 -6.318 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.885 2.167 -8.583 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.380 1.096 -7.291 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.132 2.032 -8.009 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.608 0.450 -7.467 1.00 12.00 H new ATOM 610 N ASP A 39 -8.339 4.724 -5.007 1.00 11.20 N ATOM 611 CA ASP A 39 -8.992 5.878 -4.337 1.00 14.96 C ATOM 612 C ASP A 39 -9.736 5.350 -3.099 1.00 13.99 C ATOM 613 O ASP A 39 -9.834 6.114 -2.157 1.00 13.75 O ATOM 614 CB ASP A 39 -10.024 6.681 -5.222 1.00 24.16 C ATOM 615 CG ASP A 39 -9.275 7.573 -6.188 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.756 7.092 -7.249 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.025 8.801 -5.848 1.00 35.55 O ATOM 0 H ASP A 39 -8.836 4.452 -5.855 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.192 6.579 -4.100 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.664 5.990 -5.770 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.675 7.281 -4.586 1.00 24.16 H new ATOM 622 N GLN A 40 -10.328 4.145 -3.044 1.00 11.60 N ATOM 623 CA GLN A 40 -10.788 3.494 -1.837 1.00 10.76 C ATOM 624 C GLN A 40 -9.667 3.047 -0.877 1.00 8.01 C ATOM 625 O GLN A 40 -9.796 3.140 0.322 1.00 8.96 O ATOM 626 CB GLN A 40 -11.653 2.272 -2.159 1.00 11.14 C ATOM 627 CG GLN A 40 -12.283 1.679 -0.847 1.00 14.85 C ATOM 628 CD GLN A 40 -13.026 0.377 -1.136 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.871 -0.305 -2.163 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.814 -0.044 -0.132 1.00 18.16 N ATOM 0 H GLN A 40 -10.499 3.587 -3.881 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.368 4.264 -1.327 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.444 2.553 -2.854 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.049 1.512 -2.654 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.498 1.499 -0.112 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.969 2.404 -0.409 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.928 0.531 0.703 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.298 -0.939 -0.205 1.00 18.16 H new ATOM 639 N GLN A 41 -8.506 2.624 -1.469 1.00 6.52 N ATOM 640 CA GLN A 41 -7.320 2.333 -0.700 1.00 3.87 C ATOM 641 C GLN A 41 -6.646 3.487 0.135 1.00 4.79 C ATOM 642 O GLN A 41 -6.506 4.606 -0.317 1.00 6.34 O ATOM 643 CB GLN A 41 -6.228 1.575 -1.501 1.00 4.20 C ATOM 644 CG GLN A 41 -6.675 0.263 -2.168 1.00 3.20 C ATOM 645 CD GLN A 41 -5.538 -0.294 -2.971 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.421 -0.477 -2.479 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.804 -0.545 -4.275 1.00 7.13 N ATOM 0 H GLN A 41 -8.398 2.487 -2.474 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.769 1.686 0.054 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.844 2.241 -2.274 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.399 1.354 -0.829 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.988 -0.456 -1.411 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.536 0.443 -2.811 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.740 -0.381 -4.645 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.068 -0.898 -4.887 1.00 7.13 H new ATOM 656 N ARG A 42 -6.233 3.259 1.400 1.00 5.73 N ATOM 657 CA ARG A 42 -5.372 4.134 2.201 1.00 6.97 C ATOM 658 C ARG A 42 -4.279 3.146 2.711 1.00 7.15 C ATOM 659 O ARG A 42 -4.609 2.080 3.265 1.00 7.33 O ATOM 660 CB ARG A 42 -6.013 4.703 3.419 1.00 13.23 C ATOM 661 CG ARG A 42 -7.262 5.550 3.028 1.00 21.27 C ATOM 662 CD ARG A 42 -7.696 6.322 4.288 1.00 26.14 C ATOM 663 NE ARG A 42 -9.050 6.970 4.124 1.00 32.26 N ATOM 664 CZ ARG A 42 -10.139 6.637 4.810 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.112 5.755 5.796 1.00 35.30 N ATOM 666 NH2 ARG A 42 -11.315 7.168 4.486 1.00 36.39 N ATOM 0 H ARG A 42 -6.508 2.418 1.908 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.054 4.986 1.600 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.307 3.898 4.093 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.298 5.325 3.958 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.023 6.238 2.218 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.068 4.907 2.673 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.722 5.640 5.138 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.954 7.088 4.516 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.135 7.718 3.436 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.234 5.304 6.053 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.969 5.526 6.299 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -11.380 7.829 3.712 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -12.152 6.914 5.011 1.00 36.39 H new ATOM 680 N LEU A 43 -3.001 3.459 2.553 1.00 4.65 N ATOM 681 CA LEU A 43 -1.896 2.696 2.966 1.00 3.51 C ATOM 682 C LEU A 43 -1.088 3.416 4.068 1.00 5.56 C ATOM 683 O LEU A 43 -0.771 4.580 3.941 1.00 4.19 O ATOM 684 CB LEU A 43 -0.961 2.334 1.755 1.00 3.74 C ATOM 685 CG LEU A 43 -1.599 1.362 0.755 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.604 1.175 -0.449 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.971 0.050 1.459 1.00 6.41 C ATOM 0 H LEU A 43 -2.719 4.325 2.094 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.290 1.769 3.383 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.686 3.250 1.233 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.039 1.896 2.137 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.533 1.756 0.355 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.037 0.486 -1.175 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.424 2.139 -0.925 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.339 0.770 -0.082 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.423 -0.633 0.740 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.074 -0.406 1.877 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.681 0.256 2.260 1.00 6.41 H new ATOM 699 N ILE A 44 -0.822 2.704 5.210 1.00 4.58 N ATOM 700 CA ILE A 44 -0.175 3.220 6.370 1.00 5.55 C ATOM 701 C ILE A 44 1.049 2.364 6.587 1.00 5.46 C ATOM 702 O ILE A 44 1.083 1.177 6.341 1.00 6.04 O ATOM 703 CB ILE A 44 -1.058 3.303 7.638 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.340 4.088 7.309 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.363 3.808 8.933 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.323 4.190 8.459 1.00 13.90 C ATOM 0 H ILE A 44 -1.079 1.722 5.308 1.00 4.58 H new ATOM 0 HA ILE A 44 0.080 4.265 6.192 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.301 2.274 7.901 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.065 5.094 6.992 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.836 3.612 6.463 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.083 3.822 9.751 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.461 3.142 9.187 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.021 4.815 8.771 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.197 4.759 8.141 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.632 3.190 8.764 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.848 4.695 9.300 1.00 13.90 H new ATOM 718 N PHE A 45 2.170 3.040 6.979 1.00 6.75 N ATOM 719 CA PHE A 45 3.258 2.288 7.591 1.00 4.70 C ATOM 720 C PHE A 45 3.837 3.206 8.701 1.00 6.34 C ATOM 721 O PHE A 45 3.859 4.447 8.492 1.00 5.45 O ATOM 722 CB PHE A 45 4.294 1.967 6.435 1.00 5.51 C ATOM 723 CG PHE A 45 5.696 1.663 6.958 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.969 0.498 7.633 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.667 2.616 6.607 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.314 0.248 7.966 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.973 2.475 7.118 1.00 6.64 C ATOM 728 CZ PHE A 45 8.317 1.226 7.724 1.00 6.84 C ATOM 0 H PHE A 45 2.322 4.044 6.882 1.00 6.75 H new ATOM 0 HA PHE A 45 2.965 1.341 8.045 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.934 1.115 5.859 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.343 2.815 5.752 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.185 -0.197 7.897 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.417 3.442 5.957 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.587 -0.698 8.410 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.689 3.281 7.054 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.342 1.025 7.999 1.00 6.84 H new ATOM 738 N ALA A 46 4.286 2.617 9.819 1.00 6.53 N ATOM 739 CA ALA A 46 4.912 3.255 10.982 1.00 7.15 C ATOM 740 C ALA A 46 4.209 4.493 11.543 1.00 9.00 C ATOM 741 O ALA A 46 4.778 5.531 11.848 1.00 11.15 O ATOM 742 CB ALA A 46 6.425 3.620 10.692 1.00 8.99 C ATOM 0 H ALA A 46 4.215 1.607 9.941 1.00 6.53 H new ATOM 0 HA ALA A 46 4.824 2.490 11.753 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.861 4.091 11.573 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.979 2.712 10.455 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.478 4.308 9.849 1.00 8.99 H new ATOM 748 N GLY A 47 2.904 4.356 11.577 1.00 9.35 N ATOM 749 CA GLY A 47 2.030 5.407 12.040 1.00 11.68 C ATOM 750 C GLY A 47 1.816 6.590 11.104 1.00 11.14 C ATOM 751 O GLY A 47 1.224 7.623 11.509 1.00 13.93 O ATOM 0 H GLY A 47 2.417 3.509 11.283 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.057 4.967 12.258 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.426 5.787 12.982 1.00 11.68 H new ATOM 755 N LYS A 48 2.424 6.564 9.943 1.00 10.47 N ATOM 756 CA LYS A 48 2.281 7.557 8.847 1.00 8.82 C ATOM 757 C LYS A 48 1.609 6.982 7.615 1.00 7.68 C ATOM 758 O LYS A 48 1.931 5.920 7.134 1.00 6.47 O ATOM 759 CB LYS A 48 3.646 8.125 8.486 1.00 9.74 C ATOM 760 CG LYS A 48 3.668 9.218 7.473 1.00 14.14 C ATOM 761 CD LYS A 48 4.823 9.175 6.493 1.00 16.32 C ATOM 762 CE LYS A 48 6.212 9.441 7.129 1.00 20.04 C ATOM 763 NZ LYS A 48 6.382 10.797 7.502 1.00 23.92 N ATOM 0 H LYS A 48 3.074 5.816 9.700 1.00 10.47 H new ATOM 0 HA LYS A 48 1.632 8.352 9.215 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.112 8.497 9.398 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.269 7.309 8.120 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.735 9.187 6.910 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.693 10.174 7.996 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.839 8.197 6.011 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.648 9.913 5.711 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.334 8.807 8.007 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.993 9.160 6.422 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.331 10.929 7.906 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.275 11.404 6.664 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.665 11.055 8.210 1.00 23.92 H new ATOM 777 N GLN A 49 0.663 7.678 7.055 1.00 8.89 N ATOM 778 CA GLN A 49 0.007 7.403 5.831 1.00 7.18 C ATOM 779 C GLN A 49 0.947 7.755 4.674 1.00 8.23 C ATOM 780 O GLN A 49 1.724 8.693 4.666 1.00 9.70 O ATOM 781 CB GLN A 49 -1.373 8.042 5.657 1.00 11.67 C ATOM 782 CG GLN A 49 -2.270 7.541 4.500 1.00 15.82 C ATOM 783 CD GLN A 49 -3.524 8.367 4.542 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.589 7.825 4.881 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.548 9.682 4.205 1.00 20.67 N ATOM 0 H GLN A 49 0.306 8.528 7.492 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.216 6.336 5.837 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.923 7.905 6.588 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.229 9.115 5.526 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.764 7.653 3.541 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.499 6.482 4.618 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.688 10.152 3.923 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.426 10.200 4.234 1.00 20.67 H new ATOM 794 N LEU A 50 1.001 6.933 3.630 1.00 6.51 N ATOM 795 CA LEU A 50 1.908 6.997 2.478 1.00 7.41 C ATOM 796 C LEU A 50 1.202 7.536 1.244 1.00 8.27 C ATOM 797 O LEU A 50 0.096 7.090 0.933 1.00 8.34 O ATOM 798 CB LEU A 50 2.378 5.546 2.265 1.00 7.13 C ATOM 799 CG LEU A 50 2.798 4.626 3.448 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.263 3.246 2.846 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.940 5.313 4.310 1.00 9.11 C ATOM 0 H LEU A 50 0.363 6.141 3.558 1.00 6.51 H new ATOM 0 HA LEU A 50 2.743 7.675 2.655 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.575 5.031 1.738 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.229 5.589 1.585 1.00 7.13 H new ATOM 0 HG LEU A 50 1.959 4.459 4.123 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.564 2.579 3.654 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.440 2.795 2.291 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.107 3.407 2.176 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.221 4.655 5.132 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.810 5.498 3.680 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.575 6.259 4.710 1.00 9.11 H new ATOM 813 N GLU A 51 1.814 8.531 0.554 1.00 9.43 N ATOM 814 CA GLU A 51 1.186 9.395 -0.451 1.00 11.90 C ATOM 815 C GLU A 51 1.400 8.709 -1.802 1.00 11.49 C ATOM 816 O GLU A 51 2.449 8.182 -2.126 1.00 9.88 O ATOM 817 CB GLU A 51 1.910 10.670 -0.519 1.00 16.56 C ATOM 818 CG GLU A 51 1.498 11.691 0.638 1.00 26.06 C ATOM 819 CD GLU A 51 2.285 12.969 0.682 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.097 13.883 -0.112 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.249 13.072 1.516 1.00 32.13 O ATOM 0 H GLU A 51 2.799 8.754 0.696 1.00 9.43 H new ATOM 0 HA GLU A 51 0.136 9.562 -0.210 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.981 10.476 -0.459 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.724 11.134 -1.487 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.443 11.938 0.522 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.603 11.186 1.598 1.00 26.06 H new ATOM 828 N ASP A 52 0.323 8.765 -2.638 1.00 12.71 N ATOM 829 CA ASP A 52 0.137 8.082 -3.905 1.00 16.56 C ATOM 830 C ASP A 52 1.296 8.376 -4.912 1.00 15.83 C ATOM 831 O ASP A 52 1.844 7.400 -5.464 1.00 17.21 O ATOM 832 CB ASP A 52 -1.261 8.466 -4.434 1.00 21.05 C ATOM 833 CG ASP A 52 -2.388 8.109 -3.418 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.442 8.894 -2.397 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.157 7.130 -3.623 1.00 28.37 O ATOM 0 H ASP A 52 -0.487 9.339 -2.404 1.00 12.71 H new ATOM 0 HA ASP A 52 0.180 7.001 -3.769 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.288 9.535 -4.644 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.446 7.951 -5.377 1.00 21.05 H new ATOM 840 N GLY A 53 1.706 9.633 -5.001 1.00 15.00 N ATOM 841 CA GLY A 53 2.767 10.221 -5.829 1.00 11.77 C ATOM 842 C GLY A 53 4.190 10.032 -5.320 1.00 11.10 C ATOM 843 O GLY A 53 5.223 10.537 -5.852 1.00 11.25 O ATOM 0 H GLY A 53 1.257 10.352 -4.434 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.700 9.793 -6.829 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.575 11.290 -5.926 1.00 11.77 H new ATOM 847 N ARG A 54 4.367 9.319 -4.188 1.00 8.53 N ATOM 848 CA ARG A 54 5.705 9.013 -3.689 1.00 9.05 C ATOM 849 C ARG A 54 6.060 7.521 -3.835 1.00 8.96 C ATOM 850 O ARG A 54 5.169 6.762 -4.013 1.00 11.60 O ATOM 851 CB ARG A 54 5.809 9.374 -2.197 1.00 7.97 C ATOM 852 CG ARG A 54 5.563 10.855 -1.937 1.00 9.62 C ATOM 853 CD ARG A 54 6.044 11.346 -0.508 1.00 12.20 C ATOM 854 NE ARG A 54 5.412 12.744 -0.305 1.00 18.23 N ATOM 855 CZ ARG A 54 5.516 13.847 -1.095 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.379 14.091 -1.999 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.607 14.835 -0.856 1.00 23.38 N ATOM 0 H ARG A 54 3.606 8.953 -3.616 1.00 8.53 H new ATOM 0 HA ARG A 54 6.399 9.602 -4.288 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.087 8.784 -1.633 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.799 9.103 -1.829 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.076 11.438 -2.702 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.497 11.060 -2.041 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.722 10.655 0.271 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.132 11.398 -0.459 1.00 12.20 H new ATOM 0 HE ARG A 54 4.841 12.853 0.533 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.111 13.410 -2.203 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.338 14.967 -2.520 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.908 14.718 -0.122 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.626 15.691 -1.411 1.00 23.38 H new ATOM 871 N THR A 55 7.400 7.189 -3.750 1.00 9.05 N ATOM 872 CA THR A 55 7.798 5.806 -3.995 1.00 9.03 C ATOM 873 C THR A 55 8.173 5.171 -2.597 1.00 8.15 C ATOM 874 O THR A 55 8.299 5.825 -1.596 1.00 5.91 O ATOM 875 CB THR A 55 9.108 5.762 -4.811 1.00 11.15 C ATOM 876 OG1 THR A 55 10.056 6.625 -4.222 1.00 11.95 O ATOM 877 CG2 THR A 55 8.746 6.234 -6.240 1.00 11.71 C ATOM 0 H THR A 55 8.157 7.836 -3.527 1.00 9.05 H new ATOM 0 HA THR A 55 6.990 5.292 -4.516 1.00 9.03 H new ATOM 0 HB THR A 55 9.542 4.762 -4.835 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.911 6.156 -4.127 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.640 6.223 -6.864 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.998 5.565 -6.665 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.345 7.247 -6.198 1.00 11.71 H new ATOM 885 N LEU A 56 8.346 3.810 -2.650 1.00 6.91 N ATOM 886 CA LEU A 56 8.803 3.048 -1.492 1.00 8.29 C ATOM 887 C LEU A 56 10.194 3.448 -0.957 1.00 8.05 C ATOM 888 O LEU A 56 10.360 3.618 0.252 1.00 10.17 O ATOM 889 CB LEU A 56 8.764 1.555 -1.907 1.00 6.60 C ATOM 890 CG LEU A 56 7.402 0.853 -2.059 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.649 -0.597 -2.555 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.598 0.806 -0.747 1.00 8.64 C ATOM 0 H LEU A 56 8.172 3.247 -3.482 1.00 6.91 H new ATOM 0 HA LEU A 56 8.141 3.262 -0.653 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.287 1.465 -2.859 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.342 0.995 -1.172 1.00 6.60 H new ATOM 0 HG LEU A 56 6.812 1.428 -2.773 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.694 -1.110 -2.669 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.163 -0.570 -3.516 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.263 -1.130 -1.829 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.649 0.299 -0.920 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.166 0.264 0.009 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.409 1.822 -0.400 1.00 8.64 H new ATOM 904 N SER A 57 11.132 3.745 -1.836 1.00 8.92 N ATOM 905 CA SER A 57 12.473 4.276 -1.673 1.00 9.00 C ATOM 906 C SER A 57 12.474 5.665 -1.004 1.00 9.44 C ATOM 907 O SER A 57 13.350 5.934 -0.188 1.00 10.91 O ATOM 908 CB SER A 57 13.324 4.380 -2.991 1.00 10.32 C ATOM 909 OG SER A 57 12.645 5.213 -3.936 1.00 13.59 O ATOM 0 H SER A 57 10.941 3.597 -2.827 1.00 8.92 H new ATOM 0 HA SER A 57 12.946 3.531 -1.033 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.308 4.792 -2.769 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.482 3.388 -3.413 1.00 10.32 H new ATOM 0 HG SER A 57 13.177 5.278 -4.756 1.00 13.59 H new ATOM 915 N ASP A 58 11.502 6.538 -1.305 1.00 9.11 N ATOM 916 CA ASP A 58 11.411 7.895 -0.760 1.00 7.91 C ATOM 917 C ASP A 58 11.113 7.914 0.777 1.00 9.12 C ATOM 918 O ASP A 58 11.676 8.628 1.640 1.00 8.61 O ATOM 919 CB ASP A 58 10.422 8.861 -1.474 1.00 8.41 C ATOM 920 CG ASP A 58 10.730 10.302 -1.193 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.851 10.781 -1.541 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.789 11.003 -0.723 1.00 11.70 O ATOM 0 H ASP A 58 10.743 6.313 -1.948 1.00 9.11 H new ATOM 0 HA ASP A 58 12.412 8.279 -0.958 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.460 8.687 -2.549 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.405 8.640 -1.151 1.00 8.41 H new ATOM 927 N TYR A 59 10.273 6.968 1.249 1.00 7.97 N ATOM 928 CA TYR A 59 9.966 6.623 2.624 1.00 8.45 C ATOM 929 C TYR A 59 10.977 5.685 3.328 1.00 10.98 C ATOM 930 O TYR A 59 10.926 5.611 4.578 1.00 12.95 O ATOM 931 CB TYR A 59 8.557 5.920 2.685 1.00 7.94 C ATOM 932 CG TYR A 59 7.465 6.923 2.446 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.122 7.861 3.396 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.616 6.749 1.345 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.062 8.729 3.221 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.523 7.564 1.171 1.00 6.52 C ATOM 937 CZ TYR A 59 5.244 8.560 2.171 1.00 6.76 C ATOM 938 OH TYR A 59 4.232 9.438 1.921 1.00 7.63 O ATOM 0 H TYR A 59 9.750 6.379 0.601 1.00 7.97 H new ATOM 0 HA TYR A 59 10.001 7.574 3.155 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.504 5.129 1.937 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.420 5.448 3.658 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.701 7.919 4.306 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.822 5.968 0.628 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.894 9.534 3.921 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.888 7.459 0.304 1.00 6.52 H new ATOM 0 HH TYR A 59 4.485 10.329 2.242 1.00 7.63 H new ATOM 948 N ASN A 60 11.996 5.042 2.602 1.00 12.38 N ATOM 949 CA ASN A 60 13.003 4.051 3.021 1.00 13.94 C ATOM 950 C ASN A 60 12.347 2.791 3.516 1.00 14.16 C ATOM 951 O ASN A 60 12.719 2.167 4.486 1.00 14.26 O ATOM 952 CB ASN A 60 14.005 4.583 4.009 1.00 19.23 C ATOM 953 CG ASN A 60 14.892 5.558 3.196 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.757 5.100 2.433 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.717 6.819 3.417 1.00 24.09 N ATOM 0 H ASN A 60 12.109 5.255 1.611 1.00 12.38 H new ATOM 0 HA ASN A 60 13.580 3.811 2.128 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.511 5.095 4.835 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.598 3.778 4.442 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.310 7.506 2.951 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.986 7.128 4.058 1.00 24.09 H new ATOM 962 N ILE A 61 11.307 2.310 2.739 1.00 11.08 N ATOM 963 CA ILE A 61 10.567 1.018 3.026 1.00 11.78 C ATOM 964 C ILE A 61 11.424 -0.093 2.382 1.00 13.74 C ATOM 965 O ILE A 61 11.652 -0.191 1.196 1.00 14.60 O ATOM 966 CB ILE A 61 9.113 0.949 2.560 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.394 2.241 3.123 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.500 -0.216 3.372 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.007 2.469 2.494 1.00 11.42 C ATOM 0 H ILE A 61 10.964 2.797 1.911 1.00 11.08 H new ATOM 0 HA ILE A 61 10.458 0.915 4.106 1.00 11.78 H new ATOM 0 HB ILE A 61 9.021 0.850 1.478 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.288 2.151 4.204 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.022 3.112 2.935 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.452 -0.337 3.100 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.041 -1.137 3.153 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.575 0.004 4.437 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.559 3.368 2.917 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.112 2.588 1.416 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.367 1.612 2.704 1.00 11.42 H new ATOM 981 N GLN A 62 11.903 -0.901 3.327 1.00 13.97 N ATOM 982 CA GLN A 62 12.790 -2.092 3.038 1.00 15.52 C ATOM 983 C GLN A 62 12.026 -3.289 2.439 1.00 13.94 C ATOM 984 O GLN A 62 10.798 -3.288 2.359 1.00 12.15 O ATOM 985 CB GLN A 62 13.520 -2.489 4.375 1.00 19.53 C ATOM 986 CG GLN A 62 14.238 -1.337 5.135 1.00 26.38 C ATOM 987 CD GLN A 62 15.281 -0.661 4.165 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.291 -1.213 3.785 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.903 0.553 3.663 1.00 32.71 N ATOM 0 H GLN A 62 11.704 -0.773 4.319 1.00 13.97 H new ATOM 0 HA GLN A 62 13.514 -1.809 2.274 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.787 -2.937 5.046 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.256 -3.260 4.147 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.511 -0.601 5.479 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.742 -1.725 6.020 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.049 1.000 3.997 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.475 1.012 2.954 1.00 32.71 H new ATOM 998 N LYS A 63 12.746 -4.306 2.009 1.00 11.73 N ATOM 999 CA LYS A 63 12.176 -5.603 1.617 1.00 11.97 C ATOM 1000 C LYS A 63 11.379 -6.302 2.788 1.00 10.41 C ATOM 1001 O LYS A 63 11.701 -6.071 3.969 1.00 9.59 O ATOM 1002 CB LYS A 63 13.242 -6.575 1.072 1.00 13.73 C ATOM 1003 CG LYS A 63 14.159 -7.101 2.179 1.00 16.98 C ATOM 1004 CD LYS A 63 15.511 -7.589 1.639 1.00 20.19 C ATOM 1005 CE LYS A 63 16.422 -8.029 2.766 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.968 -9.373 3.078 1.00 25.97 N ATOM 0 H LYS A 63 13.761 -4.265 1.917 1.00 11.73 H new ATOM 0 HA LYS A 63 11.474 -5.370 0.817 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.750 -7.414 0.580 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.841 -6.069 0.315 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.327 -6.312 2.912 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.662 -7.920 2.700 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.353 -8.419 0.950 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.989 -6.790 1.072 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.468 -8.022 2.460 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.338 -7.368 3.629 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.814 -9.458 4.103 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.077 -9.563 2.577 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.688 -10.061 2.777 1.00 25.97 H new ATOM 1020 N GLU A 64 10.329 -7.077 2.501 1.00 10.04 N ATOM 1021 CA GLU A 64 9.491 -7.798 3.419 1.00 10.94 C ATOM 1022 C GLU A 64 8.967 -7.020 4.608 1.00 9.74 C ATOM 1023 O GLU A 64 8.731 -7.505 5.701 1.00 9.42 O ATOM 1024 CB GLU A 64 10.272 -9.103 3.880 1.00 18.31 C ATOM 1025 CG GLU A 64 10.805 -9.898 2.643 1.00 24.16 C ATOM 1026 CD GLU A 64 11.659 -11.070 3.058 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.114 -11.080 4.234 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.938 -11.998 2.265 1.00 31.72 O ATOM 0 H GLU A 64 10.032 -7.217 1.535 1.00 10.04 H new ATOM 0 HA GLU A 64 8.579 -8.041 2.873 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.105 -8.825 4.525 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.611 -9.739 4.469 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.963 -10.254 2.049 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.386 -9.232 2.005 1.00 24.16 H new ATOM 1035 N SER A 65 8.706 -5.725 4.374 1.00 6.85 N ATOM 1036 CA SER A 65 8.138 -4.837 5.369 1.00 6.90 C ATOM 1037 C SER A 65 6.617 -4.936 5.188 1.00 4.72 C ATOM 1038 O SER A 65 6.145 -5.325 4.155 1.00 3.91 O ATOM 1039 CB SER A 65 8.599 -3.347 5.202 1.00 7.28 C ATOM 1040 OG SER A 65 8.417 -2.520 6.364 1.00 10.56 O ATOM 0 H SER A 65 8.889 -5.272 3.478 1.00 6.85 H new ATOM 0 HA SER A 65 8.471 -5.135 6.363 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.654 -3.338 4.930 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.051 -2.904 4.370 1.00 7.28 H new ATOM 0 HG SER A 65 8.731 -1.612 6.172 1.00 10.56 H new ATOM 1046 N THR A 66 5.829 -4.614 6.267 1.00 4.48 N ATOM 1047 CA THR A 66 4.404 -4.756 6.314 1.00 3.80 C ATOM 1048 C THR A 66 3.741 -3.457 6.180 1.00 4.60 C ATOM 1049 O THR A 66 4.054 -2.549 6.932 1.00 5.33 O ATOM 1050 CB THR A 66 3.879 -5.352 7.654 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.457 -6.637 7.736 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.341 -5.525 7.655 1.00 3.40 C ATOM 0 H THR A 66 6.218 -4.241 7.133 1.00 4.48 H new ATOM 0 HA THR A 66 4.175 -5.432 5.490 1.00 3.80 H new ATOM 0 HB THR A 66 4.134 -4.691 8.482 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.168 -7.073 8.564 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.023 -5.943 8.610 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.866 -4.555 7.507 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.050 -6.198 6.849 1.00 3.40 H new ATOM 1060 N LEU A 67 2.751 -3.333 5.254 1.00 4.17 N ATOM 1061 CA LEU A 67 2.022 -2.072 5.083 1.00 3.85 C ATOM 1062 C LEU A 67 0.628 -2.349 5.696 1.00 3.80 C ATOM 1063 O LEU A 67 0.056 -3.455 5.502 1.00 5.54 O ATOM 1064 CB LEU A 67 1.977 -1.492 3.646 1.00 7.18 C ATOM 1065 CG LEU A 67 3.241 -1.371 2.855 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.079 -0.707 1.465 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.380 -0.623 3.534 1.00 11.66 C ATOM 0 H LEU A 67 2.453 -4.083 4.631 1.00 4.17 H new ATOM 0 HA LEU A 67 2.549 -1.262 5.588 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.289 -2.108 3.068 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.537 -0.497 3.710 1.00 7.18 H new ATOM 0 HG LEU A 67 3.494 -2.427 2.758 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.048 -0.664 0.967 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.386 -1.293 0.861 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.689 0.303 1.588 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.244 -0.597 2.871 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.064 0.396 3.759 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.649 -1.132 4.460 1.00 11.66 H new ATOM 1079 N HIS A 68 0.091 -1.376 6.450 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.220 -1.550 7.013 1.00 4.17 C ATOM 1081 C HIS A 68 -2.254 -0.836 6.118 1.00 5.32 C ATOM 1082 O HIS A 68 -2.166 0.340 5.800 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.366 -0.974 8.458 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.445 -1.625 9.392 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.798 -1.098 9.718 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.565 -2.780 10.070 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.347 -2.015 10.595 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.550 -3.042 10.806 1.00 16.30 N ATOM 0 H HIS A 68 0.545 -0.489 6.669 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.388 -2.626 7.066 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.173 0.099 8.444 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.391 -1.109 8.803 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.435 -3.419 10.035 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.318 -1.902 11.054 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.729 -3.857 11.393 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.333 -1.538 5.756 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.250 -1.127 4.713 1.00 3.97 C ATOM 1098 C LEU A 69 -5.570 -0.847 5.328 1.00 5.07 C ATOM 1099 O LEU A 69 -6.105 -1.627 6.178 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.406 -2.257 3.664 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.539 -2.224 2.599 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.437 -1.126 1.535 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.618 -3.555 1.814 1.00 9.96 C ATOM 0 H LEU A 69 -3.589 -2.423 6.194 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.863 -0.236 4.218 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.463 -2.319 3.122 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.517 -3.190 4.217 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.420 -2.029 3.211 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.281 -1.204 0.850 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.451 -0.149 2.018 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.507 -1.243 0.979 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.420 -3.497 1.079 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.671 -3.734 1.305 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.818 -4.374 2.505 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.149 0.334 4.956 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.405 0.744 5.623 1.00 6.26 C ATOM 1117 C VAL A 70 -8.296 1.272 4.471 1.00 9.22 C ATOM 1118 O VAL A 70 -7.872 1.931 3.567 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.131 1.857 6.627 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.434 2.098 7.449 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.987 1.442 7.536 1.00 8.54 C ATOM 0 H VAL A 70 -5.791 0.974 4.247 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.871 -0.073 6.174 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.846 2.779 6.120 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.264 2.892 8.176 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.240 2.389 6.776 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.710 1.181 7.970 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.788 2.236 8.256 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.257 0.530 8.068 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.094 1.262 6.938 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.559 0.984 4.589 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.417 1.271 3.422 1.00 16.06 C ATOM 1133 C LEU A 71 -11.575 2.155 3.785 1.00 18.09 C ATOM 1134 O LEU A 71 -12.365 1.963 4.700 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.125 -0.068 2.922 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.159 -1.200 2.667 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.974 -2.397 2.238 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.179 -0.736 1.568 1.00 19.57 C ATOM 0 H LEU A 71 -10.016 0.580 5.407 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.763 1.730 2.681 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.855 -0.384 3.668 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.676 0.142 2.006 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.579 -1.475 3.548 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.309 -3.239 2.044 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.675 -2.663 3.030 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.527 -2.154 1.331 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.465 -1.532 1.358 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.735 -0.499 0.661 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.644 0.151 1.908 1.00 19.57 H new